# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/13f6e903-a853-400d-a0dd-31b6a767967c/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 SrTiSi2O7 / Cmcm (63) / materials id 559208](https://mdr.nims.go.jp/datasets/d14795c6-1eab-4243-b81d-8e21a486835b)

## 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: "Cmcm"  number: 63  Hall_symbol: "-C 2c 2"primitive_matrix:- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [ -0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [  0.000000000000000,  0.000000000000000,  1.000000000000000 ]supercell_matrix:- [   2,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     2.677943430000000,    -7.215964365000000,     0.000000000000000 ] # a  - [     2.677943430000000,     7.215964365000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     7.086427670000000 ] # c  points:  - symbol: Sr # 1    coordinates: [  0.302282160000000,  0.697717840000000,  0.750000000000000 ]    mass: 87.620000  - symbol: Sr # 2    coordinates: [  0.697717840000000,  0.302282160000000,  0.250000000000000 ]    mass: 87.620000  - symbol: Ti # 3    coordinates: [  0.390660630000000,  0.609339370000000,  0.250000000000000 ]    mass: 47.867000  - symbol: Ti # 4    coordinates: [  0.609339370000000,  0.390660630000000,  0.750000000000000 ]    mass: 47.867000  - symbol: Si # 5    coordinates: [  0.109879140000000,  0.890120860000000,  0.024523040000000 ]    mass: 28.085500  - symbol: Si # 6    coordinates: [  0.109879140000000,  0.890120860000000,  0.475476960000000 ]    mass: 28.085500  - symbol: Si # 7    coordinates: [  0.890120860000000,  0.109879140000000,  0.524523040000000 ]    mass: 28.085500  - symbol: Si # 8    coordinates: [  0.890120860000000,  0.109879140000000,  0.975476960000000 ]    mass: 28.085500  - symbol: O  # 9    coordinates: [  0.859066990000000,  0.140933010000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.507039270000000,  0.492960730000000,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.593337190000000,  0.903440470000000,  0.437203540000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.593337190000000,  0.903440470000000,  0.062796460000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.903440470000000,  0.593337190000000,  0.562796460000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.140933010000000,  0.859066990000000,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.406662810000000,  0.096559530000000,  0.562796460000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.096559530000000,  0.406662810000000,  0.437203540000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.406662810000000,  0.096559530000000,  0.937203540000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.096559530000000,  0.406662810000000,  0.062796460000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.492960730000000,  0.507039270000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.903440470000000,  0.593337190000000,  0.937203540000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.186710441452454,    -0.069290807812907,     0.000000000000000 ] # a*  - [     0.186710441452454,     0.069290807812907,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.141114824925603 ] # c*unit_cell:  lattice:  - [     5.355886860000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    14.431928729999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     7.086427670000000 ] # c  points:  - symbol: Sr # 1    coordinates: [  0.000000000000000,  0.697717840000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 2    coordinates: [  0.500000000000000,  0.802282160000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 2  - symbol: Sr # 3    coordinates: [  0.500000000000000,  0.197717840000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 4    coordinates: [  0.000000000000000,  0.302282160000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 2  - symbol: Ti # 5    coordinates: [  0.000000000000000,  0.609339370000000,  0.250000000000000 ]    mass: 47.867000    reduced_to: 5  - symbol: Ti # 6    coordinates: [  0.500000000000000,  0.890660630000000,  0.750000000000000 ]    mass: 47.867000    reduced_to: 6  - symbol: Ti # 7    coordinates: [  0.500000000000000,  0.109339370000000,  0.250000000000000 ]    mass: 47.867000    reduced_to: 5  - symbol: Ti # 8    coordinates: [  0.000000000000000,  0.390660630000000,  0.750000000000000 ]    mass: 47.867000    reduced_to: 6  - symbol: Si # 9    coordinates: [  0.000000000000000,  0.890120860000000,  0.024523040000000 ]    mass: 28.085500    reduced_to: 9  - symbol: Si # 10    coordinates: [  0.000000000000000,  0.890120860000000,  0.475476960000000 ]    mass: 28.085500    reduced_to: 10  - symbol: Si # 11    coordinates: [  0.500000000000000,  0.609879140000000,  0.524523040000000 ]    mass: 28.085500    reduced_to: 11  - symbol: Si # 12    coordinates: [  0.500000000000000,  0.609879140000000,  0.975476960000000 ]    mass: 28.085500    reduced_to: 12  - symbol: Si # 13    coordinates: [  0.500000000000000,  0.390120860000000,  0.024523040000000 ]    mass: 28.085500    reduced_to: 9  - symbol: Si # 14    coordinates: [  0.500000000000000,  0.390120860000000,  0.475476960000000 ]    mass: 28.085500    reduced_to: 10  - symbol: Si # 15    coordinates: [  0.000000000000000,  0.109879140000000,  0.524523040000000 ]    mass: 28.085500    reduced_to: 11  - symbol: Si # 16    coordinates: [  0.000000000000000,  0.109879140000000,  0.975476960000000 ]    mass: 28.085500    reduced_to: 12  - symbol: O  # 17    coordinates: [  0.500000000000000,  0.640933010000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.500000000000000,  0.992960730000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.248388830000000,  0.655051640000000,  0.437203540000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.248388830000000,  0.655051640000000,  0.062796460000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.748388830000000,  0.844948360000000,  0.562796460000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.000000000000000,  0.859066990000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.251611170000000,  0.844948360000000,  0.562796460000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.751611170000000,  0.655051640000000,  0.437203540000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.251611170000000,  0.844948360000000,  0.937203540000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.751611170000000,  0.655051640000000,  0.062796460000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.000000000000000,  0.507039270000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.748388830000000,  0.844948360000000,  0.937203540000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.000000000000000,  0.140933010000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 32    coordinates: [  0.000000000000000,  0.492960730000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 33    coordinates: [  0.748388830000000,  0.155051640000000,  0.437203540000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 34    coordinates: [  0.748388830000000,  0.155051640000000,  0.062796460000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 35    coordinates: [  0.248388830000000,  0.344948360000000,  0.562796460000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 36    coordinates: [  0.500000000000000,  0.359066990000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 37    coordinates: [  0.751611170000000,  0.344948360000000,  0.562796460000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 38    coordinates: [  0.251611170000000,  0.155051640000000,  0.437203540000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 39    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 40    coordinates: [  0.751611170000000,  0.344948360000000,  0.937203540000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 41    coordinates: [  0.251611170000000,  0.155051640000000,  0.062796460000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 42    coordinates: [  0.500000000000000,  0.007039270000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 43    coordinates: [  0.248388830000000,  0.344948360000000,  0.937203540000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 44    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 30supercell:  lattice:  - [    10.711773720000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    14.431928729999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     7.086427670000000 ] # c  points:  - symbol: Sr # 1    coordinates: [  0.000000000000000,  0.697717840000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 2    coordinates: [  0.500000000000000,  0.697717840000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 3    coordinates: [  0.250000000000000,  0.802282160000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 3  - symbol: Sr # 4    coordinates: [  0.750000000000000,  0.802282160000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 3  - symbol: Sr # 5    coordinates: [  0.250000000000000,  0.197717840000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 6    coordinates: [  0.750000000000000,  0.197717840000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 7    coordinates: [  0.000000000000000,  0.302282160000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 3  - symbol: Sr # 8    coordinates: [  0.500000000000000,  0.302282160000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 3  - symbol: Ti # 9    coordinates: [  0.000000000000000,  0.609339370000000,  0.250000000000000 ]    mass: 47.867000    reduced_to: 9  - symbol: Ti # 10    coordinates: [  0.500000000000000,  0.609339370000000,  0.250000000000000 ]    mass: 47.867000    reduced_to: 9  - symbol: Ti # 11    coordinates: [  0.250000000000000,  0.890660630000000,  0.750000000000000 ]    mass: 47.867000    reduced_to: 11  - symbol: Ti # 12    coordinates: [  0.750000000000000,  0.890660630000000,  0.750000000000000 ]    mass: 47.867000    reduced_to: 11  - symbol: Ti # 13    coordinates: [  0.250000000000000,  0.109339370000000,  0.250000000000000 ]    mass: 47.867000    reduced_to: 9  - symbol: Ti # 14    coordinates: [  0.750000000000000,  0.109339370000000,  0.250000000000000 ]    mass: 47.867000    reduced_to: 9  - symbol: Ti # 15    coordinates: [  0.000000000000000,  0.390660630000000,  0.750000000000000 ]    mass: 47.867000    reduced_to: 11  - symbol: Ti # 16    coordinates: [  0.500000000000000,  0.390660630000000,  0.750000000000000 ]    mass: 47.867000    reduced_to: 11  - symbol: Si # 17    coordinates: [  0.000000000000000,  0.890120860000000,  0.024523040000000 ]    mass: 28.085500    reduced_to: 17  - symbol: Si # 18    coordinates: [  0.500000000000000,  0.890120860000000,  0.024523040000000 ]    mass: 28.085500    reduced_to: 17  - symbol: Si # 19    coordinates: [  0.000000000000000,  0.890120860000000,  0.475476960000000 ]    mass: 28.085500    reduced_to: 19  - symbol: Si # 20    coordinates: [  0.500000000000000,  0.890120860000000,  0.475476960000000 ]    mass: 28.085500    reduced_to: 19  - symbol: Si # 21    coordinates: [  0.250000000000000,  0.609879140000000,  0.524523040000000 ]    mass: 28.085500    reduced_to: 21  - symbol: Si # 22    coordinates: [  0.750000000000000,  0.609879140000000,  0.524523040000000 ]    mass: 28.085500    reduced_to: 21  - symbol: Si # 23    coordinates: [  0.250000000000000,  0.609879140000000,  0.975476960000000 ]    mass: 28.085500    reduced_to: 23  - symbol: Si # 24    coordinates: [  0.750000000000000,  0.609879140000000,  0.975476960000000 ]    mass: 28.085500    reduced_to: 23  - symbol: Si # 25    coordinates: [  0.250000000000000,  0.390120860000000,  0.024523040000000 ]    mass: 28.085500    reduced_to: 17  - symbol: Si # 26    coordinates: [  0.750000000000000,  0.390120860000000,  0.024523040000000 ]    mass: 28.085500    reduced_to: 17  - symbol: Si # 27    coordinates: [  0.250000000000000,  0.390120860000000,  0.475476960000000 ]    mass: 28.085500    reduced_to: 19  - symbol: Si # 28    coordinates: [  0.750000000000000,  0.390120860000000,  0.475476960000000 ]    mass: 28.085500    reduced_to: 19  - symbol: Si # 29    coordinates: [  0.000000000000000,  0.109879140000000,  0.524523040000000 ]    mass: 28.085500    reduced_to: 21  - symbol: Si # 30    coordinates: [  0.500000000000000,  0.109879140000000,  0.524523040000000 ]    mass: 28.085500    reduced_to: 21  - symbol: Si # 31    coordinates: [  0.000000000000000,  0.109879140000000,  0.975476960000000 ]    mass: 28.085500    reduced_to: 23  - symbol: Si # 32    coordinates: [  0.500000000000000,  0.109879140000000,  0.975476960000000 ]    mass: 28.085500    reduced_to: 23  - symbol: O  # 33    coordinates: [  0.250000000000000,  0.640933010000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.750000000000000,  0.640933010000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 35    coordinates: [  0.250000000000000,  0.992960730000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.750000000000000,  0.992960730000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 37    coordinates: [  0.124194415000000,  0.655051640000000,  0.437203540000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.624194415000000,  0.655051640000000,  0.437203540000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 39    coordinates: [  0.124194415000000,  0.655051640000000,  0.062796460000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.624194415000000,  0.655051640000000,  0.062796460000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 41    coordinates: [  0.374194415000000,  0.844948360000000,  0.562796460000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.874194415000000,  0.844948360000000,  0.562796460000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 43    coordinates: [  0.000000000000000,  0.859066990000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.500000000000000,  0.859066990000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 45    coordinates: [  0.125805585000000,  0.844948360000000,  0.562796460000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.625805585000000,  0.844948360000000,  0.562796460000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 47    coordinates: [  0.375805585000000,  0.655051640000000,  0.437203540000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 48    coordinates: [  0.875805585000000,  0.655051640000000,  0.437203540000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 49    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 51    coordinates: [  0.125805585000000,  0.844948360000000,  0.937203540000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 52    coordinates: [  0.625805585000000,  0.844948360000000,  0.937203540000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 53    coordinates: [  0.375805585000000,  0.655051640000000,  0.062796460000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 54    coordinates: [  0.875805585000000,  0.655051640000000,  0.062796460000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 55    coordinates: [  0.000000000000000,  0.507039270000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.500000000000000,  0.507039270000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 57    coordinates: [  0.374194415000000,  0.844948360000000,  0.937203540000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 58    coordinates: [  0.874194415000000,  0.844948360000000,  0.937203540000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 59    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 59  - symbol: O  # 60    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 59  - symbol: O  # 61    coordinates: [  0.000000000000000,  0.140933010000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 62    coordinates: [  0.500000000000000,  0.140933010000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 63    coordinates: [  0.000000000000000,  0.492960730000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 64    coordinates: [  0.500000000000000,  0.492960730000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 65    coordinates: [  0.374194415000000,  0.155051640000000,  0.437203540000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 66    coordinates: [  0.874194415000000,  0.155051640000000,  0.437203540000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 67    coordinates: [  0.374194415000000,  0.155051640000000,  0.062796460000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 68    coordinates: [  0.874194415000000,  0.155051640000000,  0.062796460000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 69    coordinates: [  0.124194415000000,  0.344948360000000,  0.562796460000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 70    coordinates: [  0.624194415000000,  0.344948360000000,  0.562796460000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 71    coordinates: [  0.250000000000000,  0.359066990000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 72    coordinates: [  0.750000000000000,  0.359066990000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 73    coordinates: [  0.375805585000000,  0.344948360000000,  0.562796460000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 74    coordinates: [  0.875805585000000,  0.344948360000000,  0.562796460000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 75    coordinates: [  0.125805585000000,  0.155051640000000,  0.437203540000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 76    coordinates: [  0.625805585000000,  0.155051640000000,  0.437203540000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 77    coordinates: [  0.250000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 78    coordinates: [  0.750000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 79    coordinates: [  0.375805585000000,  0.344948360000000,  0.937203540000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 80    coordinates: [  0.875805585000000,  0.344948360000000,  0.937203540000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 81    coordinates: [  0.125805585000000,  0.155051640000000,  0.062796460000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 82    coordinates: [  0.625805585000000,  0.155051640000000,  0.062796460000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 83    coordinates: [  0.250000000000000,  0.007039270000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 84    coordinates: [  0.750000000000000,  0.007039270000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 85    coordinates: [  0.124194415000000,  0.344948360000000,  0.937203540000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 86    coordinates: [  0.624194415000000,  0.344948360000000,  0.937203540000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 87    coordinates: [  0.250000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 59  - symbol: O  # 88    coordinates: [  0.750000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 59displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0547780600000000,  0.0001011600000000,  0.0000000000000000 ]  - [   0.0085307500000000, -0.0001251300000000,  0.0000000000000000 ]  - [   0.0022451700000000,  0.0026211100000000,  0.0000000000000000 ]  - [   0.0022580100000000, -0.0023514300000000,  0.0000000000000000 ]  - [   0.0000103700000000,  0.0002408500000000,  0.0000000000000000 ]  - [   0.0000157400000000, -0.0004993100000000,  0.0000000000000000 ]  - [  -0.0011020000000000,  0.0001315000000000,  0.0000000000000000 ]  - [   0.0010767600000000,  0.0001238800000000,  0.0000000000000000 ]  - [  -0.0243021700000000,  0.0000555100000000,  0.0000000000000000 ]  - [   0.0091698500000000,  0.0000265500000000,  0.0000000000000000 ]  - [   0.0067063000000000,  0.0075411600000000,  0.0000000000000000 ]  - [   0.0067299400000000, -0.0075615300000000,  0.0000000000000000 ]  - [  -0.0000067500000000,  0.0011246400000000,  0.0000000000000000 ]  - [  -0.0000019600000000, -0.0010422900000000,  0.0000000000000000 ]  - [  -0.0025282800000000, -0.0000105000000000,  0.0000000000000000 ]  - [   0.0025060500000000, -0.0000527900000000,  0.0000000000000000 ]  - [  -0.0136310700000000, -0.0000242400000000,  0.0001737100000000 ]  - [   0.0046865100000000,  0.0000115200000000,  0.0001921300000000 ]  - [  -0.0136310700000000, -0.0000242400000000, -0.0001737100000000 ]  - [   0.0046865100000000,  0.0000115200000000, -0.0001921300000000 ]  - [   0.0124695600000000, -0.0087647400000000, -0.0157071000000000 ]  - [   0.0123928500000000,  0.0086431600000000,  0.0159119900000000 ]  - [   0.0124695600000000, -0.0087647400000000,  0.0157071000000000 ]  - [   0.0123928500000000,  0.0086431600000000, -0.0159119900000000 ]  - [   0.0000167800000000, -0.0040061600000000, -0.0000089000000000 ]  - [   0.0000325900000000,  0.0039964900000000,  0.0003868300000000 ]  - [   0.0000167800000000, -0.0040061600000000,  0.0000089000000000 ]  - [   0.0000325900000000,  0.0039964900000000, -0.0003868300000000 ]  - [  -0.0012593200000000, -0.0000077400000000,  0.0001912000000000 ]  - [   0.0013128900000000, -0.0000035500000000,  0.0001902900000000 ]  - [  -0.0012593200000000, -0.0000077400000000, -0.0001912000000000 ]  - [   0.0013128900000000, -0.0000035500000000, -0.0001902900000000 ]  - [  -0.0050365300000000,  0.0032827000000000,  0.0000000000000000 ]  - [  -0.0053509000000000, -0.0032092400000000,  0.0000000000000000 ]  - [  -0.0001436400000000, -0.0015014300000000,  0.0000000000000000 ]  - [  -0.0001473700000000,  0.0012513100000000,  0.0000000000000000 ]  - [   0.0089158500000000,  0.0014574800000000,  0.0043952600000000 ]  - [  -0.0055633300000000, -0.0002650000000000, -0.0035117600000000 ]  - [   0.0089158500000000,  0.0014574800000000, -0.0043952600000000 ]  - [  -0.0055633300000000, -0.0002650000000000,  0.0035117600000000 ]  - [  -0.0032257600000000, -0.0006986500000000,  0.0010304500000000 ]  - [   0.0044345100000000,  0.0039597200000000, -0.0020429800000000 ]  - [   0.0043554000000000, -0.0000774300000000,  0.0000000000000000 ]  - [  -0.0019524900000000, -0.0000799800000000,  0.0000000000000000 ]  - [   0.0043994300000000, -0.0040533100000000,  0.0021849600000000 ]  - [  -0.0033502100000000,  0.0005318900000000, -0.0008611500000000 ]  - [  -0.0056764700000000,  0.0004237500000000,  0.0033549800000000 ]  - [   0.0086551900000000, -0.0013436000000000, -0.0046388000000000 ]  - [   0.0022804600000000,  0.0000021100000000, -0.0000007600000000 ]  - [  -0.0009994700000000, -0.0000043400000000, -0.0000000600000000 ]  - [   0.0043994300000000, -0.0040533100000000, -0.0021849600000000 ]  - [  -0.0033502100000000,  0.0005318900000000,  0.0008611500000000 ]  - [  -0.0056764700000000,  0.0004237500000000, -0.0033549800000000 ]  - [   0.0086551900000000, -0.0013436000000000,  0.0046388000000000 ]  - [   0.0048401600000000,  0.0000914800000000,  0.0000000000000000 ]  - [  -0.0018984200000000,  0.0001283900000000,  0.0000000000000000 ]  - [  -0.0032257600000000, -0.0006986500000000, -0.0010304500000000 ]  - [   0.0044345100000000,  0.0039597200000000,  0.0020429800000000 ]  - [   0.0022804600000000,  0.0000021100000000,  0.0000007600000000 ]  - [  -0.0009994700000000, -0.0000043400000000,  0.0000000600000000 ]  - [   0.0006246200000000,  0.0000762300000000,  0.0000000000000000 ]  - [  -0.0006140800000000,  0.0000755600000000,  0.0000000000000000 ]  - [   0.0015254400000000, -0.0001390100000000,  0.0000000000000000 ]  - [  -0.0009583500000000, -0.0001047700000000,  0.0000000000000000 ]  - [  -0.0005578200000000,  0.0000520200000000, -0.0002012100000000 ]  - [   0.0007145400000000,  0.0000572100000000,  0.0000452500000000 ]  - [  -0.0005578200000000,  0.0000520200000000,  0.0002012100000000 ]  - [   0.0007145400000000,  0.0000572100000000, -0.0000452500000000 ]  - [   0.0010347200000000,  0.0005213000000000, -0.0002409600000000 ]  - [  -0.0009883900000000, -0.0006922600000000,  0.0004716800000000 ]  - [  -0.0000078100000000,  0.0010767600000000,  0.0000000000000000 ]  - [  -0.0000129900000000, -0.0012242800000000,  0.0000000000000000 ]  - [  -0.0011060300000000,  0.0005461900000000, -0.0002999500000000 ]  - [   0.0008956500000000, -0.0006760100000000,  0.0003981400000000 ]  - [   0.0005944400000000,  0.0000945800000000, -0.0002155100000000 ]  - [  -0.0006812000000000,  0.0001001400000000,  0.0000326500000000 ]  - [  -0.0007174400000000,  0.0051142800000000, -0.0015395200000000 ]  - [  -0.0007234700000000, -0.0050842800000000,  0.0015252000000000 ]  - [  -0.0011060300000000,  0.0005461900000000,  0.0002999500000000 ]  - [   0.0008956500000000, -0.0006760100000000, -0.0003981400000000 ]  - [   0.0005944400000000,  0.0000945800000000,  0.0002155100000000 ]  - [  -0.0006812000000000,  0.0001001400000000, -0.0000326500000000 ]  - [  -0.0002312700000000, -0.0025899800000000,  0.0000000000000000 ]  - [  -0.0002334900000000,  0.0028443600000000,  0.0000000000000000 ]  - [   0.0010347200000000,  0.0005213000000000,  0.0002409600000000 ]  - [  -0.0009883900000000, -0.0006922600000000, -0.0004716800000000 ]  - [  -0.0007174400000000,  0.0051142800000000,  0.0015395200000000 ]  - [  -0.0007234700000000, -0.0050842800000000, -0.0015252000000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000, -0.0408613600000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0051790200000000,  0.0000000000000000 ]  - [   0.0024861300000000, -0.0058384200000000,  0.0000000000000000 ]  - [  -0.0024861300000000, -0.0058384200000000,  0.0000000000000000 ]  - [  -0.0003677100000000,  0.0046825800000000,  0.0000000000000000 ]  - [   0.0003677100000000,  0.0046825800000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0044583100000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0029638500000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0032822700000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0015018500000000,  0.0000000000000000 ]  - [   0.0130641400000000,  0.0055317500000000,  0.0000000000000000 ]  - [  -0.0130641400000000,  0.0055317500000000,  0.0000000000000000 ]  - [   0.0004342200000000,  0.0040634600000000,  0.0000000000000000 ]  - [  -0.0004342200000000,  0.0040634600000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0171105700000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0011055100000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0136623300000000,  0.0114276700000000 ]  - [   0.0000000000000000,  0.0011855000000000,  0.0017475700000000 ]  - [   0.0000000000000000,  0.0136623300000000, -0.0114276700000000 ]  - [   0.0000000000000000,  0.0011855000000000, -0.0017475700000000 ]  - [  -0.0088687400000000, -0.0020601800000000,  0.0052481800000000 ]  - [   0.0088687400000000, -0.0020601800000000,  0.0052481800000000 ]  - [  -0.0088687400000000, -0.0020601800000000, -0.0052481800000000 ]  - [   0.0088687400000000, -0.0020601800000000, -0.0052481800000000 ]  - [  -0.0031141500000000,  0.0019179700000000, -0.0007591800000000 ]  - [   0.0031141500000000,  0.0019179700000000, -0.0007591800000000 ]  - [  -0.0031141500000000,  0.0019179700000000,  0.0007591800000000 ]  - [   0.0031141500000000,  0.0019179700000000,  0.0007591800000000 ]  - [   0.0000000000000000,  0.0067262400000000,  0.0001364300000000 ]  - [   0.0000000000000000,  0.0029006500000000,  0.0000164500000000 ]  - [   0.0000000000000000,  0.0067262400000000, -0.0001364300000000 ]  - [   0.0000000000000000,  0.0029006500000000, -0.0000164500000000 ]  - [   0.0033896600000000,  0.0041141200000000,  0.0000000000000000 ]  - [  -0.0033896600000000,  0.0041141200000000,  0.0000000000000000 ]  - [  -0.0006708400000000, -0.0029857100000000,  0.0000000000000000 ]  - [   0.0006708400000000, -0.0029857100000000,  0.0000000000000000 ]  - [   0.0008883500000000,  0.0062476300000000,  0.0000516800000000 ]  - [  -0.0016244700000000,  0.0020529100000000, -0.0007745700000000 ]  - [   0.0008883500000000,  0.0062476300000000, -0.0000516800000000 ]  - [  -0.0016244700000000,  0.0020529100000000,  0.0007745700000000 ]  - [  -0.0025799900000000,  0.0014787300000000,  0.0015005000000000 ]  - [   0.0056128800000000, -0.0016490300000000,  0.0021307700000000 ]  - [   0.0000000000000000,  0.0003287900000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0002436800000000,  0.0000000000000000 ]  - [  -0.0056128800000000, -0.0016490300000000,  0.0021307700000000 ]  - [   0.0025799900000000,  0.0014787300000000,  0.0015005000000000 ]  - [   0.0016244700000000,  0.0020529100000000, -0.0007745700000000 ]  - [  -0.0008883500000000,  0.0062476300000000,  0.0000516800000000 ]  - [   0.0000000000000000, -0.0067260800000000, -0.0003387600000000 ]  - [   0.0000000000000000, -0.0018451600000000, -0.0002525800000000 ]  - [  -0.0056128800000000, -0.0016490300000000, -0.0021307700000000 ]  - [   0.0025799900000000,  0.0014787300000000, -0.0015005000000000 ]  - [   0.0016244700000000,  0.0020529100000000,  0.0007745700000000 ]  - [  -0.0008883500000000,  0.0062476300000000, -0.0000516800000000 ]  - [   0.0000000000000000, -0.0106886300000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0000102900000000,  0.0000000000000000 ]  - [  -0.0025799900000000,  0.0014787300000000, -0.0015005000000000 ]  - [   0.0056128800000000, -0.0016490300000000, -0.0021307700000000 ]  - [   0.0000000000000000, -0.0067260800000000,  0.0003387600000000 ]  - [   0.0000000000000000, -0.0018451600000000,  0.0002525800000000 ]  - [   0.0000000000000000, -0.0025378300000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0012758800000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0002226100000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0002339000000000,  0.0000000000000000 ]  - [  -0.0002098900000000, -0.0014942300000000, -0.0003050400000000 ]  - [   0.0002424300000000, -0.0024919900000000, -0.0001496100000000 ]  - [  -0.0002098900000000, -0.0014942300000000,  0.0003050400000000 ]  - [   0.0002424300000000, -0.0024919900000000,  0.0001496100000000 ]  - [   0.0033799500000000, -0.0024208400000000, -0.0024976300000000 ]  - [  -0.0010156500000000, -0.0013446000000000,  0.0001893500000000 ]  - [   0.0009528800000000, -0.0011476100000000,  0.0000000000000000 ]  - [  -0.0009528800000000, -0.0011476100000000,  0.0000000000000000 ]  - [   0.0010156500000000, -0.0013446000000000,  0.0001893500000000 ]  - [  -0.0033799500000000, -0.0024208400000000, -0.0024976300000000 ]  - [  -0.0002424300000000, -0.0024919900000000, -0.0001496100000000 ]  - [   0.0002098900000000, -0.0014942300000000, -0.0003050400000000 ]  - [   0.0014406600000000, -0.0004405900000000,  0.0007899100000000 ]  - [  -0.0014406600000000, -0.0004405900000000,  0.0007899100000000 ]  - [   0.0010156500000000, -0.0013446000000000, -0.0001893500000000 ]  - [  -0.0033799500000000, -0.0024208400000000,  0.0024976300000000 ]  - [  -0.0002424300000000, -0.0024919900000000,  0.0001496100000000 ]  - [   0.0002098900000000, -0.0014942300000000,  0.0003050400000000 ]  - [  -0.0006510400000000, -0.0043679400000000,  0.0000000000000000 ]  - [   0.0006510400000000, -0.0043679400000000,  0.0000000000000000 ]  - [   0.0033799500000000, -0.0024208400000000,  0.0024976300000000 ]  - [  -0.0010156500000000, -0.0013446000000000, -0.0001893500000000 ]  - [   0.0014406600000000, -0.0004405900000000, -0.0007899100000000 ]  - [  -0.0014406600000000, -0.0004405900000000, -0.0007899100000000 ]- atom:    1  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000,  0.0401871400000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0049020700000000,  0.0000000000000000 ]  - [  -0.0024856500000000,  0.0060536600000000,  0.0000000000000000 ]  - [   0.0024856500000000,  0.0060536600000000,  0.0000000000000000 ]  - [   0.0003739500000000, -0.0049358200000000,  0.0000000000000000 ]  - [  -0.0003739500000000, -0.0049358200000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0041927400000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0026992400000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0034714500000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0015744100000000,  0.0000000000000000 ]  - [  -0.0129964400000000, -0.0055909800000000,  0.0000000000000000 ]  - [   0.0129964400000000, -0.0055909800000000,  0.0000000000000000 ]  - [  -0.0004256600000000, -0.0039851800000000,  0.0000000000000000 ]  - [   0.0004256600000000, -0.0039851800000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0173519900000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0011727900000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0135281000000000, -0.0108887900000000 ]  - [   0.0000000000000000, -0.0011755800000000, -0.0013572900000000 ]  - [   0.0000000000000000, -0.0135281000000000,  0.0108887900000000 ]  - [   0.0000000000000000, -0.0011755800000000,  0.0013572900000000 ]  - [   0.0088415800000000,  0.0021314700000000, -0.0048643800000000 ]  - [  -0.0088415800000000,  0.0021314700000000, -0.0048643800000000 ]  - [   0.0088415800000000,  0.0021314700000000,  0.0048643800000000 ]  - [  -0.0088415800000000,  0.0021314700000000,  0.0048643800000000 ]  - [   0.0031381600000000, -0.0018757700000000,  0.0011538200000000 ]  - [  -0.0031381600000000, -0.0018757700000000,  0.0011538200000000 ]  - [   0.0031381600000000, -0.0018757700000000, -0.0011538200000000 ]  - [  -0.0031381600000000, -0.0018757700000000, -0.0011538200000000 ]  - [   0.0000000000000000, -0.0067278600000000,  0.0002445300000000 ]  - [   0.0000000000000000, -0.0029145400000000,  0.0003665800000000 ]  - [   0.0000000000000000, -0.0067278600000000, -0.0002445300000000 ]  - [   0.0000000000000000, -0.0029145400000000, -0.0003665800000000 ]  - [  -0.0033287300000000, -0.0039989300000000,  0.0000000000000000 ]  - [   0.0033287300000000, -0.0039989300000000,  0.0000000000000000 ]  - [   0.0006689300000000,  0.0027405600000000,  0.0000000000000000 ]  - [  -0.0006689300000000,  0.0027405600000000,  0.0000000000000000 ]  - [  -0.0007329200000000, -0.0061139700000000, -0.0002626800000000 ]  - [   0.0017030800000000, -0.0018961400000000,  0.0005809300000000 ]  - [  -0.0007329200000000, -0.0061139700000000,  0.0002626800000000 ]  - [   0.0017030800000000, -0.0018961400000000, -0.0005809300000000 ]  - [   0.0026878000000000, -0.0016217000000000, -0.0013208400000000 ]  - [  -0.0055246800000000,  0.0016405400000000, -0.0020102800000000 ]  - [   0.0000000000000000, -0.0004765500000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0003980400000000,  0.0000000000000000 ]  - [   0.0055246800000000,  0.0016405400000000, -0.0020102800000000 ]  - [  -0.0026878000000000, -0.0016217000000000, -0.0013208400000000 ]  - [  -0.0017030800000000, -0.0018961400000000,  0.0005809300000000 ]  - [   0.0007329200000000, -0.0061139700000000, -0.0002626800000000 ]  - [   0.0000000000000000,  0.0067124300000000,  0.0003331500000000 ]  - [   0.0000000000000000,  0.0018469600000000,  0.0002519100000000 ]  - [   0.0055246800000000,  0.0016405400000000,  0.0020102800000000 ]  - [  -0.0026878000000000, -0.0016217000000000,  0.0013208400000000 ]  - [  -0.0017030800000000, -0.0018961400000000, -0.0005809300000000 ]  - [   0.0007329200000000, -0.0061139700000000,  0.0002626800000000 ]  - [   0.0000000000000000,  0.0105736500000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0002016100000000,  0.0000000000000000 ]  - [   0.0026878000000000, -0.0016217000000000,  0.0013208400000000 ]  - [  -0.0055246800000000,  0.0016405400000000,  0.0020102800000000 ]  - [   0.0000000000000000,  0.0067124300000000, -0.0003331500000000 ]  - [   0.0000000000000000,  0.0018469600000000, -0.0002519100000000 ]  - [   0.0000000000000000,  0.0026893000000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0014287900000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0000994300000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0004638100000000,  0.0000000000000000 ]  - [   0.0003255500000000,  0.0016434700000000,  0.0001310000000000 ]  - [  -0.0001205500000000,  0.0026419900000000, -0.0000218800000000 ]  - [   0.0003255500000000,  0.0016434700000000, -0.0001310000000000 ]  - [  -0.0001205500000000,  0.0026419900000000,  0.0000218800000000 ]  - [  -0.0032884500000000,  0.0022688000000000,  0.0026913000000000 ]  - [   0.0011419800000000,  0.0011876200000000, -0.0000153000000000 ]  - [  -0.0009599100000000,  0.0009828200000000,  0.0000000000000000 ]  - [   0.0009599100000000,  0.0009828200000000,  0.0000000000000000 ]  - [  -0.0011419800000000,  0.0011876200000000, -0.0000153000000000 ]  - [   0.0032884500000000,  0.0022688000000000,  0.0026913000000000 ]  - [   0.0001205500000000,  0.0026419900000000, -0.0000218800000000 ]  - [  -0.0003255500000000,  0.0016434700000000,  0.0001310000000000 ]  - [  -0.0014455600000000,  0.0004021300000000, -0.0007949100000000 ]  - [   0.0014455600000000,  0.0004021300000000, -0.0007949100000000 ]  - [  -0.0011419800000000,  0.0011876200000000,  0.0000153000000000 ]  - [   0.0032884500000000,  0.0022688000000000, -0.0026913000000000 ]  - [   0.0001205500000000,  0.0026419900000000,  0.0000218800000000 ]  - [  -0.0003255500000000,  0.0016434700000000, -0.0001310000000000 ]  - [   0.0006471000000000,  0.0046167600000000,  0.0000000000000000 ]  - [  -0.0006471000000000,  0.0046167600000000,  0.0000000000000000 ]  - [  -0.0032884500000000,  0.0022688000000000, -0.0026913000000000 ]  - [   0.0011419800000000,  0.0011876200000000,  0.0000153000000000 ]  - [  -0.0014455600000000,  0.0004021300000000,  0.0007949100000000 ]  - [   0.0014455600000000,  0.0004021300000000,  0.0007949100000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000378600000000, -0.0521613100000000 ]  - [   0.0000000000000000, -0.0001264200000000, -0.0012929900000000 ]  - [   0.0000149900000000,  0.0001493200000000,  0.0053982200000000 ]  - [  -0.0000149900000000,  0.0001493200000000,  0.0053982200000000 ]  - [  -0.0000013900000000, -0.0001283700000000, -0.0001971800000000 ]  - [   0.0000013900000000, -0.0001283700000000, -0.0001971800000000 ]  - [   0.0000000000000000,  0.0001201400000000,  0.0003337000000000 ]  - [   0.0000000000000000,  0.0001229600000000,  0.0002132800000000 ]  - [   0.0000000000000000, -0.0000268000000000,  0.0348558700000000 ]  - [   0.0000000000000000,  0.0000205200000000,  0.0037965700000000 ]  - [  -0.0000181000000000, -0.0000553000000000, -0.0085674900000000 ]  - [   0.0000181000000000, -0.0000553000000000, -0.0085674900000000 ]  - [  -0.0000002500000000,  0.0000375900000000,  0.0003740900000000 ]  - [   0.0000002500000000,  0.0000375900000000,  0.0003740900000000 ]  - [   0.0000000000000000, -0.0000128200000000, -0.0007974800000000 ]  - [   0.0000000000000000, -0.0000427800000000, -0.0006682800000000 ]  - [   0.0000000000000000,  0.0113395100000000,  0.0076949900000000 ]  - [   0.0000000000000000,  0.0002423000000000,  0.0006510700000000 ]  - [   0.0000000000000000, -0.0112361100000000,  0.0073626600000000 ]  - [   0.0000000000000000, -0.0002234500000000,  0.0002721400000000 ]  - [  -0.0133334200000000,  0.0052793800000000, -0.0033411500000000 ]  - [   0.0133334200000000,  0.0052793800000000, -0.0033411500000000 ]  - [   0.0134105100000000, -0.0053322800000000, -0.0038255800000000 ]  - [  -0.0134105100000000, -0.0053322800000000, -0.0038255800000000 ]  - [   0.0000152200000000, -0.0018129000000000,  0.0006899900000000 ]  - [  -0.0000152200000000, -0.0018129000000000,  0.0006899900000000 ]  - [  -0.0000223600000000,  0.0018072300000000,  0.0003117900000000 ]  - [   0.0000223600000000,  0.0018072300000000,  0.0003117900000000 ]  - [   0.0000000000000000, -0.0014565100000000, -0.0001953300000000 ]  - [   0.0000000000000000, -0.0001098300000000,  0.0001271300000000 ]  - [   0.0000000000000000,  0.0014426400000000, -0.0005795500000000 ]  - [   0.0000000000000000,  0.0000972000000000, -0.0002560700000000 ]  - [   0.0000073100000000,  0.0000731900000000,  0.0082644600000000 ]  - [  -0.0000073100000000,  0.0000731900000000,  0.0082644600000000 ]  - [   0.0000007500000000, -0.0001291100000000, -0.0003877700000000 ]  - [  -0.0000007500000000, -0.0001291100000000, -0.0003877700000000 ]  - [   0.0002740300000000, -0.0015912000000000, -0.0021029100000000 ]  - [  -0.0030686000000000, -0.0001260000000000, -0.0003722800000000 ]  - [   0.0000201300000000,  0.0016259900000000, -0.0015024400000000 ]  - [   0.0031846000000000,  0.0002852800000000, -0.0001749500000000 ]  - [   0.0004295600000000,  0.0003413700000000,  0.0004023600000000 ]  - [  -0.0042191200000000,  0.0044366700000000,  0.0031910100000000 ]  - [   0.0000000000000000, -0.0000983200000000, -0.0058895000000000 ]  - [   0.0000000000000000, -0.0000831600000000, -0.0003926600000000 ]  - [   0.0042191200000000,  0.0044366700000000,  0.0031910100000000 ]  - [  -0.0004295600000000,  0.0003413700000000,  0.0004023600000000 ]  - [   0.0030686000000000, -0.0001260000000000, -0.0003722800000000 ]  - [  -0.0002740300000000, -0.0015912000000000, -0.0021029100000000 ]  - [   0.0000000000000000, -0.0026242600000000, -0.0004407800000000 ]  - [   0.0000000000000000, -0.0002398900000000, -0.0000339700000000 ]  - [  -0.0043105900000000, -0.0045341600000000,  0.0031026600000000 ]  - [   0.0003090900000000, -0.0004962100000000,  0.0002329100000000 ]  - [  -0.0031846000000000,  0.0002852800000000, -0.0001749500000000 ]  - [  -0.0000201300000000,  0.0016259900000000, -0.0015024400000000 ]  - [   0.0000000000000000,  0.0000955000000000,  0.0039516700000000 ]  - [   0.0000000000000000,  0.0001177400000000,  0.0002641200000000 ]  - [  -0.0003090900000000, -0.0004962100000000,  0.0002329100000000 ]  - [   0.0043105900000000, -0.0045341600000000,  0.0031026600000000 ]  - [   0.0000000000000000,  0.0026243100000000, -0.0004454200000000 ]  - [   0.0000000000000000,  0.0002371600000000, -0.0000351600000000 ]  - [   0.0000000000000000,  0.0000776300000000,  0.0004823800000000 ]  - [   0.0000000000000000,  0.0000783300000000,  0.0000724100000000 ]  - [   0.0000000000000000, -0.0001056800000000, -0.0019308400000000 ]  - [   0.0000000000000000, -0.0000993500000000, -0.0002679300000000 ]  - [   0.0000449300000000,  0.0000681900000000, -0.0001209900000000 ]  - [  -0.0001431500000000,  0.0003399400000000, -0.0002180900000000 ]  - [   0.0000748300000000,  0.0000839100000000,  0.0000522300000000 ]  - [   0.0002623200000000, -0.0001881100000000, -0.0000439900000000 ]  - [  -0.0000745700000000, -0.0003737800000000,  0.0001800900000000 ]  - [  -0.0002181100000000, -0.0004367000000000,  0.0002414100000000 ]  - [  -0.0000001600000000, -0.0000760000000000, -0.0006003200000000 ]  - [   0.0000001600000000, -0.0000760000000000, -0.0006003200000000 ]  - [   0.0002181100000000, -0.0004367000000000,  0.0002414100000000 ]  - [   0.0000745700000000, -0.0003737800000000,  0.0001800900000000 ]  - [   0.0001431500000000,  0.0003399400000000, -0.0002180900000000 ]  - [  -0.0000449300000000,  0.0000681900000000, -0.0001209900000000 ]  - [  -0.0012837100000000,  0.0029516300000000,  0.0005385400000000 ]  - [   0.0012837100000000,  0.0029516300000000,  0.0005385400000000 ]  - [  -0.0003347800000000,  0.0002917700000000,  0.0000657400000000 ]  - [  -0.0002047100000000,  0.0002222700000000,  0.0000195300000000 ]  - [  -0.0002623200000000, -0.0001881100000000, -0.0000439900000000 ]  - [  -0.0000748300000000,  0.0000839100000000,  0.0000522300000000 ]  - [   0.0000000100000000,  0.0001265700000000,  0.0005175800000000 ]  - [  -0.0000000100000000,  0.0001265700000000,  0.0005175800000000 ]  - [   0.0002047100000000,  0.0002222700000000,  0.0000195300000000 ]  - [   0.0003347800000000,  0.0002917700000000,  0.0000657400000000 ]  - [   0.0012725300000000, -0.0029243600000000,  0.0005271900000000 ]  - [  -0.0012725300000000, -0.0029243600000000,  0.0005271900000000 ]- atom:    9  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0243026900000000, -0.0001463700000000,  0.0000000000000000 ]  - [   0.0091696200000000, -0.0001282500000000,  0.0000000000000000 ]  - [   0.0067308700000000,  0.0131927300000000,  0.0000000000000000 ]  - [   0.0067058100000000, -0.0128685100000000,  0.0000000000000000 ]  - [  -0.0000111800000000, -0.0005513500000000,  0.0000000000000000 ]  - [   0.0000027100000000,  0.0003092300000000,  0.0000000000000000 ]  - [  -0.0025280900000000,  0.0002080000000000,  0.0000000000000000 ]  - [   0.0025072300000000,  0.0001253100000000,  0.0000000000000000 ]  - [  -0.2371966000000000, -0.0022039300000000,  0.0000000000000000 ]  - [   0.0227015900000000,  0.0000171200000000,  0.0000000000000000 ]  - [   0.0018265400000000,  0.0029431500000000,  0.0000000000000000 ]  - [   0.0018250000000000, -0.0030088500000000,  0.0000000000000000 ]  - [  -0.0000125700000000,  0.0009163900000000,  0.0000000000000000 ]  - [   0.0000007300000000, -0.0008119300000000,  0.0000000000000000 ]  - [  -0.0061376300000000, -0.0000161700000000,  0.0000000000000000 ]  - [   0.0060398400000000, -0.0000610800000000,  0.0000000000000000 ]  - [  -0.0079300900000000,  0.0000181300000000,  0.0001940300000000 ]  - [   0.0050225900000000,  0.0000182800000000,  0.0001911100000000 ]  - [  -0.0079300900000000,  0.0000181300000000, -0.0001940300000000 ]  - [   0.0050225900000000,  0.0000182800000000, -0.0001911100000000 ]  - [   0.0336941500000000, -0.0101414900000000,  0.0162317100000000 ]  - [   0.0335482900000000,  0.0100690100000000, -0.0156216600000000 ]  - [   0.0336941500000000, -0.0101414900000000, -0.0162317100000000 ]  - [   0.0335482900000000,  0.0100690100000000,  0.0156216600000000 ]  - [   0.0001508100000000, -0.0108976600000000, -0.0005228500000000 ]  - [   0.0002365100000000,  0.0108424500000000,  0.0009337600000000 ]  - [   0.0001508100000000, -0.0108976600000000,  0.0005228500000000 ]  - [   0.0002365100000000,  0.0108424500000000, -0.0009337600000000 ]  - [  -0.0015323300000000,  0.0000088100000000,  0.0001895300000000 ]  - [   0.0015499000000000,  0.0000027200000000,  0.0001896000000000 ]  - [  -0.0015323300000000,  0.0000088100000000, -0.0001895300000000 ]  - [   0.0015499000000000,  0.0000027200000000, -0.0001896000000000 ]  - [  -0.0081792000000000,  0.0004041100000000,  0.0000000000000000 ]  - [  -0.0082097700000000, -0.0002562200000000,  0.0000000000000000 ]  - [   0.0000093400000000, -0.0020017000000000,  0.0000000000000000 ]  - [   0.0000088800000000,  0.0017320300000000,  0.0000000000000000 ]  - [   0.0366449600000000,  0.0092124000000000,  0.0219823600000000 ]  - [  -0.0158391800000000, -0.0007521800000000, -0.0026489200000000 ]  - [   0.0366449600000000,  0.0092124000000000, -0.0219823600000000 ]  - [  -0.0158391800000000, -0.0007521800000000,  0.0026489200000000 ]  - [  -0.0027795600000000, -0.0012375400000000, -0.0000541900000000 ]  - [   0.0028760200000000,  0.0037857300000000,  0.0011336200000000 ]  - [   0.0045465500000000, -0.0000819500000000,  0.0000000000000000 ]  - [  -0.0029178200000000, -0.0000834600000000,  0.0000000000000000 ]  - [   0.0027569400000000, -0.0039552100000000, -0.0009715600000000 ]  - [  -0.0029008900000000,  0.0010734800000000,  0.0002182200000000 ]  - [  -0.0159771100000000,  0.0009177600000000,  0.0024558300000000 ]  - [   0.0352430200000000, -0.0082597200000000, -0.0205420300000000 ]  - [   0.0014125400000000, -0.0000125100000000,  0.0000000400000000 ]  - [  -0.0009992600000000, -0.0000093500000000,  0.0000000700000000 ]  - [   0.0027569400000000, -0.0039552100000000,  0.0009715600000000 ]  - [  -0.0029008900000000,  0.0010734800000000, -0.0002182200000000 ]  - [  -0.0159771100000000,  0.0009177600000000, -0.0024558300000000 ]  - [   0.0352430200000000, -0.0082597200000000,  0.0205420300000000 ]  - [   0.0051183900000000,  0.0001375600000000,  0.0000000000000000 ]  - [  -0.0029477000000000,  0.0001369200000000,  0.0000000000000000 ]  - [  -0.0027795600000000, -0.0012375400000000,  0.0000541900000000 ]  - [   0.0028760200000000,  0.0037857300000000, -0.0011336200000000 ]  - [   0.0014125400000000, -0.0000125100000000, -0.0000000400000000 ]  - [  -0.0009992600000000, -0.0000093500000000, -0.0000000700000000 ]  - [   0.0007166900000000,  0.0000708800000000,  0.0000000000000000 ]  - [  -0.0007144900000000,  0.0000729700000000,  0.0000000000000000 ]  - [   0.0338388300000000,  0.0004393800000000,  0.0000000000000000 ]  - [  -0.0026951200000000, -0.0000961800000000,  0.0000000000000000 ]  - [  -0.0007248500000000,  0.0002283000000000, -0.0002545500000000 ]  - [   0.0008608700000000, -0.0001015100000000,  0.0000926700000000 ]  - [  -0.0007248500000000,  0.0002283000000000,  0.0002545500000000 ]  - [   0.0008608700000000, -0.0001015100000000, -0.0000926700000000 ]  - [   0.0026054200000000,  0.0015516000000000, -0.0008784900000000 ]  - [  -0.0026584900000000, -0.0019387200000000,  0.0011479900000000 ]  - [  -0.0000175600000000,  0.0027473300000000,  0.0000000000000000 ]  - [  -0.0000590400000000, -0.0028975600000000,  0.0000000000000000 ]  - [  -0.0027674900000000,  0.0017992900000000, -0.0009733300000000 ]  - [   0.0024418700000000, -0.0017178200000000,  0.0010627900000000 ]  - [   0.0007459400000000,  0.0002357900000000, -0.0002610800000000 ]  - [  -0.0008494900000000, -0.0000816100000000,  0.0000857000000000 ]  - [  -0.0038038100000000,  0.0121534100000000,  0.0011141200000000 ]  - [  -0.0038153100000000, -0.0120508400000000, -0.0011016100000000 ]  - [  -0.0027674900000000,  0.0017992900000000,  0.0009733300000000 ]  - [   0.0024418700000000, -0.0017178200000000, -0.0010627900000000 ]  - [   0.0007459400000000,  0.0002357900000000,  0.0002610800000000 ]  - [  -0.0008494900000000, -0.0000816100000000, -0.0000857000000000 ]  - [  -0.0001212400000000, -0.0014358900000000,  0.0000000000000000 ]  - [  -0.0001218200000000,  0.0016743100000000,  0.0000000000000000 ]  - [   0.0026054200000000,  0.0015516000000000,  0.0008784900000000 ]  - [  -0.0026584900000000, -0.0019387200000000, -0.0011479900000000 ]  - [  -0.0038038100000000,  0.0121534100000000, -0.0011141200000000 ]  - [  -0.0038153100000000, -0.0120508400000000,  0.0011016100000000 ]- atom:    9  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000, -0.0035318600000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0016739100000000,  0.0000000000000000 ]  - [   0.0075751300000000,  0.0056647700000000,  0.0000000000000000 ]  - [  -0.0075751300000000,  0.0056647700000000,  0.0000000000000000 ]  - [  -0.0010680100000000,  0.0038760700000000,  0.0000000000000000 ]  - [   0.0010680100000000,  0.0038760700000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0172477000000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0012707300000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.4787081600000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0065183800000000,  0.0000000000000000 ]  - [   0.0029871700000000,  0.0032946100000000,  0.0000000000000000 ]  - [  -0.0029871700000000,  0.0032946100000000,  0.0000000000000000 ]  - [  -0.0008428300000000,  0.0045479700000000,  0.0000000000000000 ]  - [   0.0008428300000000,  0.0045479700000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0045597800000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0024927800000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0076563300000000, -0.0057068800000000 ]  - [   0.0000000000000000,  0.0027891700000000,  0.0004453200000000 ]  - [   0.0000000000000000,  0.0076563300000000,  0.0057068800000000 ]  - [   0.0000000000000000,  0.0027891700000000, -0.0004453200000000 ]  - [   0.0056212900000000, -0.0162707200000000,  0.0006203500000000 ]  - [  -0.0056212900000000, -0.0162707200000000,  0.0006203500000000 ]  - [   0.0056212900000000, -0.0162707200000000, -0.0006203500000000 ]  - [  -0.0056212900000000, -0.0162707200000000, -0.0006203500000000 ]  - [  -0.0095255000000000,  0.0004238300000000,  0.0043330000000000 ]  - [   0.0095255000000000,  0.0004238300000000,  0.0043330000000000 ]  - [  -0.0095255000000000,  0.0004238300000000, -0.0043330000000000 ]  - [   0.0095255000000000,  0.0004238300000000, -0.0043330000000000 ]  - [   0.0000000000000000,  0.0058912100000000, -0.0000869100000000 ]  - [   0.0000000000000000,  0.0032418800000000, -0.0000011000000000 ]  - [   0.0000000000000000,  0.0058912100000000,  0.0000869100000000 ]  - [   0.0000000000000000,  0.0032418800000000,  0.0000011000000000 ]  - [  -0.0040933200000000,  0.0032080800000000,  0.0000000000000000 ]  - [   0.0040933200000000,  0.0032080800000000,  0.0000000000000000 ]  - [  -0.0003323500000000, -0.0040356400000000,  0.0000000000000000 ]  - [   0.0003323500000000, -0.0040356400000000,  0.0000000000000000 ]  - [   0.0113907500000000,  0.0295439700000000,  0.0127128500000000 ]  - [   0.0035550100000000,  0.0023949500000000,  0.0000736500000000 ]  - [   0.0113907500000000,  0.0295439700000000, -0.0127128500000000 ]  - [   0.0035550100000000,  0.0023949500000000, -0.0000736500000000 ]  - [  -0.0007690500000000, -0.0005912400000000,  0.0000960100000000 ]  - [   0.0019614300000000, -0.0020898200000000, -0.0018338900000000 ]  - [   0.0000000000000000, -0.0074177500000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0010266600000000,  0.0000000000000000 ]  - [  -0.0019614300000000, -0.0020898200000000, -0.0018338900000000 ]  - [   0.0007690500000000, -0.0005912400000000,  0.0000960100000000 ]  - [  -0.0035550100000000,  0.0023949500000000,  0.0000736500000000 ]  - [  -0.0113907500000000,  0.0295439700000000,  0.0127128500000000 ]  - [   0.0000000000000000, -0.0055960700000000,  0.0008492100000000 ]  - [   0.0000000000000000, -0.0028154700000000, -0.0000314100000000 ]  - [  -0.0019614300000000, -0.0020898200000000,  0.0018338900000000 ]  - [   0.0007690500000000, -0.0005912400000000, -0.0000960100000000 ]  - [  -0.0035550100000000,  0.0023949500000000, -0.0000736500000000 ]  - [  -0.0113907500000000,  0.0295439700000000, -0.0127128500000000 ]  - [   0.0000000000000000,  0.0035387500000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0036386500000000,  0.0000000000000000 ]  - [  -0.0007690500000000, -0.0005912400000000, -0.0000960100000000 ]  - [   0.0019614300000000, -0.0020898200000000,  0.0018338900000000 ]  - [   0.0000000000000000, -0.0055960700000000, -0.0008492100000000 ]  - [   0.0000000000000000, -0.0028154700000000,  0.0000314100000000 ]  - [   0.0000000000000000, -0.0021824600000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0011910700000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.3548074500000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0049830700000000,  0.0000000000000000 ]  - [   0.0002053200000000, -0.0013151100000000, -0.0001997400000000 ]  - [  -0.0004248100000000, -0.0026594200000000, -0.0000757300000000 ]  - [   0.0002053200000000, -0.0013151100000000,  0.0001997400000000 ]  - [  -0.0004248100000000, -0.0026594200000000,  0.0000757300000000 ]  - [   0.0032711600000000, -0.0026446100000000,  0.0019654900000000 ]  - [  -0.0020303100000000, -0.0001590300000000,  0.0008339600000000 ]  - [   0.0046582400000000, -0.0016711600000000,  0.0000000000000000 ]  - [  -0.0046582400000000, -0.0016711600000000,  0.0000000000000000 ]  - [   0.0020303100000000, -0.0001590300000000,  0.0008339600000000 ]  - [  -0.0032711600000000, -0.0026446100000000,  0.0019654900000000 ]  - [   0.0004248100000000, -0.0026594200000000, -0.0000757300000000 ]  - [  -0.0002053200000000, -0.0013151100000000, -0.0001997400000000 ]  - [   0.0023787000000000,  0.0106777300000000, -0.0027523500000000 ]  - [  -0.0023787000000000,  0.0106777300000000, -0.0027523500000000 ]  - [   0.0020303100000000, -0.0001590300000000, -0.0008339600000000 ]  - [  -0.0032711600000000, -0.0026446100000000, -0.0019654900000000 ]  - [   0.0004248100000000, -0.0026594200000000,  0.0000757300000000 ]  - [  -0.0002053200000000, -0.0013151100000000,  0.0001997400000000 ]  - [  -0.0001652100000000, -0.0033243700000000,  0.0000000000000000 ]  - [   0.0001652100000000, -0.0033243700000000,  0.0000000000000000 ]  - [   0.0032711600000000, -0.0026446100000000, -0.0019654900000000 ]  - [  -0.0020303100000000, -0.0001590300000000, -0.0008339600000000 ]  - [   0.0023787000000000,  0.0106777300000000,  0.0027523500000000 ]  - [  -0.0023787000000000,  0.0106777300000000,  0.0027523500000000 ]- atom:    9  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000,  0.0032173000000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0014024000000000,  0.0000000000000000 ]  - [  -0.0075360500000000, -0.0054614600000000,  0.0000000000000000 ]  - [   0.0075360500000000, -0.0054614600000000,  0.0000000000000000 ]  - [   0.0010848400000000, -0.0041665000000000,  0.0000000000000000 ]  - [  -0.0010848400000000, -0.0041665000000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0172123700000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0010107900000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.5012461000000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0066512700000000,  0.0000000000000000 ]  - [  -0.0029800600000000, -0.0034050600000000,  0.0000000000000000 ]  - [   0.0029800600000000, -0.0034050600000000,  0.0000000000000000 ]  - [   0.0008644200000000, -0.0044961700000000,  0.0000000000000000 ]  - [  -0.0008644200000000, -0.0044961700000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0046548600000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0024415900000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0076708600000000,  0.0060082200000000 ]  - [   0.0000000000000000, -0.0028136700000000, -0.0000603100000000 ]  - [   0.0000000000000000, -0.0076708600000000, -0.0060082200000000 ]  - [   0.0000000000000000, -0.0028136700000000,  0.0000603100000000 ]  - [  -0.0057532700000000,  0.0165487000000000, -0.0002509700000000 ]  - [   0.0057532700000000,  0.0165487000000000, -0.0002509700000000 ]  - [  -0.0057532700000000,  0.0165487000000000,  0.0002509700000000 ]  - [   0.0057532700000000,  0.0165487000000000,  0.0002509700000000 ]  - [   0.0096332600000000, -0.0004067800000000, -0.0039875300000000 ]  - [  -0.0096332600000000, -0.0004067800000000, -0.0039875300000000 ]  - [   0.0096332600000000, -0.0004067800000000,  0.0039875300000000 ]  - [  -0.0096332600000000, -0.0004067800000000,  0.0039875300000000 ]  - [   0.0000000000000000, -0.0059344400000000,  0.0004713400000000 ]  - [   0.0000000000000000, -0.0032849200000000,  0.0003875700000000 ]  - [   0.0000000000000000, -0.0059344400000000, -0.0004713400000000 ]  - [   0.0000000000000000, -0.0032849200000000, -0.0003875700000000 ]  - [   0.0041787000000000, -0.0031198500000000,  0.0000000000000000 ]  - [  -0.0041787000000000, -0.0031198500000000,  0.0000000000000000 ]  - [   0.0003268400000000,  0.0037821600000000,  0.0000000000000000 ]  - [  -0.0003268400000000,  0.0037821600000000,  0.0000000000000000 ]  - [  -0.0107889700000000, -0.0295263900000000, -0.0124550800000000 ]  - [  -0.0035222400000000, -0.0022662700000000, -0.0002688500000000 ]  - [  -0.0107889700000000, -0.0295263900000000,  0.0124550800000000 ]  - [  -0.0035222400000000, -0.0022662700000000,  0.0002688500000000 ]  - [   0.0008803300000000,  0.0004554300000000,  0.0000833600000000 ]  - [  -0.0018378800000000,  0.0019658300000000,  0.0019942000000000 ]  - [   0.0000000000000000,  0.0071996900000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0008843600000000,  0.0000000000000000 ]  - [   0.0018378800000000,  0.0019658300000000,  0.0019942000000000 ]  - [  -0.0008803300000000,  0.0004554300000000,  0.0000833600000000 ]  - [   0.0035222400000000, -0.0022662700000000, -0.0002688500000000 ]  - [   0.0107889700000000, -0.0295263900000000, -0.0124550800000000 ]  - [   0.0000000000000000,  0.0056211500000000, -0.0008388700000000 ]  - [   0.0000000000000000,  0.0028466500000000,  0.0000316600000000 ]  - [   0.0018378800000000,  0.0019658300000000, -0.0019942000000000 ]  - [  -0.0008803300000000,  0.0004554300000000, -0.0000833600000000 ]  - [   0.0035222400000000, -0.0022662700000000,  0.0002688500000000 ]  - [   0.0107889700000000, -0.0295263900000000,  0.0124550800000000 ]  - [   0.0000000000000000, -0.0033673700000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0033847300000000,  0.0000000000000000 ]  - [   0.0008803300000000,  0.0004554300000000, -0.0000833600000000 ]  - [  -0.0018378800000000,  0.0019658300000000, -0.0019942000000000 ]  - [   0.0000000000000000,  0.0056211500000000,  0.0008388700000000 ]  - [   0.0000000000000000,  0.0028466500000000, -0.0000316600000000 ]  - [   0.0000000000000000,  0.0023460500000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0013536000000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.3769337400000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0052822600000000,  0.0000000000000000 ]  - [  -0.0000864500000000,  0.0014770700000000,  0.0000325900000000 ]  - [   0.0005601600000000,  0.0028337800000000, -0.0000906100000000 ]  - [  -0.0000864500000000,  0.0014770700000000, -0.0000325900000000 ]  - [   0.0005601600000000,  0.0028337800000000,  0.0000906100000000 ]  - [  -0.0031914000000000,  0.0025043100000000, -0.0018126000000000 ]  - [   0.0021899300000000, -0.0000014600000000, -0.0006821800000000 ]  - [  -0.0047069900000000,  0.0015172400000000,  0.0000000000000000 ]  - [   0.0047069900000000,  0.0015172400000000,  0.0000000000000000 ]  - [  -0.0021899300000000, -0.0000014600000000, -0.0006821800000000 ]  - [   0.0031914000000000,  0.0025043100000000, -0.0018126000000000 ]  - [  -0.0005601600000000,  0.0028337800000000, -0.0000906100000000 ]  - [   0.0000864500000000,  0.0014770700000000,  0.0000325900000000 ]  - [  -0.0024348900000000, -0.0108147900000000,  0.0027975600000000 ]  - [   0.0024348900000000, -0.0108147900000000,  0.0027975600000000 ]  - [  -0.0021899300000000, -0.0000014600000000,  0.0006821800000000 ]  - [   0.0031914000000000,  0.0025043100000000,  0.0018126000000000 ]  - [  -0.0005601600000000,  0.0028337800000000,  0.0000906100000000 ]  - [   0.0000864500000000,  0.0014770700000000, -0.0000325900000000 ]  - [   0.0001623800000000,  0.0035987700000000,  0.0000000000000000 ]  - [  -0.0001623800000000,  0.0035987700000000,  0.0000000000000000 ]  - [  -0.0031914000000000,  0.0025043100000000,  0.0018126000000000 ]  - [   0.0021899300000000, -0.0000014600000000,  0.0006821800000000 ]  - [  -0.0024348900000000, -0.0108147900000000, -0.0027975600000000 ]  - [   0.0024348900000000, -0.0108147900000000, -0.0027975600000000 ]- atom:    9  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0000581600000000,  0.0348550800000000 ]  - [   0.0000000000000000, -0.0001287700000000,  0.0037961600000000 ]  - [   0.0000082000000000,  0.0001389200000000, -0.0085669200000000 ]  - [  -0.0000082000000000,  0.0001389200000000, -0.0085669200000000 ]  - [  -0.0000018600000000, -0.0001201100000000,  0.0003738000000000 ]  - [   0.0000018600000000, -0.0001201100000000,  0.0003738000000000 ]  - [   0.0000000000000000,  0.0002076600000000, -0.0007973100000000 ]  - [   0.0000000000000000,  0.0001286100000000, -0.0006681600000000 ]  - [   0.0000000000000000, -0.0021407400000000, -0.2044283300000000 ]  - [   0.0000000000000000,  0.0000101400000000, -0.0124934900000000 ]  - [   0.0000097800000000, -0.0000268900000000,  0.0039604900000000 ]  - [  -0.0000097800000000, -0.0000268900000000,  0.0039604900000000 ]  - [  -0.0000034900000000,  0.0000500500000000, -0.0003092400000000 ]  - [   0.0000034900000000,  0.0000500500000000, -0.0003092400000000 ]  - [   0.0000000000000000, -0.0001162000000000,  0.0035184600000000 ]  - [   0.0000000000000000, -0.0000506200000000,  0.0021927400000000 ]  - [   0.0000000000000000, -0.0036461900000000, -0.0017450500000000 ]  - [   0.0000000000000000, -0.0004153900000000, -0.0002579600000000 ]  - [   0.0000000000000000,  0.0036930200000000, -0.0021425600000000 ]  - [   0.0000000000000000,  0.0004457200000000, -0.0006472100000000 ]  - [   0.0321311700000000, -0.0101550300000000,  0.0209225700000000 ]  - [  -0.0321311700000000, -0.0101550300000000,  0.0209225700000000 ]  - [  -0.0318884900000000,  0.0100431600000000,  0.0205270100000000 ]  - [   0.0318884900000000,  0.0100431600000000,  0.0205270100000000 ]  - [  -0.0002326600000000,  0.0062194700000000, -0.0013328300000000 ]  - [   0.0002326600000000,  0.0062194700000000, -0.0013328300000000 ]  - [   0.0001777100000000, -0.0062141500000000, -0.0017790400000000 ]  - [  -0.0001777100000000, -0.0062141500000000, -0.0017790400000000 ]  - [   0.0000000000000000,  0.0005409000000000,  0.0004072700000000 ]  - [   0.0000000000000000,  0.0000578800000000,  0.0002809200000000 ]  - [   0.0000000000000000, -0.0005241800000000,  0.0000295600000000 ]  - [   0.0000000000000000, -0.0000532200000000, -0.0000997400000000 ]  - [  -0.0000294600000000,  0.0000891600000000, -0.0177481000000000 ]  - [   0.0000294600000000,  0.0000891600000000, -0.0177481000000000 ]  - [  -0.0000004800000000, -0.0001388300000000,  0.0001362000000000 ]  - [   0.0000004800000000, -0.0001388300000000,  0.0001362000000000 ]  - [   0.0194089500000000,  0.0084691900000000,  0.0324926600000000 ]  - [   0.0104788100000000,  0.0008823800000000,  0.0011936600000000 ]  - [  -0.0177896700000000, -0.0075699600000000,  0.0314882500000000 ]  - [  -0.0103780200000000, -0.0007220700000000,  0.0013798500000000 ]  - [   0.0000067600000000, -0.0006913700000000, -0.0001603900000000 ]  - [   0.0009581100000000, -0.0035365000000000, -0.0019064300000000 ]  - [   0.0000000000000000, -0.0000818400000000,  0.0036374500000000 ]  - [   0.0000000000000000, -0.0000836100000000,  0.0005497000000000 ]  - [  -0.0009581100000000, -0.0035365000000000, -0.0019064300000000 ]  - [  -0.0000067600000000, -0.0006913700000000, -0.0001603900000000 ]  - [  -0.0104788100000000,  0.0008823800000000,  0.0011936600000000 ]  - [  -0.0194089500000000,  0.0084691900000000,  0.0324926600000000 ]  - [   0.0000000000000000,  0.0011030300000000,  0.0003129600000000 ]  - [   0.0000000000000000,  0.0002351800000000,  0.0000498300000000 ]  - [   0.0008366500000000,  0.0033614300000000, -0.0020829500000000 ]  - [  -0.0001020700000000,  0.0005363900000000, -0.0003402200000000 ]  - [   0.0103780200000000, -0.0007220700000000,  0.0013798500000000 ]  - [   0.0177896700000000, -0.0075699600000000,  0.0314882500000000 ]  - [   0.0000000000000000,  0.0002297700000000, -0.0073678900000000 ]  - [   0.0000000000000000,  0.0001295500000000, -0.0009543100000000 ]  - [   0.0001020700000000,  0.0005363900000000, -0.0003402200000000 ]  - [  -0.0008366500000000,  0.0033614300000000, -0.0020829500000000 ]  - [   0.0000000000000000, -0.0011318800000000,  0.0003134400000000 ]  - [   0.0000000000000000, -0.0002521300000000,  0.0000502000000000 ]  - [   0.0000000000000000,  0.0000739300000000, -0.0002806500000000 ]  - [   0.0000000000000000,  0.0000753100000000, -0.0001284100000000 ]  - [   0.0000000000000000,  0.0004541500000000,  0.0297063100000000 ]  - [   0.0000000000000000, -0.0000945200000000,  0.0008765600000000 ]  - [   0.0001011700000000,  0.0001307300000000, -0.0000210600000000 ]  - [   0.0001710100000000,  0.0000331200000000,  0.0000153200000000 ]  - [   0.0000189200000000,  0.0000133000000000,  0.0001517700000000 ]  - [  -0.0000565700000000,  0.0001026200000000,  0.0001853300000000 ]  - [   0.0006067600000000,  0.0009782900000000, -0.0003350900000000 ]  - [   0.0009506700000000,  0.0011343100000000, -0.0004121600000000 ]  - [   0.0000198800000000, -0.0000869900000000,  0.0019788200000000 ]  - [  -0.0000198800000000, -0.0000869900000000,  0.0019788200000000 ]  - [  -0.0009506700000000,  0.0011343100000000, -0.0004121600000000 ]  - [  -0.0006067600000000,  0.0009782900000000, -0.0003350900000000 ]  - [  -0.0001710100000000,  0.0000331200000000,  0.0000153200000000 ]  - [  -0.0001011700000000,  0.0001307300000000, -0.0000210600000000 ]  - [   0.0037967100000000, -0.0089340700000000, -0.0013704000000000 ]  - [  -0.0037967100000000, -0.0089340700000000, -0.0013704000000000 ]  - [   0.0008413100000000, -0.0012816900000000, -0.0005966800000000 ]  - [   0.0004963800000000, -0.0011361500000000, -0.0005570800000000 ]  - [   0.0000565700000000,  0.0001026200000000,  0.0001853300000000 ]  - [  -0.0000189200000000,  0.0000133000000000,  0.0001517700000000 ]  - [  -0.0000006200000000,  0.0001107400000000, -0.0002344600000000 ]  - [   0.0000006200000000,  0.0001107400000000, -0.0002344600000000 ]  - [  -0.0004963800000000, -0.0011361500000000, -0.0005570800000000 ]  - [  -0.0008413100000000, -0.0012816900000000, -0.0005966800000000 ]  - [  -0.0037907200000000,  0.0090168600000000, -0.0013354900000000 ]  - [   0.0037907200000000,  0.0090168600000000, -0.0013354900000000 ]- atom:   17  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0136324900000000, -0.0001146100000000,  0.0000033900000000 ]  - [   0.0046873400000000, -0.0001291300000000, -0.0000012400000000 ]  - [   0.0124884100000000, -0.0087863800000000,  0.0134413200000000 ]  - [   0.0123732200000000,  0.0089236800000000, -0.0133035300000000 ]  - [   0.0000177600000000,  0.0029917000000000, -0.0000179300000000 ]  - [   0.0000318100000000, -0.0032602100000000,  0.0000196500000000 ]  - [  -0.0012604000000000,  0.0001307400000000, -0.0000001500000000 ]  - [   0.0013145200000000,  0.0001298900000000,  0.0000002200000000 ]  - [  -0.0079321900000000,  0.0000531600000000,  0.0000042500000000 ]  - [   0.0050236600000000,  0.0000274700000000,  0.0000004500000000 ]  - [   0.0336621000000000,  0.0055506800000000, -0.0320762300000000 ]  - [   0.0335788100000000, -0.0058037200000000,  0.0319462700000000 ]  - [   0.0001771900000000,  0.0096761500000000,  0.0002020200000000 ]  - [   0.0002090700000000, -0.0095006300000000, -0.0002081800000000 ]  - [  -0.0015330900000000, -0.0000384200000000, -0.0000000300000000 ]  - [   0.0015490700000000, -0.0000426300000000, -0.0000001500000000 ]  - [  -0.4743773800000000,  0.0066199700000000,  0.0061647300000000 ]  - [   0.0162013600000000,  0.0000098500000000,  0.0001903700000000 ]  - [  -0.0179427900000000,  0.0000248000000000, -0.0002120900000000 ]  - [   0.0138129500000000,  0.0000044400000000, -0.0001825400000000 ]  - [   0.0000659200000000, -0.0016401000000000, -0.0012631400000000 ]  - [   0.0000794700000000,  0.0016229000000000,  0.0016548100000000 ]  - [   0.0021834400000000, -0.0036839200000000,  0.0001653300000000 ]  - [   0.0021865000000000,  0.0036667400000000, -0.0005629600000000 ]  - [  -0.0000269100000000, -0.0009461700000000,  0.0001017700000000 ]  - [  -0.0000235600000000,  0.0009583700000000,  0.0002791700000000 ]  - [  -0.0000042300000000, -0.0005647900000000, -0.0000160200000000 ]  - [  -0.0000012000000000,  0.0005792000000000, -0.0003652000000000 ]  - [  -0.0059363200000000, -0.0000302100000000,  0.0002088700000000 ]  - [   0.0059130600000000, -0.0000078500000000,  0.0001970100000000 ]  - [  -0.0040408400000000, -0.0000385200000000, -0.0002032400000000 ]  - [   0.0057890300000000, -0.0000057000000000, -0.0001962600000000 ]  - [  -0.0005320000000000,  0.0019003600000000,  0.0009971600000000 ]  - [  -0.0005379300000000, -0.0017514900000000, -0.0009979000000000 ]  - [  -0.0033084900000000, -0.0094626100000000, -0.0028870400000000 ]  - [  -0.0032632300000000,  0.0090883100000000,  0.0028300700000000 ]  - [   0.0020313400000000,  0.0017365500000000,  0.0000478800000000 ]  - [  -0.0017743700000000, -0.0014673100000000, -0.0004906500000000 ]  - [   0.0025394500000000,  0.0057677500000000, -0.0021987600000000 ]  - [  -0.0025071200000000, -0.0015957000000000,  0.0007944000000000 ]  - [  -0.0101588600000000,  0.0022199000000000,  0.0052762500000000 ]  - [   0.0099281600000000, -0.0003835700000000, -0.0142641300000000 ]  - [   0.0311379700000000,  0.0000325000000000, -0.0006714000000000 ]  - [  -0.0057124400000000, -0.0000771400000000, -0.0000023100000000 ]  - [   0.0098279700000000,  0.0002242100000000,  0.0144829700000000 ]  - [  -0.0102911200000000, -0.0023807000000000, -0.0051249200000000 ]  - [  -0.0018840300000000,  0.0016298400000000,  0.0003127800000000 ]  - [   0.0018989900000000, -0.0015832000000000, -0.0002152100000000 ]  - [   0.0204565800000000, -0.0010387800000000,  0.0000839500000000 ]  - [  -0.0037163800000000, -0.0000009700000000,  0.0000033400000000 ]  - [   0.1900780100000000, -0.0822860600000000, -0.0684865100000000 ]  - [  -0.0140862500000000, -0.0010627100000000,  0.0028942800000000 ]  - [  -0.0026184500000000,  0.0017581700000000, -0.0006171900000000 ]  - [   0.0024113300000000, -0.0055907700000000,  0.0023617500000000 ]  - [   0.0005320000000000,  0.0001251700000000,  0.0000003800000000 ]  - [  -0.0005412800000000,  0.0001198200000000,  0.0000000600000000 ]  - [  -0.0139688900000000,  0.0009102200000000, -0.0030321100000000 ]  - [   0.1807206800000000,  0.0766152500000000,  0.0629086600000000 ]  - [   0.0040600400000000,  0.0000221400000000,  0.0000095300000000 ]  - [  -0.0034381100000000,  0.0000013700000000, -0.0000038500000000 ]  - [   0.0021473500000000,  0.0001025300000000, -0.0000187800000000 ]  - [  -0.0024351400000000,  0.0000762200000000, -0.0000002800000000 ]  - [   0.0006402200000000, -0.0001368900000000, -0.0000004300000000 ]  - [  -0.0004501500000000, -0.0001086500000000, -0.0000000800000000 ]  - [  -0.0029703700000000, -0.0006996300000000, -0.0011566100000000 ]  - [   0.0030011600000000,  0.0008099600000000,  0.0009464400000000 ]  - [  -0.0029148800000000, -0.0006526700000000,  0.0011269300000000 ]  - [   0.0042181600000000, -0.0004518700000000, -0.0017563200000000 ]  - [   0.0006393500000000, -0.0002933600000000, -0.0000761200000000 ]  - [  -0.0005185700000000,  0.0001410700000000,  0.0002423500000000 ]  - [   0.0000055300000000,  0.0000145200000000, -0.0000446600000000 ]  - [   0.0000038400000000, -0.0001697900000000,  0.0000447400000000 ]  - [  -0.0006381900000000, -0.0002935900000000, -0.0000724000000000 ]  - [   0.0005168800000000,  0.0001391400000000,  0.0002438800000000 ]  - [   0.0029037100000000, -0.0006536600000000, -0.0011342600000000 ]  - [  -0.0030855500000000,  0.0008479800000000,  0.0009762700000000 ]  - [  -0.0003275800000000,  0.0017203100000000, -0.0000542800000000 ]  - [  -0.0003278000000000, -0.0017161800000000,  0.0000551300000000 ]  - [  -0.0006957200000000, -0.0002014700000000,  0.0000992300000000 ]  - [   0.0005505000000000,  0.0000462300000000, -0.0002457200000000 ]  - [   0.0041516600000000,  0.0006308400000000,  0.0019535300000000 ]  - [  -0.0030323700000000,  0.0008012000000000, -0.0009474700000000 ]  - [  -0.0017028600000000, -0.0097526500000000,  0.0023972400000000 ]  - [  -0.0016865400000000,  0.0101029300000000, -0.0023686200000000 ]  - [   0.0006726700000000, -0.0001997300000000,  0.0000776300000000 ]  - [  -0.0005757700000000,  0.0000492700000000, -0.0002690900000000 ]  - [  -0.0000022500000000,  0.0010485400000000,  0.0002344400000000 ]  - [  -0.0000041800000000, -0.0010479100000000, -0.0002348800000000 ]- atom:   17  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000,  0.0134105000000000,  0.0111868000000000 ]  - [   0.0000000000000000,  0.0010670200000000,  0.0002313100000000 ]  - [  -0.0086964700000000, -0.0019286400000000, -0.0052936000000000 ]  - [   0.0086964700000000, -0.0019286400000000, -0.0052936000000000 ]  - [   0.0040031800000000,  0.0017606100000000, -0.0018121000000000 ]  - [  -0.0040031800000000,  0.0017606100000000, -0.0018121000000000 ]  - [   0.0000000000000000,  0.0068471300000000,  0.0014516200000000 ]  - [   0.0000000000000000,  0.0030300900000000,  0.0001045600000000 ]  - [   0.0000000000000000,  0.0076847000000000, -0.0036353700000000 ]  - [   0.0000000000000000,  0.0028281200000000, -0.0004269400000000 ]  - [  -0.0101383900000000, -0.0164665200000000,  0.0101141100000000 ]  - [   0.0101383900000000, -0.0164665200000000,  0.0101141100000000 ]  - [   0.0108777200000000,  0.0004596000000000,  0.0062225900000000 ]  - [  -0.0108777200000000,  0.0004596000000000,  0.0062225900000000 ]  - [   0.0000000000000000,  0.0058672700000000, -0.0005342600000000 ]  - [   0.0000000000000000,  0.0032155800000000, -0.0000565200000000 ]  - [   0.0000000000000000, -0.5247913700000000,  0.0045221300000000 ]  - [   0.0000000000000000, -0.0074833000000000, -0.0022192000000000 ]  - [   0.0000000000000000, -0.0173173000000000, -0.0065351500000000 ]  - [   0.0000000000000000, -0.0071927600000000,  0.0014908600000000 ]  - [  -0.0016246200000000,  0.0038485300000000,  0.0002303500000000 ]  - [   0.0016246200000000,  0.0038485300000000,  0.0002303500000000 ]  - [  -0.0036473500000000,  0.0048414500000000,  0.0010370800000000 ]  - [   0.0036473500000000,  0.0048414500000000,  0.0010370800000000 ]  - [   0.0009555500000000,  0.0051585200000000,  0.0002427400000000 ]  - [  -0.0009555500000000,  0.0051585200000000,  0.0002427400000000 ]  - [   0.0005749100000000,  0.0042980700000000, -0.0001367800000000 ]  - [  -0.0005749100000000,  0.0042980700000000, -0.0001367800000000 ]  - [   0.0000000000000000, -0.0041692200000000, -0.0065955300000000 ]  - [   0.0000000000000000, -0.0044797000000000,  0.0017752800000000 ]  - [   0.0000000000000000,  0.0757473600000000, -0.0093819500000000 ]  - [   0.0000000000000000, -0.0048879600000000, -0.0021882400000000 ]  - [   0.0011739200000000, -0.0013763400000000, -0.0006646100000000 ]  - [  -0.0011739200000000, -0.0013763400000000, -0.0006646100000000 ]  - [  -0.0041724200000000,  0.0040657400000000, -0.0022127100000000 ]  - [   0.0041724200000000,  0.0040657400000000, -0.0022127100000000 ]  - [   0.0012011700000000, -0.0014410800000000,  0.0003765700000000 ]  - [  -0.0006863300000000, -0.0009279700000000, -0.0001734200000000 ]  - [   0.0025066500000000, -0.0042581900000000,  0.0004112500000000 ]  - [  -0.0013307400000000, -0.0009756600000000,  0.0003217700000000 ]  - [   0.0024937900000000,  0.0002106300000000, -0.0016947900000000 ]  - [  -0.0014210100000000,  0.0026092600000000, -0.0006970700000000 ]  - [   0.0000000000000000,  0.0420718200000000, -0.0414332000000000 ]  - [   0.0000000000000000,  0.0022220000000000,  0.0001839800000000 ]  - [   0.0014210100000000,  0.0026092600000000, -0.0006970700000000 ]  - [  -0.0024937900000000,  0.0002106300000000, -0.0016947900000000 ]  - [   0.0006863300000000, -0.0009279700000000, -0.0001734200000000 ]  - [  -0.0012011700000000, -0.0014410800000000,  0.0003765700000000 ]  - [   0.0000000000000000,  0.2967550700000000, -0.0292995200000000 ]  - [   0.0000000000000000,  0.0056234700000000,  0.0005655200000000 ]  - [  -0.0691255200000000,  0.0736465600000000,  0.0288626800000000 ]  - [  -0.0035780400000000,  0.0010933600000000,  0.0006767800000000 ]  - [   0.0013307400000000, -0.0009756600000000,  0.0003217700000000 ]  - [  -0.0025066500000000, -0.0042581900000000,  0.0004112500000000 ]  - [   0.0000000000000000, -0.0048900100000000, -0.0000808900000000 ]  - [   0.0000000000000000, -0.0027361400000000, -0.0000230100000000 ]  - [   0.0035780400000000,  0.0010933600000000,  0.0006767800000000 ]  - [   0.0691255200000000,  0.0736465600000000,  0.0288626800000000 ]  - [   0.0000000000000000,  0.0133451600000000,  0.0029970300000000 ]  - [   0.0000000000000000,  0.0050616700000000, -0.0005065400000000 ]  - [   0.0000000000000000, -0.0098897800000000,  0.0131933700000000 ]  - [   0.0000000000000000,  0.0012205700000000,  0.0001178300000000 ]  - [   0.0000000000000000, -0.0052624200000000,  0.0001392800000000 ]  - [   0.0000000000000000, -0.0029524000000000,  0.0000242200000000 ]  - [  -0.0021460400000000, -0.0001703100000000, -0.0017306400000000 ]  - [   0.0019620100000000, -0.0001550800000000, -0.0004765200000000 ]  - [  -0.0027088000000000,  0.0001683800000000,  0.0013729100000000 ]  - [   0.0119311600000000, -0.0137302300000000, -0.0045213000000000 ]  - [  -0.0002317000000000, -0.0022363200000000, -0.0000564000000000 ]  - [   0.0004071000000000, -0.0015950700000000, -0.0000745700000000 ]  - [  -0.0004223200000000, -0.0020429800000000, -0.0001416000000000 ]  - [   0.0004223200000000, -0.0020429800000000, -0.0001416000000000 ]  - [  -0.0004071000000000, -0.0015950700000000, -0.0000745700000000 ]  - [   0.0002317000000000, -0.0022363200000000, -0.0000564000000000 ]  - [  -0.0019620100000000, -0.0001550800000000, -0.0004765200000000 ]  - [   0.0021460400000000, -0.0001703100000000, -0.0017306400000000 ]  - [   0.0004503700000000, -0.0047869800000000, -0.0001143900000000 ]  - [  -0.0004503700000000, -0.0047869800000000, -0.0001143900000000 ]  - [  -0.0004789100000000, -0.0017543900000000,  0.0001113100000000 ]  - [   0.0001503500000000, -0.0030953800000000,  0.0004921500000000 ]  - [  -0.0119311600000000, -0.0137302300000000, -0.0045213000000000 ]  - [   0.0027088000000000,  0.0001683800000000,  0.0013729100000000 ]  - [  -0.0042198200000000,  0.0136563700000000,  0.0018693500000000 ]  - [   0.0042198200000000,  0.0136563700000000,  0.0018693500000000 ]  - [  -0.0001503500000000, -0.0030953800000000,  0.0004921500000000 ]  - [   0.0004789100000000, -0.0017543900000000,  0.0001113100000000 ]  - [   0.0001583800000000, -0.0038485200000000, -0.0000748400000000 ]  - [  -0.0001583800000000, -0.0038485200000000, -0.0000748400000000 ]- atom:   17  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000, -0.0137804600000000, -0.0113900300000000 ]  - [   0.0000000000000000, -0.0012945700000000, -0.0002336300000000 ]  - [   0.0087106200000000,  0.0022619500000000,  0.0053180200000000 ]  - [  -0.0087106200000000,  0.0022619500000000,  0.0053180200000000 ]  - [  -0.0039999400000000, -0.0020332700000000,  0.0018084400000000 ]  - [   0.0039999400000000, -0.0020332700000000,  0.0018084400000000 ]  - [   0.0000000000000000, -0.0066047000000000, -0.0014467300000000 ]  - [   0.0000000000000000, -0.0027873200000000, -0.0001034300000000 ]  - [   0.0000000000000000, -0.0076401500000000,  0.0037044100000000 ]  - [   0.0000000000000000, -0.0027720900000000,  0.0004351900000000 ]  - [   0.0100736300000000,  0.0163426500000000, -0.0100849400000000 ]  - [  -0.0100736300000000,  0.0163426500000000, -0.0100849400000000 ]  - [  -0.0108612200000000, -0.0003714100000000, -0.0062108600000000 ]  - [   0.0108612200000000, -0.0003714100000000, -0.0062108600000000 ]  - [   0.0000000000000000, -0.0059588200000000,  0.0005309000000000 ]  - [   0.0000000000000000, -0.0033135500000000,  0.0000544900000000 ]  - [   0.0000000000000000,  0.5031936700000000,  0.0001546900000000 ]  - [   0.0000000000000000,  0.0074793000000000,  0.0025856400000000 ]  - [   0.0000000000000000,  0.0172807500000000,  0.0061497200000000 ]  - [   0.0000000000000000,  0.0071911500000000, -0.0018630600000000 ]  - [   0.0016391200000000, -0.0038639500000000,  0.0001525700000000 ]  - [  -0.0016391200000000, -0.0038639500000000,  0.0001525700000000 ]  - [   0.0037045600000000, -0.0048715700000000, -0.0014470900000000 ]  - [  -0.0037045600000000, -0.0048715700000000, -0.0014470900000000 ]  - [  -0.0009487700000000, -0.0051616700000000,  0.0001425200000000 ]  - [   0.0009487700000000, -0.0051616700000000,  0.0001425200000000 ]  - [  -0.0005689600000000, -0.0042923400000000, -0.0002457500000000 ]  - [   0.0005689600000000, -0.0042923400000000, -0.0002457500000000 ]  - [   0.0000000000000000,  0.0041358700000000,  0.0069745600000000 ]  - [   0.0000000000000000,  0.0044470100000000, -0.0013868100000000 ]  - [   0.0000000000000000, -0.0752367500000000,  0.0088942000000000 ]  - [   0.0000000000000000,  0.0048531600000000,  0.0018002200000000 ]  - [  -0.0011877700000000,  0.0015368100000000,  0.0006775400000000 ]  - [   0.0011877700000000,  0.0015368100000000,  0.0006775400000000 ]  - [   0.0041539600000000, -0.0043188600000000,  0.0021990400000000 ]  - [  -0.0041539600000000, -0.0043188600000000,  0.0021990400000000 ]  - [  -0.0010940500000000,  0.0015820000000000, -0.0005586900000000 ]  - [   0.0007930200000000,  0.0010729000000000, -0.0000119500000000 ]  - [  -0.0024322500000000,  0.0044551300000000, -0.0002444800000000 ]  - [   0.0014498800000000,  0.0011216900000000, -0.0001378000000000 ]  - [  -0.0023582700000000, -0.0003775500000000,  0.0018522700000000 ]  - [   0.0015132500000000, -0.0027843800000000,  0.0008897000000000 ]  - [   0.0000000000000000, -0.0417175200000000,  0.0413070400000000 ]  - [   0.0000000000000000, -0.0023817600000000, -0.0001816800000000 ]  - [  -0.0015132500000000, -0.0027843800000000,  0.0008897000000000 ]  - [   0.0023582700000000, -0.0003775500000000,  0.0018522700000000 ]  - [  -0.0007930200000000,  0.0010729000000000, -0.0000119500000000 ]  - [   0.0010940500000000,  0.0015820000000000, -0.0005586900000000 ]  - [   0.0000000000000000, -0.2768650700000000,  0.0267666000000000 ]  - [   0.0000000000000000, -0.0056067500000000, -0.0005625900000000 ]  - [   0.0705732300000000, -0.0734919400000000, -0.0297923100000000 ]  - [   0.0034308300000000, -0.0012564500000000, -0.0008340200000000 ]  - [  -0.0014498800000000,  0.0011216900000000, -0.0001378000000000 ]  - [   0.0024322500000000,  0.0044551300000000, -0.0002444800000000 ]  - [   0.0000000000000000,  0.0051583000000000,  0.0000838300000000 ]  - [   0.0000000000000000,  0.0029712000000000,  0.0000237700000000 ]  - [  -0.0034308300000000, -0.0012564500000000, -0.0008340200000000 ]  - [  -0.0705732300000000, -0.0734919400000000, -0.0297923100000000 ]  - [   0.0000000000000000, -0.0132971200000000, -0.0029942700000000 ]  - [   0.0000000000000000, -0.0050467300000000,  0.0005037400000000 ]  - [   0.0000000000000000,  0.0100691000000000, -0.0132122900000000 ]  - [   0.0000000000000000, -0.0010575700000000, -0.0001183200000000 ]  - [   0.0000000000000000,  0.0050236300000000, -0.0001422600000000 ]  - [   0.0000000000000000,  0.0027477300000000, -0.0000249400000000 ]  - [   0.0022615100000000,  0.0003272200000000,  0.0015536100000000 ]  - [  -0.0018443100000000,  0.0003145800000000,  0.0002978400000000 ]  - [   0.0028234600000000, -0.0000100400000000, -0.0011967600000000 ]  - [  -0.0118289100000000,  0.0138874800000000,  0.0047092900000000 ]  - [   0.0003450900000000,  0.0020885400000000,  0.0002314600000000 ]  - [  -0.0002891100000000,  0.0014490100000000,  0.0002515000000000 ]  - [   0.0004186400000000,  0.0018907400000000,  0.0001400000000000 ]  - [  -0.0004186400000000,  0.0018907400000000,  0.0001400000000000 ]  - [   0.0002891100000000,  0.0014490100000000,  0.0002515000000000 ]  - [  -0.0003450900000000,  0.0020885400000000,  0.0002314600000000 ]  - [   0.0018443100000000,  0.0003145800000000,  0.0002978400000000 ]  - [  -0.0022615100000000,  0.0003272200000000,  0.0015536100000000 ]  - [  -0.0004620600000000,  0.0048096000000000,  0.0001171800000000 ]  - [   0.0004620600000000,  0.0048096000000000,  0.0001171800000000 ]  - [   0.0003590300000000,  0.0016102800000000, -0.0002875600000000 ]  - [  -0.0002631600000000,  0.0029466100000000, -0.0006665600000000 ]  - [   0.0118289100000000,  0.0138874800000000,  0.0047092900000000 ]  - [  -0.0028234600000000, -0.0000100400000000, -0.0011967600000000 ]  - [   0.0041987800000000, -0.0133137400000000, -0.0018515600000000 ]  - [  -0.0041987800000000, -0.0133137400000000, -0.0018515600000000 ]  - [   0.0002631600000000,  0.0029466100000000, -0.0006665600000000 ]  - [  -0.0003590300000000,  0.0016102800000000, -0.0002875600000000 ]  - [  -0.0001626900000000,  0.0038550500000000,  0.0000748800000000 ]  - [   0.0001626900000000,  0.0038550500000000,  0.0000748800000000 ]- atom:   17  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0109779700000000,  0.0075378200000000 ]  - [   0.0000000000000000,  0.0014283200000000,  0.0004646700000000 ]  - [   0.0158487300000000, -0.0049421900000000, -0.0036045000000000 ]  - [  -0.0158487300000000, -0.0049421900000000, -0.0036045000000000 ]  - [   0.0001973800000000, -0.0010859300000000,  0.0005052000000000 ]  - [  -0.0001973800000000, -0.0010859300000000,  0.0005052000000000 ]  - [   0.0000000000000000,  0.0001784100000000, -0.0003910900000000 ]  - [   0.0000000000000000,  0.0003020300000000, -0.0000648500000000 ]  - [   0.0000000000000000, -0.0058171500000000, -0.0019530800000000 ]  - [   0.0000000000000000,  0.0002781900000000, -0.0004547700000000 ]  - [  -0.0158830800000000, -0.0004900500000000,  0.0207867800000000 ]  - [   0.0158830800000000, -0.0004900500000000,  0.0207867800000000 ]  - [   0.0007247200000000,  0.0042165100000000, -0.0015705800000000 ]  - [  -0.0007247200000000,  0.0042165100000000, -0.0015705800000000 ]  - [   0.0000000000000000,  0.0002423600000000,  0.0002213400000000 ]  - [   0.0000000000000000,  0.0001503100000000,  0.0000896000000000 ]  - [   0.0000000000000000,  0.0058752600000000, -0.3919830200000000 ]  - [   0.0000000000000000, -0.0024020400000000, -0.0032914800000000 ]  - [   0.0000000000000000,  0.0062425900000000,  0.0769324300000000 ]  - [   0.0000000000000000, -0.0016735100000000,  0.0014232900000000 ]  - [   0.0014618900000000, -0.0000497900000000,  0.0016892700000000 ]  - [  -0.0014618900000000, -0.0000497900000000,  0.0016892700000000 ]  - [   0.0003623300000000,  0.0012373900000000, -0.0009626100000000 ]  - [  -0.0003623300000000,  0.0012373900000000, -0.0009626100000000 ]  - [   0.0000882300000000,  0.0000563000000000,  0.0000206900000000 ]  - [  -0.0000882300000000,  0.0000563000000000,  0.0000206900000000 ]  - [   0.0001749300000000, -0.0000484300000000, -0.0001499300000000 ]  - [  -0.0001749300000000, -0.0000484300000000, -0.0001499300000000 ]  - [   0.0000000000000000,  0.0068447900000000,  0.0026868700000000 ]  - [   0.0000000000000000, -0.0015887400000000,  0.0013538900000000 ]  - [   0.0000000000000000, -0.0091673600000000,  0.0032454900000000 ]  - [   0.0000000000000000, -0.0020042500000000, -0.0010575800000000 ]  - [  -0.0000091300000000, -0.0007512700000000, -0.0006165200000000 ]  - [   0.0000091300000000, -0.0007512700000000, -0.0006165200000000 ]  - [  -0.0038012100000000, -0.0047109500000000,  0.0004826600000000 ]  - [   0.0038012100000000, -0.0047109500000000,  0.0004826600000000 ]  - [  -0.0010700000000000,  0.0018035300000000, -0.0015654300000000 ]  - [   0.0006182300000000,  0.0000076900000000, -0.0003926300000000 ]  - [  -0.0013463000000000, -0.0007185700000000,  0.0029474900000000 ]  - [   0.0001811500000000, -0.0001906500000000,  0.0006407500000000 ]  - [   0.0011840800000000, -0.0009526800000000, -0.0023333300000000 ]  - [   0.0100550600000000,  0.0003427300000000, -0.0218902600000000 ]  - [   0.0000000000000000, -0.0412760000000000,  0.1805240300000000 ]  - [   0.0000000000000000, -0.0001903500000000,  0.0006209400000000 ]  - [  -0.0100550600000000,  0.0003427300000000, -0.0218902600000000 ]  - [  -0.0011840800000000, -0.0009526800000000, -0.0023333300000000 ]  - [  -0.0006182300000000,  0.0000076900000000, -0.0003926300000000 ]  - [   0.0010700000000000,  0.0018035300000000, -0.0015654300000000 ]  - [   0.0000000000000000, -0.0277124200000000,  0.0247814900000000 ]  - [   0.0000000000000000,  0.0020172300000000,  0.0007043700000000 ]  - [  -0.0680570700000000,  0.0366194200000000,  0.0617393500000000 ]  - [  -0.0038447800000000, -0.0000006300000000,  0.0012284700000000 ]  - [  -0.0001811500000000, -0.0001906500000000,  0.0006407500000000 ]  - [   0.0013463000000000, -0.0007185700000000,  0.0029474900000000 ]  - [   0.0000000000000000, -0.0005427000000000, -0.0000623000000000 ]  - [   0.0000000000000000, -0.0002243200000000, -0.0000260700000000 ]  - [   0.0038447800000000, -0.0000006300000000,  0.0012284700000000 ]  - [   0.0680570700000000,  0.0366194200000000,  0.0617393500000000 ]  - [   0.0000000000000000, -0.0121633100000000, -0.0119515100000000 ]  - [   0.0000000000000000,  0.0012187300000000, -0.0006158600000000 ]  - [   0.0000000000000000, -0.0012436000000000, -0.0016645800000000 ]  - [   0.0000000000000000,  0.0006678200000000, -0.0001267600000000 ]  - [   0.0000000000000000,  0.0007232300000000,  0.0001239300000000 ]  - [   0.0000000000000000, -0.0003151500000000,  0.0000309100000000 ]  - [  -0.0006735900000000,  0.0002004700000000, -0.0008872400000000 ]  - [   0.0006480000000000, -0.0012068900000000, -0.0002928400000000 ]  - [  -0.0005761800000000,  0.0002164000000000,  0.0009959600000000 ]  - [  -0.0022957100000000,  0.0022719300000000,  0.0012759500000000 ]  - [   0.0000534800000000, -0.0001881600000000, -0.0000919100000000 ]  - [   0.0001674900000000, -0.0000578700000000, -0.0000216700000000 ]  - [  -0.0000775300000000, -0.0001264900000000,  0.0000944200000000 ]  - [   0.0000775300000000, -0.0001264900000000,  0.0000944200000000 ]  - [  -0.0001674900000000, -0.0000578700000000, -0.0000216700000000 ]  - [  -0.0000534800000000, -0.0001881600000000, -0.0000919100000000 ]  - [  -0.0006480000000000, -0.0012068900000000, -0.0002928400000000 ]  - [   0.0006735900000000,  0.0002004700000000, -0.0008872400000000 ]  - [  -0.0001303000000000, -0.0001487600000000,  0.0000821400000000 ]  - [   0.0001303000000000, -0.0001487600000000,  0.0000821400000000 ]  - [  -0.0000925500000000, -0.0000818000000000, -0.0000245600000000 ]  - [   0.0000049700000000, -0.0000113500000000, -0.0000467700000000 ]  - [   0.0022957100000000,  0.0022719300000000,  0.0012759500000000 ]  - [   0.0005761800000000,  0.0002164000000000,  0.0009959600000000 ]  - [   0.0017879900000000,  0.0031410100000000, -0.0014004100000000 ]  - [  -0.0017879900000000,  0.0031410100000000, -0.0014004100000000 ]  - [  -0.0000049700000000, -0.0000113500000000, -0.0000467700000000 ]  - [   0.0000925500000000, -0.0000818000000000, -0.0000245600000000 ]  - [  -0.0003174300000000,  0.0002359000000000, -0.0001870000000000 ]  - [   0.0003174300000000,  0.0002359000000000, -0.0001870000000000 ]- atom:   17  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0113386600000000, -0.0075190100000000 ]  - [   0.0000000000000000, -0.0016780700000000, -0.0004600800000000 ]  - [  -0.0157696100000000,  0.0051708200000000,  0.0035624100000000 ]  - [   0.0157696100000000,  0.0051708200000000,  0.0035624100000000 ]  - [  -0.0001981700000000,  0.0008265800000000, -0.0004967500000000 ]  - [   0.0001981700000000,  0.0008265800000000, -0.0004967500000000 ]  - [   0.0000000000000000,  0.0000738500000000,  0.0003844700000000 ]  - [   0.0000000000000000, -0.0000472500000000,  0.0000643400000000 ]  - [   0.0000000000000000,  0.0058964100000000,  0.0019348100000000 ]  - [   0.0000000000000000, -0.0002247200000000,  0.0004500600000000 ]  - [   0.0159716600000000,  0.0003812200000000, -0.0206632900000000 ]  - [  -0.0159716600000000,  0.0003812200000000, -0.0206632900000000 ]  - [  -0.0007311300000000, -0.0041087700000000,  0.0015402000000000 ]  - [   0.0007311300000000, -0.0041087700000000,  0.0015402000000000 ]  - [   0.0000000000000000, -0.0003176400000000, -0.0002179200000000 ]  - [   0.0000000000000000, -0.0002396300000000, -0.0000883800000000 ]  - [   0.0000000000000000,  0.0014728600000000,  0.3773703100000000 ]  - [   0.0000000000000000,  0.0024041100000000,  0.0036561300000000 ]  - [   0.0000000000000000, -0.0064400000000000, -0.0769498100000000 ]  - [   0.0000000000000000,  0.0016817300000000, -0.0018079900000000 ]  - [  -0.0014561500000000,  0.0000268400000000, -0.0012974500000000 ]  - [   0.0014561500000000,  0.0000268400000000, -0.0012974500000000 ]  - [  -0.0003661000000000, -0.0012477400000000,  0.0005782700000000 ]  - [   0.0003661000000000, -0.0012477400000000,  0.0005782700000000 ]  - [  -0.0000877600000000, -0.0000426400000000,  0.0003620700000000 ]  - [   0.0000877600000000, -0.0000426400000000,  0.0003620700000000 ]  - [  -0.0001728200000000,  0.0000619300000000, -0.0002350200000000 ]  - [   0.0001728200000000,  0.0000619300000000, -0.0002350200000000 ]  - [   0.0000000000000000, -0.0067262600000000, -0.0022810600000000 ]  - [   0.0000000000000000,  0.0015725300000000, -0.0009661600000000 ]  - [   0.0000000000000000,  0.0091061300000000, -0.0035718100000000 ]  - [   0.0000000000000000,  0.0019830800000000,  0.0006744800000000 ]  - [   0.0000072000000000,  0.0009101200000000,  0.0006099400000000 ]  - [  -0.0000072000000000,  0.0009101200000000,  0.0006099400000000 ]  - [   0.0037679400000000,  0.0044127500000000, -0.0004675700000000 ]  - [  -0.0037679400000000,  0.0044127500000000, -0.0004675700000000 ]  - [   0.0011922700000000, -0.0016408600000000,  0.0014000800000000 ]  - [  -0.0005135100000000,  0.0001479600000000,  0.0002073500000000 ]  - [   0.0014672100000000,  0.0008630400000000, -0.0027713700000000 ]  - [  -0.0000813900000000,  0.0003445000000000, -0.0004521700000000 ]  - [  -0.0010646800000000,  0.0007933300000000,  0.0024908300000000 ]  - [  -0.0098951500000000, -0.0004692000000000,  0.0220786900000000 ]  - [   0.0000000000000000,  0.0372505700000000, -0.1673491500000000 ]  - [   0.0000000000000000,  0.0000320000000000, -0.0006133700000000 ]  - [   0.0098951500000000, -0.0004692000000000,  0.0220786900000000 ]  - [   0.0010646800000000,  0.0007933300000000,  0.0024908300000000 ]  - [   0.0005135100000000,  0.0001479600000000,  0.0002073500000000 ]  - [  -0.0011922700000000, -0.0016408600000000,  0.0014000800000000 ]  - [   0.0000000000000000,  0.0260124200000000, -0.0242329900000000 ]  - [   0.0000000000000000, -0.0020068900000000, -0.0007013300000000 ]  - [   0.0693432600000000, -0.0374905500000000, -0.0615695400000000 ]  - [   0.0036976700000000, -0.0001489200000000, -0.0013896200000000 ]  - [   0.0000813900000000,  0.0003445000000000, -0.0004521700000000 ]  - [  -0.0014672100000000,  0.0008630400000000, -0.0027713700000000 ]  - [   0.0000000000000000,  0.0007991600000000,  0.0000617000000000 ]  - [   0.0000000000000000,  0.0004578800000000,  0.0000259300000000 ]  - [  -0.0036976700000000, -0.0001489200000000, -0.0013896200000000 ]  - [  -0.0693432600000000, -0.0374905500000000, -0.0615695400000000 ]  - [   0.0000000000000000,  0.0120566400000000,  0.0119174000000000 ]  - [   0.0000000000000000, -0.0012168600000000,  0.0006142000000000 ]  - [   0.0000000000000000,  0.0013964700000000,  0.0016153700000000 ]  - [   0.0000000000000000, -0.0005130300000000,  0.0001249900000000 ]  - [   0.0000000000000000, -0.0009828900000000, -0.0001228300000000 ]  - [   0.0000000000000000,  0.0001025200000000, -0.0000305700000000 ]  - [   0.0007907100000000, -0.0000493300000000,  0.0007130900000000 ]  - [  -0.0005164300000000,  0.0013385400000000,  0.0001251700000000 ]  - [   0.0006944300000000, -0.0000650600000000, -0.0008188900000000 ]  - [   0.0023762100000000, -0.0020725000000000, -0.0010809900000000 ]  - [   0.0000640600000000,  0.0000339700000000,  0.0002639500000000 ]  - [  -0.0000492200000000, -0.0000922000000000,  0.0001971000000000 ]  - [   0.0000762300000000, -0.0000284100000000, -0.0000929600000000 ]  - [  -0.0000762300000000, -0.0000284100000000, -0.0000929600000000 ]  - [   0.0000492200000000, -0.0000922000000000,  0.0001971000000000 ]  - [  -0.0000640600000000,  0.0000339700000000,  0.0002639500000000 ]  - [   0.0005164300000000,  0.0013385400000000,  0.0001251700000000 ]  - [  -0.0007907100000000, -0.0000493300000000,  0.0007130900000000 ]  - [   0.0001296700000000,  0.0001507900000000, -0.0000828600000000 ]  - [  -0.0001296700000000,  0.0001507900000000, -0.0000828600000000 ]  - [  -0.0000248200000000, -0.0000684800000000, -0.0001515900000000 ]  - [  -0.0001214000000000, -0.0001397100000000, -0.0001278300000000 ]  - [  -0.0023762100000000, -0.0020725000000000, -0.0010809900000000 ]  - [  -0.0006944300000000, -0.0000650600000000, -0.0008188900000000 ]  - [  -0.0018013000000000, -0.0028505000000000,  0.0013912900000000 ]  - [   0.0018013000000000, -0.0028505000000000,  0.0013912900000000 ]  - [   0.0001214000000000, -0.0001397100000000, -0.0001278300000000 ]  - [   0.0000248200000000, -0.0000684800000000, -0.0001515900000000 ]  - [   0.0003151500000000, -0.0002307300000000,  0.0001866000000000 ]  - [  -0.0003151500000000, -0.0002307300000000,  0.0001866000000000 ]- atom:   33  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0053523800000000,  0.0032750000000000,  0.0000000000000000 ]  - [  -0.0050373200000000, -0.0034401400000000,  0.0000000000000000 ]  - [   0.0043544200000000,  0.0001369500000000,  0.0000000000000000 ]  - [  -0.0019526500000000,  0.0001284400000000,  0.0000000000000000 ]  - [   0.0006238100000000, -0.0001343300000000,  0.0000000000000000 ]  - [  -0.0006136500000000, -0.0001313900000000,  0.0000000000000000 ]  - [  -0.0000151400000000, -0.0008285000000000,  0.0000000000000000 ]  - [  -0.0000055700000000,  0.0010811900000000,  0.0000000000000000 ]  - [  -0.0082229100000000, -0.0040898000000000,  0.0000000000000000 ]  - [  -0.0081681700000000,  0.0041719600000000,  0.0000000000000000 ]  - [   0.0045454500000000, -0.0000480900000000,  0.0000000000000000 ]  - [  -0.0029177300000000, -0.0000457100000000,  0.0000000000000000 ]  - [   0.0007165200000000,  0.0000462300000000,  0.0000000000000000 ]  - [  -0.0007150400000000,  0.0000291800000000,  0.0000000000000000 ]  - [  -0.0000497700000000, -0.0047185900000000,  0.0000000000000000 ]  - [  -0.0000278200000000,  0.0046437500000000,  0.0000000000000000 ]  - [  -0.0005394000000000,  0.0011842400000000,  0.0001803700000000 ]  - [  -0.0005302600000000, -0.0011761200000000,  0.0001969100000000 ]  - [  -0.0005394000000000,  0.0011842400000000, -0.0001803700000000 ]  - [  -0.0005302600000000, -0.0011761200000000, -0.0001969100000000 ]  - [   0.0311352000000000,  0.0001262800000000,  0.0005615400000000 ]  - [  -0.0057090300000000, -0.0000026500000000,  0.0002030400000000 ]  - [   0.0311352000000000,  0.0001262800000000, -0.0005615400000000 ]  - [  -0.0057090300000000, -0.0000026500000000, -0.0002030400000000 ]  - [   0.0021470100000000, -0.0000306200000000,  0.0001839000000000 ]  - [  -0.0024356300000000,  0.0000093800000000,  0.0001907200000000 ]  - [   0.0021470100000000, -0.0000306200000000, -0.0001839000000000 ]  - [  -0.0024356300000000,  0.0000093800000000, -0.0001907200000000 ]  - [   0.0000019700000000,  0.0004112700000000,  0.0001136600000000 ]  - [   0.0000062500000000, -0.0004301100000000,  0.0002681800000000 ]  - [   0.0000019700000000,  0.0004112700000000, -0.0001136600000000 ]  - [   0.0000062500000000, -0.0004301100000000, -0.0002681800000000 ]  - [  -0.0599226400000000, -0.0003483600000000,  0.0000000000000000 ]  - [   0.0033705000000000,  0.0000712600000000,  0.0000000000000000 ]  - [  -0.0002888500000000, -0.0001173200000000,  0.0000000000000000 ]  - [   0.0002687500000000, -0.0001242700000000,  0.0000000000000000 ]  - [   0.0039775200000000, -0.0004860000000000,  0.0178496100000000 ]  - [   0.0041001700000000,  0.0002887400000000,  0.0006238300000000 ]  - [   0.0039775200000000, -0.0004860000000000, -0.0178496100000000 ]  - [   0.0041001700000000,  0.0002887400000000, -0.0006238300000000 ]  - [  -0.0008805600000000,  0.0017720700000000, -0.0000527500000000 ]  - [   0.0012649200000000, -0.0010983600000000,  0.0000820600000000 ]  - [   0.0002148500000000, -0.0006144400000000,  0.0000000000000000 ]  - [   0.0002082500000000,  0.0004571800000000,  0.0000000000000000 ]  - [  -0.0009972100000000, -0.0019228200000000,  0.0002130500000000 ]  - [   0.0011492300000000,  0.0009541000000000,  0.0000843100000000 ]  - [   0.0038514700000000,  0.0006701700000000, -0.0181332100000000 ]  - [   0.0039921400000000, -0.0001409500000000, -0.0008129800000000 ]  - [   0.0000866000000000, -0.0007366100000000,  0.0000426000000000 ]  - [   0.0000821600000000,  0.0007423300000000, -0.0000422300000000 ]  - [  -0.0009972100000000, -0.0019228200000000, -0.0002130500000000 ]  - [   0.0011492300000000,  0.0009541000000000, -0.0000843100000000 ]  - [   0.0038514700000000,  0.0006701700000000,  0.0181332100000000 ]  - [   0.0039921400000000, -0.0001409500000000,  0.0008129800000000 ]  - [   0.0028829400000000,  0.0062236600000000,  0.0000000000000000 ]  - [   0.0028993400000000, -0.0060206400000000,  0.0000000000000000 ]  - [  -0.0008805600000000,  0.0017720700000000,  0.0000527500000000 ]  - [   0.0012649200000000, -0.0010983600000000, -0.0000820600000000 ]  - [   0.0000866000000000, -0.0007366100000000, -0.0000426000000000 ]  - [   0.0000821600000000,  0.0007423300000000,  0.0000422300000000 ]  - [   0.0000013700000000,  0.0000318300000000,  0.0000000000000000 ]  - [  -0.0000025900000000,  0.0001229600000000,  0.0000000000000000 ]  - [  -0.0001060600000000,  0.0031654100000000,  0.0000000000000000 ]  - [  -0.0001143100000000, -0.0034201600000000,  0.0000000000000000 ]  - [  -0.0002176800000000,  0.0000187400000000, -0.0001792000000000 ]  - [   0.0003408500000000,  0.0001280400000000,  0.0000090700000000 ]  - [  -0.0002176800000000,  0.0000187400000000,  0.0001792000000000 ]  - [   0.0003408500000000,  0.0001280400000000, -0.0000090700000000 ]  - [  -0.0014364300000000,  0.0002333600000000,  0.0008751700000000 ]  - [   0.0014690800000000, -0.0003956600000000, -0.0005601100000000 ]  - [  -0.0008439100000000, -0.0000641100000000,  0.0000000000000000 ]  - [   0.0009309100000000, -0.0000782900000000,  0.0000000000000000 ]  - [  -0.0015730100000000, -0.0003751400000000, -0.0007127100000000 ]  - [   0.0013513000000000,  0.0002436100000000,  0.0007306800000000 ]  - [  -0.0003389300000000,  0.0001332700000000,  0.0000095900000000 ]  - [   0.0002218500000000,  0.0000290900000000, -0.0001816300000000 ]  - [  -0.0051636000000000,  0.0000395700000000, -0.0000272400000000 ]  - [   0.0013521400000000, -0.0000032300000000,  0.0000015100000000 ]  - [  -0.0015730100000000, -0.0003751400000000,  0.0007127100000000 ]  - [   0.0013513000000000,  0.0002436100000000, -0.0007306800000000 ]  - [  -0.0003389300000000,  0.0001332700000000, -0.0000095900000000 ]  - [   0.0002218500000000,  0.0000290900000000,  0.0001816300000000 ]  - [  -0.0003067000000000,  0.0001414700000000,  0.0000000000000000 ]  - [   0.0002298400000000,  0.0001256600000000,  0.0000000000000000 ]  - [  -0.0014364300000000,  0.0002333600000000, -0.0008751700000000 ]  - [   0.0014690800000000, -0.0003956600000000,  0.0005601100000000 ]  - [  -0.0051636000000000,  0.0000395700000000,  0.0000272400000000 ]  - [   0.0013521400000000, -0.0000032300000000, -0.0000015100000000 ]- atom:   33  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0032303700000000,  0.0039445400000000,  0.0000000000000000 ]  - [  -0.0032303700000000,  0.0039445400000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0005490600000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0004531700000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0027472800000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0014837100000000,  0.0000000000000000 ]  - [  -0.0011481500000000, -0.0009390700000000,  0.0000000000000000 ]  - [   0.0011481500000000, -0.0009390700000000,  0.0000000000000000 ]  - [   0.0002996300000000,  0.0031800200000000,  0.0000000000000000 ]  - [  -0.0002996300000000,  0.0031800200000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0073872100000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0009859900000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0022193600000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0012386500000000,  0.0000000000000000 ]  - [  -0.0028175000000000, -0.0016448100000000,  0.0000000000000000 ]  - [   0.0028175000000000, -0.0016448100000000,  0.0000000000000000 ]  - [   0.0018336000000000, -0.0014465900000000, -0.0006431000000000 ]  - [  -0.0018336000000000, -0.0014465900000000, -0.0006431000000000 ]  - [   0.0018336000000000, -0.0014465900000000,  0.0006431000000000 ]  - [  -0.0018336000000000, -0.0014465900000000,  0.0006431000000000 ]  - [   0.0000000000000000,  0.0421780900000000,  0.0393685200000000 ]  - [   0.0000000000000000,  0.0022891100000000,  0.0003087300000000 ]  - [   0.0000000000000000,  0.0421780900000000, -0.0393685200000000 ]  - [   0.0000000000000000,  0.0022891100000000, -0.0003087300000000 ]  - [   0.0000000000000000, -0.0099615100000000, -0.0011250700000000 ]  - [   0.0000000000000000,  0.0011397600000000,  0.0007803500000000 ]  - [   0.0000000000000000, -0.0099615100000000,  0.0011250700000000 ]  - [   0.0000000000000000,  0.0011397600000000, -0.0007803500000000 ]  - [  -0.0000900000000000, -0.0019739300000000,  0.0002396400000000 ]  - [   0.0000900000000000, -0.0019739300000000,  0.0002396400000000 ]  - [  -0.0000900000000000, -0.0019739300000000, -0.0002396400000000 ]  - [   0.0000900000000000, -0.0019739300000000, -0.0002396400000000 ]  - [   0.0000000000000000, -0.0847689300000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0010823600000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0015278900000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0008674200000000,  0.0000000000000000 ]  - [  -0.0035378400000000, -0.0066047600000000, -0.0053832800000000 ]  - [   0.0002741800000000, -0.0005818300000000, -0.0002361000000000 ]  - [  -0.0035378400000000, -0.0066047600000000,  0.0053832800000000 ]  - [   0.0002741800000000, -0.0005818300000000,  0.0002361000000000 ]  - [   0.0017959800000000,  0.0016729600000000, -0.0014249400000000 ]  - [  -0.0006039500000000,  0.0001492200000000,  0.0000233600000000 ]  - [  -0.0005363400000000,  0.0000652500000000,  0.0000000000000000 ]  - [   0.0005363400000000,  0.0000652500000000,  0.0000000000000000 ]  - [  -0.0017959800000000,  0.0016729600000000, -0.0014249400000000 ]  - [   0.0006039500000000,  0.0001492200000000,  0.0000233600000000 ]  - [   0.0035378400000000, -0.0066047600000000, -0.0053832800000000 ]  - [  -0.0002741800000000, -0.0005818300000000, -0.0002361000000000 ]  - [  -0.0003195300000000,  0.0018271200000000,  0.0000824400000000 ]  - [   0.0003195300000000,  0.0018271200000000,  0.0000824400000000 ]  - [  -0.0017959800000000,  0.0016729600000000,  0.0014249400000000 ]  - [   0.0006039500000000,  0.0001492200000000, -0.0000233600000000 ]  - [   0.0035378400000000, -0.0066047600000000,  0.0053832800000000 ]  - [  -0.0002741800000000, -0.0005818300000000,  0.0002361000000000 ]  - [   0.0026607400000000,  0.0007810700000000,  0.0000000000000000 ]  - [  -0.0026607400000000,  0.0007810700000000,  0.0000000000000000 ]  - [   0.0017959800000000,  0.0016729600000000,  0.0014249400000000 ]  - [  -0.0006039500000000,  0.0001492200000000, -0.0000233600000000 ]  - [  -0.0003195300000000,  0.0018271200000000, -0.0000824400000000 ]  - [   0.0003195300000000,  0.0018271200000000, -0.0000824400000000 ]  - [   0.0000462200000000,  0.0008780900000000,  0.0000000000000000 ]  - [  -0.0000462200000000,  0.0008780900000000,  0.0000000000000000 ]  - [   0.0009586800000000, -0.0029763500000000,  0.0000000000000000 ]  - [  -0.0009586800000000, -0.0029763500000000,  0.0000000000000000 ]  - [   0.0000320600000000,  0.0010851300000000, -0.0000067500000000 ]  - [   0.0001039100000000,  0.0007926600000000, -0.0000434900000000 ]  - [   0.0000320600000000,  0.0010851300000000,  0.0000067500000000 ]  - [   0.0001039100000000,  0.0007926600000000,  0.0000434900000000 ]  - [   0.0015941700000000,  0.0017217800000000, -0.0003726600000000 ]  - [  -0.0007657100000000,  0.0001768300000000,  0.0006465800000000 ]  - [   0.0000000000000000,  0.0038105900000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0002770900000000,  0.0000000000000000 ]  - [  -0.0015941700000000,  0.0017217800000000, -0.0003726600000000 ]  - [   0.0007657100000000,  0.0001768300000000,  0.0006465800000000 ]  - [  -0.0000320600000000,  0.0010851300000000, -0.0000067500000000 ]  - [  -0.0001039100000000,  0.0007926600000000, -0.0000434900000000 ]  - [   0.0000000000000000,  0.0144641200000000, -0.0152899200000000 ]  - [   0.0000000000000000, -0.0015404900000000, -0.0001277400000000 ]  - [  -0.0015941700000000,  0.0017217800000000,  0.0003726600000000 ]  - [   0.0007657100000000,  0.0001768300000000, -0.0006465800000000 ]  - [  -0.0000320600000000,  0.0010851300000000,  0.0000067500000000 ]  - [  -0.0001039100000000,  0.0007926600000000,  0.0000434900000000 ]  - [   0.0000000000000000,  0.0028325400000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0011599300000000,  0.0000000000000000 ]  - [   0.0015941700000000,  0.0017217800000000,  0.0003726600000000 ]  - [  -0.0007657100000000,  0.0001768300000000, -0.0006465800000000 ]  - [   0.0000000000000000,  0.0144641200000000,  0.0152899200000000 ]  - [   0.0000000000000000, -0.0015404900000000,  0.0001277400000000 ]- atom:   33  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0032636900000000, -0.0041696300000000,  0.0000000000000000 ]  - [   0.0032636900000000, -0.0041696300000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0002573600000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0001884200000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0024841800000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0012241400000000,  0.0000000000000000 ]  - [   0.0011519000000000,  0.0011919500000000,  0.0000000000000000 ]  - [  -0.0011519000000000,  0.0011919500000000,  0.0000000000000000 ]  - [  -0.0003602700000000, -0.0031489100000000,  0.0000000000000000 ]  - [   0.0003602700000000, -0.0031489100000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0072285800000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0009260000000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0023097600000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0013044700000000,  0.0000000000000000 ]  - [   0.0028265800000000,  0.0015511300000000,  0.0000000000000000 ]  - [  -0.0028265800000000,  0.0015511300000000,  0.0000000000000000 ]  - [  -0.0018181800000000,  0.0014660100000000,  0.0010189800000000 ]  - [   0.0018181800000000,  0.0014660100000000,  0.0010189800000000 ]  - [  -0.0018181800000000,  0.0014660100000000, -0.0010189800000000 ]  - [   0.0018181800000000,  0.0014660100000000, -0.0010189800000000 ]  - [   0.0000000000000000, -0.0416116900000000, -0.0390607300000000 ]  - [   0.0000000000000000, -0.0023143200000000,  0.0000864500000000 ]  - [   0.0000000000000000, -0.0416116900000000,  0.0390607300000000 ]  - [   0.0000000000000000, -0.0023143200000000, -0.0000864500000000 ]  - [   0.0000000000000000,  0.0099995500000000,  0.0015160200000000 ]  - [   0.0000000000000000, -0.0011367000000000, -0.0003995300000000 ]  - [   0.0000000000000000,  0.0099995500000000, -0.0015160200000000 ]  - [   0.0000000000000000, -0.0011367000000000,  0.0003995300000000 ]  - [   0.0000931000000000,  0.0019603500000000,  0.0001422400000000 ]  - [  -0.0000931000000000,  0.0019603500000000,  0.0001422400000000 ]  - [   0.0000931000000000,  0.0019603500000000, -0.0001422400000000 ]  - [  -0.0000931000000000,  0.0019603500000000, -0.0001422400000000 ]  - [   0.0000000000000000,  0.0841391600000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0012394300000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0017916600000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0011242200000000,  0.0000000000000000 ]  - [   0.0036792600000000,  0.0067530400000000,  0.0052766700000000 ]  - [  -0.0001673400000000,  0.0007349600000000,  0.0000587300000000 ]  - [   0.0036792600000000,  0.0067530400000000, -0.0052766700000000 ]  - [  -0.0001673400000000,  0.0007349600000000, -0.0000587300000000 ]  - [  -0.0016517700000000, -0.0018123200000000,  0.0015693000000000 ]  - [   0.0007118600000000, -0.0003063000000000,  0.0001525200000000 ]  - [   0.0005357900000000, -0.0002287600000000,  0.0000000000000000 ]  - [  -0.0005357900000000, -0.0002287600000000,  0.0000000000000000 ]  - [   0.0016517700000000, -0.0018123200000000,  0.0015693000000000 ]  - [  -0.0007118600000000, -0.0003063000000000,  0.0001525200000000 ]  - [  -0.0036792600000000,  0.0067530400000000,  0.0052766700000000 ]  - [   0.0001673400000000,  0.0007349600000000,  0.0000587300000000 ]  - [   0.0003180300000000, -0.0018257600000000, -0.0000816500000000 ]  - [  -0.0003180300000000, -0.0018257600000000, -0.0000816500000000 ]  - [   0.0016517700000000, -0.0018123200000000, -0.0015693000000000 ]  - [  -0.0007118600000000, -0.0003063000000000, -0.0001525200000000 ]  - [  -0.0036792600000000,  0.0067530400000000, -0.0052766700000000 ]  - [   0.0001673400000000,  0.0007349600000000, -0.0000587300000000 ]  - [  -0.0026708400000000, -0.0005308800000000,  0.0000000000000000 ]  - [   0.0026708400000000, -0.0005308800000000,  0.0000000000000000 ]  - [  -0.0016517700000000, -0.0018123200000000, -0.0015693000000000 ]  - [   0.0007118600000000, -0.0003063000000000, -0.0001525200000000 ]  - [   0.0003180300000000, -0.0018257600000000,  0.0000816500000000 ]  - [  -0.0003180300000000, -0.0018257600000000,  0.0000816500000000 ]  - [  -0.0000451500000000, -0.0007253400000000,  0.0000000000000000 ]  - [   0.0000451500000000, -0.0007253400000000,  0.0000000000000000 ]  - [  -0.0009619000000000,  0.0027486000000000,  0.0000000000000000 ]  - [   0.0009619000000000,  0.0027486000000000,  0.0000000000000000 ]  - [   0.0000985400000000, -0.0009358700000000, -0.0001572600000000 ]  - [   0.0000115100000000, -0.0006356900000000, -0.0001291400000000 ]  - [   0.0000985400000000, -0.0009358700000000,  0.0001572600000000 ]  - [   0.0000115100000000, -0.0006356900000000,  0.0001291400000000 ]  - [  -0.0014805500000000, -0.0018763800000000,  0.0005472900000000 ]  - [   0.0008871900000000, -0.0003253500000000, -0.0004761700000000 ]  - [   0.0000000000000000, -0.0039819700000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0001261300000000,  0.0000000000000000 ]  - [   0.0014805500000000, -0.0018763800000000,  0.0005472900000000 ]  - [  -0.0008871900000000, -0.0003253500000000, -0.0004761700000000 ]  - [  -0.0000985400000000, -0.0009358700000000, -0.0001572600000000 ]  - [  -0.0000115100000000, -0.0006356900000000, -0.0001291400000000 ]  - [   0.0000000000000000, -0.0146472400000000,  0.0155565200000000 ]  - [   0.0000000000000000,  0.0015497300000000,  0.0001294700000000 ]  - [   0.0014805500000000, -0.0018763800000000, -0.0005472900000000 ]  - [  -0.0008871900000000, -0.0003253500000000,  0.0004761700000000 ]  - [  -0.0000985400000000, -0.0009358700000000,  0.0001572600000000 ]  - [  -0.0000115100000000, -0.0006356900000000,  0.0001291400000000 ]  - [   0.0000000000000000, -0.0025425900000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0009373100000000,  0.0000000000000000 ]  - [  -0.0014805500000000, -0.0018763800000000, -0.0005472900000000 ]  - [   0.0008871900000000, -0.0003253500000000,  0.0004761700000000 ]  - [   0.0000000000000000, -0.0146472400000000, -0.0155565200000000 ]  - [   0.0000000000000000,  0.0015497300000000, -0.0001294700000000 ]- atom:   33  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0000256000000000, -0.0001333800000000,  0.0082637800000000 ]  - [   0.0000256000000000, -0.0001333800000000,  0.0082637800000000 ]  - [   0.0000000000000000,  0.0001101500000000, -0.0058896200000000 ]  - [   0.0000000000000000,  0.0001174800000000, -0.0003930000000000 ]  - [   0.0000000000000000, -0.0001265200000000,  0.0004823500000000 ]  - [   0.0000000000000000, -0.0001255400000000,  0.0000718500000000 ]  - [  -0.0000017700000000,  0.0001366400000000, -0.0006004800000000 ]  - [   0.0000017700000000,  0.0001366400000000, -0.0006004800000000 ]  - [   0.0000175900000000,  0.0000506500000000, -0.0177485500000000 ]  - [  -0.0000175900000000,  0.0000506500000000, -0.0177485500000000 ]  - [   0.0000000000000000, -0.0000111200000000,  0.0036370300000000 ]  - [   0.0000000000000000, -0.0000313800000000,  0.0005496600000000 ]  - [   0.0000000000000000,  0.0000484800000000, -0.0002806800000000 ]  - [   0.0000000000000000,  0.0000363000000000, -0.0001283800000000 ]  - [  -0.0000028300000000, -0.0000514000000000,  0.0019787500000000 ]  - [   0.0000028300000000, -0.0000514000000000,  0.0019787500000000 ]  - [   0.0009925000000000, -0.0006624000000000, -0.0004158500000000 ]  - [  -0.0009925000000000, -0.0006624000000000, -0.0004158500000000 ]  - [  -0.0010019100000000,  0.0006796500000000, -0.0008109900000000 ]  - [   0.0010019100000000,  0.0006796500000000, -0.0008109900000000 ]  - [   0.0000000000000000,  0.0394359400000000,  0.1676816600000000 ]  - [   0.0000000000000000, -0.0001868700000000,  0.0007960900000000 ]  - [   0.0000000000000000, -0.0434016500000000,  0.1801839900000000 ]  - [   0.0000000000000000,  0.0001784500000000,  0.0004385100000000 ]  - [   0.0000000000000000,  0.0132046500000000, -0.0014500500000000 ]  - [   0.0000000000000000,  0.0001322500000000,  0.0000687400000000 ]  - [   0.0000000000000000, -0.0132011400000000, -0.0018306500000000 ]  - [   0.0000000000000000, -0.0001040900000000, -0.0003225600000000 ]  - [  -0.0000461100000000,  0.0001381500000000,  0.0002838400000000 ]  - [   0.0000461100000000,  0.0001381500000000,  0.0002838400000000 ]  - [   0.0000436500000000, -0.0001438900000000, -0.0000963500000000 ]  - [  -0.0000436500000000, -0.0001438900000000, -0.0000963500000000 ]  - [   0.0000000000000000,  0.0041174800000000, -0.5023421600000000 ]  - [   0.0000000000000000,  0.0000829400000000, -0.0003777500000000 ]  - [   0.0000000000000000, -0.0001300400000000,  0.0001285800000000 ]  - [   0.0000000000000000, -0.0001266300000000,  0.0000374800000000 ]  - [   0.0253815800000000,  0.0004489200000000,  0.0375941700000000 ]  - [  -0.0006841600000000,  0.0007579200000000,  0.0006301600000000 ]  - [  -0.0256065100000000, -0.0002765900000000,  0.0381977200000000 ]  - [   0.0008209200000000, -0.0005870700000000,  0.0007704800000000 ]  - [  -0.0003856100000000, -0.0017742000000000, -0.0003258900000000 ]  - [   0.0004064600000000, -0.0001474500000000, -0.0000373900000000 ]  - [   0.0000023500000000, -0.0000751700000000,  0.0008627600000000 ]  - [  -0.0000023500000000, -0.0000751700000000,  0.0008627600000000 ]  - [   0.0003856100000000, -0.0017742000000000, -0.0003258900000000 ]  - [  -0.0004064600000000, -0.0001474500000000, -0.0000373900000000 ]  - [  -0.0253815800000000,  0.0004489200000000,  0.0375941700000000 ]  - [   0.0006841600000000,  0.0007579200000000,  0.0006301600000000 ]  - [  -0.0001774300000000,  0.0003698900000000,  0.0000716200000000 ]  - [   0.0001774300000000,  0.0003698900000000,  0.0000716200000000 ]  - [  -0.0004990500000000,  0.0016099500000000, -0.0005102500000000 ]  - [   0.0002885400000000, -0.0000063300000000, -0.0002186200000000 ]  - [   0.0256065100000000, -0.0002765900000000,  0.0381977200000000 ]  - [  -0.0008209200000000, -0.0005870700000000,  0.0007704800000000 ]  - [   0.0000119500000000,  0.0001383200000000, -0.0014231700000000 ]  - [  -0.0000119500000000,  0.0001383200000000, -0.0014231700000000 ]  - [   0.0004990500000000,  0.0016099500000000, -0.0005102500000000 ]  - [  -0.0002885400000000, -0.0000063300000000, -0.0002186200000000 ]  - [   0.0001818400000000, -0.0003766400000000,  0.0000730300000000 ]  - [  -0.0001818400000000, -0.0003766400000000,  0.0000730300000000 ]  - [   0.0000017900000000,  0.0000746000000000, -0.0001325000000000 ]  - [  -0.0000017900000000,  0.0000746000000000, -0.0001325000000000 ]  - [   0.0000034800000000, -0.0001560700000000,  0.0009713900000000 ]  - [  -0.0000034800000000, -0.0001560700000000,  0.0009713900000000 ]  - [   0.0001071300000000,  0.0001632400000000,  0.0000073300000000 ]  - [   0.0001143200000000,  0.0000409400000000, -0.0000537600000000 ]  - [   0.0000204000000000, -0.0000166700000000,  0.0001707200000000 ]  - [   0.0000033800000000,  0.0001118500000000,  0.0001177600000000 ]  - [   0.0015111200000000,  0.0019277000000000, -0.0007160100000000 ]  - [  -0.0000017500000000, -0.0001064600000000,  0.0000225500000000 ]  - [   0.0000000000000000, -0.0000757100000000,  0.0050219500000000 ]  - [   0.0000000000000000, -0.0000802500000000,  0.0000927200000000 ]  - [  -0.0015111200000000,  0.0019277000000000, -0.0007160100000000 ]  - [   0.0000017500000000, -0.0001064600000000,  0.0000225500000000 ]  - [  -0.0001071300000000,  0.0001632400000000,  0.0000073300000000 ]  - [  -0.0001143200000000,  0.0000409400000000, -0.0000537600000000 ]  - [   0.0000000000000000, -0.0229061000000000,  0.0111775200000000 ]  - [   0.0000000000000000, -0.0002839800000000, -0.0000292200000000 ]  - [   0.0013932900000000, -0.0020846300000000, -0.0008926500000000 ]  - [  -0.0001167600000000, -0.0000488300000000, -0.0001550300000000 ]  - [  -0.0000204000000000, -0.0000166700000000,  0.0001707200000000 ]  - [  -0.0000033800000000,  0.0001118500000000,  0.0001177600000000 ]  - [   0.0000000000000000,  0.0001302000000000, -0.0001827800000000 ]  - [   0.0000000000000000,  0.0001099200000000, -0.0000400000000000 ]  - [  -0.0013932900000000, -0.0020846300000000, -0.0008926500000000 ]  - [   0.0001167600000000, -0.0000488300000000, -0.0001550300000000 ]  - [   0.0000000000000000,  0.0228084000000000,  0.0111647000000000 ]  - [   0.0000000000000000,  0.0002759600000000, -0.0000230300000000 ]- atom:   35  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0001464900000000, -0.0007954800000000,  0.0000000000000000 ]  - [  -0.0001457400000000,  0.0005448400000000,  0.0000000000000000 ]  - [   0.0048401100000000,  0.0001493900000000,  0.0000000000000000 ]  - [  -0.0018990000000000,  0.0001294400000000,  0.0000000000000000 ]  - [   0.0015251600000000, -0.0001275100000000,  0.0000000000000000 ]  - [  -0.0009583500000000, -0.0001314100000000,  0.0000000000000000 ]  - [  -0.0002375900000000,  0.0007850000000000,  0.0000000000000000 ]  - [  -0.0002268000000000, -0.0005168500000000,  0.0000000000000000 ]  - [   0.0000062100000000, -0.0002780000000000,  0.0000000000000000 ]  - [   0.0000113300000000,  0.0003640100000000,  0.0000000000000000 ]  - [   0.0051180100000000, -0.0000572200000000,  0.0000000000000000 ]  - [  -0.0029480200000000, -0.0000387300000000,  0.0000000000000000 ]  - [   0.0338421400000000, -0.0009807600000000,  0.0000000000000000 ]  - [  -0.0026957500000000,  0.0000156600000000,  0.0000000000000000 ]  - [  -0.0001253900000000,  0.0001302700000000,  0.0000000000000000 ]  - [  -0.0001183100000000, -0.0002034600000000,  0.0000000000000000 ]  - [  -0.0032731500000000, -0.0041482700000000, -0.0035713000000000 ]  - [  -0.0032986600000000,  0.0041794500000000,  0.0039981300000000 ]  - [  -0.0032731500000000, -0.0041482700000000,  0.0035713000000000 ]  - [  -0.0032986600000000,  0.0041794500000000, -0.0039981300000000 ]  - [   0.0005299700000000, -0.0000046700000000,  0.0001925900000000 ]  - [  -0.0005392000000000, -0.0000053500000000,  0.0001924900000000 ]  - [   0.0005299700000000, -0.0000046700000000, -0.0001925900000000 ]  - [  -0.0005392000000000, -0.0000053500000000, -0.0001924900000000 ]  - [   0.0006409200000000,  0.0000118200000000,  0.0001887700000000 ]  - [  -0.0004510800000000,  0.0000098600000000,  0.0001916900000000 ]  - [   0.0006409200000000,  0.0000118200000000, -0.0001887700000000 ]  - [  -0.0004510800000000,  0.0000098600000000, -0.0001916900000000 ]  - [  -0.0017129100000000,  0.0041750600000000,  0.0019847700000000 ]  - [  -0.0016769200000000, -0.0042437900000000, -0.0016042700000000 ]  - [  -0.0017129100000000,  0.0041750600000000, -0.0019847700000000 ]  - [  -0.0016769200000000, -0.0042437900000000,  0.0016042700000000 ]  - [  -0.0002879500000000,  0.0000765700000000,  0.0000000000000000 ]  - [   0.0002681500000000,  0.0000774200000000,  0.0000000000000000 ]  - [  -0.0287481300000000,  0.0008217700000000,  0.0000000000000000 ]  - [   0.0010094600000000, -0.0001159000000000,  0.0000000000000000 ]  - [  -0.0002350300000000,  0.0002389000000000, -0.0000523100000000 ]  - [   0.0003290800000000, -0.0000961400000000, -0.0000574500000000 ]  - [  -0.0002350300000000,  0.0002389000000000,  0.0000523100000000 ]  - [   0.0003290800000000, -0.0000961400000000,  0.0000574500000000 ]  - [  -0.0010545400000000, -0.0014500900000000,  0.0019664600000000 ]  - [   0.0015558100000000,  0.0003948300000000, -0.0007065900000000 ]  - [   0.0028689600000000,  0.0025686100000000,  0.0000000000000000 ]  - [   0.0029136500000000, -0.0027635500000000,  0.0000000000000000 ]  - [  -0.0011716700000000,  0.0012881600000000, -0.0017891400000000 ]  - [   0.0014429500000000, -0.0005497800000000,  0.0008843700000000 ]  - [  -0.0003563900000000, -0.0000852000000000, -0.0001180500000000 ]  - [   0.0002126500000000,  0.0002476100000000, -0.0001123000000000 ]  - [   0.0028401600000000, -0.0008523000000000,  0.0027616300000000 ]  - [   0.0028716300000000,  0.0008892200000000, -0.0028016100000000 ]  - [  -0.0011716700000000,  0.0012881600000000,  0.0017891400000000 ]  - [   0.0014429500000000, -0.0005497800000000, -0.0008843700000000 ]  - [  -0.0003563900000000, -0.0000852000000000,  0.0001180500000000 ]  - [   0.0002126500000000,  0.0002476100000000,  0.0001123000000000 ]  - [   0.0000039000000000,  0.0001196900000000,  0.0000000000000000 ]  - [   0.0000024000000000,  0.0001225200000000,  0.0000000000000000 ]  - [  -0.0010545400000000, -0.0014500900000000, -0.0019664600000000 ]  - [   0.0015558100000000,  0.0003948300000000,  0.0007065900000000 ]  - [   0.0028401600000000, -0.0008523000000000, -0.0027616300000000 ]  - [   0.0028716300000000,  0.0008892200000000,  0.0028016100000000 ]  - [  -0.0001022400000000, -0.0008783800000000,  0.0000000000000000 ]  - [  -0.0001181100000000,  0.0010417300000000,  0.0000000000000000 ]  - [   0.0000085800000000, -0.0001141000000000,  0.0000000000000000 ]  - [   0.0000072600000000, -0.0001361100000000,  0.0000000000000000 ]  - [  -0.0028322300000000,  0.0051007900000000, -0.0007772400000000 ]  - [   0.0012996400000000, -0.0004702700000000,  0.0002211400000000 ]  - [  -0.0028322300000000,  0.0051007900000000,  0.0007772400000000 ]  - [   0.0012996400000000, -0.0004702700000000, -0.0002211400000000 ]  - [  -0.0001784400000000, -0.0003989000000000,  0.0000258400000000 ]  - [   0.0003006100000000,  0.0000324700000000,  0.0000763000000000 ]  - [  -0.0003064700000000, -0.0000800300000000,  0.0000000000000000 ]  - [   0.0002298200000000, -0.0000788500000000,  0.0000000000000000 ]  - [  -0.0003040700000000,  0.0002409800000000,  0.0001406700000000 ]  - [   0.0001804700000000, -0.0001864300000000,  0.0000929800000000 ]  - [  -0.0028794700000000, -0.0049055600000000,  0.0005909700000000 ]  - [   0.0011715100000000,  0.0006326200000000, -0.0003914200000000 ]  - [  -0.0001818100000000, -0.0000033500000000,  0.0000001800000000 ]  - [   0.0001546100000000, -0.0000024500000000, -0.0000001500000000 ]  - [  -0.0003040700000000,  0.0002409800000000, -0.0001406700000000 ]  - [   0.0001804700000000, -0.0001864300000000, -0.0000929800000000 ]  - [  -0.0028794700000000, -0.0049055600000000, -0.0005909700000000 ]  - [   0.0011715100000000,  0.0006326200000000,  0.0003914200000000 ]  - [  -0.0012672500000000,  0.0001483100000000,  0.0000000000000000 ]  - [   0.0009075600000000,  0.0001226500000000,  0.0000000000000000 ]  - [  -0.0001784400000000, -0.0003989000000000, -0.0000258400000000 ]  - [   0.0003006100000000,  0.0000324700000000, -0.0000763000000000 ]  - [  -0.0001818100000000, -0.0000033500000000, -0.0000001800000000 ]  - [   0.0001546100000000, -0.0000024500000000,  0.0000001500000000 ]- atom:   35  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0013761000000000, -0.0030009800000000,  0.0000000000000000 ]  - [   0.0013761000000000, -0.0030009800000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0107297200000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0000254200000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0001812100000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0002193700000000,  0.0000000000000000 ]  - [   0.0027368000000000, -0.0043686700000000,  0.0000000000000000 ]  - [  -0.0027368000000000, -0.0043686700000000,  0.0000000000000000 ]  - [  -0.0018559000000000, -0.0038646100000000,  0.0000000000000000 ]  - [   0.0018559000000000, -0.0038646100000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0033495400000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0034475200000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.3767544100000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0051999400000000,  0.0000000000000000 ]  - [   0.0015671100000000, -0.0035081600000000,  0.0000000000000000 ]  - [  -0.0015671100000000, -0.0035081600000000,  0.0000000000000000 ]  - [  -0.0092781400000000,  0.0041615000000000, -0.0043653700000000 ]  - [   0.0092781400000000,  0.0041615000000000, -0.0043653700000000 ]  - [  -0.0092781400000000,  0.0041615000000000,  0.0043653700000000 ]  - [   0.0092781400000000,  0.0041615000000000,  0.0043653700000000 ]  - [   0.0000000000000000, -0.0050288200000000,  0.0008632200000000 ]  - [   0.0000000000000000, -0.0028609700000000,  0.0005343800000000 ]  - [   0.0000000000000000, -0.0050288200000000, -0.0008632200000000 ]  - [   0.0000000000000000, -0.0028609700000000, -0.0005343800000000 ]  - [   0.0000000000000000, -0.0051443400000000,  0.0010485600000000 ]  - [   0.0000000000000000, -0.0028515900000000, -0.0000174700000000 ]  - [   0.0000000000000000, -0.0051443400000000, -0.0010485600000000 ]  - [   0.0000000000000000, -0.0028515900000000,  0.0000174700000000 ]  - [   0.0099375200000000,  0.0135395400000000, -0.0027950700000000 ]  - [  -0.0099375200000000,  0.0135395400000000, -0.0027950700000000 ]  - [   0.0099375200000000,  0.0135395400000000,  0.0027950700000000 ]  - [  -0.0099375200000000,  0.0135395400000000,  0.0027950700000000 ]  - [   0.0000000000000000,  0.0017463100000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0010707000000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.3876334600000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0049424000000000,  0.0000000000000000 ]  - [   0.0011096500000000,  0.0028488900000000, -0.0004575200000000 ]  - [  -0.0003833500000000,  0.0010563500000000, -0.0001582000000000 ]  - [   0.0011096500000000,  0.0028488900000000,  0.0004575200000000 ]  - [  -0.0003833500000000,  0.0010563500000000,  0.0001582000000000 ]  - [  -0.0033802900000000,  0.0013798600000000, -0.0036640200000000 ]  - [   0.0020559500000000, -0.0008100100000000, -0.0007560400000000 ]  - [   0.0060983900000000,  0.0005765500000000,  0.0000000000000000 ]  - [  -0.0060983900000000,  0.0005765500000000,  0.0000000000000000 ]  - [   0.0033802900000000,  0.0013798600000000, -0.0036640200000000 ]  - [  -0.0020559500000000, -0.0008100100000000, -0.0007560400000000 ]  - [  -0.0011096500000000,  0.0028488900000000, -0.0004575200000000 ]  - [   0.0003833500000000,  0.0010563500000000, -0.0001582000000000 ]  - [   0.0015251700000000, -0.0100434800000000,  0.0016799700000000 ]  - [  -0.0015251700000000, -0.0100434800000000,  0.0016799700000000 ]  - [   0.0033802900000000,  0.0013798600000000,  0.0036640200000000 ]  - [  -0.0020559500000000, -0.0008100100000000,  0.0007560400000000 ]  - [  -0.0011096500000000,  0.0028488900000000,  0.0004575200000000 ]  - [   0.0003833500000000,  0.0010563500000000,  0.0001582000000000 ]  - [  -0.0000042100000000,  0.0032791300000000,  0.0000000000000000 ]  - [   0.0000042100000000,  0.0032791300000000,  0.0000000000000000 ]  - [  -0.0033802900000000,  0.0013798600000000,  0.0036640200000000 ]  - [   0.0020559500000000, -0.0008100100000000,  0.0007560400000000 ]  - [   0.0015251700000000, -0.0100434800000000, -0.0016799700000000 ]  - [  -0.0015251700000000, -0.0100434800000000, -0.0016799700000000 ]  - [  -0.0033160000000000, -0.0028017300000000,  0.0000000000000000 ]  - [   0.0033160000000000, -0.0028017300000000,  0.0000000000000000 ]  - [  -0.0000251200000000,  0.0032774900000000,  0.0000000000000000 ]  - [   0.0000251200000000,  0.0032774900000000,  0.0000000000000000 ]  - [   0.0175185900000000,  0.0006090000000000,  0.0137018300000000 ]  - [  -0.0032078200000000, -0.0015350900000000, -0.0005162300000000 ]  - [   0.0175185900000000,  0.0006090000000000, -0.0137018300000000 ]  - [  -0.0032078200000000, -0.0015350900000000,  0.0005162300000000 ]  - [  -0.0005456300000000,  0.0023377300000000,  0.0008076600000000 ]  - [   0.0004930000000000,  0.0008489900000000,  0.0001780700000000 ]  - [   0.0000000000000000,  0.0026233800000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0009706300000000,  0.0000000000000000 ]  - [   0.0005456300000000,  0.0023377300000000,  0.0008076600000000 ]  - [  -0.0004930000000000,  0.0008489900000000,  0.0001780700000000 ]  - [  -0.0175185900000000,  0.0006090000000000,  0.0137018300000000 ]  - [   0.0032078200000000, -0.0015350900000000, -0.0005162300000000 ]  - [   0.0000000000000000,  0.0045061900000000, -0.0001557000000000 ]  - [   0.0000000000000000,  0.0026759700000000,  0.0000476700000000 ]  - [   0.0005456300000000,  0.0023377300000000, -0.0008076600000000 ]  - [  -0.0004930000000000,  0.0008489900000000, -0.0001780700000000 ]  - [  -0.0175185900000000,  0.0006090000000000, -0.0137018300000000 ]  - [   0.0032078200000000, -0.0015350900000000,  0.0005162300000000 ]  - [   0.0000000000000000, -0.0075565300000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0037078700000000,  0.0000000000000000 ]  - [  -0.0005456300000000,  0.0023377300000000, -0.0008076600000000 ]  - [   0.0004930000000000,  0.0008489900000000, -0.0001780700000000 ]  - [   0.0000000000000000,  0.0045061900000000,  0.0001557000000000 ]  - [   0.0000000000000000,  0.0026759700000000, -0.0000476700000000 ]- atom:   35  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0013803100000000,  0.0027218800000000,  0.0000000000000000 ]  - [  -0.0013803100000000,  0.0027218800000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0105365500000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0002171000000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0000467600000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0004633500000000,  0.0000000000000000 ]  - [  -0.0027128800000000,  0.0046200300000000,  0.0000000000000000 ]  - [   0.0027128800000000,  0.0046200300000000,  0.0000000000000000 ]  - [   0.0018736200000000,  0.0039306800000000,  0.0000000000000000 ]  - [  -0.0018736200000000,  0.0039306800000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0035552000000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0035251000000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.3549829900000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0051015900000000,  0.0000000000000000 ]  - [  -0.0015584800000000,  0.0034221300000000,  0.0000000000000000 ]  - [   0.0015584800000000,  0.0034221300000000,  0.0000000000000000 ]  - [   0.0092689300000000, -0.0042201100000000,  0.0047534700000000 ]  - [  -0.0092689300000000, -0.0042201100000000,  0.0047534700000000 ]  - [   0.0092689300000000, -0.0042201100000000, -0.0047534700000000 ]  - [  -0.0092689300000000, -0.0042201100000000, -0.0047534700000000 ]  - [   0.0000000000000000,  0.0050131900000000, -0.0004904200000000 ]  - [   0.0000000000000000,  0.0028376500000000, -0.0001519200000000 ]  - [   0.0000000000000000,  0.0050131900000000,  0.0004904200000000 ]  - [   0.0000000000000000,  0.0028376500000000,  0.0001519200000000 ]  - [   0.0000000000000000,  0.0051465800000000, -0.0006471300000000 ]  - [   0.0000000000000000,  0.0028642200000000,  0.0003996800000000 ]  - [   0.0000000000000000,  0.0051465800000000,  0.0006471300000000 ]  - [   0.0000000000000000,  0.0028642200000000, -0.0003996800000000 ]  - [  -0.0099376000000000, -0.0134311600000000,  0.0031978400000000 ]  - [   0.0099376000000000, -0.0134311600000000,  0.0031978400000000 ]  - [  -0.0099376000000000, -0.0134311600000000, -0.0031978400000000 ]  - [   0.0099376000000000, -0.0134311600000000, -0.0031978400000000 ]  - [   0.0000000000000000, -0.0015833600000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0009089700000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.3664423700000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0046600200000000,  0.0000000000000000 ]  - [  -0.0010054800000000, -0.0026987400000000,  0.0002950200000000 ]  - [   0.0005032300000000, -0.0008941000000000, -0.0000104200000000 ]  - [  -0.0010054800000000, -0.0026987400000000, -0.0002950200000000 ]  - [   0.0005032300000000, -0.0008941000000000,  0.0000104200000000 ]  - [   0.0035046800000000, -0.0015188600000000,  0.0038699400000000 ]  - [  -0.0019364700000000,  0.0006688500000000,  0.0009306900000000 ]  - [  -0.0061290400000000, -0.0007219700000000,  0.0000000000000000 ]  - [   0.0061290400000000, -0.0007219700000000,  0.0000000000000000 ]  - [  -0.0035046800000000, -0.0015188600000000,  0.0038699400000000 ]  - [   0.0019364700000000,  0.0006688500000000,  0.0009306900000000 ]  - [   0.0010054800000000, -0.0026987400000000,  0.0002950200000000 ]  - [  -0.0005032300000000, -0.0008941000000000, -0.0000104200000000 ]  - [  -0.0014804700000000,  0.0100232300000000, -0.0016458600000000 ]  - [   0.0014804700000000,  0.0100232300000000, -0.0016458600000000 ]  - [  -0.0035046800000000, -0.0015188600000000, -0.0038699400000000 ]  - [   0.0019364700000000,  0.0006688500000000, -0.0009306900000000 ]  - [   0.0010054800000000, -0.0026987400000000, -0.0002950200000000 ]  - [  -0.0005032300000000, -0.0008941000000000,  0.0000104200000000 ]  - [   0.0000033200000000, -0.0030240500000000,  0.0000000000000000 ]  - [  -0.0000033200000000, -0.0030240500000000,  0.0000000000000000 ]  - [   0.0035046800000000, -0.0015188600000000, -0.0038699400000000 ]  - [  -0.0019364700000000,  0.0006688500000000, -0.0009306900000000 ]  - [  -0.0014804700000000,  0.0100232300000000,  0.0016458600000000 ]  - [   0.0014804700000000,  0.0100232300000000,  0.0016458600000000 ]  - [   0.0032973900000000,  0.0029289700000000,  0.0000000000000000 ]  - [  -0.0032973900000000,  0.0029289700000000,  0.0000000000000000 ]  - [   0.0000238400000000, -0.0035261300000000,  0.0000000000000000 ]  - [  -0.0000238400000000, -0.0035261300000000,  0.0000000000000000 ]  - [  -0.0172414300000000, -0.0005356900000000, -0.0137342500000000 ]  - [   0.0033134600000000,  0.0016741400000000,  0.0003431600000000 ]  - [  -0.0172414300000000, -0.0005356900000000,  0.0137342500000000 ]  - [   0.0033134600000000,  0.0016741400000000, -0.0003431600000000 ]  - [   0.0006583300000000, -0.0024906200000000, -0.0006291300000000 ]  - [  -0.0003728300000000, -0.0010045400000000, -0.0000051600000000 ]  - [   0.0000000000000000, -0.0027598900000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0011273500000000,  0.0000000000000000 ]  - [  -0.0006583300000000, -0.0024906200000000, -0.0006291300000000 ]  - [   0.0003728300000000, -0.0010045400000000, -0.0000051600000000 ]  - [   0.0172414300000000, -0.0005356900000000, -0.0137342500000000 ]  - [  -0.0033134600000000,  0.0016741400000000,  0.0003431600000000 ]  - [   0.0000000000000000, -0.0045017400000000,  0.0001528000000000 ]  - [   0.0000000000000000, -0.0026720200000000, -0.0000478200000000 ]  - [  -0.0006583300000000, -0.0024906200000000,  0.0006291300000000 ]  - [   0.0003728300000000, -0.0010045400000000,  0.0000051600000000 ]  - [   0.0172414300000000, -0.0005356900000000,  0.0137342500000000 ]  - [  -0.0033134600000000,  0.0016741400000000, -0.0003431600000000 ]  - [   0.0000000000000000,  0.0078823100000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0039477500000000,  0.0000000000000000 ]  - [   0.0006583300000000, -0.0024906200000000,  0.0006291300000000 ]  - [  -0.0003728300000000, -0.0010045400000000,  0.0000051600000000 ]  - [   0.0000000000000000, -0.0045017400000000, -0.0001528000000000 ]  - [   0.0000000000000000, -0.0026720200000000,  0.0000478200000000 ]- atom:   35  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000021300000000, -0.0001245200000000, -0.0003883200000000 ]  - [  -0.0000021300000000, -0.0001245200000000, -0.0003883200000000 ]  - [   0.0000000000000000,  0.0001521800000000,  0.0039517800000000 ]  - [   0.0000000000000000,  0.0001272500000000,  0.0002640500000000 ]  - [   0.0000000000000000, -0.0001360200000000, -0.0019309300000000 ]  - [   0.0000000000000000, -0.0001289800000000, -0.0002684900000000 ]  - [  -0.0000042600000000,  0.0001339500000000,  0.0005176900000000 ]  - [   0.0000042600000000,  0.0001339500000000,  0.0005176900000000 ]  - [  -0.0000006100000000,  0.0000412200000000,  0.0001361900000000 ]  - [   0.0000006100000000,  0.0000412200000000,  0.0001361900000000 ]  - [   0.0000000000000000, -0.0000214900000000, -0.0073681100000000 ]  - [   0.0000000000000000, -0.0000372100000000, -0.0009544400000000 ]  - [   0.0000000000000000, -0.0009949800000000,  0.0297090400000000 ]  - [   0.0000000000000000,  0.0000275200000000,  0.0008770600000000 ]  - [  -0.0000030500000000, -0.0000407200000000, -0.0002345700000000 ]  - [   0.0000030500000000, -0.0000407200000000, -0.0002345700000000 ]  - [  -0.0028423300000000, -0.0022026400000000,  0.0006622100000000 ]  - [   0.0028423300000000, -0.0022026400000000,  0.0006622100000000 ]  - [   0.0028750200000000,  0.0022095900000000,  0.0002874400000000 ]  - [  -0.0028750200000000,  0.0022095900000000,  0.0002874400000000 ]  - [   0.0000000000000000,  0.0000782800000000,  0.0001320900000000 ]  - [   0.0000000000000000,  0.0000178300000000,  0.0001663000000000 ]  - [   0.0000000000000000, -0.0000858700000000, -0.0002546200000000 ]  - [   0.0000000000000000, -0.0000297100000000, -0.0002190700000000 ]  - [   0.0000000000000000,  0.0001521000000000,  0.0003128700000000 ]  - [   0.0000000000000000,  0.0000347000000000,  0.0002219200000000 ]  - [   0.0000000000000000, -0.0001283900000000, -0.0000661400000000 ]  - [   0.0000000000000000, -0.0000153300000000, -0.0001621800000000 ]  - [   0.0023719900000000, -0.0018831100000000, -0.0012005800000000 ]  - [  -0.0023719900000000, -0.0018831100000000, -0.0012005800000000 ]  - [  -0.0023936100000000,  0.0018379900000000, -0.0015916700000000 ]  - [   0.0023936100000000,  0.0018379900000000, -0.0015916700000000 ]  - [   0.0000000000000000,  0.0000767400000000,  0.0001285100000000 ]  - [   0.0000000000000000,  0.0000783700000000,  0.0000374600000000 ]  - [   0.0000000000000000,  0.0008205000000000, -0.0304730300000000 ]  - [   0.0000000000000000, -0.0001204600000000, -0.0002403800000000 ]  - [   0.0000584700000000, -0.0000014000000000, -0.0001911200000000 ]  - [   0.0000505600000000,  0.0000383700000000, -0.0001025200000000 ]  - [   0.0000591300000000,  0.0001550500000000, -0.0000178200000000 ]  - [   0.0000651900000000,  0.0001160600000000,  0.0000689600000000 ]  - [   0.0010512000000000, -0.0018494800000000,  0.0020868900000000 ]  - [  -0.0004973600000000, -0.0003117100000000,  0.0002221900000000 ]  - [   0.0000004300000000, -0.0000770400000000, -0.0014229500000000 ]  - [  -0.0000004300000000, -0.0000770400000000, -0.0014229500000000 ]  - [  -0.0010512000000000, -0.0018494800000000,  0.0020868900000000 ]  - [   0.0004973600000000, -0.0003117100000000,  0.0002221900000000 ]  - [  -0.0000584700000000, -0.0000014000000000, -0.0001911200000000 ]  - [  -0.0000505600000000,  0.0000383700000000, -0.0001025200000000 ]  - [   0.0020968300000000, -0.0004039900000000,  0.0009723900000000 ]  - [  -0.0020968300000000, -0.0004039900000000,  0.0009723900000000 ]  - [   0.0009005800000000,  0.0016699100000000,  0.0019120000000000 ]  - [  -0.0006038200000000,  0.0001607100000000,  0.0000457800000000 ]  - [  -0.0000591300000000,  0.0001550500000000, -0.0000178200000000 ]  - [  -0.0000651900000000,  0.0001160600000000,  0.0000689600000000 ]  - [   0.0000006100000000,  0.0001174500000000,  0.0000104700000000 ]  - [  -0.0000006100000000,  0.0001174500000000,  0.0000104700000000 ]  - [  -0.0009005800000000,  0.0016699100000000,  0.0019120000000000 ]  - [   0.0006038200000000,  0.0001607100000000,  0.0000457800000000 ]  - [  -0.0021134200000000,  0.0004324300000000,  0.0009771300000000 ]  - [   0.0021134200000000,  0.0004324300000000,  0.0009771300000000 ]  - [   0.0000052000000000,  0.0000807200000000,  0.0009713500000000 ]  - [  -0.0000052000000000,  0.0000807200000000,  0.0009713500000000 ]  - [   0.0000004900000000, -0.0001266800000000, -0.0000137700000000 ]  - [  -0.0000004900000000, -0.0001266800000000, -0.0000137700000000 ]  - [   0.0000018600000000,  0.0050761700000000, -0.0017307600000000 ]  - [  -0.0003729600000000,  0.0003075800000000, -0.0002357400000000 ]  - [   0.0001015800000000, -0.0048761800000000, -0.0015110000000000 ]  - [   0.0004968300000000, -0.0001480000000000, -0.0000643900000000 ]  - [   0.0000315500000000,  0.0001419000000000,  0.0002108500000000 ]  - [   0.0000572900000000, -0.0000341900000000,  0.0001029100000000 ]  - [   0.0000000000000000, -0.0000794400000000, -0.0001826000000000 ]  - [   0.0000000000000000, -0.0000783600000000, -0.0000397800000000 ]  - [  -0.0000315500000000,  0.0001419000000000,  0.0002108500000000 ]  - [  -0.0000572900000000, -0.0000341900000000,  0.0001029100000000 ]  - [  -0.0000018600000000,  0.0050761700000000, -0.0017307600000000 ]  - [   0.0003729600000000,  0.0003075800000000, -0.0002357400000000 ]  - [   0.0000000000000000, -0.0000417200000000, -0.0000104000000000 ]  - [   0.0000000000000000, -0.0000048300000000, -0.0000007300000000 ]  - [  -0.0000907000000000, -0.0002987200000000,  0.0000409900000000 ]  - [  -0.0000605300000000, -0.0001186400000000, -0.0000694000000000 ]  - [  -0.0001015800000000, -0.0048761800000000, -0.0015110000000000 ]  - [  -0.0004968300000000, -0.0001480000000000, -0.0000643900000000 ]  - [   0.0000000000000000,  0.0001404300000000,  0.0052094400000000 ]  - [   0.0000000000000000,  0.0001168100000000,  0.0002698800000000 ]  - [   0.0000907000000000, -0.0002987200000000,  0.0000409900000000 ]  - [   0.0000605300000000, -0.0001186400000000, -0.0000694000000000 ]  - [   0.0000000000000000,  0.0000347000000000, -0.0000108000000000 ]  - [   0.0000000000000000,  0.0000012200000000, -0.0000004400000000 ]- atom:   37  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0087095700000000,  0.0007146900000000,  0.0002378900000000 ]  - [  -0.0056140500000000, -0.0017968800000000, -0.0031375000000000 ]  - [   0.0044576500000000, -0.0054152400000000,  0.0042451200000000 ]  - [  -0.0032914800000000,  0.0027452600000000, -0.0003658000000000 ]  - [   0.0006575200000000,  0.0000538200000000, -0.0002021200000000 ]  - [  -0.0006223200000000, -0.0003929000000000, -0.0000155000000000 ]  - [   0.0009624300000000, -0.0031899000000000,  0.0001395000000000 ]  - [  -0.0010427400000000,  0.0012132400000000,  0.0002756800000000 ]  - [   0.0353234000000000,  0.0108528200000000,  0.0177586000000000 ]  - [  -0.0159224700000000,  0.0035879500000000,  0.0104726200000000 ]  - [   0.0028387400000000, -0.0019440700000000, -0.0008878100000000 ]  - [  -0.0028488600000000,  0.0007823000000000,  0.0000473400000000 ]  - [   0.0008073100000000, -0.0004418000000000,  0.0001131900000000 ]  - [  -0.0007909800000000,  0.0001826700000000,  0.0000406100000000 ]  - [   0.0025148200000000, -0.0032907800000000, -0.0005507000000000 ]  - [  -0.0027028600000000,  0.0020744300000000, -0.0008937100000000 ]  - [   0.0019565200000000,  0.0011581700000000, -0.0009376700000000 ]  - [  -0.0018211100000000, -0.0007314900000000,  0.0007603300000000 ]  - [   0.0024493400000000,  0.0024830500000000,  0.0012045900000000 ]  - [  -0.0025569300000000, -0.0013844500000000, -0.0003255900000000 ]  - [   0.1901320500000000, -0.0726820700000000,  0.0716139000000000 ]  - [  -0.0140152900000000, -0.0034959600000000,  0.0039371700000000 ]  - [   0.0099162900000000,  0.0014424900000000, -0.0101420700000000 ]  - [  -0.0102284600000000, -0.0024307800000000, -0.0013108300000000 ]  - [   0.0029547400000000,  0.0019058100000000,  0.0007750500000000 ]  - [  -0.0030300400000000, -0.0021872500000000, -0.0005349300000000 ]  - [   0.0041807400000000,  0.0118501100000000,  0.0021356100000000 ]  - [  -0.0029762200000000, -0.0027456800000000,  0.0004387900000000 ]  - [   0.0006079900000000,  0.0002077000000000,  0.0001271900000000 ]  - [  -0.0006313100000000, -0.0004237200000000,  0.0002249900000000 ]  - [   0.0005740800000000,  0.0002863000000000, -0.0001845700000000 ]  - [  -0.0005748600000000, -0.0003528300000000, -0.0002990100000000 ]  - [   0.0038640200000000, -0.0035481700000000,  0.0255303600000000 ]  - [   0.0040518700000000,  0.0003014600000000, -0.0007441300000000 ]  - [  -0.0003004000000000,  0.0009384300000000, -0.0000000500000000 ]  - [   0.0002763600000000, -0.0005662300000000, -0.0000074000000000 ]  - [  -0.2956495800000000,  0.0815181200000000, -0.1278710400000000 ]  - [   0.0117352900000000,  0.0005371000000000,  0.0018542600000000 ]  - [  -0.0143331700000000, -0.0007247700000000,  0.0067550700000000 ]  - [   0.0070348000000000,  0.0010731800000000, -0.0023662400000000 ]  - [   0.0003961900000000,  0.0022899500000000,  0.0009273100000000 ]  - [   0.0004126900000000, -0.0020502300000000, -0.0005322700000000 ]  - [  -0.0009299900000000, -0.0017996400000000,  0.0004444900000000 ]  - [   0.0012017700000000,  0.0005828300000000, -0.0003487700000000 ]  - [  -0.0044984100000000, -0.0002636900000000, -0.0006896800000000 ]  - [   0.0018998200000000,  0.0002406600000000,  0.0004270900000000 ]  - [   0.0408513200000000, -0.0052091900000000, -0.0029480300000000 ]  - [   0.0287130900000000, -0.0002508800000000, -0.0044460300000000 ]  - [  -0.0003865900000000, -0.0006560400000000,  0.0001974100000000 ]  - [   0.0003563900000000,  0.0005316000000000, -0.0000856600000000 ]  - [  -0.0022407100000000, -0.0005983900000000,  0.0002673600000000 ]  - [   0.0016065000000000,  0.0002134000000000, -0.0003249000000000 ]  - [  -0.0001597900000000,  0.0000873600000000, -0.0003002500000000 ]  - [   0.0103831400000000, -0.0039982200000000,  0.0070535500000000 ]  - [  -0.0011009500000000,  0.0035922600000000, -0.0009830100000000 ]  - [   0.0014958300000000, -0.0018904000000000,  0.0005505200000000 ]  - [   0.0003694700000000,  0.0010352800000000, -0.0004662700000000 ]  - [   0.0003815300000000, -0.0017791500000000,  0.0002161500000000 ]  - [  -0.0005141200000000, -0.0004123400000000, -0.0002006400000000 ]  - [   0.0004870300000000,  0.0007731600000000,  0.0000243100000000 ]  - [  -0.0002750600000000,  0.0000402300000000,  0.0000426500000000 ]  - [   0.0002791800000000,  0.0001213100000000,  0.0000549200000000 ]  - [  -0.0028192600000000,  0.0171171800000000, -0.0000333800000000 ]  - [   0.0012334200000000, -0.0033946100000000, -0.0004347100000000 ]  - [   0.0000756300000000, -0.0001170300000000, -0.0001444200000000 ]  - [   0.0000778100000000,  0.0003367000000000, -0.0001109700000000 ]  - [   0.0001150000000000, -0.0000078900000000,  0.0000539200000000 ]  - [   0.0001166100000000,  0.0003130700000000,  0.0000948200000000 ]  - [  -0.0035668300000000, -0.0013227800000000,  0.0007835300000000 ]  - [   0.0021497400000000,  0.0002065400000000, -0.0005931800000000 ]  - [  -0.0015029400000000, -0.0016113900000000, -0.0014485100000000 ]  - [   0.0014102100000000,  0.0007446000000000,  0.0000585800000000 ]  - [   0.0010875900000000, -0.0027377000000000,  0.0006413300000000 ]  - [   0.0005161100000000,  0.0008221600000000, -0.0001897800000000 ]  - [  -0.0007154800000000,  0.0001396100000000,  0.0000126400000000 ]  - [   0.0005518800000000,  0.0001101900000000, -0.0002421600000000 ]  - [  -0.0020437400000000, -0.0024512700000000,  0.0014608000000000 ]  - [   0.0021799900000000,  0.0018444300000000,  0.0003024300000000 ]  - [  -0.0004320500000000, -0.0005636800000000,  0.0001012800000000 ]  - [   0.0006287400000000,  0.0007156300000000,  0.0002140700000000 ]  - [  -0.0007391200000000,  0.0002191000000000, -0.0000684100000000 ]  - [   0.0005069800000000,  0.0000820800000000,  0.0002221300000000 ]  - [  -0.0002421700000000,  0.0007353100000000,  0.0000286600000000 ]  - [   0.0002412800000000, -0.0003128800000000,  0.0000014500000000 ]  - [  -0.0020971700000000,  0.0000783300000000, -0.0003652200000000 ]  - [   0.0019614400000000,  0.0000320500000000,  0.0005986800000000 ]  - [   0.0028939900000000, -0.0226603800000000,  0.0027128600000000 ]  - [   0.0026316500000000,  0.0029186600000000, -0.0004479100000000 ]- atom:   37  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0088610100000000, -0.0009089700000000, -0.0000180500000000 ]  - [   0.0056255400000000,  0.0015267900000000,  0.0031160800000000 ]  - [  -0.0043798100000000,  0.0057234600000000, -0.0042843600000000 ]  - [   0.0032882500000000, -0.0025212100000000,  0.0003732800000000 ]  - [  -0.0006568000000000, -0.0003094800000000,  0.0002035400000000 ]  - [   0.0006216700000000,  0.0001405700000000,  0.0000150000000000 ]  - [  -0.0009684300000000,  0.0034806100000000, -0.0001397000000000 ]  - [   0.0010516300000000, -0.0009446400000000, -0.0002768300000000 ]  - [  -0.0365611200000000, -0.0113609700000000, -0.0194409100000000 ]  - [   0.0158934500000000, -0.0034843300000000, -0.0103846800000000 ]  - [  -0.0027972000000000,  0.0018613500000000,  0.0009071200000000 ]  - [   0.0028357400000000, -0.0008614700000000, -0.0000478400000000 ]  - [  -0.0008044700000000,  0.0005501300000000, -0.0001143700000000 ]  - [   0.0007882800000000, -0.0001121800000000, -0.0000410400000000 ]  - [  -0.0025314400000000,  0.0031785300000000,  0.0005524800000000 ]  - [   0.0027227700000000, -0.0021562100000000,  0.0008985800000000 ]  - [  -0.0019735800000000, -0.0011357300000000,  0.0013215200000000 ]  - [   0.0018373500000000,  0.0007467700000000, -0.0003728900000000 ]  - [  -0.0025020200000000, -0.0024550500000000, -0.0016061700000000 ]  - [   0.0025690600000000,  0.0013947200000000, -0.0000613400000000 ]  - [  -0.1806684900000000,  0.0671174700000000, -0.0658856600000000 ]  - [   0.0140438400000000,  0.0035133800000000, -0.0036068400000000 ]  - [  -0.0098441000000000, -0.0014920000000000,  0.0098102400000000 ]  - [   0.0102251000000000,  0.0024212500000000,  0.0009396000000000 ]  - [  -0.0029550800000000, -0.0018991900000000, -0.0003903500000000 ]  - [   0.0030308300000000,  0.0022215400000000,  0.0009284800000000 ]  - [  -0.0041945100000000, -0.0119096000000000, -0.0025344300000000 ]  - [   0.0029762300000000,  0.0027882900000000, -0.0008305900000000 ]  - [  -0.0006136800000000, -0.0002053500000000,  0.0002535600000000 ]  - [   0.0006376100000000,  0.0004137800000000,  0.0001559100000000 ]  - [  -0.0005796700000000, -0.0002893300000000, -0.0001941700000000 ]  - [   0.0005807600000000,  0.0003436700000000, -0.0000812400000000 ]  - [  -0.0039548900000000,  0.0036693900000000, -0.0254529000000000 ]  - [  -0.0040505500000000, -0.0001404700000000,  0.0007608700000000 ]  - [   0.0002988000000000, -0.0011871100000000,  0.0000007000000000 ]  - [  -0.0002742800000000,  0.0003191700000000,  0.0000075600000000 ]  - [   0.2875285600000000, -0.0750291700000000,  0.1235142400000000 ]  - [  -0.0116482800000000, -0.0003757500000000, -0.0020266200000000 ]  - [   0.0145040900000000,  0.0009083500000000, -0.0064371000000000 ]  - [  -0.0069211500000000, -0.0009080200000000,  0.0025280800000000 ]  - [  -0.0002918400000000, -0.0024360200000000, -0.0007576300000000 ]  - [  -0.0002760800000000,  0.0019007400000000,  0.0007060700000000 ]  - [   0.0009466200000000,  0.0016493300000000, -0.0004405600000000 ]  - [  -0.0012129000000000, -0.0007346000000000,  0.0003469600000000 ]  - [   0.0043838000000000,  0.0000184600000000,  0.0008268900000000 ]  - [  -0.0020171800000000, -0.0003872200000000, -0.0002501500000000 ]  - [  -0.0402817500000000,  0.0053141700000000,  0.0027803900000000 ]  - [  -0.0293216600000000,  0.0004341900000000,  0.0043252400000000 ]  - [   0.0003924800000000,  0.0006477500000000, -0.0001979800000000 ]  - [  -0.0003615200000000, -0.0005336000000000,  0.0000846400000000 ]  - [   0.0021209800000000,  0.0004367800000000, -0.0004374300000000 ]  - [  -0.0017257500000000, -0.0003606200000000,  0.0001514300000000 ]  - [   0.0000038000000000,  0.0000803800000000,  0.0004376500000000 ]  - [  -0.0105520000000000,  0.0041815300000000, -0.0068978600000000 ]  - [   0.0011248500000000, -0.0032967900000000,  0.0009681000000000 ]  - [  -0.0015037300000000,  0.0021101600000000, -0.0005498300000000 ]  - [  -0.0002630700000000, -0.0011859800000000,  0.0002965500000000 ]  - [  -0.0002516100000000,  0.0016241700000000, -0.0003922200000000 ]  - [   0.0005262800000000,  0.0003933600000000,  0.0002032000000000 ]  - [  -0.0004914600000000, -0.0007741000000000, -0.0000242900000000 ]  - [   0.0002796600000000,  0.0001080000000000, -0.0000440400000000 ]  - [  -0.0002834900000000,  0.0000286000000000, -0.0000554500000000 ]  - [   0.0028914300000000, -0.0176299400000000,  0.0000672600000000 ]  - [  -0.0012379000000000,  0.0031210800000000,  0.0004355600000000 ]  - [   0.0000434100000000,  0.0002647600000000, -0.0000265400000000 ]  - [   0.0000426100000000, -0.0001880600000000, -0.0000626100000000 ]  - [   0.0000039900000000,  0.0001547000000000,  0.0001145400000000 ]  - [   0.0000026300000000, -0.0001626400000000,  0.0000760000000000 ]  - [   0.0036936200000000,  0.0011715700000000, -0.0006094900000000 ]  - [  -0.0020354100000000, -0.0003641200000000,  0.0007684200000000 ]  - [   0.0015059200000000,  0.0014622500000000,  0.0014559800000000 ]  - [  -0.0014113600000000, -0.0009091500000000, -0.0000598000000000 ]  - [  -0.0012238200000000,  0.0025991400000000, -0.0004739900000000 ]  - [  -0.0006275600000000, -0.0009832900000000,  0.0003710600000000 ]  - [   0.0005941000000000,  0.0000052200000000, -0.0001795300000000 ]  - [  -0.0006687500000000,  0.0000414200000000,  0.0000700200000000 ]  - [   0.0020359600000000,  0.0024688400000000, -0.0014673800000000 ]  - [  -0.0021797700000000, -0.0018529700000000, -0.0003074500000000 ]  - [   0.0003042200000000,  0.0004117600000000, -0.0002725800000000 ]  - [  -0.0007408900000000, -0.0008749400000000, -0.0003929400000000 ]  - [   0.0006180600000000, -0.0000739000000000,  0.0002386200000000 ]  - [  -0.0006237000000000,  0.0000699500000000, -0.0000471100000000 ]  - [   0.0002387900000000, -0.0004688900000000, -0.0000302700000000 ]  - [  -0.0002395600000000,  0.0005557400000000, -0.0000017800000000 ]  - [   0.0022202800000000, -0.0002345800000000,  0.0001874600000000 ]  - [  -0.0018447700000000, -0.0001875400000000, -0.0007768000000000 ]  - [  -0.0029898100000000,  0.0226991400000000, -0.0026713100000000 ]  - [  -0.0026351400000000, -0.0029472300000000,  0.0004562200000000 ]- atom:   37  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0013795200000000,  0.0060681400000000, -0.0015894500000000 ]  - [  -0.0003373500000000,  0.0018586900000000, -0.0001997900000000 ]  - [  -0.0039749600000000, -0.0014429500000000,  0.0044525700000000 ]  - [   0.0006177100000000,  0.0016850800000000,  0.0004182400000000 ]  - [  -0.0000205900000000, -0.0027002600000000,  0.0002633700000000 ]  - [  -0.0000217100000000, -0.0017006300000000, -0.0000080300000000 ]  - [  -0.0005973800000000, -0.0022149500000000, -0.0002969200000000 ]  - [   0.0006187100000000, -0.0011437500000000, -0.0003630900000000 ]  - [   0.0086176300000000,  0.0296579900000000,  0.0079154000000000 ]  - [  -0.0008143500000000,  0.0023501000000000,  0.0007818300000000 ]  - [  -0.0038837700000000, -0.0020751900000000, -0.0034600800000000 ]  - [   0.0011580300000000, -0.0005568200000000, -0.0006147300000000 ]  - [  -0.0001703700000000, -0.0027039000000000, -0.0000342100000000 ]  - [   0.0001568500000000, -0.0013635500000000,  0.0000591300000000 ]  - [  -0.0016322000000000, -0.0026255400000000,  0.0010543300000000 ]  - [   0.0018655500000000, -0.0001316100000000,  0.0012047000000000 ]  - [   0.0016655200000000, -0.0015032300000000,  0.0019218000000000 ]  - [  -0.0015551500000000, -0.0009913400000000,  0.0001218300000000 ]  - [   0.0056958000000000, -0.0043530200000000,  0.0005982900000000 ]  - [  -0.0016823800000000, -0.0010374900000000,  0.0000745200000000 ]  - [  -0.0785284300000000,  0.0737473300000000, -0.0364611300000000 ]  - [  -0.0009879200000000,  0.0011563100000000,  0.0001271800000000 ]  - [   0.0003092700000000,  0.0026665300000000,  0.0002423100000000 ]  - [  -0.0022953700000000,  0.0002810500000000, -0.0010661600000000 ]  - [   0.0007293500000000, -0.0002393600000000, -0.0010782800000000 ]  - [  -0.0007709000000000, -0.0002463000000000,  0.0003164000000000 ]  - [  -0.0005393000000000, -0.0137810200000000, -0.0023586600000000 ]  - [  -0.0007248200000000,  0.0000893700000000, -0.0003328000000000 ]  - [   0.0001243700000000, -0.0030314300000000,  0.0001255500000000 ]  - [  -0.0001259900000000, -0.0016887200000000,  0.0001968500000000 ]  - [   0.0002169700000000, -0.0021713000000000, -0.0003011500000000 ]  - [  -0.0002182600000000, -0.0015293000000000, -0.0001731300000000 ]  - [  -0.0006132500000000, -0.0065844900000000,  0.0003044700000000 ]  - [   0.0002136300000000, -0.0005784300000000,  0.0006689000000000 ]  - [   0.0001625500000000,  0.0026600500000000, -0.0000780600000000 ]  - [  -0.0001728800000000,  0.0008496300000000, -0.0000388600000000 ]  - [   0.0774330100000000, -0.1088924800000000,  0.0231089200000000 ]  - [   0.0005054300000000, -0.0004900300000000, -0.0000528300000000 ]  - [  -0.0007468400000000, -0.0059782200000000, -0.0001572800000000 ]  - [   0.0010403600000000, -0.0004146700000000, -0.0001301000000000 ]  - [   0.0020433900000000,  0.0000543300000000,  0.0001530800000000 ]  - [  -0.0023105300000000,  0.0000544800000000,  0.0006750300000000 ]  - [  -0.0018543600000000,  0.0016736100000000, -0.0016982900000000 ]  - [   0.0010299900000000,  0.0001491800000000, -0.0000695600000000 ]  - [  -0.0001998000000000,  0.0119391800000000,  0.0055420800000000 ]  - [   0.0002561800000000, -0.0003713000000000,  0.0000797200000000 ]  - [   0.0051417600000000, -0.0076323300000000, -0.0014139500000000 ]  - [   0.0003139200000000, -0.0040746800000000, -0.0014814200000000 ]  - [  -0.0002626600000000,  0.0018328300000000, -0.0002658400000000 ]  - [   0.0002508400000000,  0.0011494300000000,  0.0000060700000000 ]  - [  -0.0005816600000000,  0.0000158400000000,  0.0001815500000000 ]  - [   0.0002294000000000, -0.0004321900000000, -0.0000236900000000 ]  - [  -0.0000660500000000, -0.0014027300000000, -0.0004960600000000 ]  - [   0.0040233900000000, -0.0033388000000000,  0.0047536900000000 ]  - [   0.0013681900000000,  0.0015890200000000, -0.0017571400000000 ]  - [  -0.0004728200000000, -0.0006134000000000, -0.0002360200000000 ]  - [   0.0017700900000000, -0.0003815700000000, -0.0002270300000000 ]  - [  -0.0010539900000000, -0.0003819500000000, -0.0002657000000000 ]  - [  -0.0009372200000000,  0.0033422600000000, -0.0001312800000000 ]  - [   0.0002730800000000,  0.0013110100000000, -0.0000349000000000 ]  - [  -0.0000570700000000,  0.0010882200000000,  0.0000902700000000 ]  - [   0.0000493500000000,  0.0007907600000000, -0.0000353300000000 ]  - [   0.0049682700000000,  0.0004137800000000,  0.0049450000000000 ]  - [  -0.0005507600000000, -0.0017073000000000,  0.0002274700000000 ]  - [   0.0003255800000000,  0.0011222900000000,  0.0002038800000000 ]  - [  -0.0001333500000000,  0.0011254200000000, -0.0001283200000000 ]  - [   0.0003012000000000,  0.0009337400000000, -0.0001083600000000 ]  - [  -0.0000232500000000,  0.0009358400000000,  0.0000687000000000 ]  - [   0.0013034500000000,  0.0026571100000000, -0.0004748400000000 ]  - [  -0.0002251200000000,  0.0002532500000000,  0.0002430500000000 ]  - [  -0.0003047100000000,  0.0017222100000000,  0.0019999400000000 ]  - [   0.0003199700000000,  0.0001756500000000, -0.0000285400000000 ]  - [  -0.0027196400000000,  0.0034038900000000, -0.0009916300000000 ]  - [   0.0008413000000000,  0.0005080700000000,  0.0004298400000000 ]  - [  -0.0001298700000000,  0.0013807400000000,  0.0000802400000000 ]  - [  -0.0000926800000000,  0.0007774300000000, -0.0000150100000000 ]  - [  -0.0002647900000000, -0.0017247300000000,  0.0004955000000000 ]  - [   0.0004974400000000, -0.0003536800000000,  0.0001079400000000 ]  - [  -0.0005473500000000,  0.0003707600000000, -0.0001489200000000 ]  - [   0.0007342700000000,  0.0006208000000000, -0.0004611700000000 ]  - [  -0.0002097000000000,  0.0011051100000000, -0.0000563900000000 ]  - [  -0.0000644200000000,  0.0007565100000000,  0.0000210100000000 ]  - [   0.0003203000000000,  0.0025551200000000,  0.0002210700000000 ]  - [  -0.0001084400000000,  0.0010449600000000,  0.0000421500000000 ]  - [  -0.0000955100000000,  0.0005963200000000, -0.0002776700000000 ]  - [  -0.0000500500000000,  0.0003848200000000, -0.0002906000000000 ]  - [  -0.0154052200000000,  0.0246251800000000, -0.0046431700000000 ]  - [   0.0002635400000000, -0.0009447800000000,  0.0000317000000000 ]- atom:   37  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0014217700000000, -0.0062966600000000,  0.0016298600000000 ]  - [   0.0003514400000000, -0.0020943700000000,  0.0002111800000000 ]  - [   0.0040377600000000,  0.0018464400000000, -0.0045174300000000 ]  - [  -0.0006129500000000, -0.0014154700000000, -0.0004192300000000 ]  - [   0.0000197300000000,  0.0024357100000000, -0.0002649500000000 ]  - [   0.0000233200000000,  0.0014385700000000,  0.0000073900000000 ]  - [   0.0006004800000000,  0.0024755500000000,  0.0002992300000000 ]  - [  -0.0006203000000000,  0.0013908800000000,  0.0003653700000000 ]  - [  -0.0088405800000000, -0.0294148900000000, -0.0081111600000000 ]  - [   0.0008552900000000, -0.0023156300000000, -0.0008226100000000 ]  - [   0.0038580000000000,  0.0019831900000000,  0.0034378600000000 ]  - [  -0.0011534300000000,  0.0004884900000000,  0.0006130300000000 ]  - [   0.0001695800000000,  0.0027941200000000,  0.0000353300000000 ]  - [  -0.0001557000000000,  0.0014318400000000, -0.0000585400000000 ]  - [   0.0016377200000000,  0.0025271600000000, -0.0010596400000000 ]  - [  -0.0018724600000000,  0.0000245200000000, -0.0012112000000000 ]  - [  -0.0016531700000000,  0.0015187300000000, -0.0015236100000000 ]  - [   0.0015423000000000,  0.0010089800000000,  0.0002621300000000 ]  - [  -0.0056630700000000,  0.0043576700000000, -0.0009825900000000 ]  - [   0.0016709600000000,  0.0010581600000000, -0.0004605400000000 ]  - [   0.0802687700000000, -0.0733933600000000,  0.0376490300000000 ]  - [   0.0009861900000000, -0.0011950700000000,  0.0002747400000000 ]  - [  -0.0002987400000000, -0.0027290200000000, -0.0005695300000000 ]  - [   0.0023050900000000, -0.0003086300000000,  0.0006803500000000 ]  - [  -0.0007308700000000,  0.0002314300000000,  0.0014674600000000 ]  - [   0.0007736400000000,  0.0002526400000000,  0.0000664900000000 ]  - [   0.0005458400000000,  0.0138378000000000,  0.0019859500000000 ]  - [   0.0007264200000000, -0.0000879000000000, -0.0000509100000000 ]  - [  -0.0001211800000000,  0.0030112600000000,  0.0002550200000000 ]  - [   0.0001226100000000,  0.0016759600000000,  0.0001843000000000 ]  - [  -0.0002139100000000,  0.0021550500000000, -0.0000803500000000 ]  - [   0.0002153800000000,  0.0015154100000000, -0.0002076100000000 ]  - [   0.0005422500000000,  0.0067732800000000, -0.0004209800000000 ]  - [  -0.0002149400000000,  0.0007384700000000, -0.0006758900000000 ]  - [  -0.0001625100000000, -0.0028964300000000,  0.0000783800000000 ]  - [   0.0001722600000000, -0.0011039700000000,  0.0000387200000000 ]  - [  -0.0790232300000000,  0.1085636200000000, -0.0239616100000000 ]  - [  -0.0004089800000000,  0.0006459300000000, -0.0001289900000000 ]  - [   0.0008849600000000,  0.0061285800000000,  0.0004149800000000 ]  - [  -0.0009421800000000,  0.0005674600000000,  0.0003116000000000 ]  - [  -0.0019067500000000, -0.0002152500000000,  0.0000120000000000 ]  - [   0.0024150200000000, -0.0002150700000000, -0.0004995400000000 ]  - [   0.0018412300000000, -0.0018137900000000,  0.0016866300000000 ]  - [  -0.0010227000000000, -0.0003082300000000,  0.0000713200000000 ]  - [   0.0000811700000000, -0.0119054600000000, -0.0052823400000000 ]  - [  -0.0003708100000000,  0.0002097300000000,  0.0000942000000000 ]  - [  -0.0053791800000000,  0.0078056400000000,  0.0012372400000000 ]  - [  -0.0003703200000000,  0.0042210300000000,  0.0013205600000000 ]  - [   0.0002632200000000, -0.0018304100000000,  0.0002636800000000 ]  - [  -0.0002509000000000, -0.0011506200000000, -0.0000060800000000 ]  - [   0.0004526600000000, -0.0001764100000000, -0.0003474700000000 ]  - [  -0.0003438500000000,  0.0002720600000000, -0.0001480000000000 ]  - [  -0.0000571800000000,  0.0015528600000000,  0.0006623500000000 ]  - [  -0.0041557900000000,  0.0034889500000000, -0.0045955300000000 ]  - [  -0.0013696500000000, -0.0013148300000000,  0.0017625600000000 ]  - [   0.0004715400000000,  0.0008672000000000,  0.0002360300000000 ]  - [  -0.0016325500000000,  0.0002198800000000,  0.0000524800000000 ]  - [   0.0011668700000000,  0.0002196900000000,  0.0000878700000000 ]  - [   0.0009323300000000, -0.0033300300000000,  0.0001296000000000 ]  - [  -0.0002728000000000, -0.0013128700000000,  0.0000345800000000 ]  - [   0.0000576400000000, -0.0009329600000000, -0.0000896800000000 ]  - [  -0.0000497900000000, -0.0006378300000000,  0.0000351600000000 ]  - [  -0.0050385400000000, -0.0007345300000000, -0.0050077500000000 ]  - [   0.0005520100000000,  0.0015090100000000, -0.0002284000000000 ]  - [  -0.0001988000000000, -0.0009720400000000, -0.0003724300000000 ]  - [   0.0002476200000000, -0.0009682000000000, -0.0000469700000000 ]  - [  -0.0001743400000000, -0.0007823100000000,  0.0002735100000000 ]  - [   0.0001384000000000, -0.0007793900000000,  0.0001031000000000 ]  - [  -0.0011928800000000, -0.0028182900000000,  0.0006486200000000 ]  - [   0.0003463900000000, -0.0003986400000000, -0.0000717500000000 ]  - [   0.0003056400000000, -0.0018777100000000, -0.0020124500000000 ]  - [  -0.0003211500000000, -0.0003282500000000,  0.0000291700000000 ]  - [   0.0026165000000000, -0.0035717300000000,  0.0011735400000000 ]  - [  -0.0009624900000000, -0.0006580600000000, -0.0002568200000000 ]  - [   0.0000040800000000, -0.0012291900000000, -0.0002463700000000 ]  - [  -0.0000226200000000, -0.0006215400000000, -0.0001568000000000 ]  - [   0.0002647400000000,  0.0017566600000000, -0.0005041300000000 ]  - [  -0.0004993300000000,  0.0003644700000000, -0.0001092400000000 ]  - [   0.0004274800000000, -0.0005154200000000, -0.0000219900000000 ]  - [  -0.0008544900000000, -0.0007726100000000,  0.0002908700000000 ]  - [   0.0000828200000000, -0.0009537800000000,  0.0002245500000000 ]  - [  -0.0000508400000000, -0.0006000200000000,  0.0001536300000000 ]  - [  -0.0003175100000000, -0.0022719000000000, -0.0002195300000000 ]  - [   0.0001083300000000, -0.0008063200000000, -0.0000421800000000 ]  - [   0.0002154900000000, -0.0007458700000000,  0.0001049600000000 ]  - [   0.0001703000000000, -0.0005314900000000,  0.0001162600000000 ]  - [   0.0157179800000000, -0.0249916100000000,  0.0047513000000000 ]  - [  -0.0002642600000000,  0.0009599400000000, -0.0000313400000000 ]- atom:   37  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0043980200000000,  0.0000794500000000, -0.0015881500000000 ]  - [  -0.0034327300000000, -0.0008040900000000, -0.0002573700000000 ]  - [   0.0021381000000000,  0.0022550200000000,  0.0030977300000000 ]  - [  -0.0009407800000000,  0.0015337500000000,  0.0003140300000000 ]  - [   0.0001298800000000, -0.0001948400000000, -0.0001289600000000 ]  - [  -0.0001161700000000, -0.0003461600000000, -0.0000340700000000 ]  - [   0.0003164600000000, -0.0024496000000000,  0.0000984300000000 ]  - [  -0.0003812500000000,  0.0002269500000000,  0.0001515600000000 ]  - [   0.0204550000000000,  0.0123239500000000,  0.0314612600000000 ]  - [  -0.0025126100000000,  0.0001944400000000,  0.0012338400000000 ]  - [  -0.0010526900000000, -0.0019590900000000, -0.0019797600000000 ]  - [   0.0001430300000000, -0.0000350000000000, -0.0002450100000000 ]  - [   0.0001767400000000,  0.0000541000000000,  0.0000994100000000 ]  - [  -0.0001697600000000, -0.0000854700000000,  0.0000650400000000 ]  - [   0.0009613500000000,  0.0018609200000000, -0.0004390500000000 ]  - [  -0.0010498200000000,  0.0007140600000000, -0.0004961700000000 ]  - [   0.0001284100000000,  0.0004676100000000, -0.0012953800000000 ]  - [  -0.0003967300000000, -0.0000711100000000, -0.0001100600000000 ]  - [   0.0022629600000000, -0.0003145800000000,  0.0026616000000000 ]  - [  -0.0006997600000000, -0.0002172600000000,  0.0003535900000000 ]  - [   0.0665034300000000, -0.0297446000000000,  0.0618124500000000 ]  - [  -0.0029415100000000, -0.0007658800000000,  0.0015137100000000 ]  - [   0.0143068200000000, -0.0007763000000000, -0.0221961500000000 ]  - [  -0.0051671100000000, -0.0017769800000000, -0.0026012500000000 ]  - [   0.0010327100000000, -0.0003703900000000, -0.0000217900000000 ]  - [  -0.0010574500000000, -0.0016287300000000, -0.0006056100000000 ]  - [   0.0018386000000000,  0.0045525300000000,  0.0009682000000000 ]  - [  -0.0010295800000000, -0.0012751500000000,  0.0007110300000000 ]  - [   0.0001594600000000, -0.0005832100000000,  0.0002325400000000 ]  - [  -0.0001803400000000, -0.0002039300000000,  0.0002551900000000 ]  - [   0.0001567300000000, -0.0001504200000000, -0.0003681600000000 ]  - [  -0.0001549000000000, -0.0001676100000000, -0.0002997200000000 ]  - [   0.0182007200000000, -0.0052794200000000,  0.0380881500000000 ]  - [   0.0007085000000000, -0.0000710900000000,  0.0006941300000000 ]  - [   0.0000306400000000, -0.0004945600000000, -0.0001035400000000 ]  - [   0.0000295600000000, -0.0001967400000000, -0.0000161600000000 ]  - [  -0.1256285300000000,  0.0242227100000000, -0.1432482700000000 ]  - [   0.0019742900000000,  0.0001170100000000,  0.0002643600000000 ]  - [  -0.0064945900000000,  0.0003754400000000,  0.0348971000000000 ]  - [   0.0024847400000000,  0.0002968000000000, -0.0004574400000000 ]  - [   0.0006790500000000,  0.0005043600000000, -0.0004721800000000 ]  - [  -0.0007817200000000, -0.0000017000000000, -0.0004679400000000 ]  - [   0.0001382400000000, -0.0015732300000000, -0.0004115100000000 ]  - [  -0.0000028800000000, -0.0001440400000000, -0.0001255600000000 ]  - [  -0.0008149900000000,  0.0053167500000000, -0.0005468300000000 ]  - [   0.0002757700000000, -0.0000853800000000, -0.0000433600000000 ]  - [   0.0026697700000000, -0.0012342300000000, -0.0078284100000000 ]  - [   0.0043389500000000, -0.0013173300000000, -0.0068597500000000 ]  - [  -0.0000705900000000, -0.0000552900000000,  0.0001728300000000 ]  - [   0.0001083200000000,  0.0001241600000000,  0.0000520800000000 ]  - [  -0.0004068700000000, -0.0003317000000000,  0.0016978200000000 ]  - [   0.0001759200000000, -0.0001389900000000,  0.0000760800000000 ]  - [  -0.0003968100000000,  0.0006600200000000,  0.0045977700000000 ]  - [   0.0068907600000000, -0.0045827800000000,  0.0086916200000000 ]  - [  -0.0018789600000000, -0.0036568700000000,  0.0019967000000000 ]  - [   0.0007926000000000, -0.0007281500000000,  0.0001303700000000 ]  - [   0.0003645700000000,  0.0001000100000000,  0.0008263900000000 ]  - [  -0.0003268000000000,  0.0000737500000000,  0.0008238500000000 ]  - [  -0.0004914700000000,  0.0008138300000000, -0.0003277800000000 ]  - [   0.0001603500000000,  0.0002527200000000, -0.0000740700000000 ]  - [  -0.0000920300000000,  0.0001503700000000,  0.0000886000000000 ]  - [   0.0000932500000000,  0.0001185000000000,  0.0000317700000000 ]  - [  -0.0006663700000000,  0.0134757800000000, -0.0015907900000000 ]  - [   0.0003020800000000, -0.0005317000000000, -0.0001466600000000 ]  - [   0.0000366900000000,  0.0000345800000000, -0.0001914300000000 ]  - [   0.0000015800000000,  0.0003635400000000, -0.0001931600000000 ]  - [   0.0000509200000000,  0.0000915700000000,  0.0001462400000000 ]  - [   0.0000899200000000,  0.0002670500000000,  0.0001475000000000 ]  - [  -0.0006198500000000, -0.0006309000000000, -0.0004297900000000 ]  - [   0.0007351900000000,  0.0000820000000000, -0.0002258900000000 ]  - [  -0.0007893300000000, -0.0005321500000000, -0.0007925000000000 ]  - [   0.0006415200000000,  0.0004818100000000, -0.0000648300000000 ]  - [   0.0004873600000000, -0.0011422900000000,  0.0004285600000000 ]  - [  -0.0003433500000000,  0.0002643800000000, -0.0007013400000000 ]  - [  -0.0001564100000000,  0.0002373600000000, -0.0002252900000000 ]  - [   0.0000957000000000,  0.0001474200000000, -0.0001451300000000 ]  - [  -0.0017853200000000, -0.0005025600000000,  0.0026967900000000 ]  - [   0.0010279000000000,  0.0012285800000000,  0.0005525300000000 ]  - [  -0.0002450600000000, -0.0000137700000000,  0.0001322100000000 ]  - [  -0.0003666400000000,  0.0002963600000000,  0.0008054500000000 ]  - [  -0.0002133400000000,  0.0002140700000000,  0.0001661800000000 ]  - [   0.0000747700000000,  0.0001430800000000,  0.0001292600000000 ]  - [   0.0000571800000000,  0.0008528200000000,  0.0001254100000000 ]  - [   0.0000084500000000,  0.0002119200000000,  0.0000167900000000 ]  - [  -0.0002095100000000,  0.0001105800000000,  0.0005555600000000 ]  - [   0.0007426000000000,  0.0001276300000000,  0.0002753100000000 ]  - [   0.0037256000000000, -0.0096163300000000, -0.0055390900000000 ]  - [   0.0007634500000000,  0.0007618400000000, -0.0004416800000000 ]- atom:   37  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0046331100000000, -0.0002391900000000,  0.0020175300000000 ]  - [   0.0034345100000000,  0.0005494600000000,  0.0002898000000000 ]  - [  -0.0020929700000000, -0.0018846600000000, -0.0031957000000000 ]  - [   0.0009540400000000, -0.0012863000000000, -0.0003216600000000 ]  - [  -0.0001340200000000, -0.0000664100000000,  0.0001328100000000 ]  - [   0.0001207800000000,  0.0000898500000000,  0.0000344600000000 ]  - [  -0.0003223200000000,  0.0027390100000000, -0.0001016300000000 ]  - [   0.0003904300000000,  0.0000218900000000, -0.0001558600000000 ]  - [  -0.0220674800000000, -0.0128571200000000, -0.0325158200000000 ]  - [   0.0025918600000000, -0.0001412800000000, -0.0013400300000000 ]  - [   0.0010500100000000,  0.0018632300000000,  0.0020098600000000 ]  - [  -0.0001262900000000, -0.0000499300000000,  0.0002549300000000 ]  - [  -0.0001801300000000,  0.0000465800000000, -0.0001016200000000 ]  - [   0.0001737500000000,  0.0001514400000000, -0.0000661400000000 ]  - [  -0.0009791100000000, -0.0019208300000000,  0.0004528300000000 ]  - [   0.0010712700000000, -0.0008124500000000,  0.0005122000000000 ]  - [  -0.0001360300000000, -0.0004667100000000,  0.0016663800000000 ]  - [   0.0004051600000000,  0.0000901900000000,  0.0004880100000000 ]  - [  -0.0022962600000000,  0.0003420300000000, -0.0030547900000000 ]  - [   0.0007129800000000,  0.0002430100000000, -0.0007375100000000 ]  - [  -0.0647951200000000,  0.0289086300000000, -0.0614987100000000 ]  - [   0.0029877600000000,  0.0007442700000000, -0.0011074700000000 ]  - [  -0.0144431400000000,  0.0008099400000000,  0.0217741300000000 ]  - [   0.0052395200000000,  0.0017700400000000,  0.0022254500000000 ]  - [  -0.0010523700000000,  0.0004065000000000,  0.0003943200000000 ]  - [   0.0010779800000000,  0.0016575600000000,  0.0009925000000000 ]  - [  -0.0018730200000000, -0.0046760100000000, -0.0013877400000000 ]  - [   0.0010496700000000,  0.0012962400000000, -0.0011015200000000 ]  - [  -0.0001643000000000,  0.0005752900000000,  0.0001499800000000 ]  - [   0.0001860500000000,  0.0001935100000000,  0.0001264100000000 ]  - [  -0.0001608200000000,  0.0001369600000000, -0.0000113500000000 ]  - [   0.0001598900000000,  0.0001566300000000, -0.0000798800000000 ]  - [  -0.0177780800000000,  0.0053812200000000, -0.0377051900000000 ]  - [  -0.0007342400000000,  0.0002235300000000, -0.0007073000000000 ]  - [  -0.0000297800000000,  0.0002535900000000,  0.0001047100000000 ]  - [  -0.0000300600000000, -0.0000529400000000,  0.0000168600000000 ]  - [   0.1256631900000000, -0.0228332600000000,  0.1442213700000000 ]  - [  -0.0019072500000000,  0.0000414500000000, -0.0004527400000000 ]  - [   0.0066984100000000, -0.0001967400000000, -0.0353304100000000 ]  - [  -0.0024094000000000, -0.0001444200000000,  0.0006484700000000 ]  - [  -0.0005587800000000, -0.0006699300000000,  0.0006288800000000 ]  - [   0.0009021200000000, -0.0001418900000000,  0.0006337100000000 ]  - [  -0.0001277000000000,  0.0014223400000000,  0.0004234100000000 ]  - [  -0.0000046400000000, -0.0000157500000000,  0.0001298100000000 ]  - [   0.0007018600000000, -0.0055055500000000,  0.0006708400000000 ]  - [  -0.0004003800000000, -0.0000711500000000,  0.0002150400000000 ]  - [  -0.0030563400000000,  0.0014172600000000,  0.0076401200000000 ]  - [  -0.0044315000000000,  0.0014844600000000,  0.0067402100000000 ]  - [   0.0000750800000000,  0.0000602400000000, -0.0001720600000000 ]  - [  -0.0001116800000000, -0.0001268700000000, -0.0000514200000000 ]  - [   0.0002987300000000,  0.0001983900000000, -0.0018654900000000 ]  - [  -0.0002992800000000, -0.0000147600000000, -0.0002467000000000 ]  - [   0.0003414100000000, -0.0004978100000000, -0.0043567800000000 ]  - [  -0.0070612900000000,  0.0047662200000000, -0.0085789300000000 ]  - [   0.0018766700000000,  0.0038772700000000, -0.0020030100000000 ]  - [  -0.0007980200000000,  0.0009611300000000, -0.0001380500000000 ]  - [  -0.0002438800000000, -0.0002533200000000, -0.0009921900000000 ]  - [   0.0004346200000000, -0.0002049400000000, -0.0009952800000000 ]  - [   0.0004995800000000, -0.0008200900000000,  0.0003299900000000 ]  - [  -0.0001644900000000, -0.0002582500000000,  0.0000737500000000 ]  - [   0.0000965300000000,  0.0000004500000000, -0.0000902700000000 ]  - [  -0.0000970400000000,  0.0000325600000000, -0.0000329000000000 ]  - [   0.0007022900000000, -0.0139555600000000,  0.0016506700000000 ]  - [  -0.0003101700000000,  0.0003174500000000,  0.0001528900000000 ]  - [   0.0000861400000000,  0.0001164300000000,  0.0000218400000000 ]  - [   0.0001165900000000, -0.0002125500000000,  0.0000188600000000 ]  - [   0.0000712600000000,  0.0000576900000000,  0.0000221800000000 ]  - [   0.0000267600000000, -0.0001144700000000,  0.0000247400000000 ]  - [   0.0007729800000000,  0.0004915500000000,  0.0005896400000000 ]  - [  -0.0006273500000000, -0.0002320900000000,  0.0004010100000000 ]  - [   0.0008005700000000,  0.0003868700000000,  0.0008151500000000 ]  - [  -0.0006510100000000, -0.0006417600000000,  0.0000667200000000 ]  - [  -0.0006265700000000,  0.0010233200000000, -0.0002616700000000 ]  - [   0.0002175200000000, -0.0004230800000000,  0.0008735300000000 ]  - [   0.0000369400000000, -0.0000897200000000,  0.0000579700000000 ]  - [  -0.0002152000000000,  0.0000067300000000, -0.0000260100000000 ]  - [   0.0018032000000000,  0.0004646800000000, -0.0026837100000000 ]  - [  -0.0010410800000000, -0.0012378200000000, -0.0005555700000000 ]  - [   0.0001308800000000, -0.0001402000000000, -0.0003077900000000 ]  - [   0.0002408800000000, -0.0004564100000000, -0.0009758800000000 ]  - [   0.0000944600000000, -0.0000670200000000,  0.0000054900000000 ]  - [  -0.0001935400000000,  0.0000115500000000,  0.0000454500000000 ]  - [  -0.0000567300000000, -0.0005816700000000, -0.0001271800000000 ]  - [  -0.0000088600000000,  0.0000341300000000, -0.0000175300000000 ]  - [   0.0003427500000000, -0.0002729700000000, -0.0007269200000000 ]  - [  -0.0006343000000000, -0.0002785400000000, -0.0004547600000000 ]  - [  -0.0037986500000000,  0.0098483900000000,  0.0054455300000000 ]  - [  -0.0007733000000000, -0.0007587500000000,  0.0004426900000000 ]- atom:   49  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0022798900000000, -0.0001313500000000, -0.0000008100000000 ]  - [  -0.0009995300000000, -0.0001291100000000, -0.0000002300000000 ]  - [  -0.0007165800000000,  0.0015771200000000, -0.0012769500000000 ]  - [  -0.0007249500000000, -0.0013087100000000,  0.0012790300000000 ]  - [  -0.0007165800000000, -0.0015771200000000,  0.0012769500000000 ]  - [  -0.0007249500000000,  0.0013087100000000, -0.0012790300000000 ]  - [   0.0022798900000000,  0.0001313500000000,  0.0000008100000000 ]  - [  -0.0009995300000000,  0.0001291100000000,  0.0000002300000000 ]  - [   0.0014101400000000,  0.0000277200000000,  0.0000000200000000 ]  - [  -0.0009982200000000,  0.0000235200000000,  0.0000006000000000 ]  - [  -0.0038031700000000,  0.0023821800000000,  0.0037875700000000 ]  - [  -0.0038178300000000, -0.0024231200000000, -0.0037983200000000 ]  - [  -0.0038031700000000, -0.0023821800000000, -0.0037875700000000 ]  - [  -0.0038178300000000,  0.0024231200000000,  0.0037983200000000 ]  - [   0.0014101400000000, -0.0000277200000000, -0.0000000200000000 ]  - [  -0.0009982200000000, -0.0000235200000000, -0.0000006000000000 ]  - [   0.0204573400000000,  0.0007822900000000,  0.0000923100000000 ]  - [  -0.0037177900000000,  0.0000113700000000,  0.0001882500000000 ]  - [   0.0040618900000000,  0.0000163200000000, -0.0001689500000000 ]  - [  -0.0034410500000000,  0.0000118400000000, -0.0001880900000000 ]  - [  -0.0000030000000000,  0.0001504700000000,  0.0005046100000000 ]  - [  -0.0000029600000000, -0.0001700300000000, -0.0001284500000000 ]  - [  -0.0003279700000000,  0.0004467400000000, -0.0003178900000000 ]  - [  -0.0003282500000000, -0.0004665800000000, -0.0000580300000000 ]  - [  -0.0003279700000000, -0.0004467400000000,  0.0003178900000000 ]  - [  -0.0003282500000000,  0.0004665800000000,  0.0000580300000000 ]  - [  -0.0000030000000000, -0.0001504700000000, -0.0005046100000000 ]  - [  -0.0000029600000000,  0.0001700300000000,  0.0001284500000000 ]  - [   0.0040618900000000, -0.0000163200000000,  0.0001689500000000 ]  - [  -0.0034410500000000, -0.0000118400000000,  0.0001880900000000 ]  - [   0.0204573400000000, -0.0007822900000000, -0.0000923100000000 ]  - [  -0.0037177900000000, -0.0000113700000000, -0.0001882500000000 ]  - [   0.0000840700000000, -0.0002442700000000, -0.0001795800000000 ]  - [   0.0000847500000000,  0.0003945900000000,  0.0001794800000000 ]  - [   0.0028763500000000,  0.0013641700000000,  0.0021214600000000 ]  - [   0.0028353800000000, -0.0016280800000000, -0.0020890900000000 ]  - [  -0.0003350300000000, -0.0001846300000000, -0.0001628500000000 ]  - [   0.0004154900000000,  0.0003294200000000,  0.0000227200000000 ]  - [  -0.0004657000000000, -0.0008568900000000,  0.0005855500000000 ]  - [   0.0005456800000000,  0.0003519500000000, -0.0000753800000000 ]  - [   0.0022364800000000, -0.0005768500000000, -0.0009474200000000 ]  - [  -0.0019775800000000,  0.0001850300000000,  0.0018764800000000 ]  - [  -0.0051621600000000, -0.0000615800000000, -0.0000110000000000 ]  - [   0.0013508700000000, -0.0000763500000000, -0.0000000500000000 ]  - [  -0.0021020600000000, -0.0003427100000000, -0.0017111900000000 ]  - [   0.0021217400000000,  0.0004185200000000,  0.0011213400000000 ]  - [   0.0003009400000000, -0.0001727100000000, -0.0001974200000000 ]  - [  -0.0004443900000000,  0.0003406100000000, -0.0000174700000000 ]  - [  -0.0467260600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0013874500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0028940500000000, -0.0157101300000000, -0.0038611500000000 ]  - [   0.0025759900000000,  0.0001842900000000, -0.0008552600000000 ]  - [   0.0004312200000000, -0.0001941100000000,  0.0002497200000000 ]  - [  -0.0005746900000000,  0.0010133600000000, -0.0004051000000000 ]  - [  -0.0001814900000000,  0.0001325700000000,  0.0000000900000000 ]  - [   0.0001541600000000,  0.0001295800000000, -0.0000001000000000 ]  - [   0.0026897200000000, -0.0003431700000000,  0.0006816600000000 ]  - [   0.0029902300000000,  0.0154098700000000,  0.0036637900000000 ]  - [  -0.0015805800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0013857800000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0051621600000000,  0.0000615800000000,  0.0000110000000000 ]  - [   0.0013508700000000,  0.0000763500000000,  0.0000000500000000 ]  - [  -0.0001814900000000, -0.0001325700000000, -0.0000000900000000 ]  - [   0.0001541600000000, -0.0001295800000000,  0.0000001000000000 ]  - [   0.0022364800000000,  0.0005768500000000,  0.0009474200000000 ]  - [  -0.0019775800000000, -0.0001850300000000, -0.0018764800000000 ]  - [   0.0026897200000000,  0.0003431700000000, -0.0006816600000000 ]  - [   0.0029902300000000, -0.0154098700000000, -0.0036637900000000 ]  - [  -0.0003350300000000,  0.0001846300000000,  0.0001628500000000 ]  - [   0.0004154900000000, -0.0003294200000000, -0.0000227200000000 ]  - [   0.0000840700000000,  0.0002442700000000,  0.0001795800000000 ]  - [   0.0000847500000000, -0.0003945900000000, -0.0001794800000000 ]  - [   0.0003009400000000,  0.0001727100000000,  0.0001974200000000 ]  - [  -0.0004443900000000, -0.0003406100000000,  0.0000174700000000 ]  - [  -0.0021020600000000,  0.0003427100000000,  0.0017111900000000 ]  - [   0.0021217400000000, -0.0004185200000000, -0.0011213400000000 ]  - [   0.0000957400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000967300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0004312200000000,  0.0001941100000000, -0.0002497200000000 ]  - [  -0.0005746900000000, -0.0010133600000000,  0.0004051000000000 ]  - [   0.0028940500000000,  0.0157101300000000,  0.0038611500000000 ]  - [   0.0025759900000000, -0.0001842900000000,  0.0008552600000000 ]  - [   0.0028763500000000, -0.0013641700000000, -0.0021214600000000 ]  - [   0.0028353800000000,  0.0016280800000000,  0.0020890900000000 ]  - [  -0.0004657000000000,  0.0008568900000000, -0.0005855500000000 ]  - [   0.0005456800000000, -0.0003519500000000,  0.0000753800000000 ]  - [  -0.0000017300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000013300000000,  0.0000000000000000,  0.0000000000000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000, -0.0068463000000000, -0.0026217700000000 ]  - [   0.0000000000000000, -0.0019765000000000, -0.0002380100000000 ]  - [   0.0050949000000000, -0.0002963500000000,  0.0029340700000000 ]  - [  -0.0050949000000000, -0.0002963500000000,  0.0029340700000000 ]  - [  -0.0051037500000000, -0.0005452400000000,  0.0029417000000000 ]  - [   0.0051037500000000, -0.0005452400000000,  0.0029417000000000 ]  - [   0.0000000000000000, -0.0065956200000000, -0.0026268000000000 ]  - [   0.0000000000000000, -0.0017177700000000, -0.0002387800000000 ]  - [   0.0000000000000000, -0.0055639000000000,  0.0011170000000000 ]  - [   0.0000000000000000, -0.0028046500000000,  0.0002433100000000 ]  - [   0.0120919700000000,  0.0106490700000000, -0.0089590700000000 ]  - [  -0.0120919700000000,  0.0106490700000000, -0.0089590700000000 ]  - [  -0.0121105400000000,  0.0108400300000000, -0.0089920300000000 ]  - [   0.0121105400000000,  0.0108400300000000, -0.0089920300000000 ]  - [   0.0000000000000000, -0.0056466600000000,  0.0011174300000000 ]  - [   0.0000000000000000, -0.0028792800000000,  0.0002440500000000 ]  - [   0.0000000000000000,  0.2770616800000000, -0.0254408600000000 ]  - [   0.0000000000000000,  0.0056182300000000,  0.0022029600000000 ]  - [   0.0000000000000000,  0.0132845000000000,  0.0118986600000000 ]  - [   0.0000000000000000,  0.0050566300000000, -0.0014107000000000 ]  - [   0.0010448800000000, -0.0038612200000000, -0.0000395700000000 ]  - [  -0.0010448800000000, -0.0038612200000000, -0.0000395700000000 ]  - [   0.0017156600000000, -0.0048059800000000, -0.0003435700000000 ]  - [  -0.0017156600000000, -0.0048059800000000, -0.0003435700000000 ]  - [  -0.0017189800000000, -0.0047935800000000,  0.0000434200000000 ]  - [   0.0017189800000000, -0.0047935800000000,  0.0000434200000000 ]  - [  -0.0010488800000000, -0.0038453700000000, -0.0004265300000000 ]  - [   0.0010488800000000, -0.0038453700000000, -0.0004265300000000 ]  - [   0.0000000000000000,  0.0133595500000000,  0.0123187800000000 ]  - [   0.0000000000000000,  0.0050542100000000, -0.0010261200000000 ]  - [   0.0000000000000000,  0.2965510800000000, -0.0283452300000000 ]  - [   0.0000000000000000,  0.0056143100000000,  0.0018222600000000 ]  - [  -0.0007382400000000,  0.0019077000000000,  0.0003725500000000 ]  - [   0.0007382400000000,  0.0019077000000000,  0.0003725500000000 ]  - [  -0.0008963000000000, -0.0101901000000000, -0.0004322300000000 ]  - [   0.0008963000000000, -0.0101901000000000, -0.0004322300000000 ]  - [  -0.0005892900000000,  0.0019065000000000, -0.0001425900000000 ]  - [   0.0005815300000000,  0.0012283200000000,  0.0000324300000000 ]  - [  -0.0003417600000000,  0.0034113000000000, -0.0007311700000000 ]  - [   0.0008218100000000,  0.0013901600000000, -0.0001621000000000 ]  - [  -0.0017894300000000, -0.0004341000000000,  0.0013194000000000 ]  - [   0.0025167400000000, -0.0018091700000000, -0.0003936300000000 ]  - [   0.0000000000000000,  0.0144054600000000, -0.0227440500000000 ]  - [   0.0000000000000000, -0.0016240800000000, -0.0002789800000000 ]  - [  -0.0025167400000000, -0.0018091700000000, -0.0003936300000000 ]  - [   0.0017894300000000, -0.0004341000000000,  0.0013194000000000 ]  - [  -0.0005815300000000,  0.0012283200000000,  0.0000324300000000 ]  - [   0.0005892900000000,  0.0019065000000000, -0.0001425900000000 ]  - [   0.0000000000000000, -0.7124596200000000,  0.0702290600000000 ]  - [   0.0000000000000000, -0.0053595700000000, -0.0004896100000000 ]  - [  -0.0225893300000000,  0.0245727900000000,  0.0095895100000000 ]  - [   0.0028709400000000, -0.0010259600000000, -0.0008474000000000 ]  - [  -0.0008218100000000,  0.0013901600000000, -0.0001621000000000 ]  - [   0.0003417600000000,  0.0034113000000000, -0.0007311700000000 ]  - [   0.0000000000000000,  0.0046381400000000, -0.0000381800000000 ]  - [   0.0000000000000000,  0.0027928000000000, -0.0000030000000000 ]  - [  -0.0028709400000000, -0.0010259600000000, -0.0008474000000000 ]  - [   0.0225893300000000,  0.0245727900000000,  0.0095895100000000 ]  - [   0.0000000000000000, -0.0127472600000000, -0.0020468800000000 ]  - [   0.0000000000000000, -0.0044534200000000,  0.0003615300000000 ]  - [   0.0000000000000000,  0.0147011000000000, -0.0229695600000000 ]  - [   0.0000000000000000, -0.0014700200000000, -0.0002807900000000 ]  - [   0.0000000000000000,  0.0043760400000000, -0.0000381800000000 ]  - [   0.0000000000000000,  0.0025672400000000, -0.0000029800000000 ]  - [   0.0019086600000000, -0.0002862900000000,  0.0011467100000000 ]  - [  -0.0024026600000000, -0.0016739000000000, -0.0005739900000000 ]  - [   0.0029949600000000, -0.0008806700000000, -0.0006726400000000 ]  - [  -0.0227727200000000,  0.0250403600000000,  0.0098768900000000 ]  - [   0.0007110000000000,  0.0017542100000000,  0.0000290400000000 ]  - [  -0.0004734900000000,  0.0010741700000000,  0.0002132800000000 ]  - [   0.0007397300000000,  0.0017484000000000,  0.0003738500000000 ]  - [  -0.0007397300000000,  0.0017484000000000,  0.0003738500000000 ]  - [   0.0004734900000000,  0.0010741700000000,  0.0002132800000000 ]  - [  -0.0007110000000000,  0.0017542100000000,  0.0000290400000000 ]  - [   0.0024026600000000, -0.0016739000000000, -0.0005739900000000 ]  - [  -0.0019086600000000, -0.0002862900000000,  0.0011467100000000 ]  - [  -0.0000001800000000,  0.0041598500000000,  0.0000070400000000 ]  - [   0.0000001800000000,  0.0041598500000000,  0.0000070400000000 ]  - [   0.0007146800000000,  0.0012362700000000, -0.0003435000000000 ]  - [  -0.0004598300000000,  0.0032581600000000, -0.0009050000000000 ]  - [   0.0227727200000000,  0.0250403600000000,  0.0098768900000000 ]  - [  -0.0029949600000000, -0.0008806700000000, -0.0006726400000000 ]  - [   0.0008454300000000, -0.0098790200000000, -0.0004042100000000 ]  - [  -0.0008454300000000, -0.0098790200000000, -0.0004042100000000 ]  - [   0.0004598300000000,  0.0032581600000000, -0.0009050000000000 ]  - [  -0.0007146800000000,  0.0012362700000000, -0.0003435000000000 ]  - [   0.0000000900000000,  0.0036815000000000,  0.0001320400000000 ]  - [  -0.0000000900000000,  0.0036815000000000,  0.0001320400000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0004681400000000, -0.0004496300000000 ]  - [   0.0000000000000000, -0.0003807000000000, -0.0000354600000000 ]  - [  -0.0015344800000000,  0.0009253900000000,  0.0005382200000000 ]  - [   0.0015344800000000,  0.0009253900000000,  0.0005382200000000 ]  - [   0.0015296400000000,  0.0006618200000000,  0.0005269800000000 ]  - [  -0.0015296400000000,  0.0006618200000000,  0.0005269800000000 ]  - [   0.0000000000000000, -0.0002061300000000, -0.0004376600000000 ]  - [   0.0000000000000000, -0.0001264200000000, -0.0000341900000000 ]  - [   0.0000000000000000,  0.0008860900000000,  0.0003155600000000 ]  - [   0.0000000000000000, -0.0000069500000000,  0.0000504400000000 ]  - [   0.0011094400000000, -0.0027986600000000, -0.0013702800000000 ]  - [  -0.0011094400000000, -0.0027986600000000, -0.0013702800000000 ]  - [  -0.0011056900000000, -0.0027538500000000, -0.0013362900000000 ]  - [   0.0011056900000000, -0.0027538500000000, -0.0013362900000000 ]  - [   0.0000000000000000,  0.0008057500000000,  0.0003099800000000 ]  - [   0.0000000000000000, -0.0000756700000000,  0.0000492300000000 ]  - [   0.0000000000000000, -0.0273504900000000,  0.0244662300000000 ]  - [   0.0000000000000000,  0.0005738600000000,  0.0008958900000000 ]  - [   0.0000000000000000, -0.0029620800000000, -0.0121333400000000 ]  - [   0.0000000000000000,  0.0005153100000000, -0.0008078800000000 ]  - [  -0.0002368800000000,  0.0000661200000000,  0.0000048100000000 ]  - [   0.0002368800000000,  0.0000661200000000,  0.0000048100000000 ]  - [  -0.0000553300000000, -0.0001259100000000, -0.0001105300000000 ]  - [   0.0000553300000000, -0.0001259100000000, -0.0001105300000000 ]  - [   0.0000561500000000, -0.0001082900000000,  0.0002744400000000 ]  - [  -0.0000561500000000, -0.0001082900000000,  0.0002744400000000 ]  - [   0.0002345200000000,  0.0000812300000000, -0.0003782500000000 ]  - [  -0.0002345200000000,  0.0000812300000000, -0.0003782500000000 ]  - [   0.0000000000000000, -0.0030276200000000, -0.0117370000000000 ]  - [   0.0000000000000000,  0.0004982200000000, -0.0004246900000000 ]  - [   0.0000000000000000, -0.0286492300000000,  0.0245462700000000 ]  - [   0.0000000000000000,  0.0005567300000000,  0.0005100800000000 ]  - [   0.0000425000000000,  0.0001641100000000,  0.0000730600000000 ]  - [  -0.0000425000000000,  0.0001641100000000,  0.0000730600000000 ]  - [   0.0027970500000000,  0.0015387500000000,  0.0009767100000000 ]  - [  -0.0027970500000000,  0.0015387500000000,  0.0009767100000000 ]  - [   0.0002590400000000, -0.0001905900000000,  0.0000865600000000 ]  - [  -0.0000355600000000,  0.0000837600000000, -0.0000421700000000 ]  - [   0.0002635600000000,  0.0002079400000000, -0.0002458900000000 ]  - [   0.0000252800000000,  0.0001129900000000,  0.0000188600000000 ]  - [  -0.0002457500000000,  0.0000328300000000,  0.0006412100000000 ]  - [  -0.0014117300000000,  0.0004189500000000,  0.0027830100000000 ]  - [   0.0000000000000000, -0.0156192100000000,  0.0112301100000000 ]  - [   0.0000000000000000, -0.0002092900000000, -0.0000265700000000 ]  - [   0.0014117300000000,  0.0004189500000000,  0.0027830100000000 ]  - [   0.0002457500000000,  0.0000328300000000,  0.0006412100000000 ]  - [   0.0000355600000000,  0.0000837600000000, -0.0000421700000000 ]  - [  -0.0002590400000000, -0.0001905900000000,  0.0000865600000000 ]  - [   0.0000000000000000,  0.0701671600000000, -0.0418443200000000 ]  - [   0.0000000000000000, -0.0004909100000000, -0.0003555700000000 ]  - [  -0.0027602700000000,  0.0046391500000000, -0.0055629400000000 ]  - [   0.0003941000000000, -0.0001083200000000, -0.0005292800000000 ]  - [  -0.0000252800000000,  0.0001129900000000,  0.0000188600000000 ]  - [  -0.0002635600000000,  0.0002079400000000, -0.0002458900000000 ]  - [   0.0000000000000000, -0.0000259100000000, -0.0000104600000000 ]  - [   0.0000000000000000,  0.0001659600000000, -0.0000006200000000 ]  - [  -0.0003941000000000, -0.0001083200000000, -0.0005292800000000 ]  - [   0.0027602700000000,  0.0046391500000000, -0.0055629400000000 ]  - [   0.0000000000000000,  0.0020459400000000,  0.0054068600000000 ]  - [   0.0000000000000000, -0.0003629200000000,  0.0003831700000000 ]  - [   0.0000000000000000, -0.0152279400000000,  0.0111126400000000 ]  - [   0.0000000000000000, -0.0000506300000000, -0.0000257000000000 ]  - [   0.0000000000000000, -0.0002857200000000, -0.0000109600000000 ]  - [   0.0000000000000000, -0.0000563100000000, -0.0000008300000000 ]  - [   0.0003653000000000,  0.0001841000000000,  0.0004666900000000 ]  - [   0.0015174900000000,  0.0005810100000000,  0.0025971700000000 ]  - [   0.0005103500000000,  0.0000453000000000, -0.0003566900000000 ]  - [  -0.0026236400000000,  0.0047552200000000, -0.0054233500000000 ]  - [  -0.0001385000000000, -0.0003396400000000,  0.0002582000000000 ]  - [   0.0001440200000000, -0.0000680900000000,  0.0001394400000000 ]  - [  -0.0000436000000000,  0.0000037800000000,  0.0000714100000000 ]  - [   0.0000436000000000,  0.0000037800000000,  0.0000714100000000 ]  - [  -0.0001440200000000, -0.0000680900000000,  0.0001394400000000 ]  - [   0.0001385000000000, -0.0003396400000000,  0.0002582000000000 ]  - [  -0.0015174900000000,  0.0005810100000000,  0.0025971700000000 ]  - [  -0.0003653000000000,  0.0001841000000000,  0.0004666900000000 ]  - [  -0.0000007300000000,  0.0000090600000000, -0.0000129600000000 ]  - [   0.0000007300000000,  0.0000090600000000, -0.0000129600000000 ]  - [  -0.0000838100000000, -0.0000395900000000, -0.0001622200000000 ]  - [   0.0001426500000000,  0.0000520000000000, -0.0004141600000000 ]  - [   0.0026236400000000,  0.0047552200000000, -0.0054233500000000 ]  - [  -0.0005103500000000,  0.0000453000000000, -0.0003566900000000 ]  - [  -0.0027662400000000,  0.0017830400000000,  0.0009724800000000 ]  - [   0.0027662400000000,  0.0017830400000000,  0.0009724800000000 ]  - [  -0.0001426500000000,  0.0000520000000000, -0.0004141600000000 ]  - [   0.0000838100000000, -0.0000395900000000, -0.0001622200000000 ]  - [  -0.0000001300000000, -0.0001299900000000,  0.0000449800000000 ]  - [   0.0000001300000000, -0.0001299900000000,  0.0000449800000000 ]