# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/8c817d33-a76d-4152-9b4f-a9b286c80ef6/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 Sr2GaSbO6 / I4/m (87) / materials id 6304](https://mdr.nims.go.jp/datasets/6113e7e8-e695-4181-b356-b0c733e70b04)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  nac_unit_conversion_factor: 14.399652  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "I4/m"  number: 87  Hall_symbol: "-I 4"primitive_matrix:- [ -0.500000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000, -0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000, -0.500000000000000 ]supercell_matrix:- [   2,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [    -2.763120705000000,     2.763120705000000,     4.003675990000000 ] # a  - [     2.763120705000000,    -2.763120705000000,     4.003675990000000 ] # b  - [     2.763120705000000,     2.763120705000000,    -4.003675990000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.792774200000000,  0.709034720000000,  0.501808920000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.290965280000000,  0.792774200000000,  0.083739480000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.709034720000000,  0.207225800000000,  0.916260520000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.207225800000000,  0.290965280000000,  0.498191080000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.748734670000000,  0.748734670000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.251265330000000,  0.251265330000000,  0.000000000000000 ]    mass: 15.999400  - symbol: Ga # 7    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 69.723000  - symbol: Sr # 8    coordinates: [  0.750000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 87.620000  - symbol: Sr # 9    coordinates: [  0.250000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 87.620000  - symbol: Sb # 10    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 121.760000  reciprocal_lattice: # without 2pi  - [     0.000000000000000,     0.180954816449106,     0.124885230785122 ] # a*  - [     0.180954816449106,     0.000000000000000,     0.124885230785122 ] # b*  - [     0.180954816449106,     0.180954816449106,     0.000000000000000 ] # c*unit_cell:  lattice:  - [     5.526241410000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     5.526241410000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.007351979999999 ] # c  points:  - symbol: O  # 1    coordinates: [  0.709034720000000,  0.792774200000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.292774200000000,  0.790965280000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.207225800000000,  0.709034720000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.790965280000000,  0.707225800000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.500000000000000,  0.500000000000000,  0.248734670000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.000000000000000,  0.000000000000000,  0.251265330000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.209034720000000,  0.292774200000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 8    coordinates: [  0.792774200000000,  0.290965280000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 9    coordinates: [  0.707225800000000,  0.209034720000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 10    coordinates: [  0.290965280000000,  0.207225800000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 11    coordinates: [  0.000000000000000,  0.000000000000000,  0.748734670000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 12    coordinates: [  0.500000000000000,  0.500000000000000,  0.751265330000000 ]    mass: 15.999400    reduced_to: 6  - symbol: Ga # 13    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 69.723000    reduced_to: 13  - symbol: Ga # 14    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 69.723000    reduced_to: 13  - symbol: Sr # 15    coordinates: [  0.000000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 15  - symbol: Sr # 16    coordinates: [  0.500000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 16  - symbol: Sr # 17    coordinates: [  0.500000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 15  - symbol: Sr # 18    coordinates: [  0.000000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 16  - symbol: Sb # 19    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 19  - symbol: Sb # 20    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 19supercell:  lattice:  - [    11.052482820000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    11.052482820000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.007351979999999 ] # c  points:  - symbol: O  # 1    coordinates: [  0.354517360000000,  0.396387100000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.854517360000000,  0.396387100000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 3    coordinates: [  0.354517360000000,  0.896387100000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 4    coordinates: [  0.854517360000000,  0.896387100000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 5    coordinates: [  0.146387100000000,  0.395482640000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.646387100000000,  0.395482640000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 7    coordinates: [  0.146387100000000,  0.895482640000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 8    coordinates: [  0.646387100000000,  0.895482640000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 9    coordinates: [  0.103612900000000,  0.354517360000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.603612900000000,  0.354517360000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 11    coordinates: [  0.103612900000000,  0.854517360000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 12    coordinates: [  0.603612900000000,  0.854517360000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 13    coordinates: [  0.395482640000000,  0.353612900000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.895482640000000,  0.353612900000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 15    coordinates: [  0.395482640000000,  0.853612900000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 16    coordinates: [  0.895482640000000,  0.853612900000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 17    coordinates: [  0.250000000000000,  0.250000000000000,  0.248734670000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.750000000000000,  0.250000000000000,  0.248734670000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 19    coordinates: [  0.250000000000000,  0.750000000000000,  0.248734670000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 20    coordinates: [  0.750000000000000,  0.750000000000000,  0.248734670000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 21    coordinates: [  0.000000000000000,  0.000000000000000,  0.251265330000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.500000000000000,  0.000000000000000,  0.251265330000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 23    coordinates: [  0.000000000000000,  0.500000000000000,  0.251265330000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 24    coordinates: [  0.500000000000000,  0.500000000000000,  0.251265330000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 25    coordinates: [  0.104517360000000,  0.146387100000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 26    coordinates: [  0.604517360000000,  0.146387100000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 27    coordinates: [  0.104517360000000,  0.646387100000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 28    coordinates: [  0.604517360000000,  0.646387100000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 29    coordinates: [  0.396387100000000,  0.145482640000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 30    coordinates: [  0.896387100000000,  0.145482640000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 31    coordinates: [  0.396387100000000,  0.645482640000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 32    coordinates: [  0.896387100000000,  0.645482640000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 33    coordinates: [  0.353612900000000,  0.104517360000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 34    coordinates: [  0.853612900000000,  0.104517360000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 35    coordinates: [  0.353612900000000,  0.604517360000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 36    coordinates: [  0.853612900000000,  0.604517360000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 37    coordinates: [  0.145482640000000,  0.103612900000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 38    coordinates: [  0.645482640000000,  0.103612900000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 39    coordinates: [  0.145482640000000,  0.603612900000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 40    coordinates: [  0.645482640000000,  0.603612900000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 41    coordinates: [  0.000000000000000,  0.000000000000000,  0.748734670000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 42    coordinates: [  0.500000000000000,  0.000000000000000,  0.748734670000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 43    coordinates: [  0.000000000000000,  0.500000000000000,  0.748734670000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 44    coordinates: [  0.500000000000000,  0.500000000000000,  0.748734670000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 45    coordinates: [  0.250000000000000,  0.250000000000000,  0.751265330000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 46    coordinates: [  0.750000000000000,  0.250000000000000,  0.751265330000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 47    coordinates: [  0.250000000000000,  0.750000000000000,  0.751265330000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 48    coordinates: [  0.750000000000000,  0.750000000000000,  0.751265330000000 ]    mass: 15.999400    reduced_to: 21  - symbol: Ga # 49    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 69.723000    reduced_to: 49  - symbol: Ga # 50    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 69.723000    reduced_to: 49  - symbol: Ga # 51    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 69.723000    reduced_to: 49  - symbol: Ga # 52    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 69.723000    reduced_to: 49  - symbol: Ga # 53    coordinates: [  0.250000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 69.723000    reduced_to: 49  - symbol: Ga # 54    coordinates: [  0.750000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 69.723000    reduced_to: 49  - symbol: Ga # 55    coordinates: [  0.250000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 69.723000    reduced_to: 49  - symbol: Ga # 56    coordinates: [  0.750000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 69.723000    reduced_to: 49  - symbol: Sr # 57    coordinates: [  0.000000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 57  - symbol: Sr # 58    coordinates: [  0.500000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 57  - symbol: Sr # 59    coordinates: [  0.000000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 57  - symbol: Sr # 60    coordinates: [  0.500000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 57  - symbol: Sr # 61    coordinates: [  0.250000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 61  - symbol: Sr # 62    coordinates: [  0.750000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 61  - symbol: Sr # 63    coordinates: [  0.250000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 61  - symbol: Sr # 64    coordinates: [  0.750000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 61  - symbol: Sr # 65    coordinates: [  0.250000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 57  - symbol: Sr # 66    coordinates: [  0.750000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 57  - symbol: Sr # 67    coordinates: [  0.250000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 57  - symbol: Sr # 68    coordinates: [  0.750000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 57  - symbol: Sr # 69    coordinates: [  0.000000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 61  - symbol: Sr # 70    coordinates: [  0.500000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 61  - symbol: Sr # 71    coordinates: [  0.000000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 61  - symbol: Sr # 72    coordinates: [  0.500000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 61  - symbol: Sb # 73    coordinates: [  0.250000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 73  - symbol: Sb # 74    coordinates: [  0.750000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 73  - symbol: Sb # 75    coordinates: [  0.250000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 73  - symbol: Sb # 76    coordinates: [  0.750000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 73  - symbol: Sb # 77    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 73  - symbol: Sb # 78    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 73  - symbol: Sb # 79    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 73  - symbol: Sb # 80    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 73born_effective_charge:- # 1 (O)  - [ -2.433511280000000, -0.717795350000000,  0.000000000000000 ]  - [ -0.652579390000000, -2.472390860000000,  0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000, -1.817705470000000 ]- # 2 (O)  - [ -2.472390860000000,  0.652579390000000,  0.000000000000000 ]  - [  0.717795350000000, -2.433511280000000, -0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.817705470000000 ]- # 3 (O)  - [ -2.472390860000000,  0.652579390000000,  0.000000000000000 ]  - [  0.717795350000000, -2.433511280000000, -0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.817705470000000 ]- # 4 (O)  - [ -2.433511280000000, -0.717795350000000,  0.000000000000000 ]  - [ -0.652579390000000, -2.472390860000000,  0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000, -1.817705470000000 ]- # 5 (O)  - [ -1.752963340000000,  0.002978910000000, -0.000000000000000 ]  - [ -0.002978910000000, -1.752963340000000, -0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000, -3.287748470000000 ]- # 6 (O)  - [ -1.752963340000000,  0.002978910000000, -0.000000000000000 ]  - [ -0.002978910000000, -1.752963340000000, -0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000, -3.287748470000000 ]- # 7 (Ga)  - [  3.714158230000000, -0.331092210000000,  0.000000000000000 ]  - [  0.331092210000000,  3.714158230000000, -0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.857576530000000 ]- # 8 (Sr)  - [  2.485089870000000,  0.022603530000000,  0.000000000000000 ]  - [ -0.022603530000000,  2.485089870000000,  0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000,  2.657580640000000 ]- # 9 (Sr)  - [  2.485089870000000,  0.022603530000000,  0.000000000000000 ]  - [ -0.022603530000000,  2.485089870000000,  0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000,  2.657580640000000 ]- # 10 (Sb)  - [  4.633392990000000,  0.410359260000000, -0.000000000000000 ]  - [ -0.410359260000000,  4.633392990000000,  0.000000000000000 ]  - [ -0.000000000000000, -0.000000000000000,  4.673581020000000 ]dielectric_constant:  - [  4.510303660000000,  0.000001130000000,  0.000000000000000 ]  - [ -0.000001130000000,  4.510303660000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  4.539356560000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.1386435500000000, -0.0868628400000000,  0.0000000000000000 ]  - [   0.0081989900000000,  0.0020716400000000,  0.0000000000000000 ]  - [  -0.0010665600000000,  0.0016863500000000,  0.0000000000000000 ]  - [   0.0011437800000000,  0.0006053000000000,  0.0000000000000000 ]  - [   0.0016061800000000, -0.0010194200000000,  0.0000000000000000 ]  - [   0.0022991000000000, -0.0021509800000000,  0.0000000000000000 ]  - [  -0.0003371300000000,  0.0007778600000000,  0.0000000000000000 ]  - [   0.0000471000000000,  0.0005376100000000,  0.0000000000000000 ]  - [   0.0219331200000000,  0.0018623800000000,  0.0000000000000000 ]  - [   0.0249687900000000, -0.0110785800000000,  0.0000000000000000 ]  - [  -0.0000669200000000, -0.0000278000000000,  0.0000000000000000 ]  - [   0.0001984000000000,  0.0004882600000000,  0.0000000000000000 ]  - [  -0.0050232900000000, -0.0031781800000000,  0.0000000000000000 ]  - [   0.0026083900000000,  0.0006199000000000,  0.0000000000000000 ]  - [  -0.0008097900000000,  0.0007291800000000,  0.0000000000000000 ]  - [   0.0009745900000000,  0.0004335000000000,  0.0000000000000000 ]  - [  -0.0009594700000000,  0.0052625400000000, -0.0109661100000000 ]  - [   0.0022926600000000, -0.0009862600000000,  0.0020042500000000 ]  - [  -0.0014002000000000, -0.0002864000000000,  0.0005036700000000 ]  - [   0.0009880700000000,  0.0004532300000000, -0.0001012300000000 ]  - [   0.0008129100000000,  0.0007195600000000, -0.0000162800000000 ]  - [  -0.0007865000000000, -0.0000257500000000,  0.0002292300000000 ]  - [   0.0019597400000000, -0.0011014200000000, -0.0016261200000000 ]  - [   0.0032208700000000,  0.0046389700000000,  0.0159658400000000 ]  - [   0.0026089100000000,  0.0028325500000000,  0.0000000000000000 ]  - [  -0.0002165500000000, -0.0016904700000000,  0.0000000000000000 ]  - [  -0.0002190000000000, -0.0014320300000000,  0.0000000000000000 ]  - [   0.0026067000000000,  0.0032759200000000,  0.0000000000000000 ]  - [  -0.0062493900000000, -0.0017961900000000,  0.0000000000000000 ]  - [   0.0023466200000000,  0.0000242700000000,  0.0000000000000000 ]  - [  -0.0069852600000000,  0.0110133100000000,  0.0000000000000000 ]  - [   0.0017646300000000, -0.0004887600000000,  0.0000000000000000 ]  - [  -0.0036859800000000,  0.0021268900000000,  0.0000000000000000 ]  - [   0.0020867100000000, -0.0005224000000000,  0.0000000000000000 ]  - [  -0.0049474100000000,  0.0010281900000000,  0.0000000000000000 ]  - [   0.0021256300000000, -0.0007768500000000,  0.0000000000000000 ]  - [   0.0014313200000000,  0.0041942300000000,  0.0000000000000000 ]  - [  -0.0003930200000000, -0.0026381300000000,  0.0000000000000000 ]  - [  -0.0001867500000000, -0.0053325500000000,  0.0000000000000000 ]  - [   0.0018120500000000,  0.0016600200000000,  0.0000000000000000 ]  - [   0.0008129100000000,  0.0007195600000000,  0.0000162800000000 ]  - [  -0.0007865000000000, -0.0000257500000000, -0.0002292300000000 ]  - [   0.0019597400000000, -0.0011014200000000,  0.0016261200000000 ]  - [   0.0032208700000000,  0.0046389700000000, -0.0159658400000000 ]  - [  -0.0009594700000000,  0.0052625400000000,  0.0109661100000000 ]  - [   0.0022926600000000, -0.0009862600000000, -0.0020042500000000 ]  - [  -0.0014002000000000, -0.0002864000000000, -0.0005036700000000 ]  - [   0.0009880700000000,  0.0004532300000000,  0.0001012300000000 ]  - [  -0.0019832600000000, -0.0011706000000000,  0.0000000000000000 ]  - [   0.0015863100000000, -0.0010993700000000,  0.0000000000000000 ]  - [  -0.0074637100000000,  0.0073105300000000,  0.0000000000000000 ]  - [   0.0270790500000000,  0.0134826500000000,  0.0000000000000000 ]  - [   0.0035634700000000,  0.0014784200000000,  0.0000000000000000 ]  - [  -0.0026995400000000,  0.0011279900000000,  0.0000000000000000 ]  - [   0.0017578200000000, -0.0004546700000000,  0.0000000000000000 ]  - [  -0.0027186700000000, -0.0009365200000000,  0.0000000000000000 ]  - [  -0.0038018500000000, -0.0013707500000000,  0.0022606000000000 ]  - [   0.0014189600000000,  0.0053159100000000, -0.0054933300000000 ]  - [  -0.0008815600000000,  0.0003846600000000,  0.0001045800000000 ]  - [   0.0004368000000000, -0.0019992700000000, -0.0005762100000000 ]  - [   0.0011517100000000, -0.0020736400000000, -0.0002458300000000 ]  - [  -0.0010556800000000,  0.0001682400000000, -0.0001305700000000 ]  - [   0.0094335500000000,  0.0005138500000000, -0.0023853900000000 ]  - [  -0.0034387500000000, -0.0005697700000000, -0.0004398700000000 ]  - [   0.0011517100000000, -0.0020736400000000,  0.0002458300000000 ]  - [  -0.0010556800000000,  0.0001682400000000,  0.0001305700000000 ]  - [   0.0094335500000000,  0.0005138500000000,  0.0023853900000000 ]  - [  -0.0034387500000000, -0.0005697700000000,  0.0004398700000000 ]  - [  -0.0038018500000000, -0.0013707500000000, -0.0022606000000000 ]  - [   0.0014189600000000,  0.0053159100000000,  0.0054933300000000 ]  - [  -0.0008815600000000,  0.0003846600000000, -0.0001045800000000 ]  - [   0.0004368000000000, -0.0019992700000000,  0.0005762100000000 ]  - [   0.0536966300000000,  0.0404282700000000,  0.0000000000000000 ]  - [  -0.0107287200000000,  0.0055351700000000,  0.0000000000000000 ]  - [   0.0081130100000000,  0.0002077200000000,  0.0000000000000000 ]  - [  -0.0027011300000000, -0.0013251100000000,  0.0000000000000000 ]  - [  -0.0024486000000000, -0.0024172300000000,  0.0000000000000000 ]  - [   0.0031493400000000, -0.0001634900000000,  0.0000000000000000 ]  - [  -0.0036007200000000,  0.0012066800000000,  0.0000000000000000 ]  - [   0.0046858400000000,  0.0017300000000000,  0.0000000000000000 ]- atom:    1  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.1379985000000000,  0.0873755200000000,  0.0000000000000000 ]  - [  -0.0081701000000000, -0.0020524900000000,  0.0000000000000000 ]  - [   0.0010799200000000, -0.0016526000000000,  0.0000000000000000 ]  - [  -0.0011447800000000, -0.0006069300000000,  0.0000000000000000 ]  - [  -0.0015980100000000,  0.0010225400000000,  0.0000000000000000 ]  - [  -0.0022823200000000,  0.0021251500000000,  0.0000000000000000 ]  - [   0.0003360100000000, -0.0007715400000000,  0.0000000000000000 ]  - [  -0.0000639400000000, -0.0005196600000000,  0.0000000000000000 ]  - [  -0.0224100100000000, -0.0019063200000000,  0.0000000000000000 ]  - [  -0.0245559400000000,  0.0108970200000000,  0.0000000000000000 ]  - [   0.0000787500000000,  0.0000257700000000,  0.0000000000000000 ]  - [  -0.0001997300000000, -0.0004855800000000,  0.0000000000000000 ]  - [   0.0050070500000000,  0.0031666000000000,  0.0000000000000000 ]  - [  -0.0026081900000000, -0.0006195300000000,  0.0000000000000000 ]  - [   0.0008133100000000, -0.0007164400000000,  0.0000000000000000 ]  - [  -0.0009616000000000, -0.0004221700000000,  0.0000000000000000 ]  - [   0.0010296800000000, -0.0052612000000000,  0.0109782600000000 ]  - [  -0.0022845900000000,  0.0009734000000000, -0.0019618700000000 ]  - [   0.0014004100000000,  0.0002870800000000, -0.0005054600000000 ]  - [  -0.0009868300000000, -0.0004487200000000,  0.0000896500000000 ]  - [  -0.0008060400000000, -0.0007181600000000,  0.0000230900000000 ]  - [   0.0007773600000000,  0.0000306700000000, -0.0002483200000000 ]  - [  -0.0019524400000000,  0.0011072700000000,  0.0016396700000000 ]  - [  -0.0032168300000000, -0.0046044300000000, -0.0157979200000000 ]  - [  -0.0025958300000000, -0.0028275300000000,  0.0000000000000000 ]  - [   0.0002183300000000,  0.0016780800000000,  0.0000000000000000 ]  - [   0.0002266400000000,  0.0014269200000000,  0.0000000000000000 ]  - [  -0.0025954800000000, -0.0032561700000000,  0.0000000000000000 ]  - [   0.0061711100000000,  0.0019656700000000,  0.0000000000000000 ]  - [  -0.0023522800000000, -0.0000304200000000,  0.0000000000000000 ]  - [   0.0068855000000000, -0.0109601200000000,  0.0000000000000000 ]  - [  -0.0017600100000000,  0.0004896000000000,  0.0000000000000000 ]  - [   0.0036891500000000, -0.0021391900000000,  0.0000000000000000 ]  - [  -0.0020782800000000,  0.0005241800000000,  0.0000000000000000 ]  - [   0.0049301800000000, -0.0010127500000000,  0.0000000000000000 ]  - [  -0.0021139100000000,  0.0007719200000000,  0.0000000000000000 ]  - [  -0.0013905600000000, -0.0041601700000000,  0.0000000000000000 ]  - [   0.0003665300000000,  0.0026019700000000,  0.0000000000000000 ]  - [   0.0001860500000000,  0.0053531700000000,  0.0000000000000000 ]  - [  -0.0018264500000000, -0.0016624500000000,  0.0000000000000000 ]  - [  -0.0008060400000000, -0.0007181600000000, -0.0000230900000000 ]  - [   0.0007773600000000,  0.0000306700000000,  0.0002483200000000 ]  - [  -0.0019524400000000,  0.0011072700000000, -0.0016396700000000 ]  - [  -0.0032168300000000, -0.0046044300000000,  0.0157979200000000 ]  - [   0.0010296800000000, -0.0052612000000000, -0.0109782600000000 ]  - [  -0.0022845900000000,  0.0009734000000000,  0.0019618700000000 ]  - [   0.0014004100000000,  0.0002870800000000,  0.0005054600000000 ]  - [  -0.0009868300000000, -0.0004487200000000, -0.0000896500000000 ]  - [   0.0019691200000000,  0.0011699500000000,  0.0000000000000000 ]  - [  -0.0015210900000000,  0.0010474300000000,  0.0000000000000000 ]  - [   0.0074679400000000, -0.0073633900000000,  0.0000000000000000 ]  - [  -0.0251305700000000, -0.0116977200000000,  0.0000000000000000 ]  - [  -0.0035449700000000, -0.0014715800000000,  0.0000000000000000 ]  - [   0.0026982100000000, -0.0011183400000000,  0.0000000000000000 ]  - [  -0.0017549100000000,  0.0004456700000000,  0.0000000000000000 ]  - [   0.0027139100000000,  0.0009254400000000,  0.0000000000000000 ]  - [   0.0037818800000000,  0.0013854300000000, -0.0022804000000000 ]  - [  -0.0013383900000000, -0.0053097400000000,  0.0055131000000000 ]  - [   0.0008774100000000, -0.0003896100000000, -0.0001059500000000 ]  - [  -0.0004316900000000,  0.0019904100000000,  0.0005780900000000 ]  - [  -0.0011574100000000,  0.0020557200000000,  0.0002488500000000 ]  - [   0.0010571600000000, -0.0001624700000000,  0.0001260200000000 ]  - [  -0.0094867000000000, -0.0004145600000000,  0.0025492100000000 ]  - [   0.0034343900000000,  0.0005582600000000,  0.0004344000000000 ]  - [  -0.0011574100000000,  0.0020557200000000, -0.0002488500000000 ]  - [   0.0010571600000000, -0.0001624700000000, -0.0001260200000000 ]  - [  -0.0094867000000000, -0.0004145600000000, -0.0025492100000000 ]  - [   0.0034343900000000,  0.0005582600000000, -0.0004344000000000 ]  - [   0.0037818800000000,  0.0013854300000000,  0.0022804000000000 ]  - [  -0.0013383900000000, -0.0053097400000000, -0.0055131000000000 ]  - [   0.0008774100000000, -0.0003896100000000,  0.0001059500000000 ]  - [  -0.0004316900000000,  0.0019904100000000, -0.0005780900000000 ]  - [  -0.0550722500000000, -0.0429988700000000,  0.0000000000000000 ]  - [   0.0107054800000000, -0.0054861200000000,  0.0000000000000000 ]  - [  -0.0081155600000000, -0.0002074100000000,  0.0000000000000000 ]  - [   0.0027016100000000,  0.0013165000000000,  0.0000000000000000 ]  - [   0.0024290500000000,  0.0024057500000000,  0.0000000000000000 ]  - [  -0.0031332300000000,  0.0001654100000000,  0.0000000000000000 ]  - [   0.0035729600000000, -0.0012006100000000,  0.0000000000000000 ]  - [  -0.0046600300000000, -0.0017128300000000,  0.0000000000000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0857630400000000, -0.1531395300000000,  0.0000000000000000 ]  - [   0.0020452500000000, -0.0006585000000000,  0.0000000000000000 ]  - [   0.0016638300000000,  0.0076902000000000,  0.0000000000000000 ]  - [   0.0006051800000000,  0.0012325600000000,  0.0000000000000000 ]  - [   0.0006440200000000, -0.0049272600000000,  0.0000000000000000 ]  - [   0.0023151500000000, -0.0036916700000000,  0.0000000000000000 ]  - [  -0.0006358000000000,  0.0021210100000000,  0.0000000000000000 ]  - [  -0.0007590000000000,  0.0020870300000000,  0.0000000000000000 ]  - [   0.0073007600000000, -0.0061324400000000,  0.0000000000000000 ]  - [   0.0026726000000000, -0.0068963400000000,  0.0000000000000000 ]  - [  -0.0008131000000000,  0.0023462700000000,  0.0000000000000000 ]  - [   0.0001485400000000,  0.0017585600000000,  0.0000000000000000 ]  - [  -0.0031636700000000, -0.0055579500000000,  0.0000000000000000 ]  - [   0.0006155100000000, -0.0009160500000000,  0.0000000000000000 ]  - [   0.0007230200000000,  0.0028127500000000,  0.0000000000000000 ]  - [   0.0004304400000000,  0.0011312400000000,  0.0000000000000000 ]  - [   0.0049540100000000,  0.0030146000000000, -0.0128051900000000 ]  - [   0.0001813800000000, -0.0008036600000000,  0.0000127000000000 ]  - [  -0.0010769700000000,  0.0024102100000000,  0.0015022100000000 ]  - [   0.0005709400000000,  0.0007787900000000, -0.0000510000000000 ]  - [   0.0005851900000000,  0.0011384800000000,  0.0000237500000000 ]  - [  -0.0009159400000000,  0.0019966800000000, -0.0018785200000000 ]  - [  -0.0005165800000000, -0.0012994000000000, -0.0004742100000000 ]  - [   0.0049239900000000,  0.0000936300000000,  0.0136441800000000 ]  - [   0.0032530200000000,  0.0028554300000000,  0.0000000000000000 ]  - [  -0.0014172300000000, -0.0000887700000000,  0.0000000000000000 ]  - [  -0.0016902700000000, -0.0001037600000000,  0.0000000000000000 ]  - [   0.0028232000000000,  0.0028554000000000,  0.0000000000000000 ]  - [  -0.0072115300000000,  0.0219169000000000,  0.0000000000000000 ]  - [   0.0008061900000000, -0.0000647400000000,  0.0000000000000000 ]  - [  -0.0027419600000000,  0.0249441200000000,  0.0000000000000000 ]  - [  -0.0001446800000000,  0.0001947400000000,  0.0000000000000000 ]  - [  -0.0022977900000000,  0.0022813900000000,  0.0000000000000000 ]  - [   0.0007526800000000,  0.0000662000000000,  0.0000000000000000 ]  - [  -0.0006535500000000,  0.0015948200000000,  0.0000000000000000 ]  - [   0.0006334800000000, -0.0003416700000000,  0.0000000000000000 ]  - [   0.0041751400000000,  0.0051547900000000,  0.0000000000000000 ]  - [  -0.0026010000000000, -0.0010019700000000,  0.0000000000000000 ]  - [  -0.0053565900000000,  0.0013455100000000,  0.0000000000000000 ]  - [   0.0016525800000000,  0.0004287300000000,  0.0000000000000000 ]  - [   0.0005851900000000,  0.0011384800000000, -0.0000237500000000 ]  - [  -0.0009159400000000,  0.0019966800000000,  0.0018785200000000 ]  - [  -0.0005165800000000, -0.0012994000000000,  0.0004742100000000 ]  - [   0.0049239900000000,  0.0000936300000000, -0.0136441800000000 ]  - [   0.0049540100000000,  0.0030146000000000,  0.0128051900000000 ]  - [   0.0001813800000000, -0.0008036600000000, -0.0000127000000000 ]  - [  -0.0010769700000000,  0.0024102100000000, -0.0015022100000000 ]  - [   0.0005709400000000,  0.0007787900000000,  0.0000510000000000 ]  - [  -0.0014548500000000, -0.0025759600000000,  0.0000000000000000 ]  - [   0.0054599600000000, -0.0091827300000000,  0.0000000000000000 ]  - [   0.0002366300000000,  0.0063237900000000,  0.0000000000000000 ]  - [   0.0094944900000000,  0.0163987600000000,  0.0000000000000000 ]  - [   0.0016995100000000,  0.0039138200000000,  0.0000000000000000 ]  - [  -0.0003386700000000,  0.0024523500000000,  0.0000000000000000 ]  - [   0.0007835900000000, -0.0031979400000000,  0.0000000000000000 ]  - [  -0.0017843700000000, -0.0020550500000000,  0.0000000000000000 ]  - [  -0.0025138400000000,  0.0006059900000000,  0.0010252800000000 ]  - [   0.0048580300000000,  0.0027535000000000,  0.0047724300000000 ]  - [   0.0005741900000000, -0.0010959000000000, -0.0003152900000000 ]  - [  -0.0011913500000000, -0.0033594200000000, -0.0015160100000000 ]  - [  -0.0005130000000000, -0.0041474900000000,  0.0007416900000000 ]  - [   0.0001018100000000, -0.0009644100000000, -0.0000249500000000 ]  - [   0.0008625700000000,  0.0083512600000000,  0.0010361700000000 ]  - [  -0.0017996000000000,  0.0009183800000000,  0.0004245000000000 ]  - [  -0.0005130000000000, -0.0041474900000000, -0.0007416900000000 ]  - [   0.0001018100000000, -0.0009644100000000,  0.0000249500000000 ]  - [   0.0008625700000000,  0.0083512600000000, -0.0010361700000000 ]  - [  -0.0017996000000000,  0.0009183800000000, -0.0004245000000000 ]  - [  -0.0025138400000000,  0.0006059900000000, -0.0010252800000000 ]  - [   0.0048580300000000,  0.0027535000000000, -0.0047724300000000 ]  - [   0.0005741900000000, -0.0010959000000000,  0.0003152900000000 ]  - [  -0.0011913500000000, -0.0033594200000000,  0.0015160100000000 ]  - [   0.0429787100000000,  0.0759091700000000,  0.0000000000000000 ]  - [  -0.0016370700000000,  0.0023010300000000,  0.0000000000000000 ]  - [   0.0081000200000000, -0.0102102600000000,  0.0000000000000000 ]  - [  -0.0013005100000000, -0.0022855300000000,  0.0000000000000000 ]  - [  -0.0015084400000000, -0.0035929200000000,  0.0000000000000000 ]  - [   0.0014956200000000, -0.0034672800000000,  0.0000000000000000 ]  - [   0.0003212700000000,  0.0022660400000000,  0.0000000000000000 ]  - [   0.0012730300000000,  0.0049232000000000,  0.0000000000000000 ]- atom:    1  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0884950200000000,  0.1568007300000000,  0.0000000000000000 ]  - [  -0.0020726000000000,  0.0006412000000000,  0.0000000000000000 ]  - [  -0.0016760900000000, -0.0077089900000000,  0.0000000000000000 ]  - [  -0.0006072600000000, -0.0012371400000000,  0.0000000000000000 ]  - [  -0.0006714000000000,  0.0049535700000000,  0.0000000000000000 ]  - [  -0.0023053800000000,  0.0036868300000000,  0.0000000000000000 ]  - [   0.0006263400000000, -0.0021206300000000,  0.0000000000000000 ]  - [   0.0007625300000000, -0.0020891000000000,  0.0000000000000000 ]  - [  -0.0073142000000000,  0.0062854900000000,  0.0000000000000000 ]  - [  -0.0028222500000000,  0.0069767600000000,  0.0000000000000000 ]  - [   0.0008113700000000, -0.0023521500000000,  0.0000000000000000 ]  - [  -0.0001390200000000, -0.0017628200000000,  0.0000000000000000 ]  - [   0.0031840200000000,  0.0055871000000000,  0.0000000000000000 ]  - [  -0.0006258000000000,  0.0009176700000000,  0.0000000000000000 ]  - [  -0.0007247500000000, -0.0028190500000000,  0.0000000000000000 ]  - [  -0.0004263100000000, -0.0011274700000000,  0.0000000000000000 ]  - [  -0.0050033500000000, -0.0030063100000000,  0.0130244100000000 ]  - [  -0.0001871000000000,  0.0008165100000000, -0.0000303300000000 ]  - [   0.0010720400000000, -0.0024181800000000, -0.0014900500000000 ]  - [  -0.0005717000000000, -0.0007842500000000,  0.0000416300000000 ]  - [  -0.0005903100000000, -0.0011389600000000, -0.0000211200000000 ]  - [   0.0009271100000000, -0.0020019400000000,  0.0019056600000000 ]  - [   0.0005169400000000,  0.0012997200000000,  0.0004686900000000 ]  - [  -0.0049311600000000, -0.0001419800000000, -0.0136252300000000 ]  - [  -0.0032827400000000, -0.0028766800000000,  0.0000000000000000 ]  - [   0.0014360100000000,  0.0001030900000000,  0.0000000000000000 ]  - [   0.0016881700000000,  0.0000921300000000,  0.0000000000000000 ]  - [  -0.0028344100000000, -0.0028709300000000,  0.0000000000000000 ]  - [   0.0074074100000000, -0.0224283800000000,  0.0000000000000000 ]  - [  -0.0008167900000000,  0.0000789800000000,  0.0000000000000000 ]  - [   0.0027494100000000, -0.0245815200000000,  0.0000000000000000 ]  - [   0.0001418800000000, -0.0002021200000000,  0.0000000000000000 ]  - [   0.0023198300000000, -0.0022959700000000,  0.0000000000000000 ]  - [  -0.0007615200000000, -0.0000509700000000,  0.0000000000000000 ]  - [   0.0006570100000000, -0.0016058600000000,  0.0000000000000000 ]  - [  -0.0006279200000000,  0.0003322300000000,  0.0000000000000000 ]  - [  -0.0041789900000000, -0.0051412200000000,  0.0000000000000000 ]  - [   0.0026387200000000,  0.0010362600000000,  0.0000000000000000 ]  - [   0.0053247500000000, -0.0013413900000000,  0.0000000000000000 ]  - [  -0.0016699200000000, -0.0004518200000000,  0.0000000000000000 ]  - [  -0.0005903100000000, -0.0011389600000000,  0.0000211200000000 ]  - [   0.0009271100000000, -0.0020019400000000, -0.0019056600000000 ]  - [   0.0005169400000000,  0.0012997200000000, -0.0004686900000000 ]  - [  -0.0049311600000000, -0.0001419800000000,  0.0136252300000000 ]  - [  -0.0050033500000000, -0.0030063100000000, -0.0130244100000000 ]  - [  -0.0001871000000000,  0.0008165100000000,  0.0000303300000000 ]  - [   0.0010720400000000, -0.0024181800000000,  0.0014900500000000 ]  - [  -0.0005717000000000, -0.0007842500000000, -0.0000416300000000 ]  - [   0.0014673600000000,  0.0025786900000000,  0.0000000000000000 ]  - [  -0.0055246700000000,  0.0092442500000000,  0.0000000000000000 ]  - [  -0.0002337500000000, -0.0063099500000000,  0.0000000000000000 ]  - [  -0.0082089600000000, -0.0157185700000000,  0.0000000000000000 ]  - [  -0.0017115700000000, -0.0039303700000000,  0.0000000000000000 ]  - [   0.0003365400000000, -0.0024591100000000,  0.0000000000000000 ]  - [  -0.0007853500000000,  0.0032166100000000,  0.0000000000000000 ]  - [   0.0017879000000000,  0.0020689300000000,  0.0000000000000000 ]  - [   0.0025254500000000, -0.0006153100000000, -0.0010163900000000 ]  - [  -0.0048541800000000, -0.0028400700000000, -0.0047453900000000 ]  - [  -0.0005710500000000,  0.0011035300000000,  0.0003147000000000 ]  - [   0.0011830200000000,  0.0033773600000000,  0.0015107000000000 ]  - [   0.0005250700000000,  0.0041610300000000, -0.0007552500000000 ]  - [  -0.0001054800000000,  0.0009620300000000,  0.0000214500000000 ]  - [  -0.0009629800000000, -0.0082761300000000, -0.0008535700000000 ]  - [   0.0018097100000000, -0.0009108500000000, -0.0004144800000000 ]  - [   0.0005250700000000,  0.0041610300000000,  0.0007552500000000 ]  - [  -0.0001054800000000,  0.0009620300000000, -0.0000214500000000 ]  - [  -0.0009629800000000, -0.0082761300000000,  0.0008535700000000 ]  - [   0.0018097100000000, -0.0009108500000000,  0.0004144800000000 ]  - [   0.0025254500000000, -0.0006153100000000,  0.0010163900000000 ]  - [  -0.0048541800000000, -0.0028400700000000,  0.0047453900000000 ]  - [  -0.0005710500000000,  0.0011035300000000, -0.0003147000000000 ]  - [   0.0011830200000000,  0.0033773600000000, -0.0015107000000000 ]  - [  -0.0467068300000000, -0.0803083700000000,  0.0000000000000000 ]  - [   0.0016754700000000, -0.0023729600000000,  0.0000000000000000 ]  - [  -0.0080794900000000,  0.0102275800000000,  0.0000000000000000 ]  - [   0.0013023400000000,  0.0023052200000000,  0.0000000000000000 ]  - [   0.0015219900000000,  0.0035951200000000,  0.0000000000000000 ]  - [  -0.0015081800000000,  0.0034657900000000,  0.0000000000000000 ]  - [  -0.0003098300000000, -0.0022686900000000,  0.0000000000000000 ]  - [  -0.0012721800000000, -0.0049344400000000,  0.0000000000000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0003290400000000, -0.0004546200000000, -0.0541326200000000 ]  - [  -0.0000069400000000, -0.0000036200000000, -0.0003032200000000 ]  - [   0.0000066400000000,  0.0000128500000000, -0.0003942700000000 ]  - [  -0.0000050800000000, -0.0000009500000000, -0.0000189200000000 ]  - [  -0.0000140200000000,  0.0000054300000000,  0.0037496200000000 ]  - [   0.0000045300000000, -0.0000006800000000,  0.0017124900000000 ]  - [  -0.0000023400000000,  0.0000079400000000,  0.0003113400000000 ]  - [  -0.0000040100000000,  0.0000082400000000,  0.0000537300000000 ]  - [   0.0000019700000000,  0.0000153000000000, -0.0038111600000000 ]  - [  -0.0000355300000000,  0.0000021800000000, -0.0027601600000000 ]  - [   0.0000021600000000, -0.0000051700000000, -0.0002368400000000 ]  - [  -0.0000024000000000,  0.0000019700000000, -0.0001673600000000 ]  - [   0.0000147900000000,  0.0000040100000000,  0.0044103900000000 ]  - [  -0.0000027200000000, -0.0000021200000000,  0.0003997500000000 ]  - [   0.0000077500000000,  0.0000055800000000,  0.0003249000000000 ]  - [   0.0000070500000000,  0.0000033300000000,  0.0000492300000000 ]  - [  -0.0080370800000000, -0.0101928900000000,  0.0082426000000000 ]  - [   0.0002557700000000,  0.0000105400000000, -0.0002010400000000 ]  - [   0.0000065700000000,  0.0010146300000000, -0.0002369000000000 ]  - [   0.0000242400000000,  0.0000486200000000,  0.0000214400000000 ]  - [  -0.0000695900000000, -0.0000314900000000,  0.0001027800000000 ]  - [   0.0000244400000000, -0.0002872000000000, -0.0000311100000000 ]  - [  -0.0010495600000000, -0.0000146700000000,  0.0001471300000000 ]  - [   0.0075165200000000,  0.0059712100000000,  0.0096626000000000 ]  - [  -0.0000129600000000, -0.0000059600000000,  0.0022730300000000 ]  - [   0.0000033700000000, -0.0000024000000000,  0.0017358100000000 ]  - [  -0.0000120600000000,  0.0000029700000000,  0.0017362400000000 ]  - [  -0.0000045600000000, -0.0000001400000000,  0.0022733000000000 ]  - [  -0.0000045200000000,  0.0000473400000000, -0.0038113000000000 ]  - [  -0.0000032300000000,  0.0000070700000000, -0.0002368800000000 ]  - [  -0.0000177400000000,  0.0000117100000000, -0.0027603900000000 ]  - [   0.0000001200000000,  0.0000004700000000, -0.0001672800000000 ]  - [   0.0000074300000000, -0.0000133600000000,  0.0017125900000000 ]  - [  -0.0000021400000000,  0.0000018100000000,  0.0000532100000000 ]  - [   0.0000098000000000,  0.0000011800000000,  0.0037501200000000 ]  - [   0.0000019500000000, -0.0000069300000000,  0.0003116600000000 ]  - [   0.0000176600000000,  0.0000165000000000, -0.0016424900000000 ]  - [  -0.0000044000000000,  0.0000017000000000, -0.0003439300000000 ]  - [   0.0000066200000000, -0.0000109600000000, -0.0024141500000000 ]  - [   0.0000104500000000,  0.0000037300000000, -0.0008851900000000 ]  - [   0.0000695700000000,  0.0000327300000000,  0.0000958400000000 ]  - [  -0.0000269400000000,  0.0002886300000000, -0.0000145400000000 ]  - [   0.0010372200000000,  0.0000117000000000,  0.0001560900000000 ]  - [  -0.0074287200000000, -0.0059028800000000,  0.0096077400000000 ]  - [   0.0079387400000000,  0.0100668500000000,  0.0081863000000000 ]  - [  -0.0002562000000000, -0.0000057500000000, -0.0001908600000000 ]  - [  -0.0000037300000000, -0.0010030100000000, -0.0002194900000000 ]  - [  -0.0000243000000000, -0.0000491900000000,  0.0000378200000000 ]  - [  -0.0000010700000000, -0.0000034400000000,  0.0000695600000000 ]  - [   0.0000128200000000, -0.0000167900000000,  0.0002043100000000 ]  - [  -0.0000033800000000,  0.0000084000000000,  0.0010628500000000 ]  - [  -0.0000921800000000, -0.0000329600000000,  0.0082286100000000 ]  - [   0.0000027000000000,  0.0000105600000000, -0.0107193900000000 ]  - [  -0.0000017000000000,  0.0000015100000000, -0.0003635000000000 ]  - [  -0.0000018500000000, -0.0000103100000000, -0.0012303700000000 ]  - [   0.0000006600000000, -0.0000011500000000, -0.0000087200000000 ]  - [   0.0015877700000000,  0.0001635800000000,  0.0000010600000000 ]  - [  -0.0050695900000000,  0.0046006700000000, -0.0030694000000000 ]  - [   0.0002387000000000, -0.0002269600000000,  0.0000194300000000 ]  - [  -0.0002070700000000, -0.0010886900000000,  0.0000072300000000 ]  - [  -0.0000280200000000,  0.0014242200000000,  0.0000982400000000 ]  - [  -0.0000525300000000,  0.0000588400000000, -0.0000148000000000 ]  - [  -0.0020674300000000,  0.0011538700000000,  0.0071932200000000 ]  - [  -0.0009275500000000, -0.0000224400000000,  0.0000938500000000 ]  - [   0.0000246800000000, -0.0014302600000000,  0.0000906200000000 ]  - [   0.0000523000000000, -0.0000613800000000, -0.0000155400000000 ]  - [   0.0017634000000000, -0.0008544300000000,  0.0067170900000000 ]  - [   0.0009315800000000,  0.0000281300000000,  0.0000868200000000 ]  - [  -0.0015859100000000, -0.0001609800000000, -0.0000068500000000 ]  - [   0.0050884000000000, -0.0046165900000000, -0.0031359700000000 ]  - [  -0.0002342100000000,  0.0002222700000000,  0.0000148300000000 ]  - [   0.0002023200000000,  0.0010863000000000,  0.0000044600000000 ]  - [   0.0000784000000000,  0.0001641400000000,  0.0208646300000000 ]  - [   0.0000121400000000, -0.0000095300000000,  0.0005965700000000 ]  - [   0.0000007300000000,  0.0000017500000000,  0.0019505300000000 ]  - [   0.0000013300000000, -0.0000006100000000,  0.0001559000000000 ]  - [   0.0000019700000000, -0.0000022100000000, -0.0001077400000000 ]  - [  -0.0000009600000000,  0.0000020700000000, -0.0006223100000000 ]  - [   0.0000165100000000,  0.0000038400000000, -0.0020361800000000 ]  - [  -0.0000165700000000, -0.0000036700000000, -0.0122666700000000 ]- atom:   17  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0010056400000000,  0.0049980800000000, -0.0080005300000000 ]  - [   0.0022933100000000,  0.0001874400000000,  0.0002516900000000 ]  - [  -0.0014070800000000, -0.0010768200000000,  0.0000066200000000 ]  - [   0.0009886900000000,  0.0005698400000000,  0.0000234400000000 ]  - [   0.0001213800000000, -0.0046064300000000, -0.0059309900000000 ]  - [   0.0020006000000000,  0.0000271400000000,  0.0002919100000000 ]  - [  -0.0012972600000000,  0.0011051700000000,  0.0000109100000000 ]  - [   0.0011363900000000, -0.0007195900000000,  0.0000324000000000 ]  - [   0.0029979700000000, -0.0052352000000000,  0.0100953400000000 ]  - [   0.0024193100000000,  0.0002872400000000, -0.0010194100000000 ]  - [  -0.0008080500000000,  0.0009795800000000, -0.0000084600000000 ]  - [   0.0007824800000000, -0.0004551900000000, -0.0000496200000000 ]  - [   0.0032225600000000,  0.0049423900000000,  0.0074930200000000 ]  - [   0.0019521700000000, -0.0005116000000000, -0.0010346800000000 ]  - [  -0.0007851500000000, -0.0009223700000000,  0.0000250600000000 ]  - [   0.0008123500000000,  0.0005884700000000, -0.0000692700000000 ]  - [  -0.0434583900000000,  0.0000003900000000, -0.0000358700000000 ]  - [   0.0053473600000000, -0.0000001100000000,  0.0000023000000000 ]  - [  -0.0007343100000000,  0.0000000100000000,  0.0000011600000000 ]  - [   0.0006606200000000, -0.0000006200000000, -0.0000002100000000 ]  - [   0.0006839300000000,  0.0018124700000000, -0.0001226200000000 ]  - [   0.0006431100000000, -0.0018235300000000,  0.0003876300000000 ]  - [   0.0006539200000000, -0.0018124300000000, -0.0003864800000000 ]  - [   0.0006727800000000,  0.0018239700000000,  0.0001271400000000 ]  - [   0.0032150600000000,  0.0049126900000000, -0.0074520300000000 ]  - [   0.0019604700000000, -0.0005204500000000,  0.0010527200000000 ]  - [  -0.0007789200000000, -0.0009226400000000, -0.0000266000000000 ]  - [   0.0008076400000000,  0.0005879000000000,  0.0000703000000000 ]  - [   0.0030195700000000, -0.0052849200000000, -0.0101641600000000 ]  - [   0.0024140600000000,  0.0002820200000000,  0.0009985100000000 ]  - [  -0.0008176700000000,  0.0009836600000000,  0.0000083800000000 ]  - [   0.0007839000000000, -0.0004504400000000,  0.0000482800000000 ]  - [   0.0001133100000000, -0.0046358700000000,  0.0059434300000000 ]  - [   0.0019994100000000,  0.0000295300000000, -0.0002845900000000 ]  - [  -0.0013041400000000,  0.0011043300000000, -0.0000153900000000 ]  - [   0.0011411300000000, -0.0007191900000000, -0.0000320500000000 ]  - [  -0.0009897400000000,  0.0049578700000000,  0.0079745000000000 ]  - [   0.0022897800000000,  0.0001834800000000, -0.0002605700000000 ]  - [  -0.0013989500000000, -0.0010761800000000, -0.0000027000000000 ]  - [   0.0009927700000000,  0.0005762400000000, -0.0000250800000000 ]  - [   0.0007667400000000,  0.0011542900000000, -0.0001836200000000 ]  - [   0.0007091100000000, -0.0011549200000000, -0.0005598700000000 ]  - [   0.0007157300000000, -0.0011545900000000,  0.0005574600000000 ]  - [   0.0007591000000000,  0.0011547400000000,  0.0001827700000000 ]  - [  -0.0029000700000000,  0.0000003400000000,  0.0000200200000000 ]  - [   0.0014851600000000, -0.0000228000000000, -0.0000059200000000 ]  - [  -0.0007213000000000,  0.0000227900000000, -0.0000008600000000 ]  - [   0.0006299000000000, -0.0000004900000000, -0.0000004800000000 ]  - [  -0.0021330600000000, -0.0022891400000000, -0.0002189300000000 ]  - [  -0.0021864600000000,  0.0036980500000000,  0.0000844600000000 ]  - [  -0.0022045600000000,  0.0037000500000000, -0.0000786200000000 ]  - [  -0.0021077600000000, -0.0022902200000000,  0.0002264400000000 ]  - [   0.0098234100000000, -0.0001469000000000, -0.0000755500000000 ]  - [  -0.0036579100000000,  0.0000431300000000, -0.0000106500000000 ]  - [   0.0019877300000000, -0.0003531600000000,  0.0000027700000000 ]  - [  -0.0016398600000000,  0.0003015200000000, -0.0000006300000000 ]  - [  -0.0045361400000000, -0.0001272500000000,  0.0007394400000000 ]  - [  -0.0040572800000000, -0.0001292000000000, -0.0007461500000000 ]  - [  -0.0000628500000000, -0.0000060200000000, -0.0000882800000000 ]  - [  -0.0000570300000000, -0.0000056600000000,  0.0000878100000000 ]  - [   0.0059253200000000, -0.0000537800000000,  0.0003412000000000 ]  - [  -0.0018619900000000, -0.0000096700000000, -0.0000179600000000 ]  - [   0.0059236000000000, -0.0000100200000000, -0.0003337700000000 ]  - [  -0.0018623800000000, -0.0000221100000000,  0.0000178700000000 ]  - [   0.0029762400000000,  0.0000040300000000, -0.0003740200000000 ]  - [  -0.0015859500000000, -0.0000122700000000, -0.0000178700000000 ]  - [   0.0029745100000000,  0.0000109400000000,  0.0003688900000000 ]  - [  -0.0015857200000000, -0.0000178400000000,  0.0000163200000000 ]  - [  -0.0011552200000000, -0.0001346400000000, -0.0004086000000000 ]  - [  -0.0011395700000000, -0.0001352200000000,  0.0004062300000000 ]  - [  -0.0000665800000000, -0.0000071600000000,  0.0000813400000000 ]  - [  -0.0000631700000000, -0.0000067700000000, -0.0000831900000000 ]  - [   0.0224777100000000,  0.0003543600000000,  0.0001604400000000 ]  - [  -0.0052984100000000,  0.0000049500000000,  0.0000170300000000 ]  - [   0.0026084500000000,  0.0001595900000000, -0.0000054400000000 ]  - [  -0.0018759700000000, -0.0002460400000000,  0.0000005700000000 ]  - [  -0.0021671200000000, -0.0041231100000000,  0.0004378500000000 ]  - [  -0.0020025900000000,  0.0029074500000000, -0.0005497700000000 ]  - [  -0.0020299300000000,  0.0029012800000000,  0.0005381300000000 ]  - [  -0.0021445300000000, -0.0041248400000000, -0.0004502500000000 ]- atom:   17  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0108932400000000, -0.0128222300000000,  0.0081981100000000 ]  - [   0.0019712400000000,  0.0000160300000000, -0.0001930900000000 ]  - [   0.0005002500000000,  0.0014975000000000, -0.0002228700000000 ]  - [  -0.0000938200000000, -0.0000435100000000,  0.0000300100000000 ]  - [  -0.0137141600000000,  0.0159756700000000,  0.0096592200000000 ]  - [   0.0018982800000000,  0.0002361700000000, -0.0000258700000000 ]  - [   0.0004737900000000, -0.0016308400000000,  0.0001468600000000 ]  - [  -0.0000262100000000, -0.0000165000000000,  0.0000986600000000 ]  - [   0.0128222300000000, -0.0108932400000000,  0.0081981100000000 ]  - [  -0.0014975000000000,  0.0005002500000000, -0.0002228700000000 ]  - [  -0.0000160300000000,  0.0019712400000000, -0.0001930900000000 ]  - [   0.0000435100000000, -0.0000938200000000,  0.0000300100000000 ]  - [   0.0159756700000000,  0.0137141600000000,  0.0096592200000000 ]  - [  -0.0016308400000000, -0.0004737900000000,  0.0001468600000000 ]  - [   0.0002361700000000, -0.0018982800000000, -0.0000258700000000 ]  - [  -0.0000165000000000,  0.0000262100000000,  0.0000986600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.2209549400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0020299400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0020299400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000212900000000 ]  - [  -0.0001182200000000, -0.0003806700000000, -0.0037262900000000 ]  - [   0.0003806700000000, -0.0001182200000000, -0.0037262900000000 ]  - [  -0.0003806700000000,  0.0001182200000000, -0.0037262900000000 ]  - [   0.0001182200000000,  0.0003806700000000, -0.0037262900000000 ]  - [  -0.0159756700000000, -0.0137141600000000,  0.0096592200000000 ]  - [   0.0016308400000000,  0.0004737900000000,  0.0001468600000000 ]  - [  -0.0002361700000000,  0.0018982800000000, -0.0000258700000000 ]  - [   0.0000165000000000, -0.0000262100000000,  0.0000986600000000 ]  - [  -0.0128222300000000,  0.0108932400000000,  0.0081981100000000 ]  - [   0.0014975000000000, -0.0005002500000000, -0.0002228700000000 ]  - [   0.0000160300000000, -0.0019712400000000, -0.0001930900000000 ]  - [  -0.0000435100000000,  0.0000938200000000,  0.0000300100000000 ]  - [   0.0137141600000000, -0.0159756700000000,  0.0096592200000000 ]  - [  -0.0018982800000000, -0.0002361700000000, -0.0000258700000000 ]  - [  -0.0004737900000000,  0.0016308400000000,  0.0001468600000000 ]  - [   0.0000262100000000,  0.0000165000000000,  0.0000986600000000 ]  - [   0.0108932400000000,  0.0128222300000000,  0.0081981100000000 ]  - [  -0.0019712400000000, -0.0000160300000000, -0.0001930900000000 ]  - [  -0.0005002500000000, -0.0014975000000000, -0.0002228700000000 ]  - [   0.0000938200000000,  0.0000435100000000,  0.0000300100000000 ]  - [   0.0001846400000000, -0.0005584900000000,  0.0060640200000000 ]  - [   0.0005584900000000,  0.0001846400000000,  0.0060640200000000 ]  - [  -0.0005584900000000, -0.0001846400000000,  0.0060640200000000 ]  - [  -0.0001846400000000,  0.0005584900000000,  0.0060640200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0120297700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0019093700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0019093700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000931400000000 ]  - [  -0.0071859700000000, -0.0047314400000000,  0.0007776200000000 ]  - [   0.0047314400000000, -0.0071859700000000,  0.0007776200000000 ]  - [  -0.0047314400000000,  0.0071859700000000,  0.0007776200000000 ]  - [   0.0071859700000000,  0.0047314400000000,  0.0007776200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0148148800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002134400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002134400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000028600000000 ]  - [   0.0016475400000000, -0.0005654100000000,  0.0081329700000000 ]  - [  -0.0016475400000000,  0.0005654100000000,  0.0081329700000000 ]  - [  -0.0000171800000000, -0.0000871400000000,  0.0008370100000000 ]  - [   0.0000171800000000,  0.0000871400000000,  0.0008370100000000 ]  - [   0.0005654100000000,  0.0016475400000000,  0.0081329700000000 ]  - [   0.0000871400000000, -0.0000171800000000,  0.0008370100000000 ]  - [  -0.0005654100000000, -0.0016475400000000,  0.0081329700000000 ]  - [  -0.0000871400000000,  0.0000171800000000,  0.0008370100000000 ]  - [   0.0009017400000000, -0.0006519000000000, -0.0060249100000000 ]  - [   0.0000854500000000, -0.0000840300000000, -0.0008027200000000 ]  - [  -0.0009017400000000,  0.0006519000000000, -0.0060249100000000 ]  - [  -0.0000854500000000,  0.0000840300000000, -0.0008027200000000 ]  - [  -0.0006519000000000, -0.0009017400000000, -0.0060249100000000 ]  - [   0.0006519000000000,  0.0009017400000000, -0.0060249100000000 ]  - [  -0.0000840300000000, -0.0000854500000000, -0.0008027200000000 ]  - [   0.0000840300000000,  0.0000854500000000, -0.0008027200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.1000932700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003022600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003022600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000470100000000 ]  - [   0.0053162400000000,  0.0081804400000000,  0.0005409700000000 ]  - [  -0.0081804400000000,  0.0053162400000000,  0.0005409700000000 ]  - [   0.0081804400000000, -0.0053162400000000,  0.0005409700000000 ]  - [  -0.0053162400000000, -0.0081804400000000,  0.0005409700000000 ]- atom:   17  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0110473700000000,  0.0130098600000000, -0.0082332000000000 ]  - [  -0.0019881600000000, -0.0000273700000000,  0.0001971900000000 ]  - [  -0.0005141200000000, -0.0015014600000000,  0.0002321500000000 ]  - [   0.0000898100000000,  0.0000431900000000, -0.0000301200000000 ]  - [   0.0135501300000000, -0.0157754100000000, -0.0096113900000000 ]  - [  -0.0018806400000000, -0.0002457800000000,  0.0000183900000000 ]  - [  -0.0004628500000000,  0.0016242800000000, -0.0001582200000000 ]  - [   0.0000214000000000,  0.0000259600000000, -0.0001020100000000 ]  - [  -0.0130098600000000,  0.0110473700000000, -0.0082332000000000 ]  - [   0.0015014600000000, -0.0005141200000000,  0.0002321500000000 ]  - [   0.0000273700000000, -0.0019881600000000,  0.0001971900000000 ]  - [  -0.0000431900000000,  0.0000898100000000, -0.0000301200000000 ]  - [  -0.0157754100000000, -0.0135501300000000, -0.0096113900000000 ]  - [   0.0016242800000000,  0.0004628500000000, -0.0001582200000000 ]  - [  -0.0002457800000000,  0.0018806400000000,  0.0000183900000000 ]  - [   0.0000259600000000, -0.0000214000000000, -0.0001020100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.2264550400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0020331000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0020331000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000171000000000 ]  - [   0.0001264100000000,  0.0003883000000000,  0.0037231900000000 ]  - [  -0.0003883000000000,  0.0001264100000000,  0.0037231900000000 ]  - [   0.0003883000000000, -0.0001264100000000,  0.0037231900000000 ]  - [  -0.0001264100000000, -0.0003883000000000,  0.0037231900000000 ]  - [   0.0157754100000000,  0.0135501300000000, -0.0096113900000000 ]  - [  -0.0016242800000000, -0.0004628500000000, -0.0001582200000000 ]  - [   0.0002457800000000, -0.0018806400000000,  0.0000183900000000 ]  - [  -0.0000259600000000,  0.0000214000000000, -0.0001020100000000 ]  - [   0.0130098600000000, -0.0110473700000000, -0.0082332000000000 ]  - [  -0.0015014600000000,  0.0005141200000000,  0.0002321500000000 ]  - [  -0.0000273700000000,  0.0019881600000000,  0.0001971900000000 ]  - [   0.0000431900000000, -0.0000898100000000, -0.0000301200000000 ]  - [  -0.0135501300000000,  0.0157754100000000, -0.0096113900000000 ]  - [   0.0018806400000000,  0.0002457800000000,  0.0000183900000000 ]  - [   0.0004628500000000, -0.0016242800000000, -0.0001582200000000 ]  - [  -0.0000214000000000, -0.0000259600000000, -0.0001020100000000 ]  - [  -0.0110473700000000, -0.0130098600000000, -0.0082332000000000 ]  - [   0.0019881600000000,  0.0000273700000000,  0.0001971900000000 ]  - [   0.0005141200000000,  0.0015014600000000,  0.0002321500000000 ]  - [  -0.0000898100000000, -0.0000431900000000, -0.0000301200000000 ]  - [  -0.0001865600000000,  0.0005539100000000, -0.0060551800000000 ]  - [  -0.0005539100000000, -0.0001865600000000, -0.0060551800000000 ]  - [   0.0005539100000000,  0.0001865600000000, -0.0060551800000000 ]  - [   0.0001865600000000, -0.0005539100000000, -0.0060551800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0120435000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0019102300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0019102300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000903100000000 ]  - [   0.0071991700000000,  0.0047314100000000, -0.0007897100000000 ]  - [  -0.0047314100000000,  0.0071991700000000, -0.0007897100000000 ]  - [   0.0047314100000000, -0.0071991700000000, -0.0007897100000000 ]  - [  -0.0071991700000000, -0.0047314100000000, -0.0007897100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0113688300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002224300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002224300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000049500000000 ]  - [  -0.0016989500000000,  0.0005649200000000, -0.0081198600000000 ]  - [   0.0016989500000000, -0.0005649200000000, -0.0081198600000000 ]  - [   0.0000150800000000,  0.0000868400000000, -0.0008368700000000 ]  - [  -0.0000150800000000, -0.0000868400000000, -0.0008368700000000 ]  - [  -0.0005649200000000, -0.0016989500000000, -0.0081198600000000 ]  - [  -0.0000868400000000,  0.0000150800000000, -0.0008368700000000 ]  - [   0.0005649200000000,  0.0016989500000000, -0.0081198600000000 ]  - [   0.0000868400000000, -0.0000150800000000, -0.0008368700000000 ]  - [  -0.0009013200000000,  0.0006589000000000,  0.0060195300000000 ]  - [  -0.0000849900000000,  0.0000863300000000,  0.0007998300000000 ]  - [   0.0009013200000000, -0.0006589000000000,  0.0060195300000000 ]  - [   0.0000849900000000, -0.0000863300000000,  0.0007998300000000 ]  - [   0.0006589000000000,  0.0009013200000000,  0.0060195300000000 ]  - [  -0.0006589000000000, -0.0009013200000000,  0.0060195300000000 ]  - [   0.0000863300000000,  0.0000849900000000,  0.0007998300000000 ]  - [  -0.0000863300000000, -0.0000849900000000,  0.0007998300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.1090842500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003209700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003209700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000467600000000 ]  - [  -0.0053192500000000, -0.0081676700000000, -0.0005242700000000 ]  - [   0.0081676700000000, -0.0053192500000000, -0.0005242700000000 ]  - [  -0.0081676700000000,  0.0053192500000000, -0.0005242700000000 ]  - [   0.0053192500000000,  0.0081676700000000, -0.0005242700000000 ]- atom:   49  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0019801300000000, -0.0014658200000000,  0.0000000000000000 ]  - [   0.0015605400000000,  0.0055049900000000,  0.0000000000000000 ]  - [  -0.0074730200000000,  0.0002491000000000,  0.0000000000000000 ]  - [   0.0251269600000000,  0.0080268700000000,  0.0000000000000000 ]  - [   0.0024520800000000, -0.0011156300000000,  0.0000000000000000 ]  - [  -0.0020611100000000,  0.0009293700000000,  0.0000000000000000 ]  - [   0.0039494300000000, -0.0014912300000000,  0.0000000000000000 ]  - [  -0.0032102400000000,  0.0004632700000000,  0.0000000000000000 ]  - [   0.0063176900000000, -0.0073511300000000,  0.0000000000000000 ]  - [  -0.0025699100000000,  0.0011605900000000,  0.0000000000000000 ]  - [   0.0163683300000000, -0.0131141200000000,  0.0000000000000000 ]  - [  -0.0092269600000000,  0.0010858000000000,  0.0000000000000000 ]  - [  -0.0027094300000000, -0.0017858400000000,  0.0000000000000000 ]  - [   0.0017554600000000,  0.0007863600000000,  0.0000000000000000 ]  - [  -0.0026948600000000, -0.0003327800000000,  0.0000000000000000 ]  - [   0.0035401700000000,  0.0016909800000000,  0.0000000000000000 ]  - [  -0.0021234500000000, -0.0037069700000000, -0.0071963400000000 ]  - [  -0.0021985500000000,  0.0022854400000000,  0.0047386500000000 ]  - [  -0.0021906600000000,  0.0022936500000000, -0.0047232400000000 ]  - [  -0.0021153800000000, -0.0036913500000000,  0.0071866400000000 ]  - [   0.0098223600000000,  0.0001473400000000, -0.0001142100000000 ]  - [  -0.0036545600000000,  0.0003528000000000, -0.0000030700000000 ]  - [   0.0019869000000000, -0.0000425100000000, -0.0000039400000000 ]  - [  -0.0016370500000000, -0.0003017400000000,  0.0000026600000000 ]  - [   0.0035715100000000,  0.0017227800000000,  0.0000000000000000 ]  - [  -0.0026990600000000, -0.0003431800000000,  0.0000000000000000 ]  - [   0.0017602200000000,  0.0007828000000000,  0.0000000000000000 ]  - [  -0.0027205400000000, -0.0017878600000000,  0.0000000000000000 ]  - [  -0.0091971800000000,  0.0010601000000000,  0.0000000000000000 ]  - [   0.0157487000000000, -0.0120443600000000,  0.0000000000000000 ]  - [  -0.0025797300000000,  0.0011795800000000,  0.0000000000000000 ]  - [   0.0063173200000000, -0.0073221400000000,  0.0000000000000000 ]  - [  -0.0032029800000000,  0.0004396300000000,  0.0000000000000000 ]  - [   0.0038966600000000, -0.0014595800000000,  0.0000000000000000 ]  - [  -0.0020600000000000,  0.0009331400000000,  0.0000000000000000 ]  - [   0.0024609400000000, -0.0011332100000000,  0.0000000000000000 ]  - [   0.0270819400000000,  0.0096919300000000,  0.0000000000000000 ]  - [  -0.0074554600000000,  0.0002199200000000,  0.0000000000000000 ]  - [   0.0015468000000000,  0.0054804100000000,  0.0000000000000000 ]  - [  -0.0019682200000000, -0.0014549800000000,  0.0000000000000000 ]  - [   0.0098223600000000,  0.0001473400000000,  0.0001142100000000 ]  - [  -0.0036545600000000,  0.0003528000000000,  0.0000030700000000 ]  - [   0.0019869000000000, -0.0000425100000000,  0.0000039400000000 ]  - [  -0.0016370500000000, -0.0003017400000000, -0.0000026600000000 ]  - [  -0.0021234500000000, -0.0037069700000000,  0.0071963400000000 ]  - [  -0.0021985500000000,  0.0022854400000000, -0.0047386500000000 ]  - [  -0.0021906600000000,  0.0022936500000000,  0.0047232400000000 ]  - [  -0.0021153800000000, -0.0036913500000000, -0.0071866400000000 ]  - [  -0.1500748200000000, -0.0000172500000000,  0.0000000000000000 ]  - [   0.0103664800000000, -0.0021560300000000,  0.0000000000000000 ]  - [  -0.0093158300000000,  0.0021559000000000,  0.0000000000000000 ]  - [   0.0040837600000000, -0.0000001900000000,  0.0000000000000000 ]  - [  -0.0010899600000000,  0.0003716300000000,  0.0000000000000000 ]  - [  -0.0002095500000000, -0.0003753700000000,  0.0000000000000000 ]  - [  -0.0002238100000000, -0.0003679300000000,  0.0000000000000000 ]  - [  -0.0010660000000000,  0.0003716200000000,  0.0000000000000000 ]  - [  -0.0089225700000000,  0.0001397800000000, -0.0003809800000000 ]  - [   0.0039941600000000,  0.0001646300000000,  0.0002376300000000 ]  - [  -0.0089082400000000,  0.0001753000000000,  0.0003782300000000 ]  - [   0.0039902100000000,  0.0001636500000000, -0.0002359000000000 ]  - [   0.0103227400000000, -0.0012200100000000,  0.0134223500000000 ]  - [   0.0102195800000000, -0.0012163200000000, -0.0132691000000000 ]  - [   0.0003616500000000,  0.0003490000000000,  0.0009780500000000 ]  - [   0.0003683500000000,  0.0003431000000000, -0.0009756400000000 ]  - [   0.0103227400000000, -0.0012200100000000, -0.0134223500000000 ]  - [   0.0102195800000000, -0.0012163200000000,  0.0132691000000000 ]  - [   0.0003616500000000,  0.0003490000000000, -0.0009780500000000 ]  - [   0.0003683500000000,  0.0003431000000000,  0.0009756400000000 ]  - [  -0.0089225700000000,  0.0001397800000000,  0.0003809800000000 ]  - [   0.0039941600000000,  0.0001646300000000, -0.0002376300000000 ]  - [  -0.0089082400000000,  0.0001753000000000, -0.0003782300000000 ]  - [   0.0039902100000000,  0.0001636500000000,  0.0002359000000000 ]  - [   0.0152057800000000,  0.0219279400000000,  0.0000000000000000 ]  - [   0.0168145000000000, -0.0128075300000000,  0.0000000000000000 ]  - [   0.0168089500000000, -0.0128844900000000,  0.0000000000000000 ]  - [   0.0150938800000000,  0.0218308800000000,  0.0000000000000000 ]  - [  -0.0027299100000000,  0.0000297500000000,  0.0000000000000000 ]  - [   0.0071059600000000, -0.0007547200000000,  0.0000000000000000 ]  - [  -0.0037252700000000, -0.0004868400000000,  0.0000000000000000 ]  - [   0.0046789500000000,  0.0014852900000000,  0.0000000000000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0000192500000000, -0.0000103000000000,  0.0000749700000000 ]  - [  -0.0000075000000000,  0.0000105700000000,  0.0002101200000000 ]  - [  -0.0000003500000000,  0.0000041000000000,  0.0010687500000000 ]  - [   0.0001078200000000,  0.0000696700000000,  0.0082333800000000 ]  - [  -0.0000038100000000,  0.0000058600000000, -0.0003576400000000 ]  - [  -0.0000011200000000,  0.0000080500000000, -0.0000035900000000 ]  - [  -0.0000053600000000,  0.0000072200000000, -0.0107141300000000 ]  - [   0.0000044700000000,  0.0000092800000000, -0.0012243300000000 ]  - [  -0.0000041000000000, -0.0000003500000000,  0.0010687500000000 ]  - [   0.0000103000000000, -0.0000192500000000,  0.0000749700000000 ]  - [  -0.0000696700000000,  0.0001078200000000,  0.0082333800000000 ]  - [  -0.0000105700000000, -0.0000075000000000,  0.0002101200000000 ]  - [   0.0000080500000000,  0.0000011200000000, -0.0000035900000000 ]  - [   0.0000092800000000, -0.0000044700000000, -0.0012243300000000 ]  - [   0.0000058600000000,  0.0000038100000000, -0.0003576400000000 ]  - [   0.0000072200000000,  0.0000053600000000, -0.0107141300000000 ]  - [  -0.0002249100000000, -0.0000825400000000,  0.0008012700000000 ]  - [   0.0000825400000000, -0.0002249100000000,  0.0008012700000000 ]  - [  -0.0000825400000000,  0.0002249100000000,  0.0008012700000000 ]  - [   0.0002249100000000,  0.0000825400000000,  0.0008012700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0147881100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002008000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002008000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000287900000000 ]  - [  -0.0000072200000000, -0.0000053600000000, -0.0107141300000000 ]  - [  -0.0000058600000000, -0.0000038100000000, -0.0003576400000000 ]  - [  -0.0000092800000000,  0.0000044700000000, -0.0012243300000000 ]  - [  -0.0000080500000000, -0.0000011200000000, -0.0000035900000000 ]  - [   0.0000105700000000,  0.0000075000000000,  0.0002101200000000 ]  - [   0.0000696700000000, -0.0001078200000000,  0.0082333800000000 ]  - [  -0.0000103000000000,  0.0000192500000000,  0.0000749700000000 ]  - [   0.0000041000000000,  0.0000003500000000,  0.0010687500000000 ]  - [  -0.0000044700000000, -0.0000092800000000, -0.0012243300000000 ]  - [   0.0000053600000000, -0.0000072200000000, -0.0107141300000000 ]  - [   0.0000011200000000, -0.0000080500000000, -0.0000035900000000 ]  - [   0.0000038100000000, -0.0000058600000000, -0.0003576400000000 ]  - [  -0.0001078200000000, -0.0000696700000000,  0.0082333800000000 ]  - [   0.0000003500000000, -0.0000041000000000,  0.0010687500000000 ]  - [   0.0000075000000000, -0.0000105700000000,  0.0002101200000000 ]  - [   0.0000192500000000,  0.0000103000000000,  0.0000749700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0114147200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002245700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002245700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000103700000000 ]  - [   0.0002196900000000,  0.0000804500000000,  0.0007760200000000 ]  - [  -0.0000804500000000,  0.0002196900000000,  0.0007760200000000 ]  - [   0.0000804500000000, -0.0002196900000000,  0.0007760200000000 ]  - [  -0.0002196900000000, -0.0000804500000000,  0.0007760200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.1162552400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0010970100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0010970100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001078600000000 ]  - [   0.0000131400000000,  0.0000135100000000, -0.0000766800000000 ]  - [  -0.0000135100000000,  0.0000131400000000, -0.0000766800000000 ]  - [   0.0000135100000000, -0.0000131400000000, -0.0000766800000000 ]  - [  -0.0000131400000000, -0.0000135100000000, -0.0000766800000000 ]  - [  -0.0000460200000000,  0.0121745000000000,  0.0030639500000000 ]  - [  -0.0000015300000000,  0.0001647800000000,  0.0000186700000000 ]  - [   0.0000460200000000, -0.0121745000000000,  0.0030639500000000 ]  - [   0.0000015300000000, -0.0001647800000000,  0.0000186700000000 ]  - [   0.0121745000000000,  0.0000460200000000,  0.0030639500000000 ]  - [  -0.0121745000000000, -0.0000460200000000,  0.0030639500000000 ]  - [   0.0001647800000000,  0.0000015300000000,  0.0000186700000000 ]  - [  -0.0001647800000000, -0.0000015300000000,  0.0000186700000000 ]  - [  -0.0120539500000000, -0.0000458600000000,  0.0030912100000000 ]  - [   0.0120539500000000,  0.0000458600000000,  0.0030912100000000 ]  - [  -0.0001693300000000, -0.0000031500000000,  0.0000191600000000 ]  - [   0.0001693300000000,  0.0000031500000000,  0.0000191600000000 ]  - [   0.0000458600000000, -0.0120539500000000,  0.0030912100000000 ]  - [   0.0000031500000000, -0.0001693300000000,  0.0000191600000000 ]  - [  -0.0000458600000000,  0.0120539500000000,  0.0030912100000000 ]  - [  -0.0000031500000000,  0.0001693300000000,  0.0000191600000000 ]  - [  -0.0000154900000000, -0.0000263400000000,  0.0003824100000000 ]  - [   0.0000263400000000, -0.0000154900000000,  0.0003824100000000 ]  - [  -0.0000263400000000,  0.0000154900000000,  0.0003824100000000 ]  - [   0.0000154900000000,  0.0000263400000000,  0.0003824100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0679007600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0018209800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0018209800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001897400000000 ]- atom:   57  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0037976300000000, -0.0025290700000000,  0.0015942200000000 ]  - [   0.0013515900000000,  0.0048567800000000, -0.0050788300000000 ]  - [  -0.0008814700000000,  0.0005712700000000,  0.0002385100000000 ]  - [   0.0004281900000000, -0.0011899000000000, -0.0002047400000000 ]  - [   0.0028240300000000, -0.0053079000000000, -0.0046054800000000 ]  - [  -0.0033680500000000,  0.0019953300000000,  0.0010817500000000 ]  - [   0.0006151800000000,  0.0013750300000000, -0.0001608300000000 ]  - [  -0.0011058000000000, -0.0003793100000000,  0.0002231000000000 ]  - [   0.0083727100000000, -0.0004207400000000, -0.0010819900000000 ]  - [  -0.0041427800000000,  0.0020530800000000, -0.0014209800000000 ]  - [   0.0009193200000000,  0.0005619600000000,  0.0000231500000000 ]  - [  -0.0009625400000000, -0.0001668900000000, -0.0000594400000000 ]  - [  -0.0034354700000000, -0.0018065000000000, -0.0009334900000000 ]  - [   0.0094064000000000,  0.0009586700000000, -0.0018294500000000 ]  - [  -0.0010510400000000,  0.0001070400000000, -0.0000525700000000 ]  - [   0.0011554100000000, -0.0005170400000000, -0.0000240700000000 ]  - [  -0.0040666400000000,  0.0000331500000000,  0.0016747600000000 ]  - [  -0.0045271400000000,  0.0000321600000000, -0.0016705800000000 ]  - [  -0.0000567900000000,  0.0000150400000000, -0.0000184100000000 ]  - [  -0.0000622100000000,  0.0000155200000000,  0.0000098500000000 ]  - [   0.0059232600000000,  0.0001195200000000,  0.0005681200000000 ]  - [  -0.0018606000000000,  0.0000073600000000,  0.0000887400000000 ]  - [   0.0059235000000000,  0.0001376400000000, -0.0005669200000000 ]  - [  -0.0018609800000000,  0.0000031000000000, -0.0000823500000000 ]  - [   0.0095119700000000,  0.0008672500000000,  0.0019975700000000 ]  - [  -0.0034363500000000, -0.0018036600000000,  0.0009246100000000 ]  - [   0.0011547700000000, -0.0005204200000000,  0.0000294300000000 ]  - [  -0.0010617600000000,  0.0000986200000000,  0.0000519700000000 ]  - [  -0.0041598000000000,  0.0020730100000000,  0.0014328600000000 ]  - [   0.0082480000000000, -0.0005000600000000,  0.0009229800000000 ]  - [  -0.0009671700000000, -0.0001600500000000,  0.0000602900000000 ]  - [   0.0009135000000000,  0.0005595700000000, -0.0000272100000000 ]  - [  -0.0033636200000000,  0.0019938600000000, -0.0010925100000000 ]  - [   0.0027656300000000, -0.0053154300000000,  0.0046122700000000 ]  - [  -0.0010977200000000, -0.0003914000000000, -0.0002265800000000 ]  - [   0.0006092400000000,  0.0013765800000000,  0.0001634500000000 ]  - [   0.0014072100000000,  0.0048574300000000,  0.0050796300000000 ]  - [  -0.0037866000000000, -0.0025128900000000, -0.0015787300000000 ]  - [   0.0004349900000000, -0.0011856900000000,  0.0002044300000000 ]  - [  -0.0008731800000000,  0.0005753000000000, -0.0002350700000000 ]  - [   0.0029729600000000,  0.0001341000000000, -0.0009005200000000 ]  - [  -0.0015844400000000,  0.0000086200000000, -0.0000871200000000 ]  - [   0.0029751600000000,  0.0001359900000000,  0.0009070700000000 ]  - [  -0.0015845900000000,  0.0000045800000000,  0.0000806800000000 ]  - [  -0.0011401000000000, -0.0000084500000000,  0.0006609500000000 ]  - [  -0.0011542600000000, -0.0000061700000000, -0.0006505100000000 ]  - [  -0.0000624400000000,  0.0000142800000000,  0.0000880100000000 ]  - [  -0.0000668800000000,  0.0000144600000000, -0.0000791400000000 ]  - [  -0.0089216500000000,  0.0012390300000000, -0.0000194500000000 ]  - [   0.0039893400000000, -0.0003511200000000, -0.0000031500000000 ]  - [  -0.0089097000000000,  0.0011967900000000,  0.0000715700000000 ]  - [   0.0039906200000000, -0.0003406700000000,  0.0000023200000000 ]  - [   0.0103056600000000, -0.0001623800000000,  0.0121938800000000 ]  - [   0.0102347700000000, -0.0001520400000000, -0.0120344300000000 ]  - [   0.0003566800000000, -0.0001627600000000,  0.0001691800000000 ]  - [   0.0003706800000000, -0.0001658800000000, -0.0001659100000000 ]  - [  -0.0638683800000000,  0.0000005100000000,  0.0000899800000000 ]  - [   0.0070521200000000,  0.0000712000000000,  0.0000004100000000 ]  - [  -0.0014157200000000, -0.0000717100000000, -0.0000005900000000 ]  - [   0.0012799400000000,  0.0000000900000000, -0.0000008400000000 ]  - [   0.0036850500000000, -0.0069355600000000,  0.0004116400000000 ]  - [   0.0036000900000000,  0.0068743900000000, -0.0001372400000000 ]  - [   0.0036080500000000,  0.0069361600000000,  0.0001342300000000 ]  - [   0.0036762500000000, -0.0068741500000000, -0.0004089400000000 ]  - [   0.0007912300000000, -0.0015104200000000, -0.0004171200000000 ]  - [   0.0007190000000000,  0.0015108500000000,  0.0001258100000000 ]  - [   0.0007071200000000,  0.0015092500000000, -0.0001196300000000 ]  - [   0.0008024600000000, -0.0015100800000000,  0.0004116700000000 ]  - [  -0.0064977000000000,  0.0000004800000000,  0.0000002800000000 ]  - [   0.0029238400000000,  0.0000800600000000,  0.0000002800000000 ]  - [  -0.0013555800000000, -0.0000813500000000, -0.0000001800000000 ]  - [   0.0011761500000000, -0.0000002500000000,  0.0000005200000000 ]  - [   0.0174409900000000,  0.0003550000000000, -0.0205414200000000 ]  - [   0.0173125200000000,  0.0003343600000000,  0.0202734300000000 ]  - [   0.0003247700000000, -0.0000053000000000, -0.0002849300000000 ]  - [   0.0003370300000000, -0.0000029900000000,  0.0002810700000000 ]  - [  -0.0127003600000000, -0.0015374200000000, -0.0001593000000000 ]  - [   0.0046568800000000,  0.0002615900000000, -0.0000064400000000 ]  - [  -0.0127220700000000, -0.0016148900000000,  0.0000751100000000 ]  - [   0.0046549600000000,  0.0002744900000000,  0.0000073100000000 ]- atom:   57  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0022627200000000,  0.0010180400000000, -0.0000068300000000 ]  - [  -0.0054980400000000,  0.0047513800000000, -0.0031377000000000 ]  - [   0.0001017100000000, -0.0003161800000000,  0.0000172200000000 ]  - [  -0.0005800600000000, -0.0015123900000000,  0.0000030300000000 ]  - [  -0.0047665600000000, -0.0055079800000000, -0.0030673600000000 ]  - [   0.0015165400000000, -0.0005748400000000,  0.0000089000000000 ]  - [  -0.0010239700000000,  0.0022787900000000,  0.0000012000000000 ]  - [   0.0003141300000000,  0.0001092700000000,  0.0000180500000000 ]  - [  -0.0008107800000000, -0.0023347900000000,  0.0067014600000000 ]  - [  -0.0007436800000000, -0.0002510100000000,  0.0000896400000000 ]  - [  -0.0004166300000000, -0.0004405100000000,  0.0000868700000000 ]  - [   0.0000253000000000, -0.0001318900000000, -0.0000155600000000 ]  - [  -0.0004355300000000,  0.0004203600000000,  0.0000942000000000 ]  - [  -0.0026050700000000,  0.0010826000000000,  0.0072088600000000 ]  - [  -0.0001264000000000, -0.0000215900000000, -0.0000149200000000 ]  - [  -0.0002453500000000,  0.0007506800000000,  0.0000998200000000 ]  - [   0.0007616800000000, -0.0003368900000000,  0.0081157400000000 ]  - [  -0.0007616800000000,  0.0003368900000000,  0.0081157400000000 ]  - [  -0.0000878000000000,  0.0000173400000000,  0.0008338500000000 ]  - [   0.0000878000000000, -0.0000173400000000,  0.0008338500000000 ]  - [   0.0003375600000000,  0.0007234000000000,  0.0081335000000000 ]  - [  -0.0000177300000000, -0.0000876300000000,  0.0008386600000000 ]  - [  -0.0003375600000000, -0.0007234000000000,  0.0081335000000000 ]  - [   0.0000177300000000,  0.0000876300000000,  0.0008386600000000 ]  - [   0.0026050700000000, -0.0010826000000000,  0.0072088600000000 ]  - [   0.0004355300000000, -0.0004203600000000,  0.0000942000000000 ]  - [   0.0002453500000000, -0.0007506800000000,  0.0000998200000000 ]  - [   0.0001264000000000,  0.0000215900000000, -0.0000149200000000 ]  - [   0.0007436800000000,  0.0002510100000000,  0.0000896400000000 ]  - [   0.0008107800000000,  0.0023347900000000,  0.0067014600000000 ]  - [  -0.0000253000000000,  0.0001318900000000, -0.0000155600000000 ]  - [   0.0004166300000000,  0.0004405100000000,  0.0000868700000000 ]  - [  -0.0015165400000000,  0.0005748400000000,  0.0000089000000000 ]  - [   0.0047665600000000,  0.0055079800000000, -0.0030673600000000 ]  - [  -0.0003141300000000, -0.0001092700000000,  0.0000180500000000 ]  - [   0.0010239700000000, -0.0022787900000000,  0.0000012000000000 ]  - [   0.0054980400000000, -0.0047513800000000, -0.0031377000000000 ]  - [  -0.0022627200000000, -0.0010180400000000, -0.0000068300000000 ]  - [   0.0005800600000000,  0.0015123900000000,  0.0000030300000000 ]  - [  -0.0001017100000000,  0.0003161800000000,  0.0000172200000000 ]  - [   0.0003711700000000,  0.0004154400000000, -0.0060243000000000 ]  - [   0.0000172800000000, -0.0000813800000000, -0.0008037400000000 ]  - [  -0.0003711700000000, -0.0004154400000000, -0.0060243000000000 ]  - [  -0.0000172800000000,  0.0000813800000000, -0.0008037400000000 ]  - [   0.0003989200000000, -0.0003725100000000, -0.0060203200000000 ]  - [  -0.0003989200000000,  0.0003725100000000, -0.0060203200000000 ]  - [  -0.0000828000000000, -0.0000173900000000, -0.0007995000000000 ]  - [   0.0000828000000000,  0.0000173900000000, -0.0007995000000000 ]  - [  -0.0003785800000000,  0.0133039000000000,  0.0030884000000000 ]  - [   0.0002364800000000,  0.0009767900000000,  0.0000136600000000 ]  - [   0.0003785800000000, -0.0133039000000000,  0.0030884000000000 ]  - [  -0.0002364800000000, -0.0009767900000000,  0.0000136600000000 ]  - [   0.0133868300000000,  0.0003801600000000,  0.0030568500000000 ]  - [  -0.0133868300000000, -0.0003801600000000,  0.0030568500000000 ]  - [   0.0009753100000000, -0.0002373500000000,  0.0000130300000000 ]  - [  -0.0009753100000000,  0.0002373500000000,  0.0000130300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0763370900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008007800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007969800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002308400000000 ]  - [   0.0003989400000000,  0.0001472400000000, -0.0033546000000000 ]  - [  -0.0001235900000000,  0.0004204400000000, -0.0033540400000000 ]  - [   0.0001235900000000, -0.0004204400000000, -0.0033540400000000 ]  - [  -0.0003989400000000, -0.0001472400000000, -0.0033546000000000 ]  - [   0.0004177600000000,  0.0001200600000000,  0.0028943000000000 ]  - [  -0.0001257700000000,  0.0004110800000000,  0.0029005400000000 ]  - [   0.0001257700000000, -0.0004110800000000,  0.0029005400000000 ]  - [  -0.0004177600000000, -0.0001200600000000,  0.0028943000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0197514900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008611000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008573500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002304600000000 ]  - [  -0.0210403300000000,  0.0008322300000000,  0.0053312400000000 ]  - [   0.0210403300000000, -0.0008322300000000,  0.0053312400000000 ]  - [  -0.0004932400000000,  0.0000286800000000,  0.0000032400000000 ]  - [   0.0004932400000000, -0.0000286800000000,  0.0000032400000000 ]  - [  -0.0008339300000000, -0.0211837000000000,  0.0052786400000000 ]  - [  -0.0000277500000000, -0.0004935700000000,  0.0000006200000000 ]  - [   0.0008339300000000,  0.0211837000000000,  0.0052786400000000 ]  - [   0.0000277500000000,  0.0004935700000000,  0.0000006200000000 ]- atom:   73  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0550637700000000,  0.0460477700000000,  0.0000000000000000 ]  - [  -0.0107338700000000, -0.0016801900000000,  0.0000000000000000 ]  - [   0.0081149400000000,  0.0081056800000000,  0.0000000000000000 ]  - [  -0.0026997300000000, -0.0012977600000000,  0.0000000000000000 ]  - [   0.0049037400000000, -0.0017060000000000,  0.0000000000000000 ]  - [  -0.0034589100000000,  0.0001513400000000,  0.0000000000000000 ]  - [   0.0022641300000000, -0.0011980200000000,  0.0000000000000000 ]  - [  -0.0035909800000000,  0.0024124200000000,  0.0000000000000000 ]  - [   0.0758348200000000, -0.0398439900000000,  0.0000000000000000 ]  - [  -0.0102398900000000, -0.0002266700000000,  0.0000000000000000 ]  - [   0.0023384700000000, -0.0055241000000000,  0.0000000000000000 ]  - [  -0.0022914900000000,  0.0013222900000000,  0.0000000000000000 ]  - [   0.0047037100000000,  0.0012856700000000,  0.0000000000000000 ]  - [  -0.0035914400000000,  0.0002984600000000,  0.0000000000000000 ]  - [   0.0031427600000000,  0.0015033000000000,  0.0000000000000000 ]  - [  -0.0024393400000000, -0.0015128200000000,  0.0000000000000000 ]  - [   0.0224748500000000, -0.0003540100000000, -0.0003061400000000 ]  - [  -0.0052958500000000, -0.0001594000000000,  0.0000014900000000 ]  - [   0.0026066200000000, -0.0000057900000000,  0.0000072500000000 ]  - [  -0.0018750600000000,  0.0002452900000000, -0.0000034300000000 ]  - [  -0.0021602800000000, -0.0028950900000000,  0.0053202900000000 ]  - [  -0.0020196400000000,  0.0041370400000000, -0.0081674700000000 ]  - [  -0.0020144000000000,  0.0041111700000000,  0.0081785400000000 ]  - [  -0.0021530800000000, -0.0029137400000000, -0.0053134100000000 ]  - [   0.0046450500000000,  0.0012633600000000,  0.0000000000000000 ]  - [  -0.0035815800000000,  0.0003303300000000,  0.0000000000000000 ]  - [   0.0031409700000000,  0.0015027600000000,  0.0000000000000000 ]  - [  -0.0024356300000000, -0.0015166000000000,  0.0000000000000000 ]  - [   0.0803802300000000, -0.0436193900000000,  0.0000000000000000 ]  - [  -0.0101923300000000, -0.0001909100000000,  0.0000000000000000 ]  - [   0.0023367900000000, -0.0054986500000000,  0.0000000000000000 ]  - [  -0.0022975200000000,  0.0013195000000000,  0.0000000000000000 ]  - [   0.0049559000000000, -0.0017404700000000,  0.0000000000000000 ]  - [  -0.0034716400000000,  0.0001756900000000,  0.0000000000000000 ]  - [   0.0022755600000000, -0.0012042500000000,  0.0000000000000000 ]  - [  -0.0035957100000000,  0.0024085700000000,  0.0000000000000000 ]  - [   0.0537059400000000,  0.0435929600000000,  0.0000000000000000 ]  - [  -0.0106976000000000, -0.0016299300000000,  0.0000000000000000 ]  - [   0.0081136100000000,  0.0080732900000000,  0.0000000000000000 ]  - [  -0.0026958000000000, -0.0013034700000000,  0.0000000000000000 ]  - [  -0.0021602800000000, -0.0028950900000000, -0.0053202900000000 ]  - [  -0.0020196400000000,  0.0041370400000000,  0.0081674700000000 ]  - [  -0.0020144000000000,  0.0041111700000000, -0.0081785400000000 ]  - [  -0.0021530800000000, -0.0029137400000000,  0.0053134100000000 ]  - [   0.0224748500000000, -0.0003540100000000,  0.0003061400000000 ]  - [  -0.0052958500000000, -0.0001594000000000, -0.0000014900000000 ]  - [   0.0026066200000000, -0.0000057900000000, -0.0000072500000000 ]  - [  -0.0018750600000000,  0.0002452900000000,  0.0000034300000000 ]  - [   0.0151668200000000,  0.0128059000000000,  0.0000000000000000 ]  - [   0.0168416800000000, -0.0219148100000000,  0.0000000000000000 ]  - [   0.0167819400000000, -0.0218443600000000,  0.0000000000000000 ]  - [   0.0151339700000000,  0.0128870300000000,  0.0000000000000000 ]  - [  -0.0027357600000000, -0.0000297500000000,  0.0000000000000000 ]  - [   0.0070995900000000,  0.0004874900000000,  0.0000000000000000 ]  - [  -0.0037303400000000,  0.0007538500000000,  0.0000000000000000 ]  - [   0.0046848200000000, -0.0014851300000000,  0.0000000000000000 ]  - [   0.0172817700000000,  0.0015766600000000, -0.0209853400000000 ]  - [   0.0174683300000000,  0.0015758400000000,  0.0212404500000000 ]  - [   0.0003364000000000, -0.0002670500000000, -0.0004927200000000 ]  - [   0.0003271100000000, -0.0002694000000000,  0.0004936900000000 ]  - [  -0.0127241800000000, -0.0003240400000000, -0.0008426400000000 ]  - [   0.0046577000000000, -0.0000023100000000, -0.0000263600000000 ]  - [  -0.0127074200000000, -0.0003658000000000,  0.0008236400000000 ]  - [   0.0046575700000000,  0.0000108500000000,  0.0000316900000000 ]  - [  -0.0127241800000000, -0.0003240400000000,  0.0008426400000000 ]  - [   0.0046577000000000, -0.0000023100000000,  0.0000263600000000 ]  - [  -0.0127074200000000, -0.0003658000000000, -0.0008236400000000 ]  - [   0.0046575700000000,  0.0000108500000000, -0.0000316900000000 ]  - [   0.0172817700000000,  0.0015766600000000,  0.0209853400000000 ]  - [   0.0174683300000000,  0.0015758400000000, -0.0212404500000000 ]  - [   0.0003364000000000, -0.0002670500000000,  0.0004927200000000 ]  - [   0.0003271100000000, -0.0002694000000000, -0.0004936900000000 ]  - [  -0.3712230200000000,  0.0000406100000000,  0.0000000000000000 ]  - [   0.0180119900000000,  0.0012847200000000,  0.0000000000000000 ]  - [  -0.0128342600000000, -0.0012854800000000,  0.0000000000000000 ]  - [   0.0057449900000000, -0.0000000500000000,  0.0000000000000000 ]  - [   0.0000427600000000,  0.0016730300000000,  0.0000000000000000 ]  - [  -0.0023342300000000, -0.0016919900000000,  0.0000000000000000 ]  - [  -0.0023010600000000, -0.0016663100000000,  0.0000000000000000 ]  - [   0.0000223000000000,  0.0016846900000000,  0.0000000000000000 ]- atom:   73  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0001863000000000, -0.0002754600000000,  0.0208655100000000 ]  - [  -0.0000122100000000, -0.0000071400000000,  0.0005960900000000 ]  - [  -0.0000103200000000, -0.0000126100000000,  0.0019514800000000 ]  - [  -0.0000004400000000, -0.0000006200000000,  0.0001537700000000 ]  - [  -0.0000218000000000,  0.0000172000000000, -0.0122650300000000 ]  - [   0.0000019400000000, -0.0000034200000000, -0.0006203600000000 ]  - [   0.0000029900000000,  0.0000035200000000, -0.0020342700000000 ]  - [   0.0000011000000000, -0.0000027400000000, -0.0001076600000000 ]  - [   0.0002754600000000, -0.0001863000000000,  0.0208655100000000 ]  - [   0.0000126100000000, -0.0000103200000000,  0.0019514800000000 ]  - [   0.0000071400000000, -0.0000122100000000,  0.0005960900000000 ]  - [   0.0000006200000000, -0.0000004400000000,  0.0001537700000000 ]  - [   0.0000172000000000,  0.0000218000000000, -0.0122650300000000 ]  - [   0.0000035200000000, -0.0000029900000000, -0.0020342700000000 ]  - [  -0.0000034200000000, -0.0000019400000000, -0.0006203600000000 ]  - [  -0.0000027400000000, -0.0000011000000000, -0.0001076600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.1092194500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003161900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003161900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000461900000000 ]  - [   0.0004466700000000,  0.0005458700000000,  0.0005402400000000 ]  - [  -0.0005458700000000,  0.0004466700000000,  0.0005402400000000 ]  - [   0.0005458700000000, -0.0004466700000000,  0.0005402400000000 ]  - [  -0.0004466700000000, -0.0005458700000000,  0.0005402400000000 ]  - [  -0.0000172000000000, -0.0000218000000000, -0.0122650300000000 ]  - [  -0.0000035200000000,  0.0000029900000000, -0.0020342700000000 ]  - [   0.0000034200000000,  0.0000019400000000, -0.0006203600000000 ]  - [   0.0000027400000000,  0.0000011000000000, -0.0001076600000000 ]  - [  -0.0002754600000000,  0.0001863000000000,  0.0208655100000000 ]  - [  -0.0000126100000000,  0.0000103200000000,  0.0019514800000000 ]  - [  -0.0000071400000000,  0.0000122100000000,  0.0005960900000000 ]  - [  -0.0000006200000000,  0.0000004400000000,  0.0001537700000000 ]  - [   0.0000218000000000, -0.0000172000000000, -0.0122650300000000 ]  - [  -0.0000019400000000,  0.0000034200000000, -0.0006203600000000 ]  - [  -0.0000029900000000, -0.0000035200000000, -0.0020342700000000 ]  - [  -0.0000011000000000,  0.0000027400000000, -0.0001076600000000 ]  - [   0.0001863000000000,  0.0002754600000000,  0.0208655100000000 ]  - [   0.0000122100000000,  0.0000071400000000,  0.0005960900000000 ]  - [   0.0000103200000000,  0.0000126100000000,  0.0019514800000000 ]  - [   0.0000004400000000,  0.0000006200000000,  0.0001537700000000 ]  - [  -0.0004407700000000, -0.0005414900000000,  0.0005215300000000 ]  - [   0.0005414900000000, -0.0004407700000000,  0.0005215300000000 ]  - [  -0.0005414900000000,  0.0004407700000000,  0.0005215300000000 ]  - [   0.0004407700000000,  0.0005414900000000,  0.0005215300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0999699500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003103300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003103300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000402900000000 ]  - [   0.0000110100000000,  0.0000089400000000,  0.0003785500000000 ]  - [  -0.0000089400000000,  0.0000110100000000,  0.0003785500000000 ]  - [   0.0000089400000000, -0.0000110100000000,  0.0003785500000000 ]  - [  -0.0000110100000000, -0.0000089400000000,  0.0003785500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0678979000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0018151600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0018151600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001805300000000 ]  - [  -0.0204923500000000,  0.0001140800000000,  0.0053049600000000 ]  - [   0.0204923500000000, -0.0001140800000000,  0.0053049600000000 ]  - [  -0.0002825200000000,  0.0000055200000000, -0.0000003800000000 ]  - [   0.0002825200000000, -0.0000055200000000, -0.0000003800000000 ]  - [  -0.0001140800000000, -0.0204923500000000,  0.0053049600000000 ]  - [  -0.0000055200000000, -0.0002825200000000, -0.0000003800000000 ]  - [   0.0001140800000000,  0.0204923500000000,  0.0053049600000000 ]  - [   0.0000055200000000,  0.0002825200000000, -0.0000003800000000 ]  - [   0.0001193100000000,  0.0203229400000000,  0.0053017200000000 ]  - [   0.0000074900000000,  0.0002828800000000,  0.0000032400000000 ]  - [  -0.0001193100000000, -0.0203229400000000,  0.0053017200000000 ]  - [  -0.0000074900000000, -0.0002828800000000,  0.0000032400000000 ]  - [   0.0203229400000000, -0.0001193100000000,  0.0053017200000000 ]  - [  -0.0203229400000000,  0.0001193100000000,  0.0053017200000000 ]  - [   0.0002828800000000, -0.0000074900000000,  0.0000032400000000 ]  - [  -0.0002828800000000,  0.0000074900000000,  0.0000032400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.3635776100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0031533400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0031533400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002594300000000 ]  - [  -0.0000127800000000, -0.0000074700000000,  0.0013871300000000 ]  - [   0.0000074700000000, -0.0000127800000000,  0.0013871300000000 ]  - [  -0.0000074700000000,  0.0000127800000000,  0.0013871300000000 ]  - [   0.0000127800000000,  0.0000074700000000,  0.0013871300000000 ]