# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/423503f5-5757-42ba-84b0-d47e44b42b11/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 Li8HfO6 / R-3 (148) / materials id 752922](https://mdr.nims.go.jp/datasets/4c4f5a5f-c504-4328-9ec0-3d812bfe0b69)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "R-3"  number: 148  Hall_symbol: "-R 3"primitive_matrix:- [  0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [  0.333333333333333,  0.333333333333333, -0.666666666666667 ]- [  0.333333333333333,  0.333333333333333,  0.333333333333333 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     2.716971800000003,     1.568644403333332,     5.105087613333328 ] # a  - [    -2.716971799999997,     1.568644403333332,     5.105087613333328 ] # b  - [     0.000000000000003,    -3.137288806666668,     5.105087613333328 ] # c  points:  - symbol: Li # 1    coordinates: [  0.504427470000000,  0.234721050000001,  0.896699470000000 ]    mass: 6.941000  - symbol: Li # 2    coordinates: [  0.765278950000000,  0.103300520000000,  0.495572530000000 ]    mass: 6.941000  - symbol: Li # 3    coordinates: [  0.103300530000000,  0.495572520000000,  0.765278950000000 ]    mass: 6.941000  - symbol: Li # 4    coordinates: [  0.656447500000000,  0.656447510000001,  0.656447500000000 ]    mass: 6.941000  - symbol: Li # 5    coordinates: [  0.343552490000000,  0.343552500000000,  0.343552490000000 ]    mass: 6.941000  - symbol: Li # 6    coordinates: [  0.896699470000000,  0.504427470000000,  0.234721050000000 ]    mass: 6.941000  - symbol: Li # 7    coordinates: [  0.234721050000000,  0.896699470000000,  0.504427470000000 ]    mass: 6.941000  - symbol: Li # 8    coordinates: [  0.495572530000000,  0.765278940000000,  0.103300530000000 ]    mass: 6.941000  - symbol: Hf # 9    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 178.490000  - symbol: O  # 10    coordinates: [  0.385577200000000,  0.091612210000000,  0.765237410000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.908387800000000,  0.234762590000001,  0.614422810000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.234762600000000,  0.614422800000001,  0.908387800000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.765237410000000,  0.385577210000000,  0.091612200000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.091612200000000,  0.765237420000000,  0.385577200000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.614422810000000,  0.908387790000001,  0.234762600000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.184028409864247,     0.106248851755378,     0.065294341366981 ] # a*  - [    -0.184028409864247,     0.106248851755378,     0.065294341366981 ] # b*  - [     0.000000000000000,    -0.212497703510756,     0.065294341366981 ] # c*unit_cell:  lattice:  - [     5.433943600000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -2.716971800000000,     4.705933210000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    15.315262840000001 ] # c  points:  - symbol: Li # 1    coordinates: [  0.292478140000000,  0.315249860000000,  0.211949330000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 2    coordinates: [  0.643894950000000,  0.625811470000000,  0.121384000000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 3    coordinates: [  0.981916530000000,  0.356105050000000,  0.121384000000000 ]    mass: 6.941000    reduced_to: 3  - symbol: Li # 4    coordinates: [  0.333333330000000,  0.666666670000000,  0.323114170000000 ]    mass: 6.941000    reduced_to: 4  - symbol: Li # 5    coordinates: [  0.333333330000000,  0.666666670000000,  0.010219160000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 6    coordinates: [  0.684750140000000,  0.977228280000000,  0.211949330000000 ]    mass: 6.941000    reduced_to: 6  - symbol: Li # 7    coordinates: [  0.022771720000000,  0.707521860000000,  0.211949330000000 ]    mass: 6.941000    reduced_to: 7  - symbol: Li # 8    coordinates: [  0.374188530000000,  0.018083470000000,  0.121384000000000 ]    mass: 6.941000    reduced_to: 8  - symbol: Li # 9    coordinates: [  0.959144810000000,  0.648583190000000,  0.545282670000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 10    coordinates: [  0.310561610000000,  0.959144810000000,  0.454717330000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 11    coordinates: [  0.648583190000000,  0.689438390000000,  0.454717330000000 ]    mass: 6.941000    reduced_to: 3  - symbol: Li # 12    coordinates: [  0.000000000000000,  0.000000000000000,  0.656447510000000 ]    mass: 6.941000    reduced_to: 4  - symbol: Li # 13    coordinates: [  0.000000000000000,  0.000000000000000,  0.343552490000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 14    coordinates: [  0.351416810000000,  0.310561610000000,  0.545282670000000 ]    mass: 6.941000    reduced_to: 6  - symbol: Li # 15    coordinates: [  0.689438390000000,  0.040855190000000,  0.545282670000000 ]    mass: 6.941000    reduced_to: 7  - symbol: Li # 16    coordinates: [  0.040855190000000,  0.351416810000000,  0.454717330000000 ]    mass: 6.941000    reduced_to: 8  - symbol: Li # 17    coordinates: [  0.625811470000000,  0.981916530000000,  0.878616000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 18    coordinates: [  0.977228280000000,  0.292478140000000,  0.788050670000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 19    coordinates: [  0.315249860000000,  0.022771720000000,  0.788050670000000 ]    mass: 6.941000    reduced_to: 3  - symbol: Li # 20    coordinates: [  0.666666670000000,  0.333333330000000,  0.989780840000000 ]    mass: 6.941000    reduced_to: 4  - symbol: Li # 21    coordinates: [  0.666666670000000,  0.333333330000000,  0.676885830000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 22    coordinates: [  0.018083470000000,  0.643894950000000,  0.878616000000000 ]    mass: 6.941000    reduced_to: 6  - symbol: Li # 23    coordinates: [  0.356105050000000,  0.374188530000000,  0.878616000000000 ]    mass: 6.941000    reduced_to: 7  - symbol: Li # 24    coordinates: [  0.707521860000000,  0.684750140000000,  0.788050670000000 ]    mass: 6.941000    reduced_to: 8  - symbol: Hf # 25    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 178.490000    reduced_to: 25  - symbol: Hf # 26    coordinates: [  0.666666670000000,  0.333333330000000,  0.333333330000000 ]    mass: 178.490000    reduced_to: 25  - symbol: Hf # 27    coordinates: [  0.333333330000000,  0.666666670000000,  0.666666670000000 ]    mass: 178.490000    reduced_to: 25  - symbol: O  # 28    coordinates: [  0.304768260000000,  0.315571530000000,  0.080808940000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.655863400000000,  0.638101590000000,  0.252524400000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.982238200000000,  0.344136600000000,  0.252524400000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.684428470000000,  0.989196740000000,  0.080808940000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.010803260000000,  0.695231740000000,  0.080808940000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 33    coordinates: [  0.361898410000000,  0.017761800000000,  0.252524400000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.971434930000000,  0.648904870000000,  0.414142270000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 35    coordinates: [  0.322530070000000,  0.971434930000000,  0.585857730000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 36    coordinates: [  0.648904870000000,  0.677469930000000,  0.585857730000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 37    coordinates: [  0.351095130000000,  0.322530070000000,  0.414142270000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 38    coordinates: [  0.677469930000000,  0.028565070000000,  0.414142270000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 39    coordinates: [  0.028565070000000,  0.351095130000000,  0.585857730000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 40    coordinates: [  0.638101590000000,  0.982238200000000,  0.747475600000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 41    coordinates: [  0.989196740000000,  0.304768260000000,  0.919191060000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 42    coordinates: [  0.315571530000000,  0.010803260000000,  0.919191060000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 43    coordinates: [  0.017761800000000,  0.655863400000000,  0.747475600000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 44    coordinates: [  0.344136600000000,  0.361898410000000,  0.747475600000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 45    coordinates: [  0.695231740000000,  0.684428470000000,  0.919191060000000 ]    mass: 15.999400    reduced_to: 33supercell:  lattice:  - [     5.433943600000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -2.716971800000000,     4.705933210000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    15.315262840000001 ] # c  points:  - symbol: Li # 1    coordinates: [  0.292478140000000,  0.315249860000000,  0.211949330000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 2    coordinates: [  0.643894950000000,  0.625811470000000,  0.121384000000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 3    coordinates: [  0.981916530000000,  0.356105050000000,  0.121384000000000 ]    mass: 6.941000    reduced_to: 3  - symbol: Li # 4    coordinates: [  0.333333330000000,  0.666666670000000,  0.323114170000000 ]    mass: 6.941000    reduced_to: 4  - symbol: Li # 5    coordinates: [  0.333333330000000,  0.666666670000000,  0.010219160000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 6    coordinates: [  0.684750140000000,  0.977228280000000,  0.211949330000000 ]    mass: 6.941000    reduced_to: 6  - symbol: Li # 7    coordinates: [  0.022771720000000,  0.707521860000000,  0.211949330000000 ]    mass: 6.941000    reduced_to: 7  - symbol: Li # 8    coordinates: [  0.374188530000000,  0.018083470000000,  0.121384000000000 ]    mass: 6.941000    reduced_to: 8  - symbol: Li # 9    coordinates: [  0.959144810000000,  0.648583190000000,  0.545282670000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 10    coordinates: [  0.310561610000000,  0.959144810000000,  0.454717330000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 11    coordinates: [  0.648583190000000,  0.689438390000000,  0.454717330000000 ]    mass: 6.941000    reduced_to: 3  - symbol: Li # 12    coordinates: [  0.000000000000000,  0.000000000000000,  0.656447510000000 ]    mass: 6.941000    reduced_to: 4  - symbol: Li # 13    coordinates: [  0.000000000000000,  0.000000000000000,  0.343552490000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 14    coordinates: [  0.351416810000000,  0.310561610000000,  0.545282670000000 ]    mass: 6.941000    reduced_to: 6  - symbol: Li # 15    coordinates: [  0.689438390000000,  0.040855190000000,  0.545282670000000 ]    mass: 6.941000    reduced_to: 7  - symbol: Li # 16    coordinates: [  0.040855190000000,  0.351416810000000,  0.454717330000000 ]    mass: 6.941000    reduced_to: 8  - symbol: Li # 17    coordinates: [  0.625811470000000,  0.981916530000000,  0.878616000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 18    coordinates: [  0.977228280000000,  0.292478140000000,  0.788050670000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 19    coordinates: [  0.315249860000000,  0.022771720000000,  0.788050670000000 ]    mass: 6.941000    reduced_to: 3  - symbol: Li # 20    coordinates: [  0.666666670000000,  0.333333330000000,  0.989780840000000 ]    mass: 6.941000    reduced_to: 4  - symbol: Li # 21    coordinates: [  0.666666670000000,  0.333333330000000,  0.676885830000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 22    coordinates: [  0.018083470000000,  0.643894950000000,  0.878616000000000 ]    mass: 6.941000    reduced_to: 6  - symbol: Li # 23    coordinates: [  0.356105050000000,  0.374188530000000,  0.878616000000000 ]    mass: 6.941000    reduced_to: 7  - symbol: Li # 24    coordinates: [  0.707521860000000,  0.684750140000000,  0.788050670000000 ]    mass: 6.941000    reduced_to: 8  - symbol: Hf # 25    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 178.490000    reduced_to: 25  - symbol: Hf # 26    coordinates: [  0.666666670000000,  0.333333330000000,  0.333333330000000 ]    mass: 178.490000    reduced_to: 25  - symbol: Hf # 27    coordinates: [  0.333333330000000,  0.666666670000000,  0.666666670000000 ]    mass: 178.490000    reduced_to: 25  - symbol: O  # 28    coordinates: [  0.304768260000000,  0.315571530000000,  0.080808940000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.655863400000000,  0.638101590000000,  0.252524400000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.982238200000000,  0.344136600000000,  0.252524400000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.684428470000000,  0.989196740000000,  0.080808940000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.010803260000000,  0.695231740000000,  0.080808940000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 33    coordinates: [  0.361898410000000,  0.017761800000000,  0.252524400000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.971434930000000,  0.648904870000000,  0.414142270000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 35    coordinates: [  0.322530070000000,  0.971434930000000,  0.585857730000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 36    coordinates: [  0.648904870000000,  0.677469930000000,  0.585857730000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 37    coordinates: [  0.351095130000000,  0.322530070000000,  0.414142270000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 38    coordinates: [  0.677469930000000,  0.028565070000000,  0.414142270000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 39    coordinates: [  0.028565070000000,  0.351095130000000,  0.585857730000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 40    coordinates: [  0.638101590000000,  0.982238200000000,  0.747475600000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 41    coordinates: [  0.989196740000000,  0.304768260000000,  0.919191060000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 42    coordinates: [  0.315571530000000,  0.010803260000000,  0.919191060000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 43    coordinates: [  0.017761800000000,  0.655863400000000,  0.747475600000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 44    coordinates: [  0.344136600000000,  0.361898410000000,  0.747475600000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 45    coordinates: [  0.695231740000000,  0.684428470000000,  0.919191060000000 ]    mass: 15.999400    reduced_to: 33displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0799481000000000,  0.0047980500000000, -0.0027185800000000 ]  - [   0.0010103800000000,  0.0070602900000000, -0.0069317400000000 ]  - [   0.0106628200000000, -0.0014487900000000,  0.0104088100000000 ]  - [  -0.0013304600000000, -0.0039319400000000, -0.0026868500000000 ]  - [   0.0000124700000000,  0.0000794400000000,  0.0001844800000000 ]  - [   0.0043491100000000,  0.0033368700000000, -0.0000298400000000 ]  - [   0.0018966000000000, -0.0019133400000000,  0.0000874500000000 ]  - [   0.0024782900000000, -0.0066686300000000, -0.0069606600000000 ]  - [  -0.0000539000000000,  0.0000165600000000, -0.0003323800000000 ]  - [   0.0000105500000000, -0.0000578400000000,  0.0007093500000000 ]  - [  -0.0000069000000000,  0.0000389900000000,  0.0006684300000000 ]  - [   0.0000013400000000, -0.0000074100000000,  0.0000385800000000 ]  - [  -0.0012121900000000,  0.0029006000000000, -0.0022730200000000 ]  - [   0.0000379400000000, -0.0000107300000000, -0.0003066100000000 ]  - [  -0.0000171700000000,  0.0000033500000000, -0.0003398900000000 ]  - [  -0.0000447700000000, -0.0000091500000000, -0.0002609000000000 ]  - [  -0.0000418700000000, -0.0000329500000000,  0.0004257900000000 ]  - [   0.0000374300000000, -0.0000120700000000, -0.0002439800000000 ]  - [  -0.0000349700000000, -0.0000325600000000, -0.0002199500000000 ]  - [  -0.0000073600000000, -0.0000834600000000, -0.0000953100000000 ]  - [   0.0000013500000000,  0.0000047000000000,  0.0000351100000000 ]  - [   0.0000328600000000,  0.0000489300000000,  0.0003793700000000 ]  - [   0.0000246400000000,  0.0000159300000000,  0.0003853600000000 ]  - [   0.0000099900000000,  0.0000227700000000, -0.0002321800000000 ]  - [  -0.0004551600000000,  0.0000220000000000,  0.0005819800000000 ]  - [   0.0237264000000000,  0.0013551100000000,  0.0135351400000000 ]  - [   0.0000030400000000,  0.0000097000000000,  0.0001363500000000 ]  - [   0.0083525700000000, -0.0002922000000000,  0.0005153000000000 ]  - [   0.0054647000000000,  0.0001399200000000, -0.0001775200000000 ]  - [   0.0207110300000000, -0.0014400900000000, -0.0037113700000000 ]  - [  -0.0013201600000000, -0.0011015100000000, -0.0005321300000000 ]  - [  -0.0010659900000000,  0.0008922800000000, -0.0001454200000000 ]  - [   0.0079743400000000, -0.0035132000000000,  0.0007666900000000 ]  - [  -0.0009732600000000,  0.0005891300000000, -0.0001098300000000 ]  - [  -0.0000305600000000,  0.0000177400000000,  0.0000524900000000 ]  - [   0.0000133800000000, -0.0000169500000000,  0.0000585300000000 ]  - [   0.0004808700000000, -0.0000848300000000, -0.0002545800000000 ]  - [  -0.0010586700000000, -0.0007314200000000, -0.0001037400000000 ]  - [  -0.0000232800000000, -0.0000266200000000,  0.0000307300000000 ]  - [   0.0000033400000000, -0.0000037300000000, -0.0000864900000000 ]  - [   0.0001429400000000,  0.0000844500000000,  0.0001902100000000 ]  - [   0.0000197300000000, -0.0001388200000000, -0.0002433700000000 ]  - [   0.0000137400000000,  0.0000034500000000, -0.0000996200000000 ]  - [   0.0000007900000000,  0.0000130700000000, -0.0000895800000000 ]  - [   0.0001521200000000,  0.0001049200000000, -0.0000045800000000 ]- atom:    1  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0813146500000000, -0.0048572700000000,  0.0021950100000000 ]  - [  -0.0010443100000000, -0.0070722700000000,  0.0061955100000000 ]  - [  -0.0108432500000000,  0.0014521500000000, -0.0113168000000000 ]  - [   0.0013633400000000,  0.0039090300000000,  0.0026505000000000 ]  - [  -0.0000041600000000, -0.0000789400000000, -0.0002215100000000 ]  - [  -0.0043165700000000, -0.0033463300000000,  0.0005753800000000 ]  - [  -0.0019640500000000,  0.0019959300000000,  0.0004446500000000 ]  - [  -0.0024931500000000,  0.0066460700000000,  0.0061968900000000 ]  - [  -0.0000023600000000, -0.0000136900000000, -0.0003781500000000 ]  - [  -0.0000267300000000,  0.0000097100000000,  0.0000085400000000 ]  - [  -0.0000418700000000, -0.0000298900000000,  0.0000390000000000 ]  - [  -0.0000053900000000, -0.0000009600000000, -0.0000097800000000 ]  - [   0.0012491300000000, -0.0028861900000000,  0.0022352700000000 ]  - [   0.0000094400000000, -0.0000038300000000, -0.0004068500000000 ]  - [   0.0000349900000000,  0.0000457300000000, -0.0003779300000000 ]  - [   0.0001007600000000,  0.0000009600000000,  0.0009733200000000 ]  - [   0.0000098200000000, -0.0000074600000000,  0.0002898400000000 ]  - [   0.0000230200000000, -0.0000158600000000, -0.0002790300000000 ]  - [  -0.0000310600000000, -0.0000197500000000, -0.0003133900000000 ]  - [   0.0000021200000000,  0.0000754800000000,  0.0001239500000000 ]  - [   0.0000015000000000,  0.0000024900000000, -0.0000164100000000 ]  - [   0.0000401800000000, -0.0000178300000000,  0.0003360800000000 ]  - [  -0.0000585600000000,  0.0000338100000000,  0.0003246600000000 ]  - [  -0.0000082300000000,  0.0000146400000000, -0.0002976200000000 ]  - [   0.0004802300000000,  0.0000066800000000, -0.0005855300000000 ]  - [  -0.0236787300000000, -0.0013419200000000, -0.0132261000000000 ]  - [   0.0000028300000000, -0.0000191500000000, -0.0001344700000000 ]  - [  -0.0083607500000000,  0.0002909000000000, -0.0005266200000000 ]  - [  -0.0052626300000000,  0.0001011000000000,  0.0003435000000000 ]  - [  -0.0224957300000000,  0.0015812700000000,  0.0044267900000000 ]  - [   0.0013060200000000,  0.0011375300000000,  0.0005311100000000 ]  - [   0.0011033400000000, -0.0009161500000000,  0.0001484900000000 ]  - [  -0.0076659200000000,  0.0031466000000000, -0.0005238500000000 ]  - [   0.0010123600000000, -0.0005796300000000, -0.0001231500000000 ]  - [   0.0000132900000000, -0.0000035200000000,  0.0001454700000000 ]  - [   0.0000134200000000, -0.0000122200000000,  0.0001585000000000 ]  - [  -0.0005116700000000,  0.0001036200000000,  0.0000599600000000 ]  - [   0.0010728500000000,  0.0007291100000000, -0.0001122300000000 ]  - [  -0.0000032300000000,  0.0000119700000000,  0.0001931100000000 ]  - [   0.0000012500000000,  0.0000174800000000,  0.0000287100000000 ]  - [  -0.0001832600000000, -0.0001065000000000, -0.0001653300000000 ]  - [   0.0000044300000000,  0.0001113200000000,  0.0002688100000000 ]  - [  -0.0000252900000000,  0.0000251400000000,  0.0000414300000000 ]  - [   0.0000241900000000, -0.0000243000000000,  0.0000329700000000 ]  - [  -0.0001562500000000, -0.0000950500000000,  0.0000473400000000 ]- atom:    1  displacement:    [  -0.0049999999922958,  0.0086602540422924,  0.0000000000000000 ]  forces:  - [   0.0441950700000000, -0.0456526500000000,  0.0025294200000000 ]  - [   0.0057665300000000,  0.0013826300000000, -0.0047930900000000 ]  - [  -0.0067982300000000, -0.0027773200000000, -0.0069560500000000 ]  - [  -0.0024158500000000,  0.0061628500000000,  0.0068434900000000 ]  - [  -0.0000877600000000,  0.0000417900000000, -0.0004842100000000 ]  - [   0.0000095500000000,  0.0022482900000000,  0.0002754800000000 ]  - [  -0.0019372400000000,  0.0069087800000000,  0.0001488300000000 ]  - [  -0.0069490500000000,  0.0069379200000000,  0.0089235700000000 ]  - [  -0.0000243900000000, -0.0000004900000000, -0.0003336700000000 ]  - [  -0.0000344500000000,  0.0000362600000000, -0.0001240300000000 ]  - [  -0.0000128400000000,  0.0000310000000000,  0.0005780300000000 ]  - [  -0.0000067800000000, -0.0000041300000000,  0.0000315200000000 ]  - [   0.0028579000000000,  0.0008845400000000, -0.0031208600000000 ]  - [   0.0000126400000000,  0.0000331200000000, -0.0003421800000000 ]  - [   0.0000335500000000,  0.0000371500000000, -0.0003295000000000 ]  - [   0.0000582100000000, -0.0000419200000000,  0.0007347100000000 ]  - [   0.0000118500000000, -0.0000091600000000,  0.0003667200000000 ]  - [   0.0000249100000000, -0.0000192400000000, -0.0002244300000000 ]  - [  -0.0000316700000000, -0.0000238000000000, -0.0002549200000000 ]  - [   0.0000253500000000,  0.0000961600000000,  0.0000923200000000 ]  - [   0.0000030600000000,  0.0000047300000000,  0.0000290000000000 ]  - [   0.0000383900000000, -0.0000155000000000,  0.0004059500000000 ]  - [  -0.0000489600000000,  0.0000428800000000,  0.0004168900000000 ]  - [  -0.0000016900000000,  0.0000254400000000, -0.0002419000000000 ]  - [   0.0005145700000000,  0.0001590300000000,  0.0007000900000000 ]  - [  -0.0114809500000000, -0.0112221100000000, -0.0061129600000000 ]  - [   0.0000136400000000, -0.0000126800000000,  0.0001010700000000 ]  - [  -0.0045422200000000,  0.0064927200000000,  0.0000608800000000 ]  - [  -0.0032885800000000,  0.0083647900000000, -0.0003499900000000 ]  - [  -0.0119475200000000,  0.0075165800000000,  0.0025293400000000 ]  - [   0.0006110700000000, -0.0006472900000000,  0.0000980700000000 ]  - [   0.0003526400000000, -0.0019260000000000, -0.0002325800000000 ]  - [  -0.0055394700000000,  0.0129520300000000, -0.0004423100000000 ]  - [   0.0002031700000000, -0.0001976500000000, -0.0001868400000000 ]  - [  -0.0000095400000000,  0.0000375300000000,  0.0000282000000000 ]  - [   0.0000318100000000,  0.0000010400000000,  0.0000739600000000 ]  - [  -0.0002192600000000,  0.0014377900000000, -0.0001184300000000 ]  - [   0.0008081100000000,  0.0005672200000000, -0.0001694100000000 ]  - [  -0.0000187300000000, -0.0000136300000000,  0.0000731800000000 ]  - [  -0.0000099900000000, -0.0000063300000000, -0.0000799300000000 ]  - [  -0.0001716400000000, -0.0001254700000000, -0.0002065100000000 ]  - [  -0.0000139200000000,  0.0000989300000000,  0.0001928000000000 ]  - [   0.0000018300000000,  0.0000204000000000, -0.0000676500000000 ]  - [   0.0000114900000000,  0.0000064000000000, -0.0000705300000000 ]  - [   0.0000053700000000,  0.0001673800000000,  0.0000084200000000 ]- atom:    1  displacement:    [   0.0049999999922958, -0.0086602540422924,  0.0000000000000000 ]  forces:  - [  -0.0447948200000000,  0.0467721400000000, -0.0027375900000000 ]  - [  -0.0057081500000000, -0.0015056300000000,  0.0040999200000000 ]  - [   0.0067292800000000,  0.0026642000000000,  0.0062106100000000 ]  - [   0.0024085700000000, -0.0061326800000000, -0.0067537100000000 ]  - [   0.0000980400000000, -0.0000416100000000,  0.0004464100000000 ]  - [   0.0001006800000000, -0.0021557800000000,  0.0002719200000000 ]  - [   0.0018311700000000, -0.0069502400000000,  0.0003909300000000 ]  - [   0.0070680300000000, -0.0069570100000000, -0.0098094300000000 ]  - [  -0.0000282400000000,  0.0000061600000000, -0.0003787800000000 ]  - [   0.0000202200000000, -0.0000804300000000,  0.0008431100000000 ]  - [  -0.0000303100000000, -0.0000205600000000,  0.0001300000000000 ]  - [   0.0000031400000000, -0.0000050400000000, -0.0000052200000000 ]  - [  -0.0028676800000000, -0.0008566300000000,  0.0030975900000000 ]  - [   0.0000320900000000, -0.0000487800000000, -0.0003705800000000 ]  - [  -0.0000166900000000,  0.0000061900000000, -0.0003902800000000 ]  - [  -0.0000050400000000,  0.0000298600000000, -0.0000246800000000 ]  - [  -0.0000388800000000, -0.0000296000000000,  0.0003533900000000 ]  - [   0.0000353400000000, -0.0000057000000000, -0.0002998200000000 ]  - [  -0.0000309300000000, -0.0000322500000000, -0.0002785700000000 ]  - [  -0.0000370700000000, -0.0001074100000000, -0.0000653900000000 ]  - [  -0.0000004200000000,  0.0000023300000000, -0.0000019200000000 ]  - [   0.0000346900000000,  0.0000461400000000,  0.0003093300000000 ]  - [   0.0000130100000000,  0.0000028500000000,  0.0002938400000000 ]  - [   0.0000004000000000,  0.0000098300000000, -0.0002882500000000 ]  - [  -0.0005016700000000, -0.0001160800000000, -0.0007026100000000 ]  - [   0.0114391800000000,  0.0112969600000000,  0.0061294500000000 ]  - [  -0.0000082300000000,  0.0000023300000000, -0.0000968300000000 ]  - [   0.0045442000000000, -0.0065264200000000, -0.0001022700000000 ]  - [   0.0033895200000000, -0.0082383100000000,  0.0004703300000000 ]  - [   0.0114492400000000, -0.0075806800000000, -0.0022663800000000 ]  - [  -0.0006543600000000,  0.0006457700000000, -0.0001120200000000 ]  - [  -0.0002928900000000,  0.0019555200000000,  0.0002454200000000 ]  - [   0.0064335900000000, -0.0140237400000000,  0.0009457700000000 ]  - [  -0.0001734300000000,  0.0002013400000000, -0.0000527200000000 ]  - [  -0.0000078700000000, -0.0000241800000000,  0.0001797200000000 ]  - [  -0.0000095200000000, -0.0000338900000000,  0.0001488800000000 ]  - [   0.0002027200000000, -0.0014236400000000, -0.0000907900000000 ]  - [  -0.0008023300000000, -0.0005679500000000, -0.0000460200000000 ]  - [  -0.0000020900000000, -0.0000001500000000,  0.0001553200000000 ]  - [   0.0000118100000000,  0.0000173200000000,  0.0000159900000000 ]  - [   0.0001342700000000,  0.0000964400000000,  0.0002423700000000 ]  - [   0.0000343100000000, -0.0001287400000000, -0.0001593800000000 ]  - [  -0.0000054800000000,  0.0000071500000000,  0.0000014800000000 ]  - [   0.0000081400000000, -0.0000162800000000,  0.0000060000000000 ]  - [  -0.0000055300000000, -0.0001531400000000,  0.0000454600000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0025735300000000,  0.0015688000000000, -0.0629064800000000 ]  - [  -0.0065317000000000, -0.0087183000000000,  0.0005575600000000 ]  - [   0.0109170900000000, -0.0012277500000000,  0.0005544000000000 ]  - [  -0.0028826700000000,  0.0065587200000000,  0.0041413900000000 ]  - [   0.0005207500000000, -0.0011778700000000,  0.0013313500000000 ]  - [   0.0003359500000000, -0.0000055600000000, -0.0045757500000000 ]  - [  -0.0000237700000000,  0.0003692400000000, -0.0045803500000000 ]  - [  -0.0065322200000000,  0.0069996900000000, -0.0003243100000000 ]  - [   0.0000403500000000,  0.0000518500000000,  0.0010700200000000 ]  - [   0.0002184800000000, -0.0005215000000000,  0.0017302200000000 ]  - [   0.0001132100000000,  0.0004941900000000,  0.0017241000000000 ]  - [  -0.0000063400000000, -0.0000045600000000,  0.0011678600000000 ]  - [  -0.0025046400000000, -0.0051497700000000,  0.0049223200000000 ]  - [  -0.0000702900000000, -0.0000258500000000,  0.0015186600000000 ]  - [   0.0000588700000000, -0.0000322800000000,  0.0010653100000000 ]  - [  -0.0005960800000000,  0.0000785000000000,  0.0019586900000000 ]  - [   0.0000050200000000,  0.0000187300000000,  0.0017841100000000 ]  - [   0.0000393000000000, -0.0000732200000000,  0.0013165200000000 ]  - [  -0.0000874200000000, -0.0000386500000000,  0.0013104000000000 ]  - [  -0.0010082100000000, -0.0000899500000000,  0.0012155400000000 ]  - [   0.0000076500000000,  0.0000015200000000,  0.0011623400000000 ]  - [  -0.0000140800000000,  0.0000075700000000,  0.0017838800000000 ]  - [  -0.0000016500000000, -0.0000418600000000,  0.0022254300000000 ]  - [   0.0000361200000000,  0.0000683800000000,  0.0013174600000000 ]  - [   0.0033209200000000,  0.0063079300000000,  0.0078967400000000 ]  - [   0.0168549400000000,  0.0006987500000000,  0.0104409400000000 ]  - [  -0.0000346600000000,  0.0000133000000000,  0.0066919700000000 ]  - [  -0.0011542900000000, -0.0025448600000000,  0.0063265300000000 ]  - [   0.0008643900000000,  0.0000459800000000,  0.0119037100000000 ]  - [  -0.0083062300000000,  0.0006284300000000,  0.0133536400000000 ]  - [  -0.0011516200000000, -0.0003060900000000,  0.0025809200000000 ]  - [  -0.0001599100000000, -0.0010276300000000,  0.0026349600000000 ]  - [   0.0023720400000000, -0.0017930800000000,  0.0126184000000000 ]  - [  -0.0001380100000000, -0.0002460600000000, -0.0016651600000000 ]  - [  -0.0004722000000000,  0.0008587800000000, -0.0029653300000000 ]  - [   0.0007849900000000, -0.0001873500000000, -0.0029729100000000 ]  - [  -0.0014301400000000, -0.0001329600000000, -0.0053121400000000 ]  - [  -0.0000023700000000,  0.0004209600000000, -0.0016598900000000 ]  - [  -0.0002653700000000, -0.0007194200000000, -0.0029013100000000 ]  - [  -0.0004061500000000, -0.0007008300000000, -0.0030882900000000 ]  - [  -0.0009734900000000,  0.0003913600000000, -0.0030261500000000 ]  - [   0.0008658000000000, -0.0006898400000000, -0.0030255300000000 ]  - [   0.0008093600000000, -0.0000075000000000, -0.0030843800000000 ]  - [  -0.0003982100000000,  0.0006973300000000, -0.0030597700000000 ]  - [  -0.0004399700000000, -0.0008172500000000, -0.0031576100000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0023494800000000, -0.0016667500000000,  0.0645432500000000 ]  - [   0.0066326600000000,  0.0087595200000000, -0.0012359100000000 ]  - [  -0.0110979000000000,  0.0012119900000000, -0.0012414000000000 ]  - [   0.0028353700000000, -0.0064643400000000, -0.0041605400000000 ]  - [  -0.0005163700000000,  0.0011859900000000, -0.0013749700000000 ]  - [  -0.0002617900000000,  0.0000620200000000,  0.0051295500000000 ]  - [  -0.0000320200000000, -0.0003305900000000,  0.0051251300000000 ]  - [   0.0066218000000000, -0.0070266000000000, -0.0003599500000000 ]  - [  -0.0000928900000000, -0.0000462900000000, -0.0017835300000000 ]  - [  -0.0002283700000000,  0.0004661300000000, -0.0010081100000000 ]  - [  -0.0001546700000000, -0.0004684000000000, -0.0010129800000000 ]  - [   0.0000010600000000, -0.0000029500000000, -0.0011399900000000 ]  - [   0.0024637800000000,  0.0050626500000000, -0.0049211000000000 ]  - [   0.0001130000000000,  0.0000099800000000, -0.0022203900000000 ]  - [  -0.0000434000000000,  0.0000766100000000, -0.0017855300000000 ]  - [   0.0006321000000000, -0.0000873600000000, -0.0012432600000000 ]  - [  -0.0000365100000000, -0.0000574900000000, -0.0010671400000000 ]  - [   0.0000170100000000,  0.0000483700000000, -0.0018339200000000 ]  - [   0.0000271500000000, -0.0000180400000000, -0.0018388200000000 ]  - [   0.0010043000000000,  0.0000829400000000, -0.0011813800000000 ]  - [  -0.0000029400000000,  0.0000046100000000, -0.0011362000000000 ]  - [   0.0000883900000000,  0.0000216300000000, -0.0010660200000000 ]  - [  -0.0000360800000000,  0.0000878600000000, -0.0015101100000000 ]  - [  -0.0000339500000000, -0.0000244500000000, -0.0018442100000000 ]  - [  -0.0033245100000000, -0.0063177900000000, -0.0079331900000000 ]  - [  -0.0165530200000000, -0.0006853300000000, -0.0104980400000000 ]  - [   0.0000375700000000, -0.0000153500000000, -0.0066763200000000 ]  - [   0.0012005000000000,  0.0025594000000000, -0.0075827600000000 ]  - [  -0.0008428400000000,  0.0000241300000000, -0.0118271500000000 ]  - [   0.0081915800000000, -0.0006380500000000, -0.0133294700000000 ]  - [   0.0011364600000000,  0.0003239300000000, -0.0026090200000000 ]  - [   0.0001943900000000,  0.0010288900000000, -0.0026571700000000 ]  - [  -0.0023149800000000,  0.0017069300000000, -0.0125456600000000 ]  - [   0.0001712100000000,  0.0002739500000000,  0.0014829700000000 ]  - [   0.0004476900000000, -0.0008312300000000,  0.0031584900000000 ]  - [  -0.0007498100000000,  0.0001514700000000,  0.0031750700000000 ]  - [   0.0013463200000000,  0.0001575700000000,  0.0050493200000000 ]  - [   0.0000263100000000, -0.0004446800000000,  0.0014937800000000 ]  - [   0.0002381800000000,  0.0006963200000000,  0.0031112800000000 ]  - [   0.0004206300000000,  0.0007251300000000,  0.0030348300000000 ]  - [   0.0009311500000000, -0.0003917400000000,  0.0030363500000000 ]  - [  -0.0008358900000000,  0.0006674400000000,  0.0030417800000000 ]  - [  -0.0008323600000000,  0.0000256800000000,  0.0030394500000000 ]  - [   0.0004246000000000, -0.0007104500000000,  0.0030197700000000 ]  - [   0.0004376100000000,  0.0008067700000000,  0.0031832200000000 ]- atom:    4  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0013696400000000, -0.0035764600000000, -0.0025846600000000 ]  - [   0.0001031500000000, -0.0001461300000000, -0.0016387900000000 ]  - [   0.0000222400000000, -0.0000586000000000,  0.0004076300000000 ]  - [  -0.0253823800000000,  0.0000756800000000,  0.0001699100000000 ]  - [  -0.0000284900000000,  0.0000039800000000, -0.0000187700000000 ]  - [   0.0000603200000000,  0.0047578200000000, -0.0039475200000000 ]  - [   0.0064892900000000, -0.0006114800000000,  0.0072733800000000 ]  - [   0.0000241500000000, -0.0000836800000000,  0.0001632400000000 ]  - [  -0.0000352600000000,  0.0000340600000000, -0.0013609700000000 ]  - [  -0.0006666400000000, -0.0032382500000000, -0.0028270800000000 ]  - [   0.0040449600000000,  0.0001796200000000,  0.0060531900000000 ]  - [   0.0000012600000000, -0.0000152200000000,  0.0000191300000000 ]  - [   0.0038819900000000,  0.0000391900000000, -0.0000149100000000 ]  - [   0.0000576800000000,  0.0000936000000000,  0.0002200400000000 ]  - [   0.0000809700000000,  0.0000633400000000,  0.0000659000000000 ]  - [  -0.0011892700000000,  0.0025982400000000, -0.0021396300000000 ]  - [  -0.0000149500000000, -0.0000247500000000,  0.0003537900000000 ]  - [   0.0000296800000000, -0.0000157800000000, -0.0002631400000000 ]  - [  -0.0000338200000000, -0.0000258500000000, -0.0002655600000000 ]  - [   0.0000021100000000,  0.0000073500000000,  0.0000151100000000 ]  - [   0.0000112600000000,  0.0000034700000000,  0.0000127900000000 ]  - [   0.0000322000000000,  0.0000159500000000,  0.0003608900000000 ]  - [  -0.0000138300000000,  0.0000283800000000,  0.0003563300000000 ]  - [   0.0000014100000000,  0.0000217400000000, -0.0002585100000000 ]  - [   0.0000559500000000,  0.0000324700000000,  0.0000016500000000 ]  - [   0.0191757400000000, -0.0008504800000000, -0.0000051600000000 ]  - [  -0.0000981300000000, -0.0000301200000000,  0.0000056900000000 ]  - [   0.0003185500000000,  0.0004264200000000,  0.0000819300000000 ]  - [  -0.0041023600000000,  0.0022886500000000,  0.0017036600000000 ]  - [   0.0018283000000000, -0.0042289200000000, -0.0011827900000000 ]  - [   0.0002003700000000, -0.0006524900000000,  0.0000078000000000 ]  - [  -0.0006540800000000, -0.0000246000000000, -0.0001231000000000 ]  - [   0.0043452500000000,  0.0044398200000000, -0.0005652300000000 ]  - [  -0.0087480700000000, -0.0018154800000000,  0.0053860900000000 ]  - [   0.0002224900000000,  0.0005139100000000,  0.0000342500000000 ]  - [  -0.0004746500000000, -0.0000055600000000,  0.0001174000000000 ]  - [  -0.0003348800000000,  0.0055429000000000, -0.0033688400000000 ]  - [   0.0018785400000000, -0.0053858200000000, -0.0023543900000000 ]  - [   0.0002833500000000, -0.0003846200000000,  0.0001550600000000 ]  - [   0.0000115500000000,  0.0000013200000000, -0.0000219300000000 ]  - [  -0.0000334600000000, -0.0000079300000000,  0.0000191800000000 ]  - [   0.0000184800000000, -0.0000205600000000,  0.0000182600000000 ]  - [  -0.0000224400000000,  0.0000181100000000, -0.0000378300000000 ]  - [   0.0000233000000000,  0.0000075800000000, -0.0000215000000000 ]  - [  -0.0000022100000000,  0.0000091900000000, -0.0000020100000000 ]- atom:    4  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0013322700000000,  0.0035552500000000,  0.0031352400000000 ]  - [  -0.0000641700000000,  0.0000990700000000,  0.0009231100000000 ]  - [  -0.0000981700000000,  0.0000316800000000, -0.0011209500000000 ]  - [   0.0251295900000000,  0.0000776900000000,  0.0001650400000000 ]  - [   0.0000337100000000,  0.0000042600000000, -0.0000155000000000 ]  - [  -0.0000387900000000, -0.0046938500000000,  0.0044726600000000 ]  - [  -0.0065713200000000,  0.0006427000000000, -0.0068634000000000 ]  - [   0.0000076200000000,  0.0001200300000000, -0.0008760500000000 ]  - [  -0.0000221500000000, -0.0000299100000000,  0.0006542900000000 ]  - [   0.0006889700000000,  0.0031886400000000,  0.0035312000000000 ]  - [  -0.0041029600000000, -0.0001633200000000, -0.0052769200000000 ]  - [  -0.0000055300000000,  0.0000070900000000,  0.0000146300000000 ]  - [  -0.0038753800000000,  0.0000389300000000, -0.0000100100000000 ]  - [  -0.0000087400000000, -0.0001085600000000, -0.0009337600000000 ]  - [  -0.0000649100000000, -0.0000112900000000, -0.0007886300000000 ]  - [   0.0012713300000000, -0.0025926400000000,  0.0028273100000000 ]  - [  -0.0000167400000000, -0.0000155400000000,  0.0003650000000000 ]  - [   0.0000291200000000, -0.0000094000000000, -0.0002574900000000 ]  - [  -0.0000330600000000, -0.0000272500000000, -0.0002648100000000 ]  - [  -0.0000064400000000, -0.0000148500000000,  0.0000129800000000 ]  - [  -0.0000081100000000,  0.0000038000000000,  0.0000129200000000 ]  - [   0.0000383900000000,  0.0000161600000000,  0.0003575900000000 ]  - [  -0.0000204600000000,  0.0000199900000000,  0.0003545000000000 ]  - [   0.0000012900000000,  0.0000182400000000, -0.0002687600000000 ]  - [  -0.0000568600000000, -0.0000350100000000,  0.0000006800000000 ]  - [  -0.0191741000000000,  0.0005509900000000, -0.0000069500000000 ]  - [   0.0001037000000000,  0.0000247200000000,  0.0000037100000000 ]  - [  -0.0003136400000000, -0.0004174900000000, -0.0001192900000000 ]  - [   0.0045139000000000, -0.0023044800000000, -0.0018253200000000 ]  - [  -0.0019354200000000,  0.0041401900000000,  0.0012071800000000 ]  - [  -0.0002142200000000,  0.0006622000000000, -0.0000379300000000 ]  - [   0.0006847100000000,  0.0000362500000000,  0.0001076400000000 ]  - [  -0.0044415400000000, -0.0043833300000000,  0.0005940800000000 ]  - [   0.0086903000000000,  0.0018394800000000, -0.0056504700000000 ]  - [  -0.0002461200000000, -0.0004976600000000,  0.0001635100000000 ]  - [   0.0005068400000000, -0.0000257200000000,  0.0000945500000000 ]  - [   0.0003874900000000, -0.0055147300000000,  0.0031399500000000 ]  - [  -0.0017930100000000,  0.0054038400000000,  0.0021605000000000 ]  - [  -0.0003111400000000,  0.0003702500000000,  0.0000616800000000 ]  - [  -0.0000071500000000,  0.0000194000000000, -0.0000398800000000 ]  - [   0.0000013100000000, -0.0000057100000000,  0.0000003900000000 ]  - [   0.0000014400000000,  0.0000017500000000,  0.0000039000000000 ]  - [   0.0000127000000000,  0.0000074200000000, -0.0000212700000000 ]  - [  -0.0000021700000000, -0.0000235500000000, -0.0000329300000000 ]  - [  -0.0000023800000000, -0.0000057300000000,  0.0000460800000000 ]- atom:    4  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0026417000000000,  0.0062316900000000,  0.0044022200000000 ]  - [  -0.0004393900000000,  0.0000117000000000,  0.0009864800000000 ]  - [   0.0002298300000000,  0.0003746700000000,  0.0009864800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0341846400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008413100000000 ]  - [  -0.0040759500000000, -0.0054036200000000,  0.0044022200000000 ]  - [   0.0067176500000000, -0.0008280600000000,  0.0044022200000000 ]  - [   0.0002095600000000, -0.0003863700000000,  0.0009864800000000 ]  - [  -0.0001324100000000,  0.0000211100000000,  0.0008298500000000 ]  - [  -0.0031405100000000,  0.0044163900000000,  0.0052943800000000 ]  - [   0.0053949600000000,  0.0005115700000000,  0.0052943800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008391700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0056246200000000 ]  - [   0.0000479200000000, -0.0001252200000000,  0.0008298500000000 ]  - [   0.0000844900000000,  0.0001041100000000,  0.0008298500000000 ]  - [  -0.0022544500000000, -0.0049279600000000,  0.0052943800000000 ]  - [   0.0000130900000000,  0.0000052400000000,  0.0014979500000000 ]  - [   0.0000457200000000, -0.0000470400000000,  0.0008834100000000 ]  - [  -0.0000635900000000, -0.0000160700000000,  0.0008834100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008393900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008400600000000 ]  - [  -0.0000110900000000,  0.0000087100000000,  0.0014979500000000 ]  - [  -0.0000020000000000, -0.0000139600000000,  0.0014979500000000 ]  - [   0.0000178800000000,  0.0000631100000000,  0.0008834100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0048251100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0342453500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0048722500000000 ]  - [  -0.0001375700000000, -0.0006892700000000, -0.0022352700000000 ]  - [   0.0060925200000000, -0.0028008400000000,  0.0097643500000000 ]  - [  -0.0054718600000000, -0.0038758600000000,  0.0097643500000000 ]  - [   0.0006657100000000,  0.0002254900000000, -0.0022352700000000 ]  - [  -0.0005281400000000,  0.0004637700000000, -0.0022352700000000 ]  - [  -0.0006206600000000,  0.0066767000000000,  0.0097643500000000 ]  - [   0.0088666000000000,  0.0031741400000000,  0.0055555200000000 ]  - [  -0.0002631500000000,  0.0004407700000000, -0.0021668200000000 ]  - [   0.0005132900000000,  0.0000075100000000, -0.0021668200000000 ]  - [  -0.0071821900000000,  0.0060916300000000,  0.0055555200000000 ]  - [  -0.0016844200000000, -0.0092657700000000,  0.0055555200000000 ]  - [  -0.0002501400000000, -0.0004482800000000, -0.0021668200000000 ]  - [  -0.0002904400000000, -0.0004961100000000, -0.0022497700000000 ]  - [  -0.0003008100000000,  0.0005379400000000, -0.0022298600000000 ]  - [   0.0006162800000000, -0.0000084600000000, -0.0022298600000000 ]  - [   0.0005748600000000, -0.0000034700000000, -0.0022497700000000 ]  - [  -0.0002844200000000,  0.0004995800000000, -0.0022497700000000 ]  - [  -0.0003154700000000, -0.0005294800000000, -0.0022298600000000 ]- atom:    4  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0026939700000000, -0.0063843000000000, -0.0038849600000000 ]  - [   0.0004900700000000, -0.0000586300000000, -0.0016984300000000 ]  - [  -0.0002958100000000, -0.0003951000000000, -0.0016984300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0342335500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008752600000000 ]  - [   0.0041819800000000,  0.0055251900000000, -0.0038849600000000 ]  - [  -0.0068759500000000,  0.0008591000000000, -0.0038849600000000 ]  - [  -0.0001942600000000,  0.0004537300000000, -0.0016984300000000 ]  - [   0.0000822500000000, -0.0000335200000000, -0.0015476800000000 ]  - [   0.0030749900000000, -0.0043797800000000, -0.0045308700000000 ]  - [  -0.0053305000000000, -0.0004731300000000, -0.0045308700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008080500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0055782700000000 ]  - [  -0.0000121000000000,  0.0000879900000000, -0.0015476800000000 ]  - [  -0.0000701600000000, -0.0000544800000000, -0.0015476800000000 ]  - [   0.0022555100000000,  0.0048529100000000, -0.0045308700000000 ]  - [  -0.0000340000000000, -0.0000630500000000, -0.0007877400000000 ]  - [   0.0000110600000000,  0.0000251100000000, -0.0014072800000000 ]  - [   0.0000162100000000, -0.0000221300000000, -0.0014072800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008051900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008194000000000 ]  - [   0.0000716000000000,  0.0000020800000000, -0.0007877400000000 ]  - [  -0.0000376000000000,  0.0000609700000000, -0.0007877400000000 ]  - [  -0.0000272700000000, -0.0000029800000000, -0.0014072800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0048233100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0341790700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0048698600000000 ]  - [   0.0001413800000000,  0.0007192500000000,  0.0022248000000000 ]  - [  -0.0060008900000000,  0.0028213700000000, -0.0098515500000000 ]  - [   0.0054438200000000,  0.0037862400000000, -0.0098515500000000 ]  - [  -0.0006935800000000, -0.0002371900000000,  0.0022248000000000 ]  - [   0.0005522000000000, -0.0004820700000000,  0.0022248000000000 ]  - [   0.0005570700000000, -0.0066076100000000, -0.0098515500000000 ]  - [  -0.0088312300000000, -0.0031411800000000, -0.0056541600000000 ]  - [   0.0002546000000000, -0.0004040000000000,  0.0023593200000000 ]  - [  -0.0004771700000000, -0.0000184900000000,  0.0023593200000000 ]  - [   0.0071359600000000, -0.0060774800000000, -0.0056541600000000 ]  - [   0.0016952700000000,  0.0092186600000000, -0.0056541600000000 ]  - [   0.0002225700000000,  0.0004224900000000,  0.0023593200000000 ]  - [   0.0003075400000000,  0.0005237500000000,  0.0022109400000000 ]  - [   0.0002829300000000, -0.0005185300000000,  0.0022376700000000 ]  - [  -0.0005905200000000,  0.0000142400000000,  0.0022376700000000 ]  - [  -0.0006073500000000,  0.0000044600000000,  0.0022109400000000 ]  - [   0.0002998100000000, -0.0005282200000000,  0.0022109400000000 ]  - [   0.0003075900000000,  0.0005042800000000,  0.0022376700000000 ]- atom:   25  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0004687300000000,  0.0002961100000000,  0.0035792500000000 ]  - [  -0.0039653900000000,  0.0146111300000000, -0.0081042200000000 ]  - [  -0.0024632700000000, -0.0164357300000000, -0.0092904800000000 ]  - [   0.0000531800000000, -0.0000378700000000, -0.0000097100000000 ]  - [   0.0191783600000000,  0.0005430900000000, -0.0000064600000000 ]  - [   0.0001682100000000,  0.0003719000000000, -0.0068398100000000 ]  - [  -0.0001671800000000, -0.0001894700000000,  0.0040626900000000 ]  - [   0.0237489600000000,  0.0004791200000000,  0.0165214000000000 ]  - [  -0.0000267900000000,  0.0000178900000000, -0.0003952500000000 ]  - [  -0.0000221000000000, -0.0000277500000000,  0.0003941600000000 ]  - [  -0.0000085900000000, -0.0000035100000000,  0.0003645200000000 ]  - [  -0.0001019900000000,  0.0000239300000000,  0.0000150700000000 ]  - [  -0.0000972200000000,  0.0000318700000000, -0.0000146700000000 ]  - [   0.0000298400000000, -0.0000146500000000, -0.0003520600000000 ]  - [  -0.0000079400000000,  0.0000128400000000, -0.0003292500000000 ]  - [   0.0000220800000000,  0.0000087900000000,  0.0003224800000000 ]  - [   0.0236497600000000,  0.0004259800000000,  0.0168877900000000 ]  - [  -0.0001057400000000, -0.0002115700000000,  0.0035527200000000 ]  - [   0.0001224900000000,  0.0003187300000000, -0.0074215200000000 ]  - [   0.0191734000000000,  0.0008611600000000,  0.0000027600000000 ]  - [   0.0000567600000000, -0.0000299000000000,  0.0000115800000000 ]  - [  -0.0024635500000000, -0.0164656800000000, -0.0086108200000000 ]  - [  -0.0040777800000000,  0.0147018500000000, -0.0074004400000000 ]  - [  -0.0004684100000000,  0.0003359100000000,  0.0030614800000000 ]  - [  -0.2145805000000000, -0.0000001900000000,  0.0000354300000000 ]  - [   0.0007358800000000, -0.0000005900000000, -0.0000020400000000 ]  - [   0.0007369400000000, -0.0000023000000000,  0.0000015800000000 ]  - [   0.0202755500000000,  0.0049542900000000,  0.0081991100000000 ]  - [   0.0014785300000000, -0.0025011900000000,  0.0004341800000000 ]  - [   0.0011410600000000,  0.0030634800000000,  0.0007285900000000 ]  - [   0.0286035300000000,  0.0006021200000000, -0.0160987100000000 ]  - [   0.0215993500000000, -0.0059291500000000,  0.0091520400000000 ]  - [  -0.0035348700000000, -0.0000439500000000, -0.0010917400000000 ]  - [  -0.0001028500000000,  0.0000344800000000, -0.0000752700000000 ]  - [  -0.0000486700000000, -0.0000954400000000,  0.0000138500000000 ]  - [   0.0000526900000000,  0.0000134200000000,  0.0001541900000000 ]  - [   0.0000176100000000,  0.0000418100000000, -0.0000506500000000 ]  - [  -0.0000288600000000, -0.0001160300000000, -0.0001824900000000 ]  - [  -0.0001339100000000,  0.0000111600000000,  0.0001382500000000 ]  - [  -0.0035241100000000, -0.0000207200000000, -0.0011432800000000 ]  - [   0.0213715400000000, -0.0055352200000000,  0.0088378500000000 ]  - [   0.0313860000000000,  0.0006648700000000, -0.0181315200000000 ]  - [   0.0011199400000000,  0.0030955800000000,  0.0006792400000000 ]  - [   0.0015113300000000, -0.0025234000000000,  0.0003913900000000 ]  - [   0.0201654800000000,  0.0046628100000000,  0.0080087800000000 ]- atom:   25  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0005940100000000,  0.0011251500000000,  0.0081726800000000 ]  - [  -0.0061518100000000, -0.0120365800000000,  0.0101009900000000 ]  - [  -0.0073480800000000,  0.0113459100000000,  0.0101009900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0048143000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0342385500000000 ]  - [  -0.0012714200000000, -0.0000481500000000,  0.0081726800000000 ]  - [   0.0006774000000000, -0.0010770100000000,  0.0081726800000000 ]  - [   0.0134998900000000,  0.0006906700000000,  0.0101009900000000 ]  - [   0.0001124200000000,  0.0001873200000000,  0.0063138600000000 ]  - [   0.0000930200000000, -0.0002350000000000,  0.0070312300000000 ]  - [  -0.0002500300000000,  0.0000369500000000,  0.0070312300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0048883400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0048554700000000 ]  - [  -0.0002184300000000,  0.0000037000000000,  0.0063138600000000 ]  - [   0.0001060100000000, -0.0001910200000000,  0.0063138600000000 ]  - [   0.0001570100000000,  0.0001980600000000,  0.0070312300000000 ]  - [   0.0132618800000000,  0.0006224900000000,  0.0108150100000000 ]  - [   0.0007231900000000, -0.0010846600000000,  0.0076371400000000 ]  - [  -0.0013009400000000, -0.0000839700000000,  0.0076371400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0341800500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0048365100000000 ]  - [  -0.0071700300000000,  0.0111738800000000,  0.0108150100000000 ]  - [  -0.0060918500000000, -0.0117963700000000,  0.0108150100000000 ]  - [   0.0005777500000000,  0.0011686300000000,  0.0076371400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.3079585700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0284197300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0284233200000000 ]  - [   0.0113249200000000,  0.0221991200000000,  0.0515106400000000 ]  - [  -0.0015149100000000,  0.0033276000000000, -0.0130433000000000 ]  - [   0.0036392400000000, -0.0003518400000000, -0.0130433000000000 ]  - [  -0.0248874600000000, -0.0012918900000000,  0.0515106400000000 ]  - [   0.0135625400000000, -0.0209072300000000,  0.0515106400000000 ]  - [  -0.0021243300000000, -0.0029757500000000, -0.0130433000000000 ]  - [  -0.0017451100000000, -0.0030042600000000, -0.0131286100000000 ]  - [  -0.0017390700000000,  0.0030523400000000, -0.0129365700000000 ]  - [   0.0035129300000000, -0.0000200900000000, -0.0129365700000000 ]  - [   0.0034743200000000, -0.0000091800000000, -0.0131286100000000 ]  - [  -0.0017292200000000,  0.0030134400000000, -0.0131286100000000 ]  - [  -0.0017738700000000, -0.0030322400000000, -0.0129365700000000 ]  - [  -0.0021046700000000, -0.0029478600000000, -0.0130852600000000 ]  - [   0.0127894900000000, -0.0196648000000000,  0.0506586900000000 ]  - [  -0.0234249600000000, -0.0012436200000000,  0.0506586900000000 ]  - [   0.0036052600000000, -0.0003487600000000, -0.0130852600000000 ]  - [  -0.0015005900000000,  0.0032966300000000, -0.0130852600000000 ]  - [   0.0106354700000000,  0.0209084200000000,  0.0506586900000000 ]- atom:   28  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0083530600000000, -0.0004413000000000, -0.0009238500000000 ]  - [   0.0125041900000000,  0.0070332900000000,  0.0044155600000000 ]  - [   0.0076151400000000,  0.0016576100000000, -0.0006143000000000 ]  - [   0.0003155000000000,  0.0005950600000000, -0.0001506500000000 ]  - [   0.0043687900000000,  0.0027809600000000, -0.0006242700000000 ]  - [  -0.0012483400000000, -0.0009765800000000,  0.0012276500000000 ]  - [  -0.0009070200000000,  0.0008705500000000,  0.0005493300000000 ]  - [   0.0079970700000000, -0.0025940200000000,  0.0020840600000000 ]  - [  -0.0000229200000000, -0.0000164300000000, -0.0007718500000000 ]  - [  -0.0000014200000000, -0.0000180200000000, -0.0001672100000000 ]  - [   0.0000027400000000,  0.0000218400000000, -0.0001439500000000 ]  - [   0.0000058800000000, -0.0000210500000000, -0.0002848900000000 ]  - [   0.0003007600000000, -0.0004608400000000, -0.0002511400000000 ]  - [   0.0000383900000000, -0.0000069100000000, -0.0007622900000000 ]  - [   0.0000093700000000,  0.0000435200000000, -0.0007851000000000 ]  - [   0.0000125300000000, -0.0000160500000000,  0.0001088300000000 ]  - [  -0.0010072000000000, -0.0003737500000000,  0.0002037900000000 ]  - [   0.0001384000000000,  0.0000540300000000, -0.0012702600000000 ]  - [  -0.0000426900000000, -0.0002253500000000, -0.0001288100000000 ]  - [  -0.0086719600000000, -0.0007045600000000,  0.0088722600000000 ]  - [   0.0000037900000000,  0.0000171000000000, -0.0003008500000000 ]  - [  -0.0002345000000000,  0.0012040500000000, -0.0000121700000000 ]  - [   0.0013176000000000, -0.0003763800000000,  0.0009135500000000 ]  - [   0.0001507300000000,  0.0001203000000000, -0.0007073600000000 ]  - [   0.0202189700000000,  0.0047456700000000,  0.0108134800000000 ]  - [  -0.0035252800000000, -0.0003909600000000, -0.0021202000000000 ]  - [  -0.0001184800000000,  0.0000593400000000, -0.0017616700000000 ]  - [  -0.0893065400000000, -0.0249809500000000, -0.0279321600000000 ]  - [   0.0003984400000000,  0.0015782200000000,  0.0036089900000000 ]  - [   0.0028462100000000, -0.0001966600000000, -0.0051796500000000 ]  - [   0.0202364200000000,  0.0063413000000000, -0.0018809300000000 ]  - [   0.0083395200000000,  0.0005566400000000, -0.0025856900000000 ]  - [   0.0009575400000000, -0.0015507300000000,  0.0045712600000000 ]  - [   0.0004233700000000, -0.0000435500000000,  0.0007610300000000 ]  - [   0.0000997600000000, -0.0001619600000000,  0.0009150100000000 ]  - [  -0.0001965300000000, -0.0000316100000000,  0.0009006300000000 ]  - [  -0.0000962200000000,  0.0000533300000000,  0.0004846700000000 ]  - [   0.0004480400000000,  0.0000996700000000,  0.0007894500000000 ]  - [   0.0001401400000000,  0.0001778100000000,  0.0009210800000000 ]  - [   0.0004151200000000,  0.0004255200000000,  0.0008904400000000 ]  - [   0.0043854600000000,  0.0005450400000000,  0.0082201100000000 ]  - [  -0.0017913000000000, -0.0041179300000000, -0.0052152400000000 ]  - [  -0.0001760500000000, -0.0004439900000000,  0.0005847200000000 ]  - [  -0.0000624600000000, -0.0000463500000000,  0.0008653800000000 ]  - [   0.0053659900000000,  0.0092150900000000,  0.0018732200000000 ]- atom:   28  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0083544300000000,  0.0004038100000000,  0.0014315200000000 ]  - [  -0.0122766200000000, -0.0066085200000000, -0.0049399600000000 ]  - [  -0.0088436400000000, -0.0015925700000000,  0.0002766200000000 ]  - [  -0.0003209300000000, -0.0006028200000000,  0.0001296800000000 ]  - [  -0.0044177600000000, -0.0026705400000000,  0.0005535100000000 ]  - [   0.0013030200000000,  0.0010439800000000, -0.0007250100000000 ]  - [   0.0008529100000000, -0.0008648700000000, -0.0000486100000000 ]  - [  -0.0076436700000000,  0.0021835600000000, -0.0026096100000000 ]  - [  -0.0000255700000000,  0.0000254100000000,  0.0000539000000000 ]  - [  -0.0000124900000000, -0.0000236600000000,  0.0008911200000000 ]  - [  -0.0000375000000000, -0.0000132600000000,  0.0008599000000000 ]  - [  -0.0000100100000000,  0.0000134400000000,  0.0003166200000000 ]  - [  -0.0002960400000000,  0.0004707700000000,  0.0002196100000000 ]  - [   0.0000035200000000, -0.0000064400000000,  0.0000460600000000 ]  - [   0.0000055600000000, -0.0000036600000000,  0.0000600100000000 ]  - [   0.0000354200000000,  0.0000070800000000,  0.0006085500000000 ]  - [   0.0009779100000000,  0.0003434700000000,  0.0005127900000000 ]  - [  -0.0000820400000000, -0.0000754600000000,  0.0007528500000000 ]  - [  -0.0000157900000000,  0.0001716200000000, -0.0003990800000000 ]  - [   0.0087635300000000,  0.0006943600000000, -0.0088247800000000 ]  - [   0.0000000700000000, -0.0000094500000000,  0.0003194100000000 ]  - [   0.0003065900000000, -0.0011765400000000,  0.0007272400000000 ]  - [  -0.0013584700000000,  0.0004118500000000, -0.0002260200000000 ]  - [  -0.0001546900000000, -0.0000787600000000,  0.0001740600000000 ]  - [  -0.0202203900000000, -0.0052497300000000, -0.0111397000000000 ]  - [   0.0035374200000000,  0.0003874500000000,  0.0021090300000000 ]  - [   0.0001182300000000, -0.0000601800000000,  0.0017574900000000 ]  - [   0.0900431200000000,  0.0252466900000000,  0.0276030200000000 ]  - [  -0.0004506200000000, -0.0015714400000000, -0.0035673600000000 ]  - [  -0.0028076600000000,  0.0001761900000000,  0.0052651100000000 ]  - [  -0.0203331300000000, -0.0065505500000000,  0.0018521400000000 ]  - [  -0.0083073600000000, -0.0003590300000000,  0.0025678600000000 ]  - [  -0.0009976900000000,  0.0015324200000000, -0.0045063400000000 ]  - [  -0.0003928600000000,  0.0000706900000000, -0.0009731100000000 ]  - [  -0.0001238700000000,  0.0001865700000000, -0.0007174400000000 ]  - [   0.0002324800000000, -0.0000016300000000, -0.0006915500000000 ]  - [   0.0000617700000000, -0.0000271800000000, -0.0006867900000000 ]  - [  -0.0004315000000000, -0.0001214600000000, -0.0009871500000000 ]  - [  -0.0001683200000000, -0.0001986600000000, -0.0007031100000000 ]  - [  -0.0004006500000000, -0.0004026300000000, -0.0009416200000000 ]  - [  -0.0044039900000000, -0.0005415200000000, -0.0082818600000000 ]  - [   0.0018042200000000,  0.0041187400000000,  0.0052266500000000 ]  - [   0.0001472000000000,  0.0004702600000000, -0.0006291900000000 ]  - [   0.0000955500000000,  0.0000305300000000, -0.0009042100000000 ]  - [  -0.0054008600000000, -0.0091783300000000, -0.0018122800000000 ]- atom:   28  displacement:    [  -0.0049999999922958,  0.0086602540422924,  0.0000000000000000 ]  forces:  - [  -0.0044275700000000,  0.0065494800000000, -0.0013651600000000 ]  - [  -0.0005550900000000,  0.0114009300000000,  0.0032621900000000 ]  - [  -0.0022598100000000,  0.0050202100000000,  0.0005571300000000 ]  - [   0.0002027900000000, -0.0006625600000000, -0.0005504100000000 ]  - [   0.0015254500000000, -0.0038402000000000,  0.0059261700000000 ]  - [   0.0007862800000000, -0.0007883900000000,  0.0000807800000000 ]  - [   0.0002245100000000, -0.0020073400000000,  0.0010919100000000 ]  - [  -0.0063687100000000,  0.0125250700000000, -0.0028223200000000 ]  - [  -0.0000312800000000, -0.0000045300000000, -0.0007677200000000 ]  - [  -0.0000278800000000, -0.0000141100000000,  0.0001240700000000 ]  - [   0.0000016600000000, -0.0000073000000000, -0.0001040700000000 ]  - [  -0.0000139000000000, -0.0000008300000000, -0.0002761100000000 ]  - [  -0.0004692000000000,  0.0000017200000000, -0.0002759000000000 ]  - [   0.0000352500000000, -0.0000161700000000, -0.0007668300000000 ]  - [  -0.0000104200000000,  0.0000265200000000, -0.0007578600000000 ]  - [   0.0000144000000000, -0.0000103700000000, -0.0001318300000000 ]  - [   0.0009845800000000,  0.0002516300000000,  0.0002123700000000 ]  - [  -0.0000555000000000, -0.0000841400000000, -0.0001008000000000 ]  - [  -0.0000394300000000,  0.0001512400000000, -0.0012152200000000 ]  - [   0.0028088800000000,  0.0037042300000000, -0.0016797700000000 ]  - [   0.0000109600000000, -0.0000107300000000, -0.0002823500000000 ]  - [   0.0003045400000000, -0.0010615400000000,  0.0003468600000000 ]  - [  -0.0011566400000000,  0.0008657600000000,  0.0011670100000000 ]  - [   0.0000087900000000,  0.0001897200000000, -0.0007515300000000 ]  - [  -0.0061890400000000,  0.0211811700000000,  0.0129454600000000 ]  - [   0.0017373600000000,  0.0027276900000000, -0.0015094300000000 ]  - [   0.0000789700000000,  0.0000033100000000, -0.0017345300000000 ]  - [   0.0230277100000000, -0.0968615300000000, -0.0200642400000000 ]  - [   0.0023928800000000,  0.0000540800000000,  0.0031520300000000 ]  - [  -0.0028098900000000, -0.0011673300000000,  0.0042611700000000 ]  - [  -0.0002943900000000,  0.0094815800000000, -0.0030599300000000 ]  - [  -0.0080304600000000,  0.0226731300000000, -0.0024208300000000 ]  - [  -0.0018338200000000,  0.0005168400000000, -0.0051090900000000 ]  - [   0.0001700500000000,  0.0002245600000000,  0.0006784000000000 ]  - [   0.0000833300000000, -0.0001805000000000,  0.0008767000000000 ]  - [  -0.0001876100000000, -0.0000073800000000,  0.0008889200000000 ]  - [  -0.0003282600000000, -0.0002548500000000,  0.0007942300000000 ]  - [  -0.0002282700000000, -0.0004219300000000,  0.0006519000000000 ]  - [   0.0000699200000000,  0.0001624800000000,  0.0009015900000000 ]  - [  -0.0002426100000000, -0.0000110200000000,  0.0005967800000000 ]  - [  -0.0024059300000000, -0.0037682000000000, -0.0049327500000000 ]  - [  -0.0019832100000000,  0.0039259800000000,  0.0079069500000000 ]  - [  -0.0002145000000000,  0.0004035700000000,  0.0008936000000000 ]  - [   0.0004057700000000, -0.0002362400000000,  0.0008162700000000 ]  - [   0.0052893300000000,  0.0093763200000000,  0.0025461800000000 ]- atom:   28  displacement:    [   0.0049999999922958, -0.0086602540422924,  0.0000000000000000 ]  forces:  - [   0.0044303200000000, -0.0065888600000000,  0.0018767400000000 ]  - [   0.0008171700000000, -0.0113011000000000, -0.0038898000000000 ]  - [   0.0017982400000000, -0.0050206100000000, -0.0011543200000000 ]  - [  -0.0002078900000000,  0.0006572800000000,  0.0005276400000000 ]  - [  -0.0017167200000000,  0.0042257500000000, -0.0061626400000000 ]  - [  -0.0007428800000000,  0.0008372500000000,  0.0004322200000000 ]  - [  -0.0002657900000000,  0.0020293100000000, -0.0006002900000000 ]  - [   0.0072381300000000, -0.0135093500000000,  0.0025727800000000 ]  - [  -0.0000173400000000,  0.0000131700000000,  0.0000522100000000 ]  - [   0.0000146000000000, -0.0000283300000000,  0.0005988200000000 ]  - [  -0.0000447700000000,  0.0000219200000000,  0.0008185700000000 ]  - [   0.0000101500000000, -0.0000075000000000,  0.0003066200000000 ]  - [   0.0004758800000000,  0.0000078400000000,  0.0002443300000000 ]  - [   0.0000078600000000, -0.0000004200000000,  0.0000518200000000 ]  - [   0.0000222000000000,  0.0000174300000000,  0.0000344800000000 ]  - [   0.0000353300000000,  0.0000027000000000,  0.0008469800000000 ]  - [  -0.0010201700000000, -0.0002863400000000,  0.0005063600000000 ]  - [   0.0001120100000000,  0.0000607700000000, -0.0004195700000000 ]  - [  -0.0000198400000000, -0.0002097400000000,  0.0006893800000000 ]  - [  -0.0027414800000000, -0.0037283700000000,  0.0016995200000000 ]  - [  -0.0000067900000000,  0.0000174100000000,  0.0003026500000000 ]  - [  -0.0002249200000000,  0.0010959000000000,  0.0003715800000000 ]  - [   0.0011142000000000, -0.0008265400000000, -0.0004745800000000 ]  - [  -0.0000087900000000, -0.0001461700000000,  0.0002179600000000 ]  - [   0.0057061400000000, -0.0215674400000000, -0.0133990700000000 ]  - [  -0.0017376600000000, -0.0027376900000000,  0.0015050500000000 ]  - [  -0.0000784700000000, -0.0000039200000000,  0.0017344200000000 ]  - [  -0.0231588800000000,  0.0978257200000000,  0.0201502400000000 ]  - [  -0.0024263500000000, -0.0000586600000000, -0.0031251700000000 ]  - [   0.0028566800000000,  0.0011255100000000, -0.0042169700000000 ]  - [   0.0004184800000000, -0.0093387100000000,  0.0030461800000000 ]  - [   0.0079109900000000, -0.0228574100000000,  0.0024067900000000 ]  - [   0.0018133300000000, -0.0005206800000000,  0.0051909900000000 ]  - [  -0.0001412100000000, -0.0002007300000000, -0.0008839400000000 ]  - [  -0.0001094500000000,  0.0002063300000000, -0.0006851600000000 ]  - [   0.0002261400000000, -0.0000242000000000, -0.0006901000000000 ]  - [   0.0002908300000000,  0.0002869400000000, -0.0009895200000000 ]  - [   0.0002548000000000,  0.0003976600000000, -0.0008405400000000 ]  - [  -0.0000988300000000, -0.0001860800000000, -0.0006932400000000 ]  - [   0.0002608800000000,  0.0000333800000000, -0.0006444900000000 ]  - [   0.0023940800000000,  0.0037730300000000,  0.0049374400000000 ]  - [   0.0020052500000000, -0.0039203700000000, -0.0079746900000000 ]  - [   0.0001825700000000, -0.0003825400000000, -0.0009337600000000 ]  - [  -0.0003726700000000,  0.0002246600000000, -0.0008493900000000 ]  - [  -0.0052553900000000, -0.0094082300000000, -0.0024945500000000 ]- atom:   28  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0004984300000000,  0.0003650500000000,  0.0077916000000000 ]  - [   0.0024693700000000,  0.0033464100000000,  0.0129774400000000 ]  - [   0.0005790600000000,  0.0000766700000000,  0.0115288800000000 ]  - [   0.0000938100000000, -0.0000829400000000, -0.0022460700000000 ]  - [  -0.0006158300000000,  0.0017945300000000,  0.0097204900000000 ]  - [   0.0004226300000000,  0.0000840900000000,  0.0029263300000000 ]  - [   0.0000745500000000,  0.0005709000000000,  0.0028669700000000 ]  - [   0.0006993300000000, -0.0004470800000000,  0.0122388600000000 ]  - [  -0.0000831800000000, -0.0000874800000000, -0.0034234700000000 ]  - [  -0.0000408900000000,  0.0000550000000000, -0.0027249300000000 ]  - [   0.0000971600000000,  0.0000220800000000, -0.0027142000000000 ]  - [   0.0000042600000000,  0.0000038500000000, -0.0022151800000000 ]  - [   0.0000527500000000, -0.0000388900000000, -0.0022794300000000 ]  - [   0.0001268000000000, -0.0000153900000000, -0.0033989000000000 ]  - [  -0.0000316100000000,  0.0001257500000000, -0.0034271900000000 ]  - [  -0.0000564300000000, -0.0000928200000000, -0.0026613300000000 ]  - [  -0.0000075700000000, -0.0000946700000000, -0.0012227300000000 ]  - [   0.0002062500000000,  0.0001779300000000, -0.0033036900000000 ]  - [   0.0000081200000000,  0.0001997800000000, -0.0033062100000000 ]  - [   0.0055480700000000,  0.0005726000000000,  0.0055565600000000 ]  - [  -0.0000192700000000,  0.0000045200000000, -0.0022238400000000 ]  - [   0.0001019500000000,  0.0000551600000000, -0.0012254100000000 ]  - [  -0.0000395700000000,  0.0002111400000000, -0.0048168100000000 ]  - [  -0.0000243600000000, -0.0000054400000000, -0.0034476700000000 ]  - [   0.0077272200000000,  0.0143611800000000,  0.0506518900000000 ]  - [  -0.0011209200000000, -0.0001694800000000, -0.0130704500000000 ]  - [   0.0000351100000000, -0.0000804400000000, -0.0130395500000000 ]  - [  -0.0274030600000000, -0.0386389600000000, -0.1049581700000000 ]  - [   0.0042368000000000,  0.0035970600000000,  0.0059047800000000 ]  - [  -0.0067361400000000,  0.0002454700000000,  0.0059185400000000 ]  - [   0.0049985200000000, -0.0000798800000000, -0.0184804000000000 ]  - [  -0.0030344100000000,  0.0039377900000000, -0.0184809200000000 ]  - [   0.0045491100000000, -0.0033338200000000,  0.0065309900000000 ]  - [   0.0009347000000000,  0.0012503900000000,  0.0059365200000000 ]  - [   0.0007804100000000, -0.0013699800000000,  0.0060660100000000 ]  - [  -0.0015932100000000,  0.0000038400000000,  0.0060778100000000 ]  - [  -0.0017320800000000,  0.0000372600000000,  0.0056976200000000 ]  - [   0.0009179700000000, -0.0012261400000000,  0.0059385300000000 ]  - [   0.0008079700000000,  0.0013870500000000,  0.0061213400000000 ]  - [   0.0008722700000000,  0.0014053800000000,  0.0060151700000000 ]  - [   0.0078672400000000,  0.0014300800000000,  0.0072638400000000 ]  - [  -0.0032850000000000,  0.0075503100000000,  0.0072689500000000 ]  - [  -0.0016389500000000,  0.0000971700000000,  0.0060132700000000 ]  - [   0.0008981000000000, -0.0011947200000000,  0.0057778700000000 ]  - [   0.0018545000000000,  0.0039896900000000,  0.0098762700000000 ]- atom:   28  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0005352100000000, -0.0004090900000000, -0.0060952100000000 ]  - [  -0.0023420400000000, -0.0032633700000000, -0.0136813800000000 ]  - [  -0.0007525900000000, -0.0000896400000000, -0.0121776300000000 ]  - [  -0.0000968200000000,  0.0000722200000000,  0.0022169200000000 ]  - [   0.0005390100000000, -0.0016189900000000, -0.0099000200000000 ]  - [  -0.0003558000000000, -0.0000265100000000, -0.0023576400000000 ]  - [  -0.0001297400000000, -0.0005395900000000, -0.0023085500000000 ]  - [  -0.0005883400000000,  0.0003970700000000, -0.0129017500000000 ]  - [   0.0000318400000000,  0.0000954200000000,  0.0027085700000000 ]  - [   0.0000264200000000, -0.0000984300000000,  0.0034452300000000 ]  - [  -0.0001398800000000, -0.0000075100000000,  0.0034290500000000 ]  - [  -0.0000100700000000, -0.0000121900000000,  0.0022456500000000 ]  - [  -0.0000458100000000,  0.0000511500000000,  0.0022440000000000 ]  - [  -0.0000830000000000, -0.0000007600000000,  0.0026857700000000 ]  - [   0.0000457600000000, -0.0000802300000000,  0.0027062400000000 ]  - [   0.0001083400000000,  0.0000851000000000,  0.0033731700000000 ]  - [  -0.0000265300000000,  0.0000621000000000,  0.0019291200000000 ]  - [  -0.0001529200000000, -0.0002026300000000,  0.0027858000000000 ]  - [  -0.0000700700000000, -0.0002566900000000,  0.0027767600000000 ]  - [  -0.0054858000000000, -0.0005777800000000, -0.0056513500000000 ]  - [   0.0000225900000000,  0.0000002400000000,  0.0022408100000000 ]  - [  -0.0000219600000000, -0.0000278500000000,  0.0019330300000000 ]  - [  -0.0000053500000000, -0.0001725500000000,  0.0055489400000000 ]  - [   0.0000246400000000,  0.0000464000000000,  0.0029146300000000 ]  - [  -0.0084872400000000, -0.0157759300000000, -0.0515139400000000 ]  - [   0.0011133600000000,  0.0001664500000000,  0.0130588300000000 ]  - [  -0.0000317600000000,  0.0000782600000000,  0.0130295200000000 ]  - [   0.0281416700000000,  0.0398947500000000,  0.1048256600000000 ]  - [  -0.0042417100000000, -0.0035607000000000, -0.0058529700000000 ]  - [   0.0067218000000000, -0.0002674500000000, -0.0058470500000000 ]  - [  -0.0049999000000000,  0.0001134400000000,  0.0184723500000000 ]  - [   0.0030891700000000, -0.0039110300000000,  0.0184745500000000 ]  - [  -0.0045281200000000,  0.0032940700000000, -0.0064434100000000 ]  - [  -0.0009021200000000, -0.0012325500000000, -0.0061527900000000 ]  - [  -0.0008036800000000,  0.0013878500000000, -0.0058633500000000 ]  - [   0.0016166500000000, -0.0000358400000000, -0.0058602400000000 ]  - [   0.0016973400000000, -0.0000159200000000, -0.0059024200000000 ]  - [  -0.0008991000000000,  0.0012161200000000, -0.0061386600000000 ]  - [  -0.0008266500000000, -0.0014028800000000, -0.0059022000000000 ]  - [  -0.0008588200000000, -0.0013899900000000, -0.0060756000000000 ]  - [  -0.0080211100000000, -0.0014457100000000, -0.0073191200000000 ]  - [   0.0033604600000000, -0.0076724600000000, -0.0073147000000000 ]  - [   0.0016173200000000, -0.0000719900000000, -0.0060646500000000 ]  - [  -0.0008738900000000,  0.0011825900000000, -0.0058200700000000 ]  - [  -0.0018403100000000, -0.0039770000000000, -0.0098998900000000 ]