# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/3b374c1f-9175-454c-86e8-0b4b713efd2d/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 LiAlSiO4 / P6_222 (180) / materials id 558713](https://mdr.nims.go.jp/datasets/6b31b0c7-9922-4d8c-98de-cbb9f0108cba)

## 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: "P6_222"  number: 180  Hall_symbol: "P 62 2c (0 0 1)"supercell_matrix:- [   2,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     5.320095120000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -2.660047550000000,     4.607337520000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    11.029823940000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.833333330000000 ]    mass: 6.941000  - symbol: Li # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.166666670000000 ]    mass: 6.941000  - symbol: Li # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 6.941000  - symbol: Al # 4    coordinates: [  0.500000000000000,  0.500000000000000,  0.833333330000000 ]    mass: 26.981539  - symbol: Al # 5    coordinates: [  0.000000000000000,  0.500000000000000,  0.166666670000000 ]    mass: 26.981539  - symbol: Al # 6    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 26.981539  - symbol: Si # 7    coordinates: [  0.000000000000000,  0.500000000000000,  0.666666670000000 ]    mass: 28.085500  - symbol: Si # 8    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 28.085500  - symbol: Si # 9    coordinates: [  0.500000000000000,  0.500000000000000,  0.333333330000000 ]    mass: 28.085500  - symbol: O  # 10    coordinates: [  0.786565220000000,  0.184854820000000,  0.084564380000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.601710410000000,  0.786565220000000,  0.417897710000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.184854820000000,  0.786565220000000,  0.582102290000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.398289590000000,  0.213434780000000,  0.417897710000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.786565220000000,  0.601710410000000,  0.248768960000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.815145180000000,  0.601710410000000,  0.751231040000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.184854820000000,  0.398289590000000,  0.751231040000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.398289590000000,  0.184854820000000,  0.915435620000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.213434780000000,  0.398289590000000,  0.248768960000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.213434780000000,  0.815145180000000,  0.084564380000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.815145180000000,  0.213434780000000,  0.582102290000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.601710410000000,  0.815145180000000,  0.915435620000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.187966564026397,     0.108522546036596,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.217045092889136,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.090663278529177 ] # c*unit_cell:  lattice:  - [     5.320095120000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -2.660047550000000,     4.607337520000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    11.029823940000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.833333330000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.166666670000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 3  - symbol: Al # 4    coordinates: [  0.500000000000000,  0.500000000000000,  0.833333330000000 ]    mass: 26.981539    reduced_to: 4  - symbol: Al # 5    coordinates: [  0.000000000000000,  0.500000000000000,  0.166666670000000 ]    mass: 26.981539    reduced_to: 5  - symbol: Al # 6    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 26.981539    reduced_to: 6  - symbol: Si # 7    coordinates: [  0.000000000000000,  0.500000000000000,  0.666666670000000 ]    mass: 28.085500    reduced_to: 7  - symbol: Si # 8    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 28.085500    reduced_to: 8  - symbol: Si # 9    coordinates: [  0.500000000000000,  0.500000000000000,  0.333333330000000 ]    mass: 28.085500    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.786565220000000,  0.184854820000000,  0.084564380000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.601710410000000,  0.786565220000000,  0.417897710000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.184854820000000,  0.786565220000000,  0.582102290000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.398289590000000,  0.213434780000000,  0.417897710000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.786565220000000,  0.601710410000000,  0.248768960000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.815145180000000,  0.601710410000000,  0.751231040000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.184854820000000,  0.398289590000000,  0.751231040000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.398289590000000,  0.184854820000000,  0.915435620000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.213434780000000,  0.398289590000000,  0.248768960000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.213434780000000,  0.815145180000000,  0.084564380000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.815145180000000,  0.213434780000000,  0.582102290000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.601710410000000,  0.815145180000000,  0.915435620000000 ]    mass: 15.999400    reduced_to: 21supercell:  lattice:  - [    10.640190240000001,     0.000000000000000,     0.000000000000000 ] # a  - [    -5.320095100000000,     9.214675039999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    11.029823940000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.833333330000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 2    coordinates: [  0.500000000000000,  0.000000000000000,  0.833333330000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 3    coordinates: [  0.000000000000000,  0.500000000000000,  0.833333330000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 4    coordinates: [  0.500000000000000,  0.500000000000000,  0.833333330000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 5    coordinates: [  0.000000000000000,  0.000000000000000,  0.166666670000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 6    coordinates: [  0.500000000000000,  0.000000000000000,  0.166666670000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 7    coordinates: [  0.000000000000000,  0.500000000000000,  0.166666670000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 8    coordinates: [  0.500000000000000,  0.500000000000000,  0.166666670000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 9    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 10    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 11    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 12    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Al # 13    coordinates: [  0.250000000000000,  0.250000000000000,  0.833333330000000 ]    mass: 26.981539    reduced_to: 13  - symbol: Al # 14    coordinates: [  0.750000000000000,  0.250000000000000,  0.833333330000000 ]    mass: 26.981539    reduced_to: 13  - symbol: Al # 15    coordinates: [  0.250000000000000,  0.750000000000000,  0.833333330000000 ]    mass: 26.981539    reduced_to: 13  - symbol: Al # 16    coordinates: [  0.750000000000000,  0.750000000000000,  0.833333330000000 ]    mass: 26.981539    reduced_to: 13  - symbol: Al # 17    coordinates: [  0.000000000000000,  0.250000000000000,  0.166666670000000 ]    mass: 26.981539    reduced_to: 17  - symbol: Al # 18    coordinates: [  0.500000000000000,  0.250000000000000,  0.166666670000000 ]    mass: 26.981539    reduced_to: 17  - symbol: Al # 19    coordinates: [  0.000000000000000,  0.750000000000000,  0.166666670000000 ]    mass: 26.981539    reduced_to: 17  - symbol: Al # 20    coordinates: [  0.500000000000000,  0.750000000000000,  0.166666670000000 ]    mass: 26.981539    reduced_to: 17  - symbol: Al # 21    coordinates: [  0.250000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 26.981539    reduced_to: 21  - symbol: Al # 22    coordinates: [  0.750000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 26.981539    reduced_to: 21  - symbol: Al # 23    coordinates: [  0.250000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 26.981539    reduced_to: 21  - symbol: Al # 24    coordinates: [  0.750000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 26.981539    reduced_to: 21  - symbol: Si # 25    coordinates: [  0.000000000000000,  0.250000000000000,  0.666666670000000 ]    mass: 28.085500    reduced_to: 25  - symbol: Si # 26    coordinates: [  0.500000000000000,  0.250000000000000,  0.666666670000000 ]    mass: 28.085500    reduced_to: 25  - symbol: Si # 27    coordinates: [  0.000000000000000,  0.750000000000000,  0.666666670000000 ]    mass: 28.085500    reduced_to: 25  - symbol: Si # 28    coordinates: [  0.500000000000000,  0.750000000000000,  0.666666670000000 ]    mass: 28.085500    reduced_to: 25  - symbol: Si # 29    coordinates: [  0.250000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 28.085500    reduced_to: 29  - symbol: Si # 30    coordinates: [  0.750000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 28.085500    reduced_to: 29  - symbol: Si # 31    coordinates: [  0.250000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 28.085500    reduced_to: 29  - symbol: Si # 32    coordinates: [  0.750000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 28.085500    reduced_to: 29  - symbol: Si # 33    coordinates: [  0.250000000000000,  0.250000000000000,  0.333333330000000 ]    mass: 28.085500    reduced_to: 33  - symbol: Si # 34    coordinates: [  0.750000000000000,  0.250000000000000,  0.333333330000000 ]    mass: 28.085500    reduced_to: 33  - symbol: Si # 35    coordinates: [  0.250000000000000,  0.750000000000000,  0.333333330000000 ]    mass: 28.085500    reduced_to: 33  - symbol: Si # 36    coordinates: [  0.750000000000000,  0.750000000000000,  0.333333330000000 ]    mass: 28.085500    reduced_to: 33  - symbol: O  # 37    coordinates: [  0.393282610000000,  0.092427410000000,  0.084564380000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.893282610000000,  0.092427410000000,  0.084564380000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 39    coordinates: [  0.393282610000000,  0.592427410000000,  0.084564380000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 40    coordinates: [  0.893282610000000,  0.592427410000000,  0.084564380000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 41    coordinates: [  0.300855205000000,  0.393282610000000,  0.417897710000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.800855205000000,  0.393282610000000,  0.417897710000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 43    coordinates: [  0.300855205000000,  0.893282610000000,  0.417897710000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 44    coordinates: [  0.800855205000000,  0.893282610000000,  0.417897710000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 45    coordinates: [  0.092427410000000,  0.393282610000000,  0.582102290000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.592427410000000,  0.393282610000000,  0.582102290000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 47    coordinates: [  0.092427410000000,  0.893282610000000,  0.582102290000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 48    coordinates: [  0.592427410000000,  0.893282610000000,  0.582102290000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 49    coordinates: [  0.199144795000000,  0.106717390000000,  0.417897710000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.699144795000000,  0.106717390000000,  0.417897710000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 51    coordinates: [  0.199144795000000,  0.606717390000000,  0.417897710000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 52    coordinates: [  0.699144795000000,  0.606717390000000,  0.417897710000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 53    coordinates: [  0.393282610000000,  0.300855205000000,  0.248768960000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 54    coordinates: [  0.893282610000000,  0.300855205000000,  0.248768960000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 55    coordinates: [  0.393282610000000,  0.800855205000000,  0.248768960000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 56    coordinates: [  0.893282610000000,  0.800855205000000,  0.248768960000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 57    coordinates: [  0.407572590000000,  0.300855205000000,  0.751231040000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 58    coordinates: [  0.907572590000000,  0.300855205000000,  0.751231040000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 59    coordinates: [  0.407572590000000,  0.800855205000000,  0.751231040000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 60    coordinates: [  0.907572590000000,  0.800855205000000,  0.751231040000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 61    coordinates: [  0.092427410000000,  0.199144795000000,  0.751231040000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 62    coordinates: [  0.592427410000000,  0.199144795000000,  0.751231040000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 63    coordinates: [  0.092427410000000,  0.699144795000000,  0.751231040000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 64    coordinates: [  0.592427410000000,  0.699144795000000,  0.751231040000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 65    coordinates: [  0.199144795000000,  0.092427410000000,  0.915435620000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 66    coordinates: [  0.699144795000000,  0.092427410000000,  0.915435620000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 67    coordinates: [  0.199144795000000,  0.592427410000000,  0.915435620000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 68    coordinates: [  0.699144795000000,  0.592427410000000,  0.915435620000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 69    coordinates: [  0.106717390000000,  0.199144795000000,  0.248768960000000 ]    mass: 15.999400    reduced_to: 69  - symbol: O  # 70    coordinates: [  0.606717390000000,  0.199144795000000,  0.248768960000000 ]    mass: 15.999400    reduced_to: 69  - symbol: O  # 71    coordinates: [  0.106717390000000,  0.699144795000000,  0.248768960000000 ]    mass: 15.999400    reduced_to: 69  - symbol: O  # 72    coordinates: [  0.606717390000000,  0.699144795000000,  0.248768960000000 ]    mass: 15.999400    reduced_to: 69  - symbol: O  # 73    coordinates: [  0.106717390000000,  0.407572590000000,  0.084564380000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 74    coordinates: [  0.606717390000000,  0.407572590000000,  0.084564380000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 75    coordinates: [  0.106717390000000,  0.907572590000000,  0.084564380000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 76    coordinates: [  0.606717390000000,  0.907572590000000,  0.084564380000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 77    coordinates: [  0.407572590000000,  0.106717390000000,  0.582102290000000 ]    mass: 15.999400    reduced_to: 77  - symbol: O  # 78    coordinates: [  0.907572590000000,  0.106717390000000,  0.582102290000000 ]    mass: 15.999400    reduced_to: 77  - symbol: O  # 79    coordinates: [  0.407572590000000,  0.606717390000000,  0.582102290000000 ]    mass: 15.999400    reduced_to: 77  - symbol: O  # 80    coordinates: [  0.907572590000000,  0.606717390000000,  0.582102290000000 ]    mass: 15.999400    reduced_to: 77  - symbol: O  # 81    coordinates: [  0.300855205000000,  0.407572590000000,  0.915435620000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 82    coordinates: [  0.800855205000000,  0.407572590000000,  0.915435620000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 83    coordinates: [  0.300855205000000,  0.907572590000000,  0.915435620000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 84    coordinates: [  0.800855205000000,  0.907572590000000,  0.915435620000000 ]    mass: 15.999400    reduced_to: 81born_effective_charge:- # 1 (Li)  - [  1.042402240000000,  0.071242570000000,  0.000000000000000 ]  - [  0.071242570000000,  1.124666070000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  0.965822370000000 ]- # 2 (Li)  - [  1.042402237049109, -0.071242568158076,  0.000000000000000 ]  - [ -0.071242568434528,  1.124666072950891,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  0.965822370000000 ]- # 3 (Li)  - [  1.165797987950891, -0.000000001366760,  0.000000000000000 ]  - [ -0.000000002040635,  1.001270322049109,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  0.965822370000000 ]- # 4 (Al)  - [  2.756066940000000, -0.093406340000000,  0.000000000000000 ]  - [ -0.093406340000000,  2.648210580000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.491468310000000 ]- # 5 (Al)  - [  2.756066933314527,  0.093406343678631,  0.000000000000000 ]  - [  0.093406344041089,  2.648210586685474,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.491468310000000 ]- # 6 (Al)  - [  2.594282406685473, -0.000000004301620,  0.000000000000000 ]  - [ -0.000000003418100,  2.809995113314527,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.491468310000000 ]- # 7 (Si)  - [  3.033785970000000, -0.053379740000000,  0.000000000000000 ]  - [ -0.053379740000000,  3.095423590000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.113461730000000 ]- # 8 (Si)  - [  3.126242395887408, -0.000000002225518,  0.000000000000000 ]  - [ -0.000000002523294,  3.002967164112592,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.113461730000000 ]- # 9 (Si)  - [  3.033785974112591,  0.053379742270837,  0.000000000000000 ]  - [  0.053379742477974,  3.095423585887409,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.113461730000000 ]- # 10 (O)  - [ -1.602274050000000, -0.362529060000000, -0.441190500000000 ]  - [ -0.383188490000000, -1.822864790000000, -0.558144640000000 ]  - [ -0.435510290000000, -0.551133770000000, -1.642688100000000 ]- # 11 (O)  - [ -1.444811933801102,  0.292277694511886,  0.262772187586491 ]  - [  0.271618265098827, -1.980326906198898, -0.661154502328145 ]  - [  0.259540700347905, -0.652729858347691, -1.642688100000000 ]- # 12 (O)  - [ -1.444811935069851, -0.292277694511886,  0.262772187586491 ]  - [ -0.271618267423445, -1.980326904930149,  0.661154501187477 ]  - [  0.259540703181342,  0.652729858347691, -1.642688100000000 ]- # 13 (O)  - [ -1.444811933801102,  0.292277694511886, -0.262772187586491 ]  - [  0.271618265098827, -1.980326906198898,  0.661154502328145 ]  - [ -0.259540700347905,  0.652729858347691, -1.642688100000000 ]- # 14 (O)  - [ -2.090622276571112, -0.101240508654738,  0.703962687586491 ]  - [ -0.080581078392243, -1.334516563428887,  0.103009859272312 ]  - [  0.695050990788924,  0.101596088347691, -1.642688100000000 ]- # 15 (O)  - [ -2.090622276131637,  0.101240508654738,  0.703962687586491 ]  - [  0.080581081674424, -1.334516563868362, -0.103009862328145 ]  - [  0.695050990347905, -0.101596088347692, -1.642688100000000 ]- # 16 (O)  - [ -2.090622276131637,  0.101240508654738, -0.703962687586491 ]  - [  0.080581081674424, -1.334516563868362,  0.103009862328145 ]  - [ -0.695050990347905,  0.101596088347692, -1.642688100000000 ]- # 17 (O)  - [ -1.602274048426297,  0.362529060000000, -0.441190500000000 ]  - [  0.383188489042437, -1.822864791573703,  0.558144641915165 ]  - [ -0.435510287607583,  0.551133770000000, -1.642688100000000 ]- # 18 (O)  - [ -2.090622276571112, -0.101240508654738, -0.703962687586491 ]  - [ -0.080581078392243, -1.334516563428887, -0.103009859272312 ]  - [ -0.695050990788924, -0.101596088347691, -1.642688100000000 ]- # 19 (O)  - [ -1.602274050000000, -0.362529060000000,  0.441190500000000 ]  - [ -0.383188490000000, -1.822864790000000,  0.558144640000000 ]  - [  0.435510290000000,  0.551133770000000, -1.642688100000000 ]- # 20 (O)  - [ -1.444811935069851, -0.292277694511886, -0.262772187586491 ]  - [ -0.271618267423445, -1.980326904930149, -0.661154501187477 ]  - [ -0.259540703181342, -0.652729858347691, -1.642688100000000 ]- # 21 (O)  - [ -1.602274048426297,  0.362529060000000,  0.441190500000000 ]  - [  0.383188489042437, -1.822864791573703, -0.558144641915165 ]  - [  0.435510287607583, -0.551133770000000, -1.642688100000000 ]dielectric_constant:  - [  2.436350750000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  2.436350750000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.407602160000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0323905600000000, -0.0156962000000000, -0.0003414700000000 ]  - [   0.0017338600000000,  0.0002551400000000, -0.0000005400000000 ]  - [  -0.0000678600000000, -0.0007854100000000, -0.0000009700000000 ]  - [   0.0002102600000000,  0.0009936600000000,  0.0000006000000000 ]  - [  -0.0018011500000000,  0.0000934100000000,  0.0000012400000000 ]  - [   0.0011231400000000, -0.0002810600000000,  0.0000050900000000 ]  - [   0.0000284000000000, -0.0003355500000000,  0.0000041400000000 ]  - [   0.0000278400000000,  0.0004034100000000,  0.0000040900000000 ]  - [  -0.0011215400000000,  0.0002957300000000,  0.0000003400000000 ]  - [   0.0005473800000000, -0.0001032900000000, -0.0000045200000000 ]  - [   0.0001022600000000, -0.0003088700000000, -0.0000033500000000 ]  - [  -0.0000924600000000,  0.0002657500000000, -0.0000039000000000 ]  - [  -0.0016931900000000,  0.0151253400000000, -0.0036136000000000 ]  - [   0.0021983100000000, -0.0019603200000000,  0.0010123800000000 ]  - [   0.0022053700000000, -0.0019782300000000, -0.0010176100000000 ]  - [  -0.0016216200000000,  0.0150637500000000,  0.0036181800000000 ]  - [  -0.0012346000000000, -0.0020119700000000, -0.0012829600000000 ]  - [   0.0010974800000000,  0.0015159300000000,  0.0011061000000000 ]  - [  -0.0012364100000000, -0.0020181000000000,  0.0012840800000000 ]  - [   0.0010997500000000,  0.0015132400000000, -0.0011047800000000 ]  - [   0.0008106100000000,  0.0005309900000000, -0.0014330300000000 ]  - [   0.0008157000000000,  0.0005316400000000,  0.0014279600000000 ]  - [  -0.0000190500000000, -0.0000614900000000,  0.0003790000000000 ]  - [  -0.0000116300000000, -0.0000555400000000, -0.0003759100000000 ]  - [  -0.0015752900000000, -0.0047286800000000,  0.0016344600000000 ]  - [   0.0022380800000000,  0.0005247300000000, -0.0006218200000000 ]  - [  -0.0016436300000000, -0.0047405700000000, -0.0016299500000000 ]  - [   0.0022370100000000,  0.0005170400000000,  0.0006132300000000 ]  - [   0.0094671900000000, -0.0040636500000000,  0.0086841800000000 ]  - [   0.0094290300000000, -0.0041054900000000, -0.0086257200000000 ]  - [  -0.0005050200000000,  0.0003740600000000,  0.0014062500000000 ]  - [  -0.0005086500000000,  0.0003798600000000, -0.0014090000000000 ]  - [  -0.0008676400000000,  0.0004705600000000,  0.0001058100000000 ]  - [   0.0009136300000000, -0.0004106800000000,  0.0000208600000000 ]  - [   0.0009133700000000, -0.0004157400000000, -0.0000144500000000 ]  - [  -0.0008685600000000,  0.0004687400000000, -0.0000983000000000 ]  - [  -0.0028208300000000, -0.0006133800000000, -0.0024328000000000 ]  - [   0.0006323200000000,  0.0025564900000000,  0.0036076700000000 ]  - [  -0.0003864500000000, -0.0006950300000000, -0.0003154800000000 ]  - [   0.0004789900000000,  0.0006511100000000,  0.0002592000000000 ]  - [   0.0002729200000000, -0.0002826600000000, -0.0001723900000000 ]  - [  -0.0002765600000000,  0.0002615300000000,  0.0001582000000000 ]  - [  -0.0005450300000000,  0.0002400800000000,  0.0002987300000000 ]  - [   0.0003796700000000, -0.0004864400000000, -0.0003524600000000 ]  - [   0.0003677900000000,  0.0006231000000000, -0.0001063900000000 ]  - [  -0.0004118100000000, -0.0004388600000000,  0.0003751900000000 ]  - [   0.0001943200000000,  0.0010791200000000,  0.0016805600000000 ]  - [  -0.0007782000000000, -0.0002948700000000, -0.0003909900000000 ]  - [   0.0003743100000000, -0.0004626300000000,  0.0003459400000000 ]  - [  -0.0005537700000000,  0.0002572900000000, -0.0003005800000000 ]  - [  -0.0002817800000000,  0.0002881700000000, -0.0001659000000000 ]  - [   0.0002636000000000, -0.0002609900000000,  0.0001665500000000 ]  - [   0.0001935400000000, -0.0004063900000000, -0.0003912100000000 ]  - [  -0.0003655000000000,  0.0005213400000000,  0.0004117600000000 ]  - [  -0.0008823000000000, -0.0000932100000000,  0.0003838600000000 ]  - [   0.0010621000000000,  0.0000741400000000, -0.0002875700000000 ]  - [  -0.0010306200000000, -0.0016836300000000,  0.0014079200000000 ]  - [   0.0001419300000000,  0.0013009100000000, -0.0004416800000000 ]  - [  -0.0015858200000000,  0.0001055200000000,  0.0005711600000000 ]  - [   0.0088947800000000, -0.0006742400000000, -0.0021646600000000 ]  - [   0.0088744000000000, -0.0006861600000000,  0.0021722800000000 ]  - [  -0.0016119400000000,  0.0001096900000000, -0.0005749900000000 ]  - [   0.0001301900000000,  0.0013163100000000,  0.0004440900000000 ]  - [  -0.0010595500000000, -0.0016710000000000, -0.0014110100000000 ]  - [   0.0043261200000000, -0.0000807200000000, -0.0013071400000000 ]  - [  -0.0032572400000000,  0.0019961400000000, -0.0001284400000000 ]  - [  -0.0002321500000000,  0.0005578800000000, -0.0002468400000000 ]  - [   0.0009264800000000, -0.0019253900000000,  0.0001822600000000 ]  - [   0.0010832000000000,  0.0000771600000000,  0.0002883700000000 ]  - [  -0.0008636400000000, -0.0000907600000000, -0.0003837700000000 ]  - [  -0.0003427500000000,  0.0005304200000000, -0.0004094300000000 ]  - [   0.0002169100000000, -0.0003977900000000,  0.0003945400000000 ]  - [   0.0004989500000000,  0.0006695000000000, -0.0002684900000000 ]  - [  -0.0003675800000000, -0.0006794800000000,  0.0003084900000000 ]  - [   0.0006628100000000,  0.0025811000000000, -0.0036320500000000 ]  - [  -0.0028093600000000, -0.0005916100000000,  0.0024291900000000 ]  - [  -0.0007741200000000, -0.0002715400000000,  0.0004041600000000 ]  - [   0.0001790200000000,  0.0010933200000000, -0.0016689000000000 ]  - [  -0.0004060500000000, -0.0004120200000000, -0.0003658000000000 ]  - [   0.0003771700000000,  0.0006410100000000,  0.0001055000000000 ]  - [   0.0009143900000000, -0.0018995400000000, -0.0001701700000000 ]  - [  -0.0002491300000000,  0.0005754000000000,  0.0002539400000000 ]  - [  -0.0032904200000000,  0.0020205100000000,  0.0001265900000000 ]  - [   0.0037968800000000, -0.0002910800000000,  0.0015868800000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.0178420700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006924800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006933300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004042100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0029611300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004944300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001675700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001676300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0029230800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001614300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004869900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001623200000000 ]  - [  -0.0033400700000000,  0.0018649800000000, -0.0097503900000000 ]  - [   0.0007540100000000,  0.0013030600000000, -0.0021425700000000 ]  - [  -0.0007540100000000, -0.0013030600000000, -0.0021425700000000 ]  - [   0.0033400700000000, -0.0018649800000000, -0.0097503900000000 ]  - [   0.0000574100000000,  0.0025753100000000,  0.0022954800000000 ]  - [   0.0002934700000000,  0.0009342900000000,  0.0010449500000000 ]  - [  -0.0000574100000000, -0.0025753100000000,  0.0022954800000000 ]  - [  -0.0002934700000000, -0.0009342900000000,  0.0010449500000000 ]  - [  -0.0021838700000000, -0.0013262500000000,  0.0022867100000000 ]  - [   0.0021838700000000,  0.0013262500000000,  0.0022867100000000 ]  - [  -0.0006632200000000, -0.0007239400000000,  0.0010494400000000 ]  - [   0.0006632200000000,  0.0007239400000000,  0.0010494400000000 ]  - [   0.0044922800000000, -0.0061161600000000,  0.0021154100000000 ]  - [  -0.0003305700000000, -0.0002767600000000, -0.0009353600000000 ]  - [  -0.0044922800000000,  0.0061161600000000,  0.0021154100000000 ]  - [   0.0003305700000000,  0.0002767600000000, -0.0009353600000000 ]  - [   0.0075742200000000, -0.0007787300000000,  0.0020582200000000 ]  - [  -0.0075742200000000,  0.0007787300000000,  0.0020582200000000 ]  - [   0.0000782600000000,  0.0004261300000000, -0.0009477100000000 ]  - [  -0.0000782600000000, -0.0004261300000000, -0.0009477100000000 ]  - [   0.0005202100000000, -0.0002920700000000,  0.0022968600000000 ]  - [  -0.0001385800000000, -0.0002320700000000,  0.0018355000000000 ]  - [   0.0001385800000000,  0.0002320700000000,  0.0018355000000000 ]  - [  -0.0005202100000000,  0.0002920700000000,  0.0022968600000000 ]  - [  -0.0013482000000000, -0.0007158800000000, -0.0010836800000000 ]  - [   0.0023048300000000, -0.0015130300000000, -0.0026213400000000 ]  - [   0.0000440500000000,  0.0002109000000000,  0.0000477000000000 ]  - [   0.0001213800000000,  0.0008328300000000,  0.0001096200000000 ]  - [   0.0001733200000000, -0.0001061800000000, -0.0008061800000000 ]  - [   0.0000147100000000, -0.0004056700000000, -0.0008324800000000 ]  - [   0.0006319000000000, -0.0003172900000000, -0.0011036800000000 ]  - [  -0.0001088500000000, -0.0009639700000000, -0.0016465400000000 ]  - [  -0.0000660500000000,  0.0015076500000000, -0.0010935400000000 ]  - [  -0.0001638700000000, -0.0001639000000000,  0.0000497000000000 ]  - [   0.0024377300000000, -0.0012309100000000, -0.0026050100000000 ]  - [  -0.0006600800000000, -0.0005391800000000,  0.0001130900000000 ]  - [   0.0001088500000000,  0.0009639700000000, -0.0016465400000000 ]  - [  -0.0006319000000000,  0.0003172900000000, -0.0011036800000000 ]  - [  -0.0000147100000000,  0.0004056700000000, -0.0008324800000000 ]  - [  -0.0001733200000000,  0.0001061800000000, -0.0008061800000000 ]  - [   0.0001520100000000, -0.0001077600000000, -0.0007982900000000 ]  - [   0.0005730100000000, -0.0003989200000000, -0.0011031800000000 ]  - [   0.0003348700000000,  0.0001847200000000, -0.0008262000000000 ]  - [   0.0007606800000000,  0.0005766200000000, -0.0016474300000000 ]  - [   0.0005226700000000, -0.0002279500000000,  0.0013830900000000 ]  - [  -0.0021402900000000,  0.0005736900000000,  0.0013704700000000 ]  - [  -0.0001308300000000,  0.0003086800000000,  0.0008128000000000 ]  - [  -0.0007032700000000, -0.0002553900000000,  0.0067060600000000 ]  - [   0.0007032700000000,  0.0002553900000000,  0.0067060600000000 ]  - [   0.0001308300000000, -0.0003086800000000,  0.0008128000000000 ]  - [   0.0021402900000000, -0.0005736900000000,  0.0013704700000000 ]  - [  -0.0005226700000000,  0.0002279500000000,  0.0013830900000000 ]  - [   0.0003270700000000, -0.0006862700000000,  0.0068205600000000 ]  - [   0.0015846900000000, -0.0015784300000000,  0.0013833700000000 ]  - [   0.0003547100000000,  0.0000207700000000,  0.0008240800000000 ]  - [  -0.0004402900000000,  0.0003120200000000,  0.0013942300000000 ]  - [  -0.0007606800000000, -0.0005766200000000, -0.0016474300000000 ]  - [  -0.0003348700000000, -0.0001847200000000, -0.0008262000000000 ]  - [  -0.0005730100000000,  0.0003989200000000, -0.0011031800000000 ]  - [  -0.0001520100000000,  0.0001077600000000, -0.0007982900000000 ]  - [  -0.0001213800000000, -0.0008328300000000,  0.0001096200000000 ]  - [  -0.0000440500000000, -0.0002109000000000,  0.0000477000000000 ]  - [  -0.0023048300000000,  0.0015130300000000, -0.0026213400000000 ]  - [   0.0013482000000000,  0.0007158800000000, -0.0010836800000000 ]  - [   0.0006600800000000,  0.0005391800000000,  0.0001130900000000 ]  - [  -0.0024377300000000,  0.0012309100000000, -0.0026050100000000 ]  - [   0.0001638700000000,  0.0001639000000000,  0.0000497000000000 ]  - [   0.0000660500000000, -0.0015076500000000, -0.0010935400000000 ]  - [   0.0004402900000000, -0.0003120200000000,  0.0013942300000000 ]  - [  -0.0003547100000000, -0.0000207700000000,  0.0008240800000000 ]  - [  -0.0015846900000000,  0.0015784300000000,  0.0013833700000000 ]  - [  -0.0003270700000000,  0.0006862700000000,  0.0068205600000000 ]- atom:   13  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0016276900000000,  0.0150531300000000, -0.0033220800000000 ]  - [   0.0022038100000000, -0.0019788400000000,  0.0007510700000000 ]  - [   0.0022004500000000, -0.0019624700000000, -0.0007519800000000 ]  - [  -0.0016839100000000,  0.0151351200000000,  0.0033039000000000 ]  - [  -0.0012310100000000,  0.0006509000000000,  0.0000610300000000 ]  - [   0.0010999900000000, -0.0005857100000000,  0.0003011800000000 ]  - [   0.0011018300000000, -0.0005846900000000, -0.0002902200000000 ]  - [  -0.0012406300000000,  0.0006530100000000, -0.0000541500000000 ]  - [  -0.0014947600000000,  0.0018670600000000,  0.0022477900000000 ]  - [   0.0018065900000000, -0.0011112000000000, -0.0009613900000000 ]  - [   0.0018033500000000, -0.0011066600000000,  0.0009504900000000 ]  - [  -0.0014984600000000,  0.0018650400000000, -0.0022537700000000 ]  - [  -0.3152898000000000, -0.0312748700000000,  0.0048082200000000 ]  - [   0.0126608700000000,  0.0015346000000000,  0.0000067800000000 ]  - [   0.0011654600000000, -0.0051025200000000,  0.0000011400000000 ]  - [   0.0000981300000000,  0.0047371900000000, -0.0000065800000000 ]  - [   0.0008306000000000,  0.0007692300000000, -0.0034568600000000 ]  - [   0.0008212800000000,  0.0007584200000000,  0.0034752400000000 ]  - [  -0.0002360400000000, -0.0009411400000000,  0.0011647700000000 ]  - [  -0.0002403400000000, -0.0009581700000000, -0.0011656300000000 ]  - [  -0.0050389600000000, -0.0041447400000000, -0.0036841500000000 ]  - [   0.0043040600000000,  0.0035710500000000,  0.0030572500000000 ]  - [  -0.0050188700000000, -0.0041392000000000,  0.0036831600000000 ]  - [   0.0043019700000000,  0.0035717800000000, -0.0030590800000000 ]  - [   0.0332158900000000, -0.0048100600000000,  0.0225901500000000 ]  - [   0.0333323700000000, -0.0047020800000000, -0.0227927700000000 ]  - [  -0.0007159600000000,  0.0004114900000000,  0.0011249300000000 ]  - [  -0.0007201800000000,  0.0003991400000000, -0.0011302400000000 ]  - [   0.0043745200000000, -0.0112609900000000,  0.0081554800000000 ]  - [   0.0035752400000000,  0.0013741800000000, -0.0005673100000000 ]  - [   0.0044682100000000, -0.0112455100000000, -0.0081552200000000 ]  - [   0.0035857200000000,  0.0013948000000000,  0.0005760800000000 ]  - [  -0.0032755500000000,  0.0004655900000000,  0.0000034900000000 ]  - [   0.0031021100000000, -0.0008854600000000,  0.0000035800000000 ]  - [   0.0012020800000000, -0.0023743700000000,  0.0000009000000000 ]  - [  -0.0012017200000000,  0.0023405600000000,  0.0000018300000000 ]  - [  -0.0011500700000000,  0.0012024700000000, -0.0024610700000000 ]  - [  -0.0011871700000000, -0.0012778100000000,  0.0014192100000000 ]  - [   0.0008401300000000,  0.0027704900000000,  0.0029060000000000 ]  - [  -0.0010679800000000, -0.0001337600000000, -0.0004546800000000 ]  - [   0.0025486300000000, -0.0002304600000000, -0.0004543500000000 ]  - [  -0.0024141800000000,  0.0003762500000000,  0.0008920900000000 ]  - [  -0.0001354900000000,  0.0022535800000000,  0.0014112800000000 ]  - [   0.0002106600000000, -0.0021950500000000, -0.0014189500000000 ]  - [  -0.0029150000000000,  0.0075013200000000, -0.0082942500000000 ]  - [  -0.0076314100000000, -0.0059177800000000,  0.0087311500000000 ]  - [   0.0022139900000000,  0.0002528100000000, -0.0002956300000000 ]  - [  -0.0015712400000000, -0.0009280900000000,  0.0003911500000000 ]  - [   0.0025414900000000, -0.0002050100000000,  0.0004469200000000 ]  - [  -0.0024301600000000,  0.0003971000000000, -0.0008975800000000 ]  - [  -0.0001463400000000,  0.0022734700000000, -0.0014125100000000 ]  - [   0.0002015100000000, -0.0021728400000000,  0.0014129700000000 ]  - [   0.0015973900000000, -0.0003612300000000, -0.0008670400000000 ]  - [  -0.0016861600000000,  0.0000762600000000,  0.0008342200000000 ]  - [  -0.0007371100000000,  0.0008559600000000,  0.0003614400000000 ]  - [   0.0007856100000000, -0.0004159500000000, -0.0004221800000000 ]  - [   0.1180228200000000,  0.0330935200000000, -0.0649303800000000 ]  - [  -0.0130667600000000,  0.0020512600000000,  0.0013128600000000 ]  - [  -0.0003492600000000,  0.0013909000000000,  0.0001088400000000 ]  - [   0.0007333900000000, -0.0023593300000000, -0.0001284600000000 ]  - [   0.1126084900000000,  0.0310284300000000,  0.0606646800000000 ]  - [  -0.0131144100000000,  0.0020497200000000, -0.0012957000000000 ]  - [  -0.0003759300000000,  0.0013926100000000, -0.0001144800000000 ]  - [   0.0007175300000000, -0.0023536300000000,  0.0001289500000000 ]  - [   0.0245793300000000, -0.0209269200000000,  0.0152876100000000 ]  - [  -0.0035647400000000,  0.0001322400000000, -0.0006513700000000 ]  - [  -0.0008429400000000,  0.0030915700000000,  0.0001302500000000 ]  - [  -0.0010360700000000, -0.0028780100000000, -0.0008422500000000 ]  - [   0.0016132300000000, -0.0003609100000000,  0.0008678400000000 ]  - [  -0.0016616400000000,  0.0000839400000000, -0.0008354300000000 ]  - [  -0.0007148100000000,  0.0008562800000000, -0.0003572500000000 ]  - [   0.0008162900000000, -0.0004042600000000,  0.0004271900000000 ]  - [  -0.0011611000000000,  0.0012050000000000,  0.0024558100000000 ]  - [  -0.0011694000000000, -0.0012644700000000, -0.0014459900000000 ]  - [   0.0008550200000000,  0.0027550200000000, -0.0028764200000000 ]  - [  -0.0010435700000000, -0.0001050400000000,  0.0004413300000000 ]  - [  -0.0029077800000000,  0.0075320100000000,  0.0083289900000000 ]  - [  -0.0076613000000000, -0.0059148100000000, -0.0087680500000000 ]  - [   0.0022174000000000,  0.0002867200000000,  0.0003011400000000 ]  - [  -0.0015650800000000, -0.0009071700000000, -0.0003835500000000 ]  - [   0.0249353100000000, -0.0213961100000000, -0.0156422000000000 ]  - [  -0.0035852400000000,  0.0001456300000000,  0.0006506000000000 ]  - [  -0.0008305200000000,  0.0031105000000000, -0.0001298600000000 ]  - [  -0.0010559900000000, -0.0028400000000000,  0.0008500600000000 ]- atom:   13  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0035931600000000,  0.0021254600000000, -0.0097510200000000 ]  - [   0.0010130600000000,  0.0017610300000000, -0.0021428200000000 ]  - [  -0.0010130600000000, -0.0017610300000000, -0.0021428200000000 ]  - [   0.0035931600000000, -0.0021254600000000, -0.0097510200000000 ]  - [  -0.0012837400000000, -0.0009189800000000,  0.0022953900000000 ]  - [   0.0011067600000000, -0.0002032600000000,  0.0010511900000000 ]  - [  -0.0011067600000000,  0.0002032600000000,  0.0010511900000000 ]  - [   0.0012837400000000,  0.0009189800000000,  0.0022953900000000 ]  - [   0.0001429800000000,  0.0015624900000000,  0.0022870400000000 ]  - [  -0.0007260600000000,  0.0008548500000000,  0.0010441600000000 ]  - [   0.0007260600000000, -0.0008548500000000,  0.0010441600000000 ]  - [  -0.0001429800000000, -0.0015624900000000,  0.0022870400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.2562081500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0064444000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0064286200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0025840600000000 ]  - [  -0.0034823800000000, -0.0022504700000000,  0.0052229400000000 ]  - [   0.0034823800000000,  0.0022504700000000,  0.0052229400000000 ]  - [  -0.0011656600000000, -0.0028556300000000,  0.0031520900000000 ]  - [   0.0011656600000000,  0.0028556300000000,  0.0031520900000000 ]  - [   0.0002276700000000,  0.0041138100000000,  0.0052175200000000 ]  - [   0.0018925300000000,  0.0024380000000000,  0.0031589600000000 ]  - [  -0.0002276700000000, -0.0041138100000000,  0.0052175200000000 ]  - [  -0.0018925300000000, -0.0024380000000000,  0.0031589600000000 ]  - [   0.0218020600000000, -0.0030697200000000,  0.0141563600000000 ]  - [  -0.0218020600000000,  0.0030697200000000,  0.0141563600000000 ]  - [  -0.0009483200000000,  0.0014587400000000, -0.0041873200000000 ]  - [   0.0009483200000000, -0.0014587400000000, -0.0041873200000000 ]  - [   0.0135824000000000, -0.0174737000000000,  0.0140800800000000 ]  - [  -0.0017476900000000,  0.0000849600000000, -0.0042168000000000 ]  - [  -0.0135824000000000,  0.0174737000000000,  0.0140800800000000 ]  - [   0.0017476900000000, -0.0000849600000000, -0.0042168000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0090253600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0045581300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0045523300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0037835500000000 ]  - [  -0.0052232800000000,  0.0003908600000000, -0.0049488700000000 ]  - [   0.0027415300000000,  0.0014190300000000,  0.0001871700000000 ]  - [  -0.0009671400000000, -0.0048192100000000, -0.0050784400000000 ]  - [   0.0003774900000000,  0.0007448800000000,  0.0004012300000000 ]  - [   0.0003863300000000, -0.0006539400000000, -0.0044252700000000 ]  - [   0.0006027400000000, -0.0005434300000000, -0.0023335900000000 ]  - [   0.0004660400000000, -0.0016453300000000, -0.0025181800000000 ]  - [   0.0001072200000000, -0.0014242200000000, -0.0021505800000000 ]  - [  -0.0029204400000000,  0.0043157200000000, -0.0049544600000000 ]  - [   0.0036972300000000,  0.0032431900000000, -0.0051184800000000 ]  - [   0.0001462600000000, -0.0030840200000000,  0.0001865900000000 ]  - [  -0.0004540700000000, -0.0007242700000000,  0.0004029700000000 ]  - [  -0.0003863300000000,  0.0006539400000000, -0.0044252700000000 ]  - [  -0.0006027400000000,  0.0005434300000000, -0.0023335900000000 ]  - [  -0.0004660400000000,  0.0016453300000000, -0.0025181800000000 ]  - [  -0.0001072200000000,  0.0014242200000000, -0.0021505800000000 ]  - [   0.0007284700000000, -0.0000197100000000, -0.0044284700000000 ]  - [   0.0016440100000000,  0.0004039400000000, -0.0025142000000000 ]  - [   0.0007533600000000, -0.0002573400000000, -0.0023228200000000 ]  - [   0.0012670000000000,  0.0006029400000000, -0.0021384400000000 ]  - [  -0.0627367100000000, -0.0187952100000000,  0.0594439200000000 ]  - [  -0.0073420300000000,  0.0030690800000000,  0.0025515400000000 ]  - [  -0.0018030800000000, -0.0003010900000000,  0.0030793800000000 ]  - [   0.0002263800000000, -0.0004130900000000,  0.0021890200000000 ]  - [   0.0627367100000000,  0.0187952100000000,  0.0594439200000000 ]  - [   0.0073420300000000, -0.0030690800000000,  0.0025515400000000 ]  - [   0.0018030800000000,  0.0003010900000000,  0.0030793800000000 ]  - [  -0.0002263800000000,  0.0004130900000000,  0.0021890200000000 ]  - [   0.0156259400000000, -0.0661053200000000,  0.0601213100000000 ]  - [   0.0006703900000000, -0.0017279800000000,  0.0030994400000000 ]  - [   0.0063304200000000, -0.0048218300000000,  0.0025685400000000 ]  - [  -0.0004463200000000, -0.0000221600000000,  0.0022058400000000 ]  - [  -0.0007284700000000,  0.0000197100000000, -0.0044284700000000 ]  - [  -0.0016440100000000, -0.0004039400000000, -0.0025142000000000 ]  - [  -0.0007533600000000,  0.0002573400000000, -0.0023228200000000 ]  - [  -0.0012670000000000, -0.0006029400000000, -0.0021384400000000 ]  - [   0.0052232800000000, -0.0003908600000000, -0.0049488700000000 ]  - [  -0.0027415300000000, -0.0014190300000000,  0.0001871700000000 ]  - [   0.0009671400000000,  0.0048192100000000, -0.0050784400000000 ]  - [  -0.0003774900000000, -0.0007448800000000,  0.0004012300000000 ]  - [   0.0029204400000000, -0.0043157200000000, -0.0049544600000000 ]  - [  -0.0036972300000000, -0.0032431900000000, -0.0051184800000000 ]  - [  -0.0001462600000000,  0.0030840200000000,  0.0001865900000000 ]  - [   0.0004540700000000,  0.0007242700000000,  0.0004029700000000 ]  - [  -0.0156259400000000,  0.0661053200000000,  0.0601213100000000 ]  - [  -0.0006703900000000,  0.0017279800000000,  0.0030994400000000 ]  - [  -0.0063304200000000,  0.0048218300000000,  0.0025685400000000 ]  - [   0.0004463200000000,  0.0000221600000000,  0.0022058400000000 ]- atom:   25  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0016144300000000, -0.0104722100000000,  0.0044874200000000 ]  - [   0.0022388000000000,  0.0019562600000000, -0.0003276500000000 ]  - [  -0.0016055100000000, -0.0104632900000000, -0.0044681600000000 ]  - [   0.0022405800000000,  0.0019688500000000,  0.0003339700000000 ]  - [  -0.0008692500000000, -0.0004718000000000,  0.0005185600000000 ]  - [   0.0009159400000000,  0.0004129400000000, -0.0001329700000000 ]  - [  -0.0008662200000000, -0.0004709300000000, -0.0005131700000000 ]  - [   0.0009156600000000,  0.0004141100000000,  0.0001401700000000 ]  - [  -0.0037309600000000, -0.0035313500000000, -0.0030961300000000 ]  - [   0.0016448200000000,  0.0008591300000000,  0.0004012300000000 ]  - [  -0.0037070200000000, -0.0035051100000000,  0.0030694300000000 ]  - [   0.0016451400000000,  0.0008688600000000, -0.0004132600000000 ]  - [   0.0333310800000000,  0.0053616600000000,  0.0219914700000000 ]  - [   0.0332156300000000,  0.0054445800000000, -0.0217371100000000 ]  - [  -0.0007174800000000, -0.0011053700000000, -0.0009505500000000 ]  - [  -0.0007177800000000, -0.0010882200000000,  0.0009500200000000 ]  - [  -0.0032764900000000, -0.0004643000000000, -0.0000049400000000 ]  - [   0.0031025600000000,  0.0012765400000000, -0.0000032400000000 ]  - [  -0.0012007200000000, -0.0023410700000000, -0.0000005800000000 ]  - [   0.0012048600000000,  0.0019834200000000,  0.0000002300000000 ]  - [   0.0029814400000000, -0.0017435200000000, -0.0007985200000000 ]  - [   0.0050165700000000,  0.0115501200000000,  0.0082739100000000 ]  - [   0.0049494000000000,  0.0116019400000000, -0.0083082600000000 ]  - [   0.0029809000000000, -0.0017175600000000,  0.0007902000000000 ]  - [  -0.4404012300000000,  0.0370597900000000, -0.0071451900000000 ]  - [   0.0158814700000000, -0.0023461300000000, -0.0000207300000000 ]  - [   0.0014470200000000, -0.0063743100000000,  0.0000091600000000 ]  - [   0.0010256200000000,  0.0062313200000000,  0.0000012400000000 ]  - [   0.0060327800000000, -0.0050454600000000,  0.0046889800000000 ]  - [  -0.0077146900000000,  0.0058851700000000, -0.0047679300000000 ]  - [  -0.0077524200000000,  0.0058903300000000,  0.0047671700000000 ]  - [   0.0060413800000000, -0.0050452600000000, -0.0046911200000000 ]  - [   0.0006522700000000, -0.0010396700000000, -0.0042384900000000 ]  - [   0.0006704600000000, -0.0010430700000000,  0.0042153000000000 ]  - [  -0.0003732300000000,  0.0013324200000000, -0.0014877600000000 ]  - [  -0.0003762000000000,  0.0013541900000000,  0.0014958100000000 ]  - [  -0.0027890800000000, -0.0003496000000000, -0.0015402400000000 ]  - [   0.0029566300000000,  0.0000171200000000,  0.0007176500000000 ]  - [   0.0000831700000000, -0.0024222100000000, -0.0017593900000000 ]  - [   0.0002008900000000,  0.0023873400000000,  0.0018419200000000 ]  - [  -0.0010700900000000, -0.0006972500000000,  0.0027343500000000 ]  - [  -0.0009873000000000,  0.0010727700000000, -0.0020378600000000 ]  - [  -0.0007185700000000, -0.0002427400000000,  0.0001534200000000 ]  - [   0.0005403300000000, -0.0027984700000000, -0.0023442500000000 ]  - [   0.0432073200000000,  0.0229685300000000, -0.0151468900000000 ]  - [  -0.0039564600000000, -0.0003319400000000,  0.0005531800000000 ]  - [  -0.0005079900000000,  0.0036506500000000,  0.0003360600000000 ]  - [  -0.0011061100000000, -0.0038028700000000,  0.0002469700000000 ]  - [  -0.0009940000000000,  0.0011033800000000,  0.0020536300000000 ]  - [  -0.0011041800000000, -0.0006657800000000, -0.0027262400000000 ]  - [   0.0005338900000000, -0.0027401100000000,  0.0023076800000000 ]  - [  -0.0007219500000000, -0.0002341800000000, -0.0001526600000000 ]  - [  -0.0017042800000000, -0.0002226000000000,  0.0010529900000000 ]  - [   0.0015379800000000,  0.0004818700000000, -0.0008626200000000 ]  - [  -0.0006903800000000, -0.0008560900000000,  0.0004947800000000 ]  - [   0.0008003100000000,  0.0004077900000000, -0.0005637000000000 ]  - [  -0.0134953300000000, -0.0010042800000000,  0.0016737900000000 ]  - [   0.1567930500000000, -0.0396296200000000, -0.0874426300000000 ]  - [  -0.0003948800000000, -0.0015082000000000, -0.0000731900000000 ]  - [   0.0000927600000000,  0.0033682900000000,  0.0006085700000000 ]  - [   0.1634308000000000, -0.0426799200000000,  0.0936747800000000 ]  - [  -0.0134927100000000, -0.0010012900000000, -0.0016943600000000 ]  - [   0.0000629300000000,  0.0033763800000000, -0.0006152500000000 ]  - [  -0.0004270300000000, -0.0015051500000000,  0.0000651900000000 ]  - [  -0.0088718500000000,  0.0059833400000000, -0.0084102000000000 ]  - [  -0.0013603100000000, -0.0087957000000000,  0.0084106700000000 ]  - [   0.0037338300000000, -0.0001417400000000,  0.0011411600000000 ]  - [  -0.0024692300000000,  0.0017340700000000, -0.0006902100000000 ]  - [   0.0015733900000000,  0.0004880600000000,  0.0008708500000000 ]  - [  -0.0016807800000000, -0.0002154900000000, -0.0010429600000000 ]  - [   0.0008236600000000,  0.0004201900000000,  0.0005686500000000 ]  - [  -0.0006710800000000, -0.0008561800000000, -0.0004943100000000 ]  - [   0.0029870800000000,  0.0000391300000000, -0.0007237700000000 ]  - [  -0.0027778300000000, -0.0003367700000000,  0.0015380200000000 ]  - [   0.0002231900000000,  0.0024037700000000, -0.0018485000000000 ]  - [   0.0000966600000000, -0.0024026800000000,  0.0017507000000000 ]  - [  -0.0039498700000000, -0.0002938500000000, -0.0005337800000000 ]  - [   0.0437236300000000,  0.0238907200000000,  0.0158703100000000 ]  - [  -0.0010830600000000, -0.0037800400000000, -0.0002371600000000 ]  - [  -0.0005090100000000,  0.0036656700000000, -0.0003322200000000 ]  - [  -0.0013628600000000, -0.0087783100000000, -0.0084354300000000 ]  - [  -0.0089393000000000,  0.0060208900000000,  0.0084437600000000 ]  - [  -0.0024793100000000,  0.0017574700000000,  0.0006936900000000 ]  - [   0.0037026200000000, -0.0001273300000000, -0.0011234600000000 ]- atom:   25  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0016466800000000, -0.0090692500000000,  0.0020753100000000 ]  - [  -0.0006194800000000, -0.0019840100000000, -0.0009488600000000 ]  - [  -0.0016466800000000,  0.0090692500000000,  0.0020753100000000 ]  - [   0.0006194800000000,  0.0019840100000000, -0.0009488600000000 ]  - [   0.0001035600000000,  0.0000538600000000,  0.0023036500000000 ]  - [   0.0000168500000000, -0.0000329900000000,  0.0018425100000000 ]  - [  -0.0001035600000000, -0.0000538600000000,  0.0023036500000000 ]  - [  -0.0000168500000000,  0.0000329900000000,  0.0018425100000000 ]  - [  -0.0070145700000000,  0.0059158400000000,  0.0020948200000000 ]  - [   0.0020248700000000, -0.0004577800000000, -0.0009405100000000 ]  - [   0.0070145700000000, -0.0059158400000000,  0.0020948200000000 ]  - [  -0.0020248700000000,  0.0004577800000000, -0.0009405100000000 ]  - [   0.0227787200000000,  0.0036670400000000,  0.0141045800000000 ]  - [  -0.0227787200000000, -0.0036670400000000,  0.0141045800000000 ]  - [   0.0011243500000000,  0.0013137200000000, -0.0042151700000000 ]  - [  -0.0011243500000000, -0.0013137200000000, -0.0042151700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0090225200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0045499100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0037859200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0045587200000000 ]  - [  -0.0017001300000000, -0.0003260400000000, -0.0041861500000000 ]  - [   0.0145073500000000,  0.0177267300000000,  0.0141359900000000 ]  - [  -0.0145073500000000, -0.0177267300000000,  0.0141359900000000 ]  - [   0.0017001300000000,  0.0003260400000000, -0.0041861500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.4500534400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0098577200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0045019000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0098729500000000 ]  - [   0.0031971400000000, -0.0035684300000000,  0.0052893900000000 ]  - [   0.0005331500000000, -0.0052095700000000,  0.0076963700000000 ]  - [  -0.0005331500000000,  0.0052095700000000,  0.0076963700000000 ]  - [  -0.0031971400000000,  0.0035684300000000,  0.0052893900000000 ]  - [  -0.0042100000000000,  0.0030610100000000,  0.0076930700000000 ]  - [   0.0042100000000000, -0.0030610100000000,  0.0076930700000000 ]  - [   0.0014918400000000, -0.0045556500000000,  0.0053014800000000 ]  - [  -0.0014918400000000,  0.0045556500000000,  0.0053014800000000 ]  - [  -0.0012298600000000, -0.0004777600000000, -0.0029269600000000 ]  - [  -0.0008171800000000, -0.0000918900000000, -0.0047925400000000 ]  - [  -0.0010699500000000, -0.0021150100000000, -0.0035018600000000 ]  - [  -0.0004038300000000, -0.0017665000000000, -0.0028748000000000 ]  - [   0.0063154400000000, -0.0008183900000000, -0.0056858800000000 ]  - [  -0.0035323400000000,  0.0013938600000000, -0.0007057100000000 ]  - [  -0.0005683500000000,  0.0013314900000000,  0.0000506700000000 ]  - [   0.0008440700000000, -0.0067687100000000, -0.0064076500000000 ]  - [  -0.0173864000000000, -0.0936890600000000,  0.1028521000000000 ]  - [  -0.0003409700000000, -0.0022898800000000,  0.0041638300000000 ]  - [   0.0010097000000000, -0.0005523300000000,  0.0029663700000000 ]  - [  -0.0054619500000000, -0.0047121000000000,  0.0028992500000000 ]  - [   0.0035323400000000, -0.0013938600000000, -0.0007057100000000 ]  - [  -0.0063154400000000,  0.0008183900000000, -0.0056858800000000 ]  - [  -0.0008440700000000,  0.0067687100000000, -0.0064076500000000 ]  - [   0.0005683500000000, -0.0013314900000000,  0.0000506700000000 ]  - [   0.0023290400000000, -0.0001355900000000, -0.0034927700000000 ]  - [   0.0004737000000000,  0.0006566700000000, -0.0047827000000000 ]  - [   0.0010056600000000,  0.0008262400000000, -0.0029299100000000 ]  - [   0.0017042700000000, -0.0005351500000000, -0.0028748100000000 ]  - [  -0.0067616600000000, -0.0023615300000000,  0.0029016000000000 ]  - [  -0.0938373700000000,  0.0333187600000000,  0.1046004100000000 ]  - [  -0.0021247000000000,  0.0008490200000000,  0.0041702200000000 ]  - [   0.0000528100000000,  0.0011416700000000,  0.0029739200000000 ]  - [   0.0938373700000000, -0.0333187600000000,  0.1046004100000000 ]  - [   0.0067616600000000,  0.0023615300000000,  0.0029016000000000 ]  - [  -0.0000528100000000, -0.0011416700000000,  0.0029739200000000 ]  - [   0.0021247000000000, -0.0008490200000000,  0.0041702200000000 ]  - [  -0.0054183600000000,  0.0040828500000000, -0.0063647100000000 ]  - [   0.0024916200000000,  0.0058582900000000, -0.0056739800000000 ]  - [  -0.0005374100000000, -0.0038087200000000, -0.0006879400000000 ]  - [   0.0008820400000000, -0.0011843900000000,  0.0000618200000000 ]  - [  -0.0004737000000000, -0.0006566700000000, -0.0047827000000000 ]  - [  -0.0023290400000000,  0.0001355900000000, -0.0034927700000000 ]  - [  -0.0017042700000000,  0.0005351500000000, -0.0028748100000000 ]  - [  -0.0010056600000000, -0.0008262400000000, -0.0029299100000000 ]  - [   0.0008171800000000,  0.0000918900000000, -0.0047925400000000 ]  - [   0.0012298600000000,  0.0004777600000000, -0.0029269600000000 ]  - [   0.0004038300000000,  0.0017665000000000, -0.0028748000000000 ]  - [   0.0010699500000000,  0.0021150100000000, -0.0035018600000000 ]  - [   0.0003409700000000,  0.0022898800000000,  0.0041638300000000 ]  - [   0.0173864000000000,  0.0936890600000000,  0.1028521000000000 ]  - [   0.0054619500000000,  0.0047121000000000,  0.0028992500000000 ]  - [  -0.0010097000000000,  0.0005523300000000,  0.0029663700000000 ]  - [  -0.0024916200000000, -0.0058582900000000, -0.0056739800000000 ]  - [   0.0054183600000000, -0.0040828500000000, -0.0063647100000000 ]  - [  -0.0008820400000000,  0.0011843900000000,  0.0000618200000000 ]  - [   0.0005374100000000,  0.0038087200000000, -0.0006879400000000 ]- atom:   37  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0028132000000000, -0.0012057600000000, -0.0013417400000000 ]  - [   0.0006554800000000,  0.0013599400000000,  0.0023001500000000 ]  - [  -0.0003778200000000, -0.0004124800000000,  0.0000528100000000 ]  - [   0.0004887100000000,  0.0004493200000000,  0.0001294100000000 ]  - [  -0.0032677300000000,  0.0006543400000000,  0.0015742900000000 ]  - [   0.0043140600000000,  0.0033278400000000,  0.0003843000000000 ]  - [  -0.0002403900000000, -0.0008946700000000,  0.0003504100000000 ]  - [   0.0009195000000000,  0.0005520400000000, -0.0004457400000000 ]  - [  -0.0003477100000000, -0.0000847600000000,  0.0000007800000000 ]  - [   0.0003846800000000,  0.0004792500000000, -0.0008905700000000 ]  - [  -0.0004196000000000, -0.0003564100000000, -0.0003390700000000 ]  - [   0.0002203000000000,  0.0001962100000000,  0.0000424500000000 ]  - [  -0.0011609000000000,  0.0085105100000000, -0.0052031000000000 ]  - [  -0.0011761000000000, -0.0016950700000000,  0.0027497600000000 ]  - [   0.0008534100000000, -0.0010316200000000, -0.0009704200000000 ]  - [  -0.0010566400000000, -0.0006165100000000,  0.0003911700000000 ]  - [  -0.0035799000000000,  0.0004564700000000,  0.0006523000000000 ]  - [   0.0246048000000000,  0.0200881800000000,  0.0152735200000000 ]  - [  -0.0008387400000000, -0.0091121000000000,  0.0063185000000000 ]  - [  -0.0010415000000000,  0.0033919000000000, -0.0004658400000000 ]  - [   0.0015737000000000, -0.0003449900000000, -0.0003553300000000 ]  - [  -0.0017430500000000,  0.0010595700000000, -0.0011723600000000 ]  - [  -0.0005049500000000,  0.0007233300000000, -0.0001595300000000 ]  - [   0.0011244400000000, -0.0015337600000000, -0.0011834100000000 ]  - [  -0.0027854300000000,  0.0003535600000000, -0.0012228300000000 ]  - [   0.0029723700000000, -0.0003278400000000, -0.0008104700000000 ]  - [   0.0000836900000000, -0.0012452900000000, -0.0010612100000000 ]  - [   0.0002161900000000,  0.0007610200000000, -0.0004003800000000 ]  - [   0.1157622400000000,  0.0641766600000000,  0.0721644700000000 ]  - [  -0.0063135700000000,  0.0003146700000000,  0.0009734100000000 ]  - [  -0.0006074200000000,  0.0016147200000000,  0.0018068200000000 ]  - [  -0.0031231700000000, -0.0049615400000000,  0.0013264000000000 ]  - [  -0.0013979800000000,  0.0005089800000000,  0.0024870600000000 ]  - [  -0.0088999200000000, -0.0026807400000000, -0.0054210700000000 ]  - [   0.0037182200000000,  0.0016277100000000, -0.0005484300000000 ]  - [  -0.0024714800000000, -0.0007706200000000,  0.0008762900000000 ]  - [  -0.1661408400000000, -0.1171879900000000, -0.1178343100000000 ]  - [   0.0028617500000000,  0.0001965200000000,  0.0002729200000000 ]  - [  -0.0003358600000000, -0.0014572200000000, -0.0008277800000000 ]  - [   0.0015472000000000,  0.0040597500000000,  0.0003717300000000 ]  - [   0.0006056100000000, -0.0007723100000000, -0.0007246600000000 ]  - [   0.0009520900000000,  0.0026500500000000,  0.0025431000000000 ]  - [  -0.0012645000000000, -0.0003124200000000,  0.0005884500000000 ]  - [   0.0010132700000000, -0.0003920700000000, -0.0002804600000000 ]  - [   0.0006786600000000, -0.0003530500000000,  0.0004451500000000 ]  - [  -0.0009103600000000, -0.0000208700000000,  0.0005794300000000 ]  - [  -0.0002536500000000,  0.0003572600000000,  0.0004036400000000 ]  - [   0.0000829700000000, -0.0007210300000000,  0.0005640600000000 ]  - [  -0.0003404100000000,  0.0002222400000000, -0.0007294100000000 ]  - [   0.0023895700000000, -0.0016045000000000,  0.0027133900000000 ]  - [  -0.0003273400000000, -0.0004312400000000,  0.0002552200000000 ]  - [   0.0000160800000000,  0.0005966600000000, -0.0001696000000000 ]  - [  -0.0026901500000000, -0.0045519700000000, -0.0049893000000000 ]  - [   0.0036556800000000,  0.0009193500000000, -0.0005933700000000 ]  - [  -0.0008434200000000, -0.0030283400000000,  0.0017073600000000 ]  - [   0.0026299300000000,  0.0015042000000000, -0.0024795100000000 ]  - [  -0.0020800900000000, -0.0012151400000000,  0.0016843600000000 ]  - [   0.0013900000000000,  0.0001935800000000, -0.0005802600000000 ]  - [  -0.0007293100000000, -0.0001963100000000,  0.0003813900000000 ]  - [   0.0005687300000000,  0.0009488800000000,  0.0005494000000000 ]  - [   0.0029816200000000, -0.0014691900000000,  0.0025575700000000 ]  - [  -0.0011331000000000,  0.0003932500000000, -0.0012525200000000 ]  - [  -0.0000561500000000,  0.0003903000000000,  0.0003220500000000 ]  - [   0.0000390300000000, -0.0001695100000000,  0.0000113800000000 ]  - [   0.0112206600000000, -0.0000323600000000,  0.0170844400000000 ]  - [   0.0031899500000000, -0.0001922500000000, -0.0017128200000000 ]  - [   0.0000225800000000,  0.0000309800000000, -0.0001392300000000 ]  - [   0.0000215800000000,  0.0013163100000000, -0.0009971000000000 ]  - [   0.0016309500000000, -0.0009365100000000, -0.0007630000000000 ]  - [   0.0131073800000000,  0.0102618900000000,  0.0175079300000000 ]  - [  -0.0020939800000000,  0.0012082500000000, -0.0017723200000000 ]  - [   0.0011363500000000, -0.0003238500000000,  0.0005680100000000 ]  - [   0.0008952200000000, -0.0000289600000000, -0.0006258500000000 ]  - [  -0.0012770800000000,  0.0076307900000000, -0.0007469000000000 ]  - [   0.0149858500000000,  0.0220305700000000, -0.0009501800000000 ]  - [   0.0038444900000000, -0.0020746800000000, -0.0009029600000000 ]  - [  -0.0009931200000000,  0.0000159100000000,  0.0004738200000000 ]  - [   0.0011561500000000,  0.0002946000000000,  0.0007863400000000 ]  - [  -0.0000396600000000, -0.0003938400000000,  0.0000589900000000 ]  - [   0.0000592400000000,  0.0009841300000000,  0.0007029900000000 ]  - [   0.0006736100000000, -0.0024296600000000, -0.0004215800000000 ]  - [   0.0006672400000000,  0.0015453700000000, -0.0005374500000000 ]  - [  -0.0088061100000000, -0.0004021800000000, -0.0001844000000000 ]  - [   0.0025670900000000, -0.0003854200000000, -0.0007809500000000 ]- atom:   37  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0028181000000000,  0.0012107400000000,  0.0013477600000000 ]  - [  -0.0006422900000000, -0.0013520900000000, -0.0022935500000000 ]  - [   0.0003777400000000,  0.0004068900000000, -0.0000526300000000 ]  - [  -0.0004902200000000, -0.0004472800000000, -0.0001312200000000 ]  - [   0.0032766600000000, -0.0006613400000000, -0.0015770000000000 ]  - [  -0.0038155700000000, -0.0035981900000000, -0.0000718100000000 ]  - [   0.0002413700000000,  0.0008950300000000, -0.0003427400000000 ]  - [  -0.0009241800000000, -0.0005338000000000,  0.0004507600000000 ]  - [   0.0003454900000000,  0.0000838700000000, -0.0000067100000000 ]  - [  -0.0003823600000000, -0.0004776500000000,  0.0008821100000000 ]  - [   0.0004191200000000,  0.0003559000000000,  0.0003311700000000 ]  - [  -0.0002211700000000, -0.0001921100000000, -0.0000487700000000 ]  - [   0.0011551900000000, -0.0085515400000000,  0.0052172300000000 ]  - [   0.0011815700000000,  0.0016829600000000, -0.0027375400000000 ]  - [  -0.0008396800000000,  0.0009951800000000,  0.0009550700000000 ]  - [   0.0010570400000000,  0.0006298300000000, -0.0003858000000000 ]  - [   0.0035733100000000, -0.0004614900000000, -0.0006635700000000 ]  - [  -0.0249064300000000, -0.0203453300000000, -0.0154266600000000 ]  - [   0.0008369300000000,  0.0091404700000000, -0.0063442500000000 ]  - [   0.0010455200000000, -0.0033727000000000,  0.0004558200000000 ]  - [  -0.0015759100000000,  0.0003398100000000,  0.0003655900000000 ]  - [   0.0017450400000000, -0.0010573600000000,  0.0011731200000000 ]  - [   0.0004937500000000, -0.0007188500000000,  0.0001665400000000 ]  - [  -0.0011180200000000,  0.0015345600000000,  0.0011833300000000 ]  - [   0.0027875700000000, -0.0003550500000000,  0.0012269600000000 ]  - [  -0.0029735000000000,  0.0003305600000000,  0.0008112800000000 ]  - [  -0.0000932800000000,  0.0012489500000000,  0.0010568200000000 ]  - [  -0.0002098100000000, -0.0007591000000000,  0.0003943000000000 ]  - [  -0.1184448700000000, -0.0677638600000000, -0.0760735500000000 ]  - [   0.0062971100000000, -0.0003108300000000, -0.0009691700000000 ]  - [   0.0006059200000000, -0.0016220500000000, -0.0018071800000000 ]  - [   0.0031627000000000,  0.0049853500000000, -0.0013542600000000 ]  - [   0.0013277500000000, -0.0005351100000000, -0.0024522000000000 ]  - [   0.0089141300000000,  0.0026863200000000,  0.0054359400000000 ]  - [  -0.0037217400000000, -0.0016393100000000,  0.0005475900000000 ]  - [   0.0024786200000000,  0.0007785700000000, -0.0008770400000000 ]  - [   0.1688397700000000,  0.1215147100000000,  0.1216206900000000 ]  - [  -0.0028820800000000, -0.0002102700000000, -0.0002784200000000 ]  - [   0.0003204800000000,  0.0014359300000000,  0.0008237000000000 ]  - [  -0.0015833900000000, -0.0041052200000000, -0.0003818300000000 ]  - [  -0.0005787300000000,  0.0007399600000000,  0.0007015500000000 ]  - [  -0.0009441500000000, -0.0026660300000000, -0.0025426800000000 ]  - [   0.0012713700000000,  0.0002967800000000, -0.0005941600000000 ]  - [  -0.0010062100000000,  0.0003699000000000,  0.0002777100000000 ]  - [  -0.0006805400000000,  0.0003306600000000, -0.0004414400000000 ]  - [   0.0009039000000000, -0.0000021500000000, -0.0005749500000000 ]  - [   0.0002508700000000, -0.0003845200000000, -0.0003975400000000 ]  - [  -0.0000903600000000,  0.0006922300000000, -0.0005538800000000 ]  - [   0.0003400000000000, -0.0001847400000000,  0.0007129100000000 ]  - [  -0.0023985500000000,  0.0016207800000000, -0.0027139100000000 ]  - [   0.0003214700000000,  0.0004558400000000, -0.0002586900000000 ]  - [  -0.0000268400000000, -0.0005791300000000,  0.0001663400000000 ]  - [   0.0027340300000000,  0.0045101000000000,  0.0049434000000000 ]  - [  -0.0036789000000000, -0.0009239300000000,  0.0005980500000000 ]  - [   0.0008153700000000,  0.0030275400000000, -0.0017043700000000 ]  - [  -0.0026668200000000, -0.0015165300000000,  0.0024972500000000 ]  - [   0.0021127100000000,  0.0012200400000000, -0.0016916100000000 ]  - [  -0.0013637700000000, -0.0001976200000000,  0.0005706500000000 ]  - [   0.0007493300000000,  0.0001907900000000, -0.0003831200000000 ]  - [  -0.0005443500000000, -0.0009535400000000, -0.0005567100000000 ]  - [  -0.0030161200000000,  0.0014805200000000, -0.0025711900000000 ]  - [   0.0010992700000000, -0.0003889400000000,  0.0012427300000000 ]  - [   0.0000407500000000, -0.0003798700000000, -0.0003174900000000 ]  - [  -0.0000683900000000,  0.0001733900000000, -0.0000174900000000 ]  - [  -0.0113361900000000,  0.0000009000000000, -0.0173297100000000 ]  - [  -0.0031557700000000,  0.0001701200000000,  0.0017050400000000 ]  - [  -0.0000057200000000, -0.0000430900000000,  0.0001450700000000 ]  - [  -0.0000083500000000, -0.0013506300000000,  0.0010102600000000 ]  - [  -0.0015927100000000,  0.0009491500000000,  0.0007762000000000 ]  - [  -0.0130416200000000, -0.0101776300000000, -0.0173529800000000 ]  - [   0.0021269800000000, -0.0012019100000000,  0.0017866300000000 ]  - [  -0.0011131400000000,  0.0003236500000000, -0.0005618900000000 ]  - [  -0.0008700900000000,  0.0000528700000000,  0.0006148200000000 ]  - [   0.0012407000000000, -0.0076557300000000,  0.0007533700000000 ]  - [  -0.0151719600000000, -0.0223444100000000,  0.0009374400000000 ]  - [  -0.0038115900000000,  0.0020749000000000,  0.0008974000000000 ]  - [   0.0009973400000000,  0.0000089700000000, -0.0004687500000000 ]  - [  -0.0011530200000000, -0.0002735500000000, -0.0007835600000000 ]  - [   0.0000431300000000,  0.0004189400000000, -0.0000521700000000 ]  - [  -0.0000550200000000, -0.0009571000000000, -0.0006946500000000 ]  - [  -0.0006888400000000,  0.0024621000000000,  0.0004299900000000 ]  - [  -0.0006935600000000, -0.0015156300000000,  0.0005477400000000 ]  - [   0.0088246700000000,  0.0005385900000000,  0.0002945500000000 ]  - [  -0.0025869900000000,  0.0004028600000000,  0.0007839700000000 ]- atom:   37  displacement:    [  -0.0049999999895404,  0.0086602540438832,  0.0000000000000000 ]  forces:  - [   0.0008764600000000,  0.0009393000000000,  0.0000550400000000 ]  - [   0.0019051800000000,  0.0013115500000000, -0.0024527200000000 ]  - [  -0.0004078800000000, -0.0007101400000000,  0.0001629400000000 ]  - [   0.0003280400000000, -0.0007060900000000,  0.0006634800000000 ]  - [  -0.0001108100000000,  0.0014529900000000,  0.0005838200000000 ]  - [  -0.0016566900000000,  0.0054411700000000,  0.0006384500000000 ]  - [  -0.0003684600000000, -0.0006013000000000, -0.0001945100000000 ]  - [   0.0011968200000000, -0.0029786300000000, -0.0000546600000000 ]  - [   0.0001859100000000,  0.0004167800000000, -0.0001757100000000 ]  - [   0.0000916800000000,  0.0004897500000000,  0.0001087500000000 ]  - [  -0.0000781300000000, -0.0003667600000000, -0.0000153600000000 ]  - [  -0.0000851000000000, -0.0006827400000000, -0.0006375400000000 ]  - [   0.0016173900000000, -0.0023938800000000,  0.0029254900000000 ]  - [  -0.0005082200000000,  0.0022663800000000, -0.0001428500000000 ]  - [   0.0019754200000000, -0.0077068800000000, -0.0037038100000000 ]  - [   0.0004215400000000, -0.0015693400000000,  0.0004566700000000 ]  - [   0.0016683300000000,  0.0002237200000000,  0.0011634600000000 ]  - [   0.0066760300000000,  0.0965765300000000,  0.0497668100000000 ]  - [  -0.0022676000000000, -0.0042270100000000,  0.0010320700000000 ]  - [   0.0029914000000000, -0.0036654600000000,  0.0002445300000000 ]  - [  -0.0014315700000000,  0.0021145600000000, -0.0003884200000000 ]  - [   0.0005487700000000,  0.0005561900000000, -0.0001077500000000 ]  - [   0.0013185100000000, -0.0020366200000000, -0.0006047300000000 ]  - [  -0.0007646300000000, -0.0006046900000000, -0.0004704700000000 ]  - [   0.0010881500000000, -0.0001639200000000,  0.0001982800000000 ]  - [  -0.0014599500000000,  0.0012558600000000,  0.0003202400000000 ]  - [  -0.0021334700000000,  0.0004718600000000, -0.0012983100000000 ]  - [   0.0019693000000000, -0.0010818700000000, -0.0013280500000000 ]  - [   0.0011115200000000,  0.0510926900000000,  0.0179579100000000 ]  - [   0.0034579400000000,  0.0014103300000000, -0.0010028900000000 ]  - [   0.0024461900000000, -0.0031540600000000,  0.0003424600000000 ]  - [  -0.0065372500000000, -0.0050440900000000,  0.0054595300000000 ]  - [   0.0083138600000000,  0.0035421100000000, -0.0063288300000000 ]  - [  -0.0007401600000000,  0.0001913200000000, -0.0008344200000000 ]  - [  -0.0017321700000000, -0.0021468400000000,  0.0035465000000000 ]  - [  -0.0002838700000000, -0.0009942300000000,  0.0005789300000000 ]  - [  -0.0207207000000000, -0.1748029400000000, -0.0966976900000000 ]  - [  -0.0012668600000000, -0.0011560500000000, -0.0006585800000000 ]  - [  -0.0010994600000000,  0.0021363800000000,  0.0000957900000000 ]  - [   0.0027519900000000,  0.0028959800000000,  0.0004730400000000 ]  - [  -0.0025076100000000,  0.0017966500000000,  0.0027785500000000 ]  - [   0.0002880400000000,  0.0000807900000000,  0.0001659100000000 ]  - [   0.0007504100000000, -0.0006946600000000, -0.0013206500000000 ]  - [  -0.0001326000000000, -0.0000703800000000, -0.0000897400000000 ]  - [  -0.0005375700000000,  0.0004616300000000,  0.0001144700000000 ]  - [   0.0005036700000000, -0.0000095400000000,  0.0001553800000000 ]  - [   0.0005042200000000, -0.0007692300000000,  0.0004586700000000 ]  - [  -0.0005910000000000, -0.0002513200000000,  0.0004326100000000 ]  - [  -0.0003058100000000, -0.0022477800000000,  0.0017733900000000 ]  - [   0.0000944200000000, -0.0006694500000000,  0.0003666800000000 ]  - [  -0.0002297100000000,  0.0014110400000000, -0.0009260200000000 ]  - [   0.0002833600000000,  0.0008361400000000,  0.0000457100000000 ]  - [  -0.0069546100000000,  0.0069971200000000,  0.0137571800000000 ]  - [  -0.0000477200000000,  0.0000354600000000, -0.0000147700000000 ]  - [  -0.0012135800000000,  0.0032363600000000, -0.0026334100000000 ]  - [   0.0009795800000000,  0.0006292200000000, -0.0008965100000000 ]  - [   0.0006479500000000, -0.0000303700000000, -0.0011611400000000 ]  - [  -0.0002931100000000, -0.0001588800000000,  0.0001791700000000 ]  - [  -0.0024811200000000,  0.0013224700000000,  0.0022159100000000 ]  - [   0.0005577100000000, -0.0000546100000000, -0.0001599900000000 ]  - [  -0.0012356300000000,  0.0003778300000000, -0.0008564900000000 ]  - [   0.0005027900000000, -0.0011644100000000,  0.0003540800000000 ]  - [   0.0019009600000000,  0.0017894900000000,  0.0020269600000000 ]  - [  -0.0008840800000000,  0.0006658900000000, -0.0002373600000000 ]  - [  -0.0055870300000000, -0.0074139000000000, -0.0086420300000000 ]  - [  -0.0014214900000000, -0.0013725200000000,  0.0008404800000000 ]  - [  -0.0011559200000000,  0.0028857300000000, -0.0005617700000000 ]  - [  -0.0000313800000000,  0.0022392000000000, -0.0019253900000000 ]  - [  -0.0027272800000000, -0.0008523900000000, -0.0002243900000000 ]  - [   0.0028382000000000, -0.0043176600000000,  0.0003246200000000 ]  - [   0.0009949500000000,  0.0013082800000000, -0.0004905800000000 ]  - [  -0.0008765000000000,  0.0014948600000000, -0.0001975700000000 ]  - [  -0.0004668900000000,  0.0008470900000000, -0.0004049900000000 ]  - [   0.0072972800000000,  0.0125010100000000, -0.0018103800000000 ]  - [   0.0117053400000000,  0.0004257400000000, -0.0001092800000000 ]  - [  -0.0036904300000000,  0.0007730500000000,  0.0005261800000000 ]  - [   0.0004275200000000, -0.0008905500000000,  0.0001150900000000 ]  - [  -0.0003896100000000, -0.0002631500000000, -0.0000721200000000 ]  - [  -0.0003893900000000,  0.0011197100000000,  0.0006984500000000 ]  - [   0.0006779800000000,  0.0004688700000000,  0.0005589100000000 ]  - [  -0.0016756800000000,  0.0017109300000000, -0.0001781400000000 ]  - [   0.0017722800000000, -0.0002702500000000, -0.0014406400000000 ]  - [   0.0047632600000000,  0.0177801300000000,  0.0261321300000000 ]  - [  -0.0009515800000000,  0.0003144500000000,  0.0006559400000000 ]- atom:   37  displacement:    [   0.0049999999895404, -0.0086602540438832,  0.0000000000000000 ]  forces:  - [  -0.0008949600000000, -0.0009479400000000, -0.0000650500000000 ]  - [  -0.0018951300000000, -0.0013164900000000,  0.0024489400000000 ]  - [   0.0004067400000000,  0.0007043600000000, -0.0001626300000000 ]  - [  -0.0003269700000000,  0.0007085300000000, -0.0006576500000000 ]  - [   0.0000948300000000, -0.0014444800000000, -0.0005633000000000 ]  - [   0.0020848000000000, -0.0056198100000000, -0.0003649400000000 ]  - [   0.0003710800000000,  0.0005992700000000,  0.0002039600000000 ]  - [  -0.0011928500000000,  0.0029618100000000,  0.0000602700000000 ]  - [  -0.0001786700000000, -0.0004163700000000,  0.0001650000000000 ]  - [  -0.0000930500000000, -0.0004908500000000, -0.0001191200000000 ]  - [   0.0000791000000000,  0.0003654300000000,  0.0000071500000000 ]  - [   0.0000818600000000,  0.0006803300000000,  0.0006244300000000 ]  - [  -0.0016238200000000,  0.0024584800000000, -0.0029432500000000 ]  - [   0.0005148800000000, -0.0022596100000000,  0.0001465300000000 ]  - [  -0.0019620900000000,  0.0076746100000000,  0.0036805700000000 ]  - [  -0.0004285900000000,  0.0015615600000000, -0.0004534900000000 ]  - [  -0.0016665600000000, -0.0002177600000000, -0.0011600600000000 ]  - [  -0.0052510500000000, -0.0937757700000000, -0.0473309400000000 ]  - [   0.0022662700000000,  0.0041668800000000, -0.0009872900000000 ]  - [  -0.0030036300000000,  0.0036732600000000, -0.0002444900000000 ]  - [   0.0014286500000000, -0.0021122600000000,  0.0003796300000000 ]  - [  -0.0005507400000000, -0.0005576600000000,  0.0001057600000000 ]  - [  -0.0013177200000000,  0.0020343200000000,  0.0005967800000000 ]  - [   0.0007647000000000,  0.0006040600000000,  0.0004656600000000 ]  - [  -0.0011007100000000,  0.0001719800000000, -0.0002131800000000 ]  - [   0.0014629800000000, -0.0012543600000000, -0.0003379400000000 ]  - [   0.0021344500000000, -0.0004750900000000,  0.0012852000000000 ]  - [  -0.0019672800000000,  0.0010788700000000,  0.0013182300000000 ]  - [  -0.0007892500000000, -0.0503818800000000, -0.0174824800000000 ]  - [  -0.0034776700000000, -0.0014210500000000,  0.0010182800000000 ]  - [  -0.0024391300000000,  0.0031555200000000, -0.0003285000000000 ]  - [   0.0065021600000000,  0.0050150100000000, -0.0054345300000000 ]  - [  -0.0082677400000000, -0.0035170100000000,  0.0063085100000000 ]  - [   0.0007498800000000, -0.0001893500000000,  0.0008399100000000 ]  - [   0.0017549700000000,  0.0021550200000000, -0.0035540700000000 ]  - [   0.0002652200000000,  0.0009850900000000, -0.0005738200000000 ]  - [   0.0185036200000000,  0.1712880800000000,  0.0935987000000000 ]  - [   0.0012551100000000,  0.0011300000000000,  0.0006471600000000 ]  - [   0.0010787500000000, -0.0021614400000000, -0.0001083700000000 ]  - [  -0.0027515100000000, -0.0028904700000000, -0.0004789400000000 ]  - [   0.0025094300000000, -0.0018134000000000, -0.0027652500000000 ]  - [  -0.0002742600000000, -0.0001050200000000, -0.0001673100000000 ]  - [  -0.0007404200000000,  0.0006732000000000,  0.0013246800000000 ]  - [   0.0001493300000000,  0.0000485800000000,  0.0000874200000000 ]  - [   0.0005245000000000, -0.0004927700000000, -0.0001020000000000 ]  - [  -0.0005181800000000, -0.0000167200000000, -0.0001451700000000 ]  - [  -0.0005175900000000,  0.0007382600000000, -0.0004461700000000 ]  - [   0.0005792100000000,  0.0002252300000000, -0.0004245000000000 ]  - [   0.0002862400000000,  0.0022616400000000, -0.0017685200000000 ]  - [  -0.0001114800000000,  0.0006886900000000, -0.0003647000000000 ]  - [   0.0002088700000000, -0.0013876300000000,  0.0009255400000000 ]  - [  -0.0002956000000000, -0.0008111500000000, -0.0000457000000000 ]  - [   0.0068632600000000, -0.0069109400000000, -0.0135799600000000 ]  - [   0.0000174900000000, -0.0000366000000000,  0.0000161000000000 ]  - [   0.0011956900000000, -0.0032515100000000,  0.0026505600000000 ]  - [  -0.0009934700000000, -0.0006210900000000,  0.0008832800000000 ]  - [  -0.0006257700000000,  0.0000205300000000,  0.0011672200000000 ]  - [   0.0003266900000000,  0.0001524900000000, -0.0001850300000000 ]  - [   0.0025093100000000, -0.0013220800000000, -0.0022146300000000 ]  - [  -0.0005294300000000,  0.0000662800000000,  0.0001632100000000 ]  - [   0.0012242600000000, -0.0003930600000000,  0.0008732200000000 ]  - [  -0.0005396000000000,  0.0011580600000000, -0.0003537400000000 ]  - [  -0.0019297700000000, -0.0017922700000000, -0.0020245100000000 ]  - [   0.0008538500000000, -0.0006627900000000,  0.0002340600000000 ]  - [   0.0056623800000000,  0.0073342400000000,  0.0086815300000000 ]  - [   0.0014358200000000,  0.0013459200000000, -0.0008416400000000 ]  - [   0.0011678300000000, -0.0029056000000000,  0.0005639100000000 ]  - [   0.0000458500000000, -0.0022556900000000,  0.0019185100000000 ]  - [   0.0027385100000000,  0.0008375100000000,  0.0002184500000000 ]  - [  -0.0028198400000000,  0.0042893800000000, -0.0003441800000000 ]  - [  -0.0009826800000000, -0.0012997700000000,  0.0004847800000000 ]  - [   0.0009128800000000, -0.0014868400000000,  0.0002041300000000 ]  - [   0.0004846700000000, -0.0008231300000000,  0.0003931300000000 ]  - [  -0.0072008100000000, -0.0123528100000000,  0.0017939800000000 ]  - [  -0.0116459900000000, -0.0002609200000000,  0.0000888500000000 ]  - [   0.0037291700000000, -0.0007509400000000, -0.0005409000000000 ]  - [  -0.0004148300000000,  0.0009183600000000, -0.0001023700000000 ]  - [   0.0004015700000000,  0.0002853200000000,  0.0000796200000000 ]  - [   0.0004010900000000, -0.0010902200000000, -0.0006878200000000 ]  - [  -0.0006676800000000, -0.0004413700000000, -0.0005518700000000 ]  - [   0.0016574200000000, -0.0016956500000000,  0.0001725800000000 ]  - [  -0.0017810800000000,  0.0002987100000000,  0.0014382300000000 ]  - [  -0.0048607600000000, -0.0178021600000000, -0.0263895900000000 ]  - [   0.0009430100000000, -0.0002831100000000, -0.0006540700000000 ]- atom:   37  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0024312800000000, -0.0012779700000000, -0.0010904900000000 ]  - [   0.0036114800000000,  0.0001585100000000, -0.0026118400000000 ]  - [  -0.0003115400000000, -0.0006090000000000,  0.0000475900000000 ]  - [   0.0002619800000000,  0.0006104300000000,  0.0001094000000000 ]  - [  -0.0001329000000000,  0.0005888500000000,  0.0013864300000000 ]  - [  -0.0013700800000000,  0.0033072400000000,  0.0068032900000000 ]  - [  -0.0002495000000000, -0.0005199000000000,  0.0008249300000000 ]  - [   0.0001716800000000, -0.0017282700000000,  0.0013950500000000 ]  - [   0.0002246800000000,  0.0003256600000000, -0.0008072600000000 ]  - [  -0.0000613600000000,  0.0003696400000000, -0.0016525400000000 ]  - [  -0.0002233600000000, -0.0003159300000000, -0.0008332600000000 ]  - [  -0.0001120400000000, -0.0004117800000000, -0.0011093400000000 ]  - [  -0.0024576200000000,  0.0081701700000000, -0.0049492900000000 ]  - [   0.0014325600000000,  0.0011715200000000,  0.0001795400000000 ]  - [   0.0028894300000000, -0.0084352700000000, -0.0050957200000000 ]  - [  -0.0004496200000000, -0.0007036300000000,  0.0003956100000000 ]  - [  -0.0006524600000000,  0.0002488600000000,  0.0030916000000000 ]  - [   0.0157522700000000,  0.0648116500000000,  0.0600933800000000 ]  - [   0.0001309200000000, -0.0016013500000000,  0.0025818100000000 ]  - [  -0.0008471000000000,  0.0006336700000000,  0.0021970200000000 ]  - [   0.0004190400000000,  0.0007628400000000, -0.0044293500000000 ]  - [  -0.0009935100000000,  0.0010657300000000, -0.0021433000000000 ]  - [   0.0005335400000000, -0.0007267800000000, -0.0023270600000000 ]  - [   0.0005787600000000, -0.0012998300000000, -0.0025145900000000 ]  - [  -0.0015385700000000,  0.0003166300000000, -0.0029338000000000 ]  - [   0.0007193900000000,  0.0005825100000000, -0.0047894600000000 ]  - [  -0.0017498600000000, -0.0001947200000000, -0.0035011400000000 ]  - [   0.0018411300000000, -0.0004108600000000, -0.0028795300000000 ]  - [   0.0732661300000000,  0.0597731000000000,  0.1028858000000000 ]  - [  -0.0002748100000000, -0.0005436500000000,  0.0029695400000000 ]  - [   0.0006088500000000, -0.0002741300000000,  0.0041650000000000 ]  - [  -0.0014296500000000, -0.0011047900000000,  0.0028820200000000 ]  - [   0.0084275100000000,  0.0017059000000000, -0.0056777200000000 ]  - [  -0.0084294900000000, -0.0021795000000000, -0.0063863900000000 ]  - [   0.0011343600000000,  0.0030244600000000, -0.0006862700000000 ]  - [  -0.0006970700000000, -0.0005767200000000,  0.0000655100000000 ]  - [  -0.1183337800000000, -0.1786607000000000, -0.2000420500000000 ]  - [   0.0002672600000000, -0.0006104300000000, -0.0016454700000000 ]  - [  -0.0008295700000000, -0.0003702800000000, -0.0019576500000000 ]  - [   0.0003652000000000,  0.0007574400000000, -0.0009053100000000 ]  - [  -0.0020157400000000,  0.0015249900000000,  0.0029590900000000 ]  - [   0.0008747500000000,  0.0024528000000000,  0.0029070500000000 ]  - [  -0.0003437800000000, -0.0012556100000000,  0.0020059100000000 ]  - [   0.0002463000000000, -0.0001344700000000,  0.0003963800000000 ]  - [  -0.0001154600000000, -0.0005867500000000,  0.0016255700000000 ]  - [  -0.0004599600000000, -0.0007348400000000,  0.0020522400000000 ]  - [  -0.0001589600000000, -0.0007676000000000,  0.0020536000000000 ]  - [  -0.0004344600000000, -0.0009052200000000,  0.0016535400000000 ]  - [  -0.0011763900000000, -0.0012606300000000,  0.0025652800000000 ]  - [   0.0022079900000000, -0.0017106700000000,  0.0030135700000000 ]  - [  -0.0001716800000000, -0.0005318700000000,  0.0007882100000000 ]  - [   0.0001728000000000,  0.0005743100000000,  0.0005567500000000 ]  - [  -0.0087417900000000,  0.0108166900000000,  0.0071287200000000 ]  - [   0.0033691500000000,  0.0009254700000000, -0.0008692000000000 ]  - [   0.0009247200000000, -0.0025079200000000,  0.0000080500000000 ]  - [   0.0006016300000000,  0.0003377600000000, -0.0008751600000000 ]  - [  -0.0010340700000000, -0.0014331100000000,  0.0025661700000000 ]  - [   0.0001360300000000, -0.0001224600000000,  0.0005614900000000 ]  - [  -0.0030570100000000,  0.0013564000000000,  0.0030074600000000 ]  - [   0.0006804800000000,  0.0006863900000000,  0.0007948100000000 ]  - [   0.0026928900000000, -0.0013744800000000,  0.0029034600000000 ]  - [  -0.0007442200000000, -0.0011055900000000,  0.0020038800000000 ]  - [   0.0020389900000000,  0.0020047300000000,  0.0029560500000000 ]  - [  -0.0003802300000000,  0.0001076100000000,  0.0004022500000000 ]  - [   0.0171079100000000,  0.0000404900000000,  0.0101920800000000 ]  - [  -0.0017033100000000, -0.0000011600000000, -0.0010613300000000 ]  - [  -0.0009953800000000,  0.0027763100000000, -0.0011642900000000 ]  - [  -0.0001346800000000,  0.0007121300000000, -0.0011605500000000 ]  - [  -0.0022528400000000, -0.0007506800000000, -0.0010731800000000 ]  - [   0.0178628800000000,  0.0099216100000000,  0.0131712000000000 ]  - [  -0.0009816300000000, -0.0003155100000000, -0.0010756900000000 ]  - [   0.0003811600000000,  0.0004427200000000, -0.0002048500000000 ]  - [   0.0006286600000000,  0.0008315700000000, -0.0020066100000000 ]  - [   0.0007473600000000,  0.0024961700000000, -0.0051933500000000 ]  - [   0.0009995800000000,  0.0007213600000000, -0.0085412500000000 ]  - [   0.0009033100000000, -0.0000824700000000, -0.0022309200000000 ]  - [   0.0001166100000000,  0.0006200700000000,  0.0026508200000000 ]  - [   0.0006993800000000,  0.0004747500000000,  0.0015524100000000 ]  - [  -0.0000684800000000,  0.0008752400000000,  0.0015532800000000 ]  - [   0.0005601100000000,  0.0011394600000000,  0.0017760700000000 ]  - [   0.0005388700000000, -0.0019580300000000, -0.0011293500000000 ]  - [   0.0004147400000000, -0.0004298000000000, -0.0011247000000000 ]  - [   0.0002277200000000,  0.0299811200000000,  0.0215897500000000 ]  - [   0.0007750500000000,  0.0003194000000000, -0.0007893400000000 ]- atom:   37  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0024319900000000,  0.0012828700000000,  0.0010876300000000 ]  - [  -0.0036284100000000, -0.0001571700000000,  0.0026127000000000 ]  - [   0.0003147800000000,  0.0006101700000000, -0.0000494600000000 ]  - [  -0.0002649200000000, -0.0006118000000000, -0.0001136200000000 ]  - [   0.0001232000000000, -0.0005807600000000, -0.0013700100000000 ]  - [   0.0015259300000000, -0.0033705200000000, -0.0067198200000000 ]  - [   0.0002535400000000,  0.0005158900000000, -0.0008148600000000 ]  - [  -0.0001807600000000,  0.0017297200000000, -0.0013819800000000 ]  - [  -0.0002207400000000, -0.0003239600000000,  0.0007990200000000 ]  - [   0.0000587000000000, -0.0003683400000000,  0.0016435500000000 ]  - [   0.0002232500000000,  0.0003155100000000,  0.0008252700000000 ]  - [   0.0001101000000000,  0.0004104400000000,  0.0011036000000000 ]  - [   0.0024611500000000, -0.0081866600000000,  0.0049542700000000 ]  - [  -0.0014320000000000, -0.0011729800000000, -0.0001957900000000 ]  - [  -0.0028890600000000,  0.0084322100000000,  0.0050986000000000 ]  - [   0.0004456600000000,  0.0007089500000000, -0.0004061800000000 ]  - [   0.0006497500000000, -0.0002418400000000, -0.0030886300000000 ]  - [  -0.0151846700000000, -0.0622904100000000, -0.0594636700000000 ]  - [  -0.0001277600000000,  0.0015629200000000, -0.0025381600000000 ]  - [   0.0008451100000000, -0.0006418900000000, -0.0021932700000000 ]  - [  -0.0004158900000000, -0.0007597000000000,  0.0044217300000000 ]  - [   0.0009895700000000, -0.0010619300000000,  0.0021456200000000 ]  - [  -0.0005360900000000,  0.0007254700000000,  0.0023292900000000 ]  - [  -0.0005731600000000,  0.0012948500000000,  0.0025156300000000 ]  - [   0.0015407800000000, -0.0003143700000000,  0.0029272700000000 ]  - [  -0.0007220400000000, -0.0005900700000000,  0.0047869700000000 ]  - [   0.0017612100000000,  0.0001969700000000,  0.0034952800000000 ]  - [  -0.0018501900000000,  0.0004135500000000,  0.0028744100000000 ]  - [  -0.0767655500000000, -0.0626796100000000, -0.1045742700000000 ]  - [   0.0002829600000000,  0.0005473100000000, -0.0029721800000000 ]  - [  -0.0006171000000000,  0.0002758100000000, -0.0041732500000000 ]  - [   0.0014540300000000,  0.0011182500000000, -0.0029198200000000 ]  - [  -0.0084170400000000, -0.0017135400000000,  0.0056851600000000 ]  - [   0.0084248900000000,  0.0021797600000000,  0.0063872100000000 ]  - [  -0.0011329800000000, -0.0030098700000000,  0.0007071900000000 ]  - [   0.0006876500000000,  0.0005752900000000, -0.0000474500000000 ]  - [   0.1211082300000000,  0.1793239500000000,  0.2012330700000000 ]  - [  -0.0002871700000000,  0.0005798300000000,  0.0016370700000000 ]  - [   0.0008190100000000,  0.0003490000000000,  0.0019552700000000 ]  - [  -0.0003906000000000, -0.0007768300000000,  0.0008995100000000 ]  - [   0.0020310200000000, -0.0015491600000000, -0.0029621800000000 ]  - [  -0.0008585600000000, -0.0024672100000000, -0.0029035400000000 ]  - [   0.0003602100000000,  0.0012198800000000, -0.0020052500000000 ]  - [  -0.0002289900000000,  0.0001074800000000, -0.0004053100000000 ]  - [   0.0001037200000000,  0.0005604300000000, -0.0016203000000000 ]  - [   0.0004479500000000,  0.0007145200000000, -0.0020490100000000 ]  - [   0.0001445600000000,  0.0007355000000000, -0.0020464500000000 ]  - [   0.0004267100000000,  0.0008775700000000, -0.0016484900000000 ]  - [   0.0011553300000000,  0.0012906600000000, -0.0025687800000000 ]  - [  -0.0022189000000000,  0.0017249900000000, -0.0030103000000000 ]  - [   0.0001554800000000,  0.0005572100000000, -0.0007965300000000 ]  - [  -0.0001868400000000, -0.0005466400000000, -0.0005656200000000 ]  - [   0.0086631200000000, -0.0107057300000000, -0.0071219100000000 ]  - [  -0.0033833100000000, -0.0009216300000000,  0.0008654300000000 ]  - [  -0.0009432500000000,  0.0025104000000000, -0.0000198200000000 ]  - [  -0.0006201900000000, -0.0003354800000000,  0.0008610500000000 ]  - [   0.0010639800000000,  0.0014420700000000, -0.0025693500000000 ]  - [  -0.0001076500000000,  0.0001176600000000, -0.0005635100000000 ]  - [   0.0031009500000000, -0.0013623700000000, -0.0030189900000000 ]  - [  -0.0006598400000000, -0.0006820600000000, -0.0007905300000000 ]  - [  -0.0027249900000000,  0.0013734000000000, -0.0029080000000000 ]  - [   0.0007197200000000,  0.0011084400000000, -0.0020089600000000 ]  - [  -0.0020767900000000, -0.0020150600000000, -0.0029667400000000 ]  - [   0.0003555200000000, -0.0001083500000000, -0.0004011800000000 ]  - [  -0.0173032100000000, -0.0000915900000000, -0.0102537400000000 ]  - [   0.0017171600000000, -0.0000294700000000,  0.0010757500000000 ]  - [   0.0010174100000000, -0.0028182500000000,  0.0011759200000000 ]  - [   0.0001507000000000, -0.0007492700000000,  0.0011779800000000 ]  - [   0.0022760000000000,  0.0007417000000000,  0.0010664900000000 ]  - [  -0.0176695400000000, -0.0098145100000000, -0.0130855200000000 ]  - [   0.0009996800000000,  0.0003200600000000,  0.0010653100000000 ]  - [  -0.0003493100000000, -0.0004391500000000,  0.0002032400000000 ]  - [  -0.0006092100000000, -0.0008066100000000,  0.0020004400000000 ]  - [  -0.0007501300000000, -0.0025324900000000,  0.0051736200000000 ]  - [  -0.0008800400000000, -0.0005935700000000,  0.0085601600000000 ]  - [  -0.0008957600000000,  0.0001093700000000,  0.0022243900000000 ]  - [  -0.0001039300000000, -0.0005911400000000, -0.0026437800000000 ]  - [  -0.0006904900000000, -0.0004536500000000, -0.0015492700000000 ]  - [   0.0000804200000000, -0.0008487900000000, -0.0015483200000000 ]  - [  -0.0005532800000000, -0.0011134400000000, -0.0017731900000000 ]  - [  -0.0005487300000000,  0.0019898800000000,  0.0011376400000000 ]  - [  -0.0004398900000000,  0.0004633200000000,  0.0011434100000000 ]  - [  -0.0002475800000000, -0.0303932200000000, -0.0218296700000000 ]  - [  -0.0007945800000000, -0.0002921900000000,  0.0008005000000000 ]