# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/a6edc4ad-867c-4daf-b00b-b057120fbb93/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 Cs7Cd3Br13 / I4/mcm (140) / materials id 667295](https://mdr.nims.go.jp/datasets/27b5678b-5163-4445-b450-279143802e51) ## 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: "I4/mcm" number: 140 Hall_symbol: "-I 4 2c"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ -8.912490640000000, 8.912490640000000, 5.551274830000000 ] # a - [ 8.912490640000000, -8.912490640000000, 5.551274830000000 ] # b - [ 8.912490640000000, 8.912490640000000, -5.551274830000000 ] # c points: - symbol: Cs # 1 coordinates: [ 0.950622760000000, 0.750000000000000, 0.200622760000000 ] mass: 132.905452 - symbol: Cs # 2 coordinates: [ 0.712177530000000, 0.787822470000000, 0.500000000000000 ] mass: 132.905452 - symbol: Cs # 3 coordinates: [ 0.250000000000000, 0.049377240000000, 0.799377240000000 ] mass: 132.905452 - symbol: Cs # 4 coordinates: [ 0.049377240000000, 0.250000000000000, 0.799377240000000 ] mass: 132.905452 - symbol: Cs # 5 coordinates: [ 0.212177530000000, 0.712177530000000, 0.924355060000000 ] mass: 132.905452 - symbol: Cs # 6 coordinates: [ 0.750000000000000, 0.950622760000000, 0.200622760000000 ] mass: 132.905452 - symbol: Cs # 7 coordinates: [ 0.250000000000000, 0.450622760000000, 0.200622760000000 ] mass: 132.905452 - symbol: Cs # 8 coordinates: [ 0.450622760000000, 0.250000000000000, 0.200622760000000 ] mass: 132.905452 - symbol: Cs # 9 coordinates: [ 0.787822470000000, 0.287822470000000, 0.075644940000000 ] mass: 132.905452 - symbol: Cs # 10 coordinates: [ 0.750000000000000, 0.549377240000000, 0.799377240000000 ] mass: 132.905452 - symbol: Cs # 11 coordinates: [ 0.250000000000000, 0.750000000000000, 0.500000000000000 ] mass: 132.905452 - symbol: Cs # 12 coordinates: [ 0.549377240000000, 0.750000000000000, 0.799377240000000 ] mass: 132.905452 - symbol: Cs # 13 coordinates: [ 0.287822470000000, 0.212177530000000, 0.500000000000000 ] mass: 132.905452 - symbol: Cs # 14 coordinates: [ 0.750000000000000, 0.250000000000000, 0.500000000000000 ] mass: 132.905452 - symbol: Cd # 15 coordinates: [ 0.626877960000000, 0.126877960000000, 0.753755920000000 ] mass: 112.411000 - symbol: Cd # 16 coordinates: [ 0.126877960000000, 0.373122040000000, 0.500000000000000 ] mass: 112.411000 - symbol: Cd # 17 coordinates: [ 0.373122040000000, 0.873122040000000, 0.246244080000000 ] mass: 112.411000 - symbol: Cd # 18 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 112.411000 - symbol: Cd # 19 coordinates: [ 0.873122040000000, 0.626877960000000, 0.500000000000000 ] mass: 112.411000 - symbol: Cd # 20 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 112.411000 - symbol: Br # 21 coordinates: [ 0.014815560000000, 0.657495930000000, 0.672311490000000 ] mass: 79.904000 - symbol: Br # 22 coordinates: [ 0.890249360000000, 0.110861910000000, 0.001111270000000 ] mass: 79.904000 - symbol: Br # 23 coordinates: [ 0.621309950000000, 0.473999810000000, 0.500000000000000 ] mass: 79.904000 - symbol: Br # 24 coordinates: [ 0.526000190000000, 0.026000190000000, 0.147310140000000 ] mass: 79.904000 - symbol: Br # 25 coordinates: [ 0.157495930000000, 0.514815560000000, 0.672311490000000 ] mass: 79.904000 - symbol: Br # 26 coordinates: [ 0.985184440000000, 0.342504070000000, 0.327688510000000 ] mass: 79.904000 - symbol: Br # 27 coordinates: [ 0.878690050000000, 0.378690050000000, 0.852689860000000 ] mass: 79.904000 - symbol: Br # 28 coordinates: [ 0.889138090000000, 0.890249360000000, 0.779387450000000 ] mass: 79.904000 - symbol: Br # 29 coordinates: [ 0.514815560000000, 0.842504070000000, 0.357319630000000 ] mass: 79.904000 - symbol: Br # 30 coordinates: [ 0.389138090000000, 0.609750640000000, 0.998888730000000 ] mass: 79.904000 - symbol: Br # 31 coordinates: [ 0.390249360000000, 0.389138090000000, 0.779387450000000 ] mass: 79.904000 - symbol: Br # 32 coordinates: [ 0.610861910000000, 0.390249360000000, 0.001111270000000 ] mass: 79.904000 - symbol: Br # 33 coordinates: [ 0.378690050000000, 0.526000190000000, 0.500000000000000 ] mass: 79.904000 - symbol: Br # 34 coordinates: [ 0.121309950000000, 0.621309950000000, 0.147310140000000 ] mass: 79.904000 - symbol: Br # 35 coordinates: [ 0.657495930000000, 0.985184440000000, 0.642680370000000 ] mass: 79.904000 - symbol: Br # 36 coordinates: [ 0.842504070000000, 0.485184440000000, 0.327688510000000 ] mass: 79.904000 - symbol: Br # 37 coordinates: [ 0.342504070000000, 0.014815560000000, 0.357319630000000 ] mass: 79.904000 - symbol: Br # 38 coordinates: [ 0.750000000000000, 0.750000000000000, 0.000000000000000 ] mass: 79.904000 - symbol: Br # 39 coordinates: [ 0.250000000000000, 0.250000000000000, 0.000000000000000 ] mass: 79.904000 - symbol: Br # 40 coordinates: [ 0.473999810000000, 0.973999810000000, 0.852689860000000 ] mass: 79.904000 - symbol: Br # 41 coordinates: [ 0.026000190000000, 0.878690050000000, 0.500000000000000 ] mass: 79.904000 - symbol: Br # 42 coordinates: [ 0.109750640000000, 0.889138090000000, 0.998888730000000 ] mass: 79.904000 - symbol: Br # 43 coordinates: [ 0.110861910000000, 0.109750640000000, 0.220612550000000 ] mass: 79.904000 - symbol: Br # 44 coordinates: [ 0.609750640000000, 0.610861910000000, 0.220612550000000 ] mass: 79.904000 - symbol: Br # 45 coordinates: [ 0.485184440000000, 0.157495930000000, 0.642680370000000 ] mass: 79.904000 - symbol: Br # 46 coordinates: [ 0.973999810000000, 0.121309950000000, 0.500000000000000 ] mass: 79.904000 reciprocal_lattice: # without 2pi - [ 0.000000000000000, 0.056101040685076, 0.090069401229771 ] # a* - [ 0.056101040685076, 0.000000000000000, 0.090069401229771 ] # b* - [ 0.056101040685076, 0.056101040685076, 0.000000000000000 ] # c*unit_cell: lattice: - [ 17.824981279999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 17.824981279999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.102549659999999 ] # c points: - symbol: Cs # 1 coordinates: [ 0.000000000000000, 0.200622760000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 2 coordinates: [ 0.787822470000000, 0.712177530000000, 0.000000000000000 ] mass: 132.905452 reduced_to: 2 - symbol: Cs # 3 coordinates: [ 0.299377240000000, 0.500000000000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 3 - symbol: Cs # 4 coordinates: [ 0.000000000000000, 0.799377240000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 4 - symbol: Cs # 5 coordinates: [ 0.212177530000000, 0.712177530000000, 0.500000000000000 ] mass: 132.905452 reduced_to: 5 - symbol: Cs # 6 coordinates: [ 0.700622760000000, 0.500000000000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 6 - symbol: Cs # 7 coordinates: [ 0.700622760000000, 0.500000000000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 7 - symbol: Cs # 8 coordinates: [ 0.000000000000000, 0.200622760000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 8 - symbol: Cs # 9 coordinates: [ 0.787822470000000, 0.287822470000000, 0.500000000000000 ] mass: 132.905452 reduced_to: 9 - symbol: Cs # 10 coordinates: [ 0.299377240000000, 0.500000000000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 10 - symbol: Cs # 11 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 11 - symbol: Cs # 12 coordinates: [ 0.000000000000000, 0.799377240000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 12 - symbol: Cs # 13 coordinates: [ 0.212177530000000, 0.287822470000000, 0.000000000000000 ] mass: 132.905452 reduced_to: 13 - symbol: Cs # 14 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 14 - symbol: Cs # 15 coordinates: [ 0.500000000000000, 0.700622760000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 16 coordinates: [ 0.287822470000000, 0.212177530000000, 0.500000000000000 ] mass: 132.905452 reduced_to: 2 - symbol: Cs # 17 coordinates: [ 0.799377240000000, 0.000000000000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 3 - symbol: Cs # 18 coordinates: [ 0.500000000000000, 0.299377240000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 4 - symbol: Cs # 19 coordinates: [ 0.712177530000000, 0.212177530000000, 0.000000000000000 ] mass: 132.905452 reduced_to: 5 - symbol: Cs # 20 coordinates: [ 0.200622760000000, 0.000000000000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 6 - symbol: Cs # 21 coordinates: [ 0.200622760000000, 0.000000000000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 7 - symbol: Cs # 22 coordinates: [ 0.500000000000000, 0.700622760000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 8 - symbol: Cs # 23 coordinates: [ 0.287822470000000, 0.787822470000000, 0.000000000000000 ] mass: 132.905452 reduced_to: 9 - symbol: Cs # 24 coordinates: [ 0.799377240000000, 0.000000000000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 10 - symbol: Cs # 25 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 11 - symbol: Cs # 26 coordinates: [ 0.500000000000000, 0.299377240000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 12 - symbol: Cs # 27 coordinates: [ 0.712177530000000, 0.787822470000000, 0.500000000000000 ] mass: 132.905452 reduced_to: 13 - symbol: Cs # 28 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 14 - symbol: Cd # 29 coordinates: [ 0.126877960000000, 0.626877960000000, 0.000000000000000 ] mass: 112.411000 reduced_to: 29 - symbol: Cd # 30 coordinates: [ 0.873122040000000, 0.626877960000000, 0.500000000000000 ] mass: 112.411000 reduced_to: 30 - symbol: Cd # 31 coordinates: [ 0.873122040000000, 0.373122040000000, 0.000000000000000 ] mass: 112.411000 reduced_to: 31 - symbol: Cd # 32 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 112.411000 reduced_to: 32 - symbol: Cd # 33 coordinates: [ 0.126877960000000, 0.373122040000000, 0.500000000000000 ] mass: 112.411000 reduced_to: 33 - symbol: Cd # 34 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 112.411000 reduced_to: 34 - symbol: Cd # 35 coordinates: [ 0.626877960000000, 0.126877960000000, 0.500000000000000 ] mass: 112.411000 reduced_to: 29 - symbol: Cd # 36 coordinates: [ 0.373122040000000, 0.126877960000000, 0.000000000000000 ] mass: 112.411000 reduced_to: 30 - symbol: Cd # 37 coordinates: [ 0.373122040000000, 0.873122040000000, 0.500000000000000 ] mass: 112.411000 reduced_to: 31 - symbol: Cd # 38 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 112.411000 reduced_to: 32 - symbol: Cd # 39 coordinates: [ 0.626877960000000, 0.873122040000000, 0.000000000000000 ] mass: 112.411000 reduced_to: 33 - symbol: Cd # 40 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 112.411000 reduced_to: 34 - symbol: Br # 41 coordinates: [ 0.157495930000000, 0.514815560000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 41 - symbol: Br # 42 coordinates: [ 0.610861910000000, 0.390249360000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 42 - symbol: Br # 43 coordinates: [ 0.176344930000000, 0.323655070000000, 0.297654880000000 ] mass: 79.904000 reduced_to: 43 - symbol: Br # 44 coordinates: [ 0.823655070000000, 0.323655070000000, 0.202345120000000 ] mass: 79.904000 reduced_to: 44 - symbol: Br # 45 coordinates: [ 0.014815560000000, 0.657495930000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 45 - symbol: Br # 46 coordinates: [ 0.842504070000000, 0.485184440000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 46 - symbol: Br # 47 coordinates: [ 0.176344930000000, 0.676344930000000, 0.202345120000000 ] mass: 79.904000 reduced_to: 47 - symbol: Br # 48 coordinates: [ 0.890249360000000, 0.889138090000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 48 - symbol: Br # 49 coordinates: [ 0.842504070000000, 0.514815560000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 49 - symbol: Br # 50 coordinates: [ 0.109750640000000, 0.889138090000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 50 - symbol: Br # 51 coordinates: [ 0.389138090000000, 0.390249360000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 51 - symbol: Br # 52 coordinates: [ 0.890249360000000, 0.110861910000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 52 - symbol: Br # 53 coordinates: [ 0.823655070000000, 0.676344930000000, 0.702345120000000 ] mass: 79.904000 reduced_to: 53 - symbol: Br # 54 coordinates: [ 0.823655070000000, 0.323655070000000, 0.797654880000000 ] mass: 79.904000 reduced_to: 54 - symbol: Br # 55 coordinates: [ 0.985184440000000, 0.657495930000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 55 - symbol: Br # 56 coordinates: [ 0.985184440000000, 0.342504070000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 56 - symbol: Br # 57 coordinates: [ 0.014815560000000, 0.342504070000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 57 - symbol: Br # 58 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 58 - symbol: Br # 59 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 59 - symbol: Br # 60 coordinates: [ 0.176344930000000, 0.676344930000000, 0.797654880000000 ] mass: 79.904000 reduced_to: 60 - symbol: Br # 61 coordinates: [ 0.176344930000000, 0.323655070000000, 0.702345120000000 ] mass: 79.904000 reduced_to: 61 - symbol: Br # 62 coordinates: [ 0.389138090000000, 0.609750640000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 62 - symbol: Br # 63 coordinates: [ 0.109750640000000, 0.110861910000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 63 - symbol: Br # 64 coordinates: [ 0.610861910000000, 0.609750640000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 64 - symbol: Br # 65 coordinates: [ 0.157495930000000, 0.485184440000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 65 - symbol: Br # 66 coordinates: [ 0.823655070000000, 0.676344930000000, 0.297654880000000 ] mass: 79.904000 reduced_to: 66 - symbol: Br # 67 coordinates: [ 0.657495930000000, 0.014815560000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 41 - symbol: Br # 68 coordinates: [ 0.110861910000000, 0.890249360000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 42 - symbol: Br # 69 coordinates: [ 0.676344930000000, 0.823655070000000, 0.797654880000000 ] mass: 79.904000 reduced_to: 43 - symbol: Br # 70 coordinates: [ 0.323655070000000, 0.823655070000000, 0.702345120000000 ] mass: 79.904000 reduced_to: 44 - symbol: Br # 71 coordinates: [ 0.514815560000000, 0.157495930000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 45 - symbol: Br # 72 coordinates: [ 0.342504070000000, 0.985184440000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 46 - symbol: Br # 73 coordinates: [ 0.676344930000000, 0.176344930000000, 0.702345120000000 ] mass: 79.904000 reduced_to: 47 - symbol: Br # 74 coordinates: [ 0.390249360000000, 0.389138090000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 48 - symbol: Br # 75 coordinates: [ 0.342504070000000, 0.014815560000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 49 - symbol: Br # 76 coordinates: [ 0.609750640000000, 0.389138090000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 50 - symbol: Br # 77 coordinates: [ 0.889138090000000, 0.890249360000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 51 - symbol: Br # 78 coordinates: [ 0.390249360000000, 0.610861910000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 52 - symbol: Br # 79 coordinates: [ 0.323655070000000, 0.176344930000000, 0.202345120000000 ] mass: 79.904000 reduced_to: 53 - symbol: Br # 80 coordinates: [ 0.323655070000000, 0.823655070000000, 0.297654880000000 ] mass: 79.904000 reduced_to: 54 - symbol: Br # 81 coordinates: [ 0.485184440000000, 0.157495930000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 55 - symbol: Br # 82 coordinates: [ 0.485184440000000, 0.842504070000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 56 - symbol: Br # 83 coordinates: [ 0.514815560000000, 0.842504070000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 57 - symbol: Br # 84 coordinates: [ 0.500000000000000, 0.500000000000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 58 - symbol: Br # 85 coordinates: [ 0.500000000000000, 0.500000000000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 59 - symbol: Br # 86 coordinates: [ 0.676344930000000, 0.176344930000000, 0.297654880000000 ] mass: 79.904000 reduced_to: 60 - symbol: Br # 87 coordinates: [ 0.676344930000000, 0.823655070000000, 0.202345120000000 ] mass: 79.904000 reduced_to: 61 - symbol: Br # 88 coordinates: [ 0.889138090000000, 0.109750640000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 62 - symbol: Br # 89 coordinates: [ 0.609750640000000, 0.610861910000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 63 - symbol: Br # 90 coordinates: [ 0.110861910000000, 0.109750640000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 64 - symbol: Br # 91 coordinates: [ 0.657495930000000, 0.985184440000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 65 - symbol: Br # 92 coordinates: [ 0.323655070000000, 0.176344930000000, 0.797654880000000 ] mass: 79.904000 reduced_to: 66supercell: lattice: - [ 17.824981279999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 17.824981279999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.102549659999999 ] # c points: - symbol: Cs # 1 coordinates: [ 0.000000000000000, 0.200622760000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 2 coordinates: [ 0.787822470000000, 0.712177530000000, 0.000000000000000 ] mass: 132.905452 reduced_to: 2 - symbol: Cs # 3 coordinates: [ 0.299377240000000, 0.500000000000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 3 - symbol: Cs # 4 coordinates: [ 0.000000000000000, 0.799377240000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 4 - symbol: Cs # 5 coordinates: [ 0.212177530000000, 0.712177530000000, 0.500000000000000 ] mass: 132.905452 reduced_to: 5 - symbol: Cs # 6 coordinates: [ 0.700622760000000, 0.500000000000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 6 - symbol: Cs # 7 coordinates: [ 0.700622760000000, 0.500000000000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 7 - symbol: Cs # 8 coordinates: [ 0.000000000000000, 0.200622760000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 8 - symbol: Cs # 9 coordinates: [ 0.787822470000000, 0.287822470000000, 0.500000000000000 ] mass: 132.905452 reduced_to: 9 - symbol: Cs # 10 coordinates: [ 0.299377240000000, 0.500000000000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 10 - symbol: Cs # 11 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 11 - symbol: Cs # 12 coordinates: [ 0.000000000000000, 0.799377240000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 12 - symbol: Cs # 13 coordinates: [ 0.212177530000000, 0.287822470000000, 0.000000000000000 ] mass: 132.905452 reduced_to: 13 - symbol: Cs # 14 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 14 - symbol: Cs # 15 coordinates: [ 0.500000000000000, 0.700622760000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 16 coordinates: [ 0.287822470000000, 0.212177530000000, 0.500000000000000 ] mass: 132.905452 reduced_to: 2 - symbol: Cs # 17 coordinates: [ 0.799377240000000, 0.000000000000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 3 - symbol: Cs # 18 coordinates: [ 0.500000000000000, 0.299377240000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 4 - symbol: Cs # 19 coordinates: [ 0.712177530000000, 0.212177530000000, 0.000000000000000 ] mass: 132.905452 reduced_to: 5 - symbol: Cs # 20 coordinates: [ 0.200622760000000, 0.000000000000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 6 - symbol: Cs # 21 coordinates: [ 0.200622760000000, 0.000000000000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 7 - symbol: Cs # 22 coordinates: [ 0.500000000000000, 0.700622760000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 8 - symbol: Cs # 23 coordinates: [ 0.287822470000000, 0.787822470000000, 0.000000000000000 ] mass: 132.905452 reduced_to: 9 - symbol: Cs # 24 coordinates: [ 0.799377240000000, 0.000000000000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 10 - symbol: Cs # 25 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 11 - symbol: Cs # 26 coordinates: [ 0.500000000000000, 0.299377240000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 12 - symbol: Cs # 27 coordinates: [ 0.712177530000000, 0.787822470000000, 0.500000000000000 ] mass: 132.905452 reduced_to: 13 - symbol: Cs # 28 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 14 - symbol: Cd # 29 coordinates: [ 0.126877960000000, 0.626877960000000, 0.000000000000000 ] mass: 112.411000 reduced_to: 29 - symbol: Cd # 30 coordinates: [ 0.873122040000000, 0.626877960000000, 0.500000000000000 ] mass: 112.411000 reduced_to: 30 - symbol: Cd # 31 coordinates: [ 0.873122040000000, 0.373122040000000, 0.000000000000000 ] mass: 112.411000 reduced_to: 31 - symbol: Cd # 32 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 112.411000 reduced_to: 32 - symbol: Cd # 33 coordinates: [ 0.126877960000000, 0.373122040000000, 0.500000000000000 ] mass: 112.411000 reduced_to: 33 - symbol: Cd # 34 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 112.411000 reduced_to: 34 - symbol: Cd # 35 coordinates: [ 0.626877960000000, 0.126877960000000, 0.500000000000000 ] mass: 112.411000 reduced_to: 29 - symbol: Cd # 36 coordinates: [ 0.373122040000000, 0.126877960000000, 0.000000000000000 ] mass: 112.411000 reduced_to: 30 - symbol: Cd # 37 coordinates: [ 0.373122040000000, 0.873122040000000, 0.500000000000000 ] mass: 112.411000 reduced_to: 31 - symbol: Cd # 38 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 112.411000 reduced_to: 32 - symbol: Cd # 39 coordinates: [ 0.626877960000000, 0.873122040000000, 0.000000000000000 ] mass: 112.411000 reduced_to: 33 - symbol: Cd # 40 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 112.411000 reduced_to: 34 - symbol: Br # 41 coordinates: [ 0.157495930000000, 0.514815560000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 41 - symbol: Br # 42 coordinates: [ 0.610861910000000, 0.390249360000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 42 - symbol: Br # 43 coordinates: [ 0.176344930000000, 0.323655070000000, 0.297654880000000 ] mass: 79.904000 reduced_to: 43 - symbol: Br # 44 coordinates: [ 0.823655070000000, 0.323655070000000, 0.202345120000000 ] mass: 79.904000 reduced_to: 44 - symbol: Br # 45 coordinates: [ 0.014815560000000, 0.657495930000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 45 - symbol: Br # 46 coordinates: [ 0.842504070000000, 0.485184440000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 46 - symbol: Br # 47 coordinates: [ 0.176344930000000, 0.676344930000000, 0.202345120000000 ] mass: 79.904000 reduced_to: 47 - symbol: Br # 48 coordinates: [ 0.890249360000000, 0.889138090000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 48 - symbol: Br # 49 coordinates: [ 0.842504070000000, 0.514815560000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 49 - symbol: Br # 50 coordinates: [ 0.109750640000000, 0.889138090000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 50 - symbol: Br # 51 coordinates: [ 0.389138090000000, 0.390249360000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 51 - symbol: Br # 52 coordinates: [ 0.890249360000000, 0.110861910000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 52 - symbol: Br # 53 coordinates: [ 0.823655070000000, 0.676344930000000, 0.702345120000000 ] mass: 79.904000 reduced_to: 53 - symbol: Br # 54 coordinates: [ 0.823655070000000, 0.323655070000000, 0.797654880000000 ] mass: 79.904000 reduced_to: 54 - symbol: Br # 55 coordinates: [ 0.985184440000000, 0.657495930000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 55 - symbol: Br # 56 coordinates: [ 0.985184440000000, 0.342504070000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 56 - symbol: Br # 57 coordinates: [ 0.014815560000000, 0.342504070000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 57 - symbol: Br # 58 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 58 - symbol: Br # 59 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 59 - symbol: Br # 60 coordinates: [ 0.176344930000000, 0.676344930000000, 0.797654880000000 ] mass: 79.904000 reduced_to: 60 - symbol: Br # 61 coordinates: [ 0.176344930000000, 0.323655070000000, 0.702345120000000 ] mass: 79.904000 reduced_to: 61 - symbol: Br # 62 coordinates: [ 0.389138090000000, 0.609750640000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 62 - symbol: Br # 63 coordinates: [ 0.109750640000000, 0.110861910000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 63 - symbol: Br # 64 coordinates: [ 0.610861910000000, 0.609750640000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 64 - symbol: Br # 65 coordinates: [ 0.157495930000000, 0.485184440000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 65 - symbol: Br # 66 coordinates: [ 0.823655070000000, 0.676344930000000, 0.297654880000000 ] mass: 79.904000 reduced_to: 66 - symbol: Br # 67 coordinates: [ 0.657495930000000, 0.014815560000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 41 - symbol: Br # 68 coordinates: [ 0.110861910000000, 0.890249360000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 42 - symbol: Br # 69 coordinates: [ 0.676344930000000, 0.823655070000000, 0.797654880000000 ] mass: 79.904000 reduced_to: 43 - symbol: Br # 70 coordinates: [ 0.323655070000000, 0.823655070000000, 0.702345120000000 ] mass: 79.904000 reduced_to: 44 - symbol: Br # 71 coordinates: [ 0.514815560000000, 0.157495930000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 45 - symbol: Br # 72 coordinates: [ 0.342504070000000, 0.985184440000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 46 - symbol: Br # 73 coordinates: [ 0.676344930000000, 0.176344930000000, 0.702345120000000 ] mass: 79.904000 reduced_to: 47 - symbol: Br # 74 coordinates: [ 0.390249360000000, 0.389138090000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 48 - symbol: Br # 75 coordinates: [ 0.342504070000000, 0.014815560000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 49 - symbol: Br # 76 coordinates: [ 0.609750640000000, 0.389138090000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 50 - symbol: Br # 77 coordinates: [ 0.889138090000000, 0.890249360000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 51 - symbol: Br # 78 coordinates: [ 0.390249360000000, 0.610861910000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 52 - symbol: Br # 79 coordinates: [ 0.323655070000000, 0.176344930000000, 0.202345120000000 ] mass: 79.904000 reduced_to: 53 - symbol: Br # 80 coordinates: [ 0.323655070000000, 0.823655070000000, 0.297654880000000 ] mass: 79.904000 reduced_to: 54 - symbol: Br # 81 coordinates: [ 0.485184440000000, 0.157495930000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 55 - symbol: Br # 82 coordinates: [ 0.485184440000000, 0.842504070000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 56 - symbol: Br # 83 coordinates: [ 0.514815560000000, 0.842504070000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 57 - symbol: Br # 84 coordinates: [ 0.500000000000000, 0.500000000000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 58 - symbol: Br # 85 coordinates: [ 0.500000000000000, 0.500000000000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 59 - symbol: Br # 86 coordinates: [ 0.676344930000000, 0.176344930000000, 0.297654880000000 ] mass: 79.904000 reduced_to: 60 - symbol: Br # 87 coordinates: [ 0.676344930000000, 0.823655070000000, 0.202345120000000 ] mass: 79.904000 reduced_to: 61 - symbol: Br # 88 coordinates: [ 0.889138090000000, 0.109750640000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 62 - symbol: Br # 89 coordinates: [ 0.609750640000000, 0.610861910000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 63 - symbol: Br # 90 coordinates: [ 0.110861910000000, 0.109750640000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 64 - symbol: Br # 91 coordinates: [ 0.657495930000000, 0.985184440000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 65 - symbol: Br # 92 coordinates: [ 0.323655070000000, 0.176344930000000, 0.797654880000000 ] mass: 79.904000 reduced_to: 66displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0068484800000000, 0.0000749900000000, -0.0007754300000000 ] - [ -0.0000292800000000, -0.0000089700000000, -0.0000042300000000 ] - [ 0.0002109100000000, 0.0002542600000000, 0.0000646900000000 ] - [ -0.0001576500000000, -0.0000171300000000, 0.0000014800000000 ] - [ -0.0000063700000000, 0.0000311500000000, -0.0000042200000000 ] - [ 0.0001069800000000, -0.0000722800000000, -0.0000294600000000 ] - [ 0.0002441600000000, -0.0002551800000000, 0.0000646800000000 ] - [ -0.0007102600000000, 0.0000158400000000, -0.0000561300000000 ] - [ 0.0005439900000000, -0.0004584100000000, 0.0008109600000000 ] - [ 0.0000734400000000, 0.0000710100000000, -0.0000293800000000 ] - [ -0.0004554300000000, -0.0000014300000000, 0.0000614900000000 ] - [ -0.0001578200000000, -0.0000165100000000, -0.0000011500000000 ] - [ 0.0005694700000000, 0.0004364600000000, 0.0008173800000000 ] - [ -0.0002286900000000, -0.0000013500000000, -0.0000469200000000 ] - [ 0.0000732700000000, 0.0000159600000000, -0.0000138300000000 ] - [ 0.0005568700000000, -0.0000432900000000, -0.0003397500000000 ] - [ 0.0000558500000000, 0.0002380100000000, -0.0000042400000000 ] - [ 0.0002846100000000, -0.0000170400000000, -0.0000266300000000 ] - [ 0.0005782500000000, 0.0000648500000000, -0.0003366800000000 ] - [ 0.0004185500000000, -0.0008391400000000, -0.0000026100000000 ] - [ 0.0000878000000000, -0.0002392900000000, -0.0000044000000000 ] - [ 0.0000837400000000, 0.0000158400000000, 0.0000149500000000 ] - [ 0.0000261700000000, -0.0000672600000000, 0.0000081500000000 ] - [ 0.0003853500000000, 0.0008320200000000, -0.0000025500000000 ] - [ 0.0001879400000000, -0.0000009200000000, 0.0000162700000000 ] - [ 0.0001854900000000, -0.0000171900000000, 0.0000158400000000 ] - [ 0.0000501200000000, 0.0000424500000000, 0.0000080600000000 ] - [ 0.0002262500000000, -0.0000011500000000, -0.0000204400000000 ] - [ -0.0001235900000000, 0.0001802800000000, 0.0000013500000000 ] - [ -0.0002431000000000, -0.0000607700000000, 0.0000013400000000 ] - [ -0.0010013200000000, -0.0008843400000000, -0.0013026200000000 ] - [ 0.0003293500000000, -0.0000032100000000, 0.0000016500000000 ] - [ -0.0008879800000000, 0.0007647900000000, -0.0013078500000000 ] - [ -0.0017729900000000, 0.0000123400000000, -0.0000022600000000 ] - [ 0.0005043700000000, 0.0001864600000000, 0.0002105200000000 ] - [ 0.0003841900000000, -0.0000688200000000, 0.0002127800000000 ] - [ 0.0001017100000000, -0.0001999700000000, -0.0000146000000000 ] - [ -0.0017733400000000, -0.0000119100000000, 0.0000031600000000 ] - [ 0.0002227000000000, 0.0000774600000000, -0.0000144900000000 ] - [ 0.0003290600000000, 0.0000023900000000, 0.0000013800000000 ] - [ 0.0000908600000000, -0.0002673800000000, 0.0001711900000000 ] - [ -0.0003331700000000, 0.0001556300000000, -0.0000327400000000 ] - [ 0.0000917600000000, -0.0000700500000000, 0.0002647100000000 ] - [ 0.0001700600000000, 0.0001482500000000, 0.0000031900000000 ] - [ 0.0002851000000000, 0.0000588700000000, -0.0000023200000000 ] - [ 0.0000750500000000, 0.0000220600000000, -0.0000601700000000 ] - [ -0.0000147600000000, -0.0000664000000000, -0.0001183800000000 ] - [ 0.0001091900000000, -0.0002314000000000, 0.0000096000000000 ] - [ 0.0000209900000000, 0.0005066900000000, 0.0001704000000000 ] - [ 0.0000948300000000, 0.0002815600000000, 0.0000091800000000 ] - [ -0.0002813200000000, -0.0001426500000000, -0.0000328600000000 ] - [ 0.0016543600000000, -0.0001711600000000, 0.0005353000000000 ] - [ 0.0000767200000000, -0.0000141600000000, -0.0001537700000000 ] - [ 0.0011383500000000, 0.0000324700000000, 0.0006763900000000 ] - [ 0.0000436500000000, 0.0000083900000000, -0.0000022900000000 ] - [ 0.0008961800000000, -0.0000699800000000, 0.0002812300000000 ] - [ 0.0011326100000000, -0.0000021500000000, 0.0002776400000000 ] - [ 0.0004552800000000, 0.0000071800000000, -0.0000137500000000 ] - [ 0.0004233600000000, -0.0000007000000000, 0.0000177800000000 ] - [ -0.0000026300000000, -0.0000673200000000, 0.0001073100000000 ] - [ 0.0011141300000000, 0.0000845900000000, 0.0004072900000000 ] - [ -0.0000969900000000, -0.0000223300000000, 0.0000155400000000 ] - [ 0.0016571200000000, 0.0000994500000000, 0.0005675800000000 ] - [ -0.0001494700000000, 0.0000051200000000, 0.0000153500000000 ] - [ 0.0001450600000000, -0.0002658300000000, -0.0000603900000000 ] - [ 0.0000649300000000, -0.0000151300000000, 0.0001427000000000 ] - [ -0.0001540600000000, -0.0000184900000000, 0.0000269000000000 ] - [ 0.0000790400000000, 0.0002489300000000, -0.0000115700000000 ] - [ -0.0001376400000000, -0.0000282100000000, 0.0001500600000000 ] - [ -0.0000577000000000, 0.0001069200000000, -0.0001114600000000 ] - [ -0.0002820200000000, -0.0000315600000000, -0.0000265100000000 ] - [ -0.0001842600000000, -0.0000184400000000, -0.0000453300000000 ] - [ -0.0004836400000000, -0.0001280300000000, -0.0003421800000000 ] - [ -0.0002977100000000, -0.0001250900000000, 0.0000465500000000 ] - [ -0.0002229000000000, 0.0002590800000000, 0.0000269100000000 ] - [ -0.0003132500000000, 0.0001756800000000, 0.0000462700000000 ] - [ 0.0001302900000000, -0.0002357700000000, -0.0000117000000000 ] - [ -0.0000993800000000, -0.0000454900000000, -0.0000160300000000 ] - [ -0.0001739700000000, 0.0000062000000000, -0.0001178000000000 ] - [ -0.0000363600000000, 0.0000881500000000, 0.0001269900000000 ] - [ -0.0005229300000000, 0.0000990500000000, -0.0000260400000000 ] - [ -0.0003016000000000, -0.0000659200000000, 0.0000015700000000 ] - [ -0.0000595400000000, -0.0000047000000000, 0.0000015600000000 ] - [ -0.0001206000000000, -0.0000008800000000, 0.0000142600000000 ] - [ -0.0001535500000000, -0.0000009500000000, -0.0000084300000000 ] - [ -0.0002539700000000, -0.0000870000000000, 0.0001437800000000 ] - [ -0.0001166100000000, -0.0000099400000000, -0.0001342000000000 ] - [ 0.0015735700000000, -0.0002758900000000, -0.0003667300000000 ] - [ -0.0001148700000000, -0.0000086800000000, -0.0000160600000000 ] - [ 0.0015400100000000, 0.0002435200000000, -0.0003956100000000 ] - [ -0.0001153800000000, -0.0002243700000000, -0.0000446700000000 ] - [ -0.0004065200000000, 0.0000473100000000, -0.0000825000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0140365400000000, 0.0000000000000000 ] - [ 0.0000091400000000, 0.0003984400000000, -0.0000034900000000 ] - [ 0.0002330200000000, 0.0002307700000000, 0.0000602300000000 ] - [ 0.0000000000000000, 0.0004418300000000, 0.0000000000000000 ] - [ -0.0000091400000000, 0.0003984400000000, 0.0000034900000000 ] - [ -0.0001387900000000, 0.0000937000000000, 0.0000343900000000 ] - [ -0.0002330200000000, 0.0002307700000000, -0.0000602300000000 ] - [ 0.0000000000000000, -0.0012201300000000, 0.0000000000000000 ] - [ -0.0005377600000000, -0.0006045100000000, -0.0004121600000000 ] - [ 0.0001387900000000, 0.0000937000000000, -0.0000343900000000 ] - [ 0.0000000000000000, 0.0011887500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0007916000000000, 0.0000000000000000 ] - [ 0.0005377600000000, -0.0006045100000000, 0.0004121600000000 ] - [ 0.0000000000000000, 0.0005004400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001801800000000, 0.0000000000000000 ] - [ -0.0000065500000000, -0.0005861600000000, -0.0001298400000000 ] - [ 0.0003274700000000, 0.0000756800000000, -0.0000035400000000 ] - [ 0.0000000000000000, -0.0001863200000000, 0.0000000000000000 ] - [ 0.0000065500000000, -0.0005861600000000, 0.0001298400000000 ] - [ -0.0010451800000000, 0.0004048000000000, -0.0000027300000000 ] - [ -0.0003274700000000, 0.0000756800000000, 0.0000035400000000 ] - [ 0.0000000000000000, 0.0001898900000000, 0.0000000000000000 ] - [ -0.0001167500000000, 0.0002249500000000, -0.0000076100000000 ] - [ 0.0010451800000000, 0.0004048000000000, 0.0000027300000000 ] - [ 0.0000000000000000, -0.0000554600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001842000000000, 0.0000000000000000 ] - [ 0.0001167500000000, 0.0002249500000000, 0.0000076100000000 ] - [ 0.0000000000000000, -0.0000645200000000, 0.0000000000000000 ] - [ 0.0000389900000000, 0.0006158500000000, 0.0000047900000000 ] - [ -0.0000389900000000, 0.0006158500000000, -0.0000047900000000 ] - [ -0.0011677300000000, 0.0005937300000000, 0.0010349900000000 ] - [ -0.0000197300000000, 0.0001459700000000, 0.0000063300000000 ] - [ 0.0011677300000000, 0.0005937300000000, -0.0010349900000000 ] - [ 0.0000002800000000, 0.0010386700000000, -0.0017544300000000 ] - [ 0.0001557300000000, -0.0002276200000000, -0.0000357500000000 ] - [ -0.0001557300000000, -0.0002276200000000, 0.0000357500000000 ] - [ -0.0001594900000000, 0.0000589000000000, 0.0000198300000000 ] - [ -0.0000002800000000, 0.0010386700000000, 0.0017544300000000 ] - [ 0.0001594900000000, 0.0000589000000000, -0.0000198300000000 ] - [ 0.0000197300000000, 0.0001459700000000, -0.0000063300000000 ] - [ -0.0002418200000000, -0.0004355600000000, 0.0001273300000000 ] - [ 0.0000650700000000, -0.0000016000000000, 0.0000242500000000 ] - [ -0.0003708100000000, 0.0002979000000000, 0.0004876900000000 ] - [ 0.0003708100000000, 0.0002979000000000, -0.0004876900000000 ] - [ 0.0000777300000000, -0.0003264400000000, 0.0000027400000000 ] - [ 0.0000470400000000, -0.0005516300000000, 0.0000613900000000 ] - [ -0.0000618700000000, -0.0003212300000000, -0.0002072600000000 ] - [ -0.0003344300000000, -0.0005253400000000, 0.0002411000000000 ] - [ 0.0002418200000000, -0.0004355600000000, -0.0001273300000000 ] - [ 0.0003344300000000, -0.0005253400000000, -0.0002411000000000 ] - [ -0.0000650700000000, -0.0000016000000000, -0.0000242500000000 ] - [ 0.0001940500000000, 0.0010986000000000, 0.0002568600000000 ] - [ 0.0000494900000000, -0.0003441600000000, -0.0002052500000000 ] - [ -0.0000190100000000, 0.0005507500000000, -0.0001195600000000 ] - [ -0.0000777300000000, -0.0003264400000000, -0.0000027400000000 ] - [ -0.0006792600000000, 0.0011240800000000, -0.0006588700000000 ] - [ 0.0006792600000000, 0.0011240800000000, 0.0006588700000000 ] - [ 0.0000000000000000, 0.0056251800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000663900000000, 0.0000000000000000 ] - [ -0.0000494900000000, -0.0003441600000000, 0.0002052500000000 ] - [ 0.0000190100000000, 0.0005507500000000, 0.0001195600000000 ] - [ 0.0000113200000000, -0.0001613800000000, 0.0000101300000000 ] - [ -0.0001940500000000, 0.0010986000000000, -0.0002568600000000 ] - [ -0.0000113200000000, -0.0001613800000000, -0.0000101300000000 ] - [ -0.0000470400000000, -0.0005516300000000, -0.0000613900000000 ] - [ 0.0000618700000000, -0.0003212300000000, 0.0002072600000000 ] - [ -0.0001258700000000, 0.0000748700000000, 0.0000315000000000 ] - [ 0.0003458300000000, -0.0004934200000000, 0.0002431600000000 ] - [ -0.0001189000000000, -0.0001210400000000, 0.0001435800000000 ] - [ 0.0001189000000000, -0.0001210400000000, -0.0001435800000000 ] - [ 0.0001494900000000, 0.0001385100000000, -0.0000079100000000 ] - [ 0.0001526500000000, 0.0000269800000000, 0.0000241200000000 ] - [ -0.0000688300000000, 0.0002457600000000, -0.0000663800000000 ] - [ -0.0001147800000000, 0.0000227700000000, 0.0000373200000000 ] - [ 0.0001258700000000, 0.0000748700000000, -0.0000315000000000 ] - [ 0.0001147800000000, 0.0000227700000000, -0.0000373200000000 ] - [ -0.0003458300000000, -0.0004934200000000, -0.0002431600000000 ] - [ 0.0000107500000000, -0.0001952900000000, -0.0000111400000000 ] - [ 0.0000670000000000, 0.0001816500000000, -0.0001007900000000 ] - [ 0.0000952200000000, -0.0000946700000000, 0.0001228500000000 ] - [ -0.0001494900000000, 0.0001385100000000, 0.0000079100000000 ] - [ -0.0001599800000000, -0.0001263700000000, 0.0000029400000000 ] - [ 0.0001599800000000, -0.0001263700000000, -0.0000029400000000 ] - [ 0.0000000000000000, -0.0000523600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000510500000000, 0.0000000000000000 ] - [ -0.0000670000000000, 0.0001816500000000, 0.0001007900000000 ] - [ -0.0000952200000000, -0.0000946700000000, -0.0001228500000000 ] - [ 0.0000832500000000, 0.0009726800000000, -0.0001703100000000 ] - [ -0.0000107500000000, -0.0001952900000000, 0.0000111400000000 ] - [ -0.0000832500000000, 0.0009726800000000, 0.0001703100000000 ] - [ -0.0001526500000000, 0.0000269800000000, -0.0000241200000000 ] - [ 0.0000688300000000, 0.0002457600000000, 0.0000663800000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0118001100000000, 0.0000000000000000 ] - [ -0.0000341800000000, -0.0003451600000000, 0.0000034500000000 ] - [ -0.0002626700000000, -0.0002031100000000, -0.0000601500000000 ] - [ 0.0000000000000000, -0.0004432900000000, 0.0000000000000000 ] - [ 0.0000341800000000, -0.0003451600000000, -0.0000034500000000 ] - [ 0.0001685400000000, -0.0000662400000000, -0.0000344000000000 ] - [ 0.0002626700000000, -0.0002031100000000, 0.0000601500000000 ] - [ 0.0000000000000000, 0.0012728500000000, 0.0000000000000000 ] - [ 0.0005120100000000, 0.0006031900000000, 0.0004117700000000 ] - [ -0.0001685400000000, -0.0000662400000000, 0.0000344000000000 ] - [ 0.0000000000000000, -0.0011509800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0007927600000000, 0.0000000000000000 ] - [ -0.0005120100000000, 0.0006031900000000, -0.0004117700000000 ] - [ 0.0000000000000000, -0.0004722100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001220500000000, 0.0000000000000000 ] - [ -0.0000194400000000, 0.0006366100000000, 0.0001298600000000 ] - [ -0.0003562900000000, -0.0000469700000000, 0.0000037200000000 ] - [ 0.0000000000000000, 0.0001828000000000, 0.0000000000000000 ] - [ 0.0000194400000000, 0.0006366100000000, -0.0001298600000000 ] - [ 0.0010787900000000, -0.0003782600000000, 0.0000027900000000 ] - [ 0.0003562900000000, -0.0000469700000000, -0.0000037200000000 ] - [ 0.0000000000000000, -0.0001320200000000, 0.0000000000000000 ] - [ 0.0000917200000000, -0.0002218700000000, 0.0000077000000000 ] - [ -0.0010787900000000, -0.0003782600000000, -0.0000027900000000 ] - [ 0.0000000000000000, 0.0000829200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001810000000000, 0.0000000000000000 ] - [ -0.0000917200000000, -0.0002218700000000, -0.0000077000000000 ] - [ 0.0000000000000000, 0.0000919100000000, 0.0000000000000000 ] - [ 0.0000813800000000, -0.0004657900000000, -0.0000046100000000 ] - [ -0.0000813800000000, -0.0004657900000000, 0.0000046100000000 ] - [ 0.0010408200000000, -0.0006851600000000, -0.0010302700000000 ] - [ 0.0000197400000000, -0.0001185900000000, -0.0000063200000000 ] - [ -0.0010408200000000, -0.0006851600000000, 0.0010302700000000 ] - [ -0.0000001200000000, -0.0010117300000000, 0.0017667400000000 ] - [ -0.0000344600000000, 0.0003755100000000, 0.0000356300000000 ] - [ 0.0000344600000000, 0.0003755100000000, -0.0000356300000000 ] - [ 0.0000385100000000, -0.0001517900000000, -0.0000199500000000 ] - [ 0.0000001200000000, -0.0010117300000000, -0.0017667400000000 ] - [ -0.0000385100000000, -0.0001517900000000, 0.0000199500000000 ] - [ -0.0000197400000000, -0.0001185900000000, 0.0000063200000000 ] - [ 0.0003095300000000, 0.0007034400000000, -0.0001269900000000 ] - [ -0.0001171600000000, 0.0000444100000000, -0.0000242600000000 ] - [ 0.0002896700000000, -0.0001894400000000, -0.0002237600000000 ] - [ -0.0002896700000000, -0.0001894400000000, 0.0002237600000000 ] - [ 0.0001632700000000, 0.0004213500000000, -0.0000024400000000 ] - [ -0.0001154200000000, 0.0003366400000000, -0.0000607500000000 ] - [ -0.0000183800000000, 0.0002679400000000, -0.0000551600000000 ] - [ 0.0003501600000000, 0.0006044200000000, -0.0002421200000000 ] - [ -0.0003095300000000, 0.0007034400000000, 0.0001269900000000 ] - [ -0.0003501600000000, 0.0006044200000000, 0.0002421200000000 ] - [ 0.0001171600000000, 0.0000444100000000, 0.0000242600000000 ] - [ -0.0001910900000000, -0.0011349800000000, -0.0002771300000000 ] - [ 0.0000305400000000, 0.0002906500000000, -0.0000571400000000 ] - [ 0.0000790900000000, -0.0004272600000000, 0.0003853100000000 ] - [ -0.0001632700000000, 0.0004213500000000, 0.0000024400000000 ] - [ 0.0004334500000000, -0.0011288800000000, 0.0006152600000000 ] - [ -0.0004334500000000, -0.0011288800000000, -0.0006152600000000 ] - [ 0.0000000000000000, -0.0058807000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000923100000000, 0.0000000000000000 ] - [ -0.0000305400000000, 0.0002906500000000, 0.0000571400000000 ] - [ -0.0000790900000000, -0.0004272600000000, -0.0003853100000000 ] - [ 0.0000407400000000, 0.0001731100000000, -0.0000100000000000 ] - [ 0.0001910900000000, -0.0011349800000000, 0.0002771300000000 ] - [ -0.0000407400000000, 0.0001731100000000, 0.0000100000000000 ] - [ 0.0001154200000000, 0.0003366400000000, 0.0000607500000000 ] - [ 0.0000183800000000, 0.0002679400000000, 0.0000551600000000 ] - [ 0.0001942800000000, 0.0001932300000000, -0.0000314600000000 ] - [ -0.0003985400000000, 0.0005356600000000, -0.0002444600000000 ] - [ 0.0000391300000000, 0.0002281300000000, 0.0001186900000000 ] - [ -0.0000391300000000, 0.0002281300000000, -0.0001186900000000 ] - [ 0.0000915300000000, -0.0000422500000000, 0.0000079300000000 ] - [ -0.0002211800000000, -0.0002411100000000, -0.0000245600000000 ] - [ -0.0000114100000000, -0.0002976600000000, -0.0001954900000000 ] - [ 0.0001299500000000, 0.0000572000000000, -0.0000371900000000 ] - [ -0.0001942800000000, 0.0001932300000000, 0.0000314600000000 ] - [ -0.0001299500000000, 0.0000572000000000, 0.0000371900000000 ] - [ 0.0003985400000000, 0.0005356600000000, 0.0002444600000000 ] - [ 0.0000044300000000, 0.0001701600000000, 0.0000112200000000 ] - [ 0.0000130800000000, -0.0002335700000000, -0.0001614600000000 ] - [ -0.0000151500000000, 0.0002013000000000, 0.0001391700000000 ] - [ -0.0000915300000000, -0.0000422500000000, -0.0000079300000000 ] - [ -0.0000813800000000, 0.0000845500000000, -0.0000029300000000 ] - [ 0.0000813800000000, 0.0000845500000000, 0.0000029300000000 ] - [ 0.0000000000000000, 0.0000797000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000783500000000, 0.0000000000000000 ] - [ -0.0000130800000000, -0.0002335700000000, 0.0001614600000000 ] - [ 0.0000151500000000, 0.0002013000000000, -0.0001391700000000 ] - [ -0.0000428600000000, -0.0009716900000000, 0.0001888800000000 ] - [ -0.0000044300000000, 0.0001701600000000, -0.0000112200000000 ] - [ 0.0000428600000000, -0.0009716900000000, -0.0001888800000000 ] - [ 0.0002211800000000, -0.0002411100000000, 0.0000245600000000 ] - [ 0.0000114100000000, -0.0002976600000000, 0.0001954900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0007744800000000, 0.0000883700000000, -0.0089867900000000 ] - [ -0.0000441400000000, 0.0000334500000000, -0.0000138100000000 ] - [ -0.0000766000000000, -0.0000658500000000, -0.0001172300000000 ] - [ 0.0000015300000000, -0.0000170700000000, 0.0001210200000000 ] - [ -0.0000199400000000, -0.0000109600000000, -0.0000137300000000 ] - [ -0.0000186600000000, 0.0000286900000000, 0.0000869900000000 ] - [ -0.0000438600000000, 0.0000635200000000, -0.0001169800000000 ] - [ 0.0000561500000000, 0.0000151000000000, 0.0019861000000000 ] - [ 0.0008449100000000, -0.0004397600000000, 0.0001747700000000 ] - [ -0.0000505600000000, -0.0000300200000000, 0.0000871600000000 ] - [ 0.0000692000000000, -0.0000015100000000, -0.0005406600000000 ] - [ 0.0000011200000000, -0.0000161400000000, -0.0001413700000000 ] - [ 0.0008724300000000, 0.0004160000000000, 0.0001726800000000 ] - [ 0.0000400400000000, -0.0000007500000000, 0.0004972300000000 ] - [ -0.0000138000000000, 0.0000153000000000, 0.0000118100000000 ] - [ -0.0004721600000000, -0.0000790400000000, 0.0000456400000000 ] - [ -0.0000127200000000, 0.0000033400000000, 0.0005499600000000 ] - [ -0.0000265400000000, -0.0000168000000000, -0.0000652200000000 ] - [ -0.0004488000000000, 0.0001027000000000, 0.0000445500000000 ] - [ 0.0000176700000000, 0.0000023800000000, -0.0006161600000000 ] - [ 0.0000199500000000, -0.0000053200000000, 0.0005497500000000 ] - [ -0.0000150000000000, 0.0000151700000000, -0.0000402900000000 ] - [ 0.0000228200000000, -0.0000346700000000, -0.0000144100000000 ] - [ -0.0000122800000000, -0.0000027600000000, -0.0006161900000000 ] - [ -0.0000095700000000, -0.0000007100000000, 0.0000445400000000 ] - [ -0.0000157500000000, -0.0000166200000000, 0.0000368700000000 ] - [ 0.0000469900000000, 0.0000089400000000, -0.0000143500000000 ] - [ -0.0000110200000000, -0.0000007300000000, -0.0000733700000000 ] - [ 0.0000806400000000, 0.0002101800000000, -0.0000152600000000 ] - [ -0.0000393200000000, -0.0000907400000000, -0.0000151900000000 ] - [ -0.0015991600000000, 0.0006277100000000, 0.0002909100000000 ] - [ -0.0000458300000000, 0.0000495400000000, -0.0000144700000000 ] - [ -0.0014714500000000, -0.0007470100000000, 0.0002960700000000 ] - [ 0.0000306000000000, -0.0022294600000000, 0.0002444400000000 ] - [ 0.0001406400000000, 0.0000107000000000, -0.0000251600000000 ] - [ 0.0000204000000000, 0.0001086500000000, -0.0000259000000000 ] - [ -0.0000757400000000, 0.0000315100000000, -0.0000136200000000 ] - [ 0.0000304200000000, 0.0022177700000000, 0.0002483500000000 ] - [ 0.0000450300000000, -0.0001539000000000, -0.0000137600000000 ] - [ -0.0000461900000000, -0.0000512400000000, -0.0000143600000000 ] - [ 0.0002585200000000, 0.0004404500000000, -0.0000302700000000 ] - [ -0.0000729100000000, 0.0000571000000000, -0.0000058500000000 ] - [ 0.0002047700000000, 0.0000278200000000, -0.0004013200000000 ] - [ 0.0002862500000000, 0.0000500000000000, -0.0006621000000000 ] - [ 0.0000913000000000, 0.0000490100000000, -0.0000149000000000 ] - [ -0.0001472100000000, 0.0000818100000000, -0.0000011200000000 ] - [ -0.0000635800000000, -0.0000623000000000, -0.0002339400000000 ] - [ -0.0000009000000000, 0.0002935000000000, 0.0000017100000000 ] - [ 0.0001904400000000, -0.0001999300000000, -0.0000291500000000 ] - [ -0.0000171100000000, -0.0002408500000000, 0.0000007600000000 ] - [ -0.0000201200000000, -0.0000428500000000, -0.0000056000000000 ] - [ 0.0008432400000000, -0.0001377000000000, 0.0010222600000000 ] - [ 0.0000147500000000, -0.0000210400000000, -0.0000542400000000 ] - [ 0.0002516100000000, -0.0000309500000000, 0.0008093200000000 ] - [ -0.0001502700000000, 0.0000182500000000, -0.0000148300000000 ] - [ 0.0006953600000000, -0.0006611200000000, 0.0012009100000000 ] - [ 0.0009445200000000, 0.0006439900000000, 0.0012587600000000 ] - [ -0.0000064600000000, 0.0000063700000000, 0.0011940500000000 ] - [ -0.0000103600000000, 0.0000002300000000, -0.0013387500000000 ] - [ -0.0000653600000000, -0.0000606900000000, 0.0002070300000000 ] - [ 0.0001715500000000, 0.0001121900000000, 0.0005429100000000 ] - [ 0.0000688700000000, -0.0000033700000000, -0.0000180600000000 ] - [ 0.0008683400000000, 0.0000499800000000, 0.0010808500000000 ] - [ 0.0000159100000000, -0.0000142400000000, -0.0000181000000000 ] - [ -0.0000786500000000, -0.0003253300000000, -0.0000009800000000 ] - [ 0.0000168600000000, -0.0000194500000000, 0.0000272400000000 ] - [ 0.0001157200000000, 0.0002282400000000, -0.0000146500000000 ] - [ -0.0000474500000000, 0.0002705500000000, 0.0000009700000000 ] - [ -0.0000370800000000, 0.0000533400000000, 0.0001576600000000 ] - [ 0.0000432800000000, 0.0000256000000000, -0.0001040800000000 ] - [ 0.0001649200000000, 0.0000352300000000, -0.0000128800000000 ] - [ -0.0000872800000000, -0.0001168500000000, -0.0000130100000000 ] - [ -0.0000862000000000, -0.0000066400000000, 0.0000287200000000 ] - [ 0.0000907600000000, 0.0000885600000000, -0.0000225900000000 ] - [ 0.0000467800000000, 0.0000119800000000, -0.0000150600000000 ] - [ 0.0000742200000000, -0.0000367100000000, -0.0000224500000000 ] - [ 0.0000058400000000, -0.0002548200000000, 0.0000002700000000 ] - [ 0.0000109600000000, -0.0000238500000000, -0.0000112500000000 ] - [ -0.0000062100000000, -0.0000644000000000, -0.0003069200000000 ] - [ 0.0000426900000000, 0.0000256200000000, 0.0000745800000000 ] - [ -0.0000765500000000, 0.0000318500000000, -0.0000130900000000 ] - [ -0.0001068000000000, -0.0000114900000000, -0.0000145900000000 ] - [ 0.0001354300000000, -0.0000590100000000, -0.0000146600000000 ] - [ 0.0000198900000000, -0.0000007400000000, -0.0000845800000000 ] - [ 0.0000270300000000, -0.0000008100000000, 0.0000552000000000 ] - [ -0.0000859800000000, -0.0000172300000000, -0.0000458700000000 ] - [ -0.0000376500000000, 0.0000531000000000, -0.0001864700000000 ] - [ -0.0007243000000000, 0.0001665300000000, 0.0009272500000000 ] - [ -0.0000049100000000, -0.0000306300000000, -0.0000114700000000 ] - [ -0.0007397300000000, -0.0002142900000000, 0.0008742300000000 ] - [ -0.0000181700000000, -0.0001266500000000, -0.0000130400000000 ] - [ -0.0000055400000000, -0.0000753400000000, 0.0002906200000000 ]- atom: 2 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000332100000000, 0.0000384200000000, -0.0000319000000000 ] - [ -0.0170718000000000, 0.0037424800000000, 0.0000000000000000 ] - [ 0.0004172400000000, -0.0000200900000000, -0.0000223800000000 ] - [ 0.0006087900000000, 0.0005111200000000, 0.0008624600000000 ] - [ 0.0003696200000000, 0.0000389600000000, 0.0000000000000000 ] - [ -0.0005244300000000, 0.0004476900000000, -0.0004274100000000 ] - [ -0.0005244300000000, 0.0004476900000000, 0.0004274100000000 ] - [ 0.0000332100000000, 0.0000384200000000, 0.0000319000000000 ] - [ -0.0001889300000000, -0.0000386100000000, 0.0000000000000000 ] - [ 0.0004172400000000, -0.0000200900000000, 0.0000223800000000 ] - [ 0.0000995500000000, -0.0003974600000000, -0.0003378000000000 ] - [ 0.0006087900000000, 0.0005111200000000, -0.0008624600000000 ] - [ 0.0002584400000000, -0.0000843100000000, 0.0000000000000000 ] - [ 0.0000995500000000, -0.0003974600000000, 0.0003378000000000 ] - [ 0.0006174100000000, 0.0000230300000000, -0.0004589700000000 ] - [ 0.0002007500000000, 0.0000195300000000, 0.0000000000000000 ] - [ -0.0005670600000000, -0.0000544400000000, 0.0000908000000000 ] - [ 0.0000894800000000, 0.0000880500000000, 0.0000349100000000 ] - [ -0.0002166500000000, -0.0000437900000000, 0.0000000000000000 ] - [ 0.0003015800000000, 0.0000551400000000, -0.0000218900000000 ] - [ 0.0003015800000000, 0.0000551400000000, 0.0000218900000000 ] - [ 0.0006174100000000, 0.0000230300000000, 0.0004589700000000 ] - [ 0.0005528600000000, 0.0000441000000000, 0.0000000000000000 ] - [ -0.0005670600000000, -0.0000544400000000, -0.0000908000000000 ] - [ 0.0002364300000000, -0.0002103300000000, -0.0001049600000000 ] - [ 0.0000894800000000, 0.0000880500000000, -0.0000349100000000 ] - [ -0.0005076900000000, 0.0002083000000000, 0.0000000000000000 ] - [ 0.0002364300000000, -0.0002103300000000, 0.0001049600000000 ] - [ 0.0022924600000000, -0.0003698900000000, 0.0000000000000000 ] - [ 0.0000225600000000, -0.0002269800000000, 0.0000000000000000 ] - [ -0.0000469600000000, -0.0006584300000000, 0.0000000000000000 ] - [ 0.0014469800000000, 0.0013307700000000, 0.0000000000000000 ] - [ 0.0002155400000000, -0.0001530200000000, 0.0000000000000000 ] - [ 0.0005831700000000, 0.0007862700000000, 0.0000000000000000 ] - [ 0.0000532600000000, -0.0001120900000000, 0.0000000000000000 ] - [ 0.0001761000000000, 0.0000156900000000, 0.0000000000000000 ] - [ 0.0003771500000000, -0.0001300300000000, 0.0000000000000000 ] - [ -0.0000531000000000, 0.0001476400000000, 0.0000000000000000 ] - [ 0.0017472100000000, -0.0026654200000000, 0.0000000000000000 ] - [ 0.0001612400000000, 0.0001052200000000, 0.0000000000000000 ] - [ -0.0000610300000000, 0.0001912100000000, 0.0000000000000000 ] - [ 0.0001551400000000, -0.0001515300000000, 0.0000000000000000 ] - [ -0.0001122600000000, 0.0000832300000000, 0.0001380000000000 ] - [ 0.0002635300000000, 0.0001888200000000, -0.0003028700000000 ] - [ 0.0002654800000000, 0.0001362100000000, 0.0000000000000000 ] - [ 0.0002307200000000, 0.0001204100000000, 0.0000000000000000 ] - [ -0.0006077100000000, -0.0001050100000000, -0.0005211700000000 ] - [ 0.0009911400000000, 0.0008104400000000, 0.0000000000000000 ] - [ 0.0003514300000000, -0.0005139700000000, 0.0000000000000000 ] - [ -0.0001242900000000, -0.0000991800000000, 0.0000000000000000 ] - [ -0.0001688500000000, -0.0000942900000000, 0.0000000000000000 ] - [ 0.0002067600000000, -0.0001096100000000, 0.0000000000000000 ] - [ 0.0004115300000000, -0.0003997700000000, -0.0018046600000000 ] - [ 0.0002635300000000, 0.0001888200000000, 0.0003028700000000 ] - [ 0.0019997700000000, -0.0002528400000000, 0.0000000000000000 ] - [ -0.0001052900000000, 0.0000239100000000, 0.0000000000000000 ] - [ 0.0001872700000000, 0.0000738400000000, 0.0000000000000000 ] - [ 0.0000230200000000, -0.0001750200000000, 0.0002342100000000 ] - [ 0.0000230200000000, -0.0001750200000000, -0.0002342100000000 ] - [ -0.0006077100000000, -0.0001050100000000, 0.0005211700000000 ] - [ -0.0001122600000000, 0.0000832300000000, -0.0001380000000000 ] - [ -0.0002598800000000, 0.0000397100000000, 0.0000000000000000 ] - [ -0.0000706000000000, -0.0001215200000000, 0.0000000000000000 ] - [ 0.0017704900000000, 0.0003873500000000, 0.0000000000000000 ] - [ -0.0004072200000000, 0.0003540900000000, 0.0000000000000000 ] - [ 0.0004115300000000, -0.0003997700000000, 0.0018046600000000 ] - [ 0.0003217200000000, 0.0008232400000000, 0.0000000000000000 ] - [ -0.0003276900000000, -0.0001693300000000, 0.0000000000000000 ] - [ 0.0018190800000000, -0.0012325600000000, 0.0015799200000000 ] - [ -0.0001924700000000, 0.0000247500000000, -0.0000952700000000 ] - [ 0.0000182100000000, 0.0000395000000000, 0.0000000000000000 ] - [ -0.0001798100000000, -0.0000659300000000, 0.0000000000000000 ] - [ 0.0001020400000000, 0.0000206500000000, -0.0001164900000000 ] - [ -0.0001750800000000, -0.0001202000000000, 0.0000000000000000 ] - [ -0.0001554200000000, 0.0001798000000000, 0.0000000000000000 ] - [ 0.0002459700000000, -0.0005654300000000, 0.0000000000000000 ] - [ 0.0003575500000000, -0.0000679000000000, 0.0000000000000000 ] - [ -0.0006333000000000, 0.0000809700000000, 0.0000000000000000 ] - [ -0.0000532400000000, -0.0000205200000000, -0.0000884300000000 ] - [ -0.0001924700000000, 0.0000247500000000, 0.0000952700000000 ] - [ -0.0001101000000000, 0.0000593100000000, 0.0000000000000000 ] - [ -0.0006629100000000, 0.0000758000000000, 0.0000000000000000 ] - [ -0.0001377200000000, 0.0001124200000000, 0.0000000000000000 ] - [ -0.0001354300000000, -0.0001896900000000, 0.0004476900000000 ] - [ -0.0001354300000000, -0.0001896900000000, -0.0004476900000000 ] - [ 0.0001020400000000, 0.0000206500000000, 0.0001164900000000 ] - [ 0.0018190800000000, -0.0012325600000000, -0.0015799200000000 ] - [ 0.0003116600000000, -0.0003259200000000, 0.0000000000000000 ] - [ 0.0001292500000000, -0.0001168200000000, 0.0000000000000000 ] - [ -0.0001223500000000, -0.0001110000000000, 0.0000000000000000 ] - [ 0.0001261800000000, 0.0000688800000000, 0.0000000000000000 ] - [ -0.0000532400000000, -0.0000205200000000, 0.0000884300000000 ]- atom: 2 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000338500000000, -0.0000064200000000, 0.0000321200000000 ] - [ 0.0171104300000000, -0.0037660500000000, 0.0000000000000000 ] - [ -0.0004494700000000, 0.0000201100000000, 0.0000221500000000 ] - [ -0.0006076300000000, -0.0005383800000000, -0.0008555800000000 ] - [ -0.0003461000000000, -0.0000146500000000, 0.0000000000000000 ] - [ 0.0005602300000000, -0.0004474500000000, 0.0004287100000000 ] - [ 0.0005602300000000, -0.0004474500000000, -0.0004287100000000 ] - [ -0.0000338500000000, -0.0000064200000000, -0.0000321200000000 ] - [ 0.0001647600000000, 0.0000150600000000, 0.0000000000000000 ] - [ -0.0004494700000000, 0.0000201100000000, -0.0000221500000000 ] - [ -0.0001009700000000, 0.0003957100000000, 0.0003358200000000 ] - [ -0.0006076300000000, -0.0005383800000000, 0.0008555800000000 ] - [ -0.0002350900000000, 0.0000602000000000, 0.0000000000000000 ] - [ -0.0001009700000000, 0.0003957100000000, -0.0003358200000000 ] - [ -0.0006207400000000, 0.0000095400000000, 0.0004622900000000 ] - [ -0.0002253800000000, 0.0000048500000000, 0.0000000000000000 ] - [ 0.0005350200000000, 0.0000539100000000, -0.0000910000000000 ] - [ -0.0000893700000000, -0.0001198600000000, -0.0000351000000000 ] - [ 0.0002412500000000, 0.0000680700000000, 0.0000000000000000 ] - [ -0.0002703900000000, -0.0000546600000000, 0.0000217900000000 ] - [ -0.0002703900000000, -0.0000546600000000, -0.0000217900000000 ] - [ -0.0006207400000000, 0.0000095400000000, -0.0004622900000000 ] - [ -0.0005774100000000, -0.0000677200000000, 0.0000000000000000 ] - [ 0.0005350200000000, 0.0000539100000000, 0.0000910000000000 ] - [ -0.0002360100000000, 0.0002106700000000, 0.0001054200000000 ] - [ -0.0000893700000000, -0.0001198600000000, 0.0000351000000000 ] - [ 0.0005338200000000, -0.0002332300000000, 0.0000000000000000 ] - [ -0.0002360100000000, 0.0002106700000000, -0.0001054200000000 ] - [ -0.0021669400000000, 0.0004879000000000, 0.0000000000000000 ] - [ -0.0001514700000000, 0.0003533400000000, 0.0000000000000000 ] - [ -0.0000747300000000, 0.0005421000000000, 0.0000000000000000 ] - [ -0.0014489100000000, -0.0013310000000000, 0.0000000000000000 ] - [ -0.0000955800000000, 0.0000318100000000, 0.0000000000000000 ] - [ -0.0005892700000000, -0.0007886500000000, 0.0000000000000000 ] - [ 0.0000677600000000, 0.0002325300000000, 0.0000000000000000 ] - [ -0.0002968800000000, 0.0001060500000000, 0.0000000000000000 ] - [ -0.0004976000000000, 0.0000097800000000, 0.0000000000000000 ] - [ 0.0000517500000000, -0.0001468700000000, 0.0000000000000000 ] - [ -0.0016346800000000, 0.0025708100000000, 0.0000000000000000 ] - [ -0.0001608500000000, -0.0001054400000000, 0.0000000000000000 ] - [ 0.0001302300000000, 0.0000517000000000, 0.0000000000000000 ] - [ -0.0002083700000000, 0.0001672200000000, 0.0000000000000000 ] - [ 0.0000320600000000, -0.0000026300000000, 0.0001236900000000 ] - [ -0.0001841000000000, -0.0001093200000000, 0.0000420600000000 ] - [ -0.0000197600000000, -0.0000663600000000, 0.0000000000000000 ] - [ -0.0003001500000000, -0.0003664000000000, 0.0000000000000000 ] - [ 0.0005267100000000, 0.0000254800000000, 0.0002591500000000 ] - [ -0.0009517600000000, -0.0007128000000000, 0.0000000000000000 ] - [ -0.0004227200000000, 0.0007501000000000, 0.0000000000000000 ] - [ 0.0001086100000000, 0.0001508600000000, 0.0000000000000000 ] - [ 0.0002213400000000, 0.0001104700000000, 0.0000000000000000 ] - [ -0.0001912100000000, 0.0000571700000000, 0.0000000000000000 ] - [ -0.0003417400000000, 0.0003206800000000, 0.0015520100000000 ] - [ -0.0001841000000000, -0.0001093200000000, -0.0000420600000000 ] - [ -0.0020874100000000, 0.0002767300000000, 0.0000000000000000 ] - [ -0.0001357300000000, -0.0000921900000000, 0.0000000000000000 ] - [ 0.0000558900000000, -0.0001431300000000, 0.0000000000000000 ] - [ -0.0000226500000000, 0.0001748800000000, -0.0002357600000000 ] - [ -0.0000226500000000, 0.0001748800000000, 0.0002357600000000 ] - [ 0.0005267100000000, 0.0000254800000000, -0.0002591500000000 ] - [ 0.0000320600000000, -0.0000026300000000, -0.0001236900000000 ] - [ 0.0003117400000000, -0.0000544800000000, 0.0000000000000000 ] - [ 0.0000547900000000, 0.0000687200000000, 0.0000000000000000 ] - [ -0.0019446100000000, -0.0004835400000000, 0.0000000000000000 ] - [ 0.0004759000000000, -0.0005951600000000, 0.0000000000000000 ] - [ -0.0003417400000000, 0.0003206800000000, -0.0015520100000000 ] - [ -0.0002540700000000, -0.0005819500000000, 0.0000000000000000 ] - [ 0.0002763800000000, 0.0001829100000000, 0.0000000000000000 ] - [ -0.0019303100000000, 0.0013558100000000, -0.0013616400000000 ] - [ 0.0002722800000000, 0.0000552200000000, -0.0001661000000000 ] - [ 0.0002223200000000, 0.0000291000000000, 0.0000000000000000 ] - [ 0.0001096900000000, -0.0001770600000000, 0.0000000000000000 ] - [ -0.0001826700000000, -0.0001004300000000, -0.0001450800000000 ] - [ 0.0001907700000000, 0.0001736000000000, 0.0000000000000000 ] - [ 0.0000862800000000, 0.0000618700000000, 0.0000000000000000 ] - [ -0.0002620000000000, 0.0006195400000000, 0.0000000000000000 ] - [ -0.0003040400000000, 0.0000841000000000, 0.0000000000000000 ] - [ 0.0006469500000000, -0.0001315800000000, 0.0000000000000000 ] - [ 0.0001330400000000, -0.0000594800000000, -0.0001732400000000 ] - [ 0.0002722800000000, 0.0000552200000000, 0.0001661000000000 ] - [ -0.0001322400000000, 0.0000098900000000, 0.0000000000000000 ] - [ 0.0004206100000000, -0.0001463600000000, 0.0000000000000000 ] - [ 0.0003784000000000, -0.0001815400000000, 0.0000000000000000 ] - [ 0.0001352600000000, 0.0001904700000000, -0.0004477000000000 ] - [ 0.0001352600000000, 0.0001904700000000, 0.0004477000000000 ] - [ -0.0001826700000000, -0.0001004300000000, 0.0001450800000000 ] - [ -0.0019303100000000, 0.0013558100000000, 0.0013616400000000 ] - [ -0.0002598500000000, 0.0003121700000000, 0.0000000000000000 ] - [ -0.0001465400000000, 0.0000642800000000, 0.0000000000000000 ] - [ 0.0000700600000000, 0.0000954800000000, 0.0000000000000000 ] - [ -0.0000578100000000, -0.0003099200000000, 0.0000000000000000 ] - [ 0.0001330400000000, -0.0000594800000000, 0.0001732400000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000043200000000, 0.0000124900000000, 0.0000149900000000 ] - [ -0.0000314500000000, 0.0000314500000000, -0.0252757600000000 ] - [ -0.0000124900000000, 0.0000043200000000, 0.0000149900000000 ] - [ 0.0008169100000000, 0.0003980400000000, 0.0002007700000000 ] - [ 0.0000121300000000, 0.0000119500000000, 0.0000327900000000 ] - [ -0.0003980400000000, -0.0008169100000000, 0.0002007700000000 ] - [ 0.0004269300000000, 0.0008119300000000, 0.0002037800000000 ] - [ 0.0000040900000000, 0.0000195400000000, 0.0000146000000000 ] - [ -0.0000119500000000, -0.0000121300000000, 0.0000327900000000 ] - [ -0.0000195400000000, -0.0000040900000000, 0.0000146000000000 ] - [ -0.0002041200000000, 0.0002041200000000, 0.0000095700000000 ] - [ -0.0008119300000000, -0.0004269300000000, 0.0002037800000000 ] - [ 0.0000117800000000, -0.0000117800000000, 0.0000082500000000 ] - [ 0.0002055800000000, -0.0002055800000000, 0.0000076700000000 ] - [ -0.0003390000000000, -0.0001142700000000, 0.0000730000000000 ] - [ -0.0000121700000000, 0.0000121700000000, 0.0000185900000000 ] - [ 0.0001142700000000, 0.0003390000000000, 0.0000730000000000 ] - [ 0.0000080900000000, -0.0000081100000000, 0.0000142900000000 ] - [ 0.0000122100000000, 0.0000123300000000, -0.0000006000000000 ] - [ 0.0000081100000000, -0.0000080900000000, 0.0000142900000000 ] - [ 0.0000233900000000, 0.0000081400000000, 0.0000140200000000 ] - [ 0.0003375200000000, 0.0001457200000000, 0.0000742800000000 ] - [ -0.0000123300000000, -0.0000122100000000, -0.0000006000000000 ] - [ -0.0001457200000000, -0.0003375200000000, 0.0000742800000000 ] - [ -0.0001086200000000, 0.0001086200000000, 0.0000262400000000 ] - [ -0.0000081400000000, -0.0000233900000000, 0.0000140200000000 ] - [ 0.0000100500000000, -0.0000100500000000, 0.0013749700000000 ] - [ 0.0001084700000000, -0.0001084700000000, 0.0000261600000000 ] - [ 0.0000571900000000, 0.0000608600000000, 0.0000662600000000 ] - [ -0.0000638600000000, 0.0000638600000000, 0.0042385900000000 ] - [ -0.0000608600000000, -0.0000571900000000, 0.0000662600000000 ] - [ 0.0000019000000000, 0.0000022400000000, 0.0000294900000000 ] - [ 0.0000605500000000, -0.0000605500000000, 0.0000334700000000 ] - [ -0.0000022400000000, -0.0000019000000000, 0.0000294900000000 ] - [ 0.0000603200000000, 0.0000606800000000, 0.0000344200000000 ] - [ -0.0000605300000000, 0.0000605300000000, 0.0000019800000000 ] - [ -0.0000606800000000, -0.0000603200000000, 0.0000344200000000 ] - [ 0.0000009300000000, 0.0000013200000000, 0.0000361200000000 ] - [ 0.0000635800000000, -0.0000635800000000, -0.0027456200000000 ] - [ -0.0000013200000000, -0.0000009300000000, 0.0000361200000000 ] - [ 0.0000342500000000, 0.0001209200000000, -0.0000025000000000 ] - [ -0.0000261600000000, 0.0000082100000000, -0.0001004700000000 ] - [ -0.0000444800000000, 0.0000444800000000, 0.0001402100000000 ] - [ 0.0000010200000000, 0.0000284000000000, -0.0000586500000000 ] - [ 0.0001211200000000, 0.0000343200000000, -0.0006542500000000 ] - [ -0.0000343200000000, -0.0001211200000000, -0.0006542500000000 ] - [ -0.0000284000000000, -0.0000010200000000, -0.0000586500000000 ] - [ 0.0000067800000000, 0.0000238300000000, 0.0005329400000000 ] - [ -0.0000348500000000, 0.0001235900000000, 0.0002316900000000 ] - [ -0.0000082100000000, 0.0000261600000000, -0.0001004700000000 ] - [ 0.0000265100000000, 0.0000079000000000, 0.0000215400000000 ] - [ 0.0000078300000000, -0.0000267000000000, -0.0000309200000000 ] - [ -0.0013336600000000, 0.0013336600000000, 0.0067041300000000 ] - [ 0.0000784200000000, 0.0000508300000000, 0.0002008400000000 ] - [ -0.0001235900000000, 0.0000348500000000, 0.0002316900000000 ] - [ -0.0001209200000000, -0.0000342500000000, -0.0000025000000000 ] - [ 0.0001212900000000, -0.0000348900000000, 0.0000324800000000 ] - [ 0.0000034500000000, 0.0000370300000000, 0.0000467200000000 ] - [ -0.0000034100000000, -0.0000372400000000, 0.0000490800000000 ] - [ -0.0000508300000000, -0.0000784200000000, 0.0002008400000000 ] - [ -0.0000358800000000, 0.0000358800000000, -0.0001215100000000 ] - [ 0.0000267000000000, -0.0000078300000000, -0.0000309200000000 ] - [ -0.0000079000000000, -0.0000265100000000, 0.0000215400000000 ] - [ -0.0000238300000000, -0.0000067800000000, 0.0005329400000000 ] - [ 0.0000348900000000, -0.0001212900000000, 0.0000324800000000 ] - [ 0.0014920500000000, -0.0014920500000000, 0.0073040300000000 ] - [ 0.0000340500000000, 0.0001195900000000, 0.0004020300000000 ] - [ -0.0000258100000000, 0.0000077900000000, 0.0001054600000000 ] - [ 0.0013614400000000, -0.0013614400000000, 0.0029772900000000 ] - [ 0.0000330100000000, 0.0000523800000000, -0.0001317000000000 ] - [ 0.0001205300000000, 0.0000346300000000, 0.0000249300000000 ] - [ -0.0000346300000000, -0.0001205300000000, 0.0000249300000000 ] - [ -0.0000523800000000, -0.0000330100000000, -0.0001317000000000 ] - [ 0.0000079000000000, 0.0000265000000000, 0.0000101800000000 ] - [ -0.0000342800000000, 0.0001206400000000, -0.0000009900000000 ] - [ -0.0000077900000000, 0.0000258100000000, 0.0001054600000000 ] - [ 0.0000250300000000, 0.0000060200000000, -0.0003176900000000 ] - [ 0.0000072600000000, -0.0000261400000000, 0.0000545600000000 ] - [ 0.0000420500000000, -0.0000420500000000, -0.0001136800000000 ] - [ 0.0000471000000000, 0.0000278600000000, 0.0001294600000000 ] - [ -0.0001206400000000, 0.0000342800000000, -0.0000009900000000 ] - [ -0.0001195900000000, -0.0000340500000000, 0.0004020300000000 ] - [ 0.0001211000000000, -0.0000345300000000, -0.0001194000000000 ] - [ 0.0000372400000000, 0.0000034100000000, 0.0000490800000000 ] - [ -0.0000370300000000, -0.0000034500000000, 0.0000467200000000 ] - [ -0.0000278600000000, -0.0000471000000000, 0.0001294600000000 ] - [ -0.0014954100000000, 0.0014954100000000, 0.0027708700000000 ] - [ 0.0000261400000000, -0.0000072600000000, 0.0000545600000000 ] - [ -0.0000060200000000, -0.0000250300000000, -0.0003176900000000 ] - [ -0.0000265000000000, -0.0000079000000000, 0.0000101800000000 ] - [ 0.0000345300000000, -0.0001211000000000, -0.0001194000000000 ] - [ 0.0000380300000000, -0.0000380300000000, 0.0001475200000000 ]- atom: 11 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004569700000000, 0.0000177000000000, 0.0000692000000000 ] - [ 0.0000358600000000, -0.0003839800000000, -0.0002041500000000 ] - [ 0.0011669100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002302800000000, -0.0000170800000000, 0.0000400000000000 ] - [ 0.0000588200000000, 0.0004088000000000, -0.0002053500000000 ] - [ 0.0005120300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0011920600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002302800000000, 0.0000170800000000, -0.0000400000000000 ] - [ 0.0000358600000000, 0.0003839800000000, 0.0002041500000000 ] - [ 0.0004787000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0020024000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0004569700000000, -0.0000177000000000, -0.0000692000000000 ] - [ 0.0000588200000000, -0.0004088000000000, 0.0002053500000000 ] - [ -0.0010164500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001864000000000, 0.0000165000000000, -0.0000095400000000 ] - [ 0.0001711300000000, -0.0001985200000000, -0.0001087100000000 ] - [ -0.0000766000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002246900000000, -0.0000166200000000, -0.0000109800000000 ] - [ 0.0001954000000000, 0.0002222600000000, -0.0001082500000000 ] - [ -0.0000533500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000442800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002246900000000, 0.0000166200000000, 0.0000109800000000 ] - [ 0.0001711300000000, 0.0001985200000000, 0.0001087100000000 ] - [ -0.0000857000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001106200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001864000000000, -0.0000165000000000, 0.0000095400000000 ] - [ 0.0001954000000000, -0.0002222600000000, 0.0001082500000000 ] - [ 0.0001291100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0005732700000000, 0.0016342800000000, 0.0014453600000000 ] - [ -0.0006868500000000, -0.0015080200000000, 0.0014376600000000 ] - [ -0.0006868500000000, 0.0015080200000000, -0.0014376600000000 ] - [ 0.0006334000000000, -0.0000063400000000, 0.0000003200000000 ] - [ -0.0005732700000000, -0.0016342800000000, -0.0014453600000000 ] - [ -0.0003371300000000, 0.0000330200000000, 0.0000000700000000 ] - [ 0.0002641700000000, 0.0001245900000000, 0.0000559100000000 ] - [ 0.0001431600000000, -0.0000042900000000, 0.0000560600000000 ] - [ 0.0001431600000000, 0.0000042900000000, -0.0000560600000000 ] - [ -0.0003371300000000, -0.0000330200000000, -0.0000000700000000 ] - [ 0.0002641700000000, -0.0001245900000000, -0.0000559100000000 ] - [ 0.0006334000000000, 0.0000063400000000, -0.0000003200000000 ] - [ 0.0004427600000000, 0.0004309300000000, 0.0004006600000000 ] - [ -0.0004369300000000, 0.0000140900000000, -0.0000327900000000 ] - [ 0.0000462800000000, 0.0003533600000000, 0.0003510500000000 ] - [ 0.0001251600000000, -0.0002727900000000, 0.0000889500000000 ] - [ 0.0012435300000000, 0.0003499500000000, -0.0000860200000000 ] - [ 0.0003465000000000, 0.0001865600000000, -0.0004250900000000 ] - [ 0.0000462800000000, -0.0003533600000000, -0.0003510500000000 ] - [ 0.0001420200000000, 0.0001044500000000, 0.0000109300000000 ] - [ 0.0003465000000000, -0.0001865600000000, 0.0004250900000000 ] - [ 0.0001271600000000, -0.0000516600000000, 0.0000110100000000 ] - [ -0.0003848600000000, 0.0000011100000000, -0.0000334700000000 ] - [ 0.0001420200000000, -0.0001044500000000, -0.0000109300000000 ] - [ -0.0002252700000000, 0.0007906300000000, -0.0005069700000000 ] - [ -0.0002252700000000, -0.0007906300000000, 0.0005069700000000 ] - [ 0.0010037100000000, -0.0002796900000000, -0.0000840100000000 ] - [ 0.0010037100000000, 0.0002796900000000, 0.0000840100000000 ] - [ 0.0012435300000000, -0.0003499500000000, 0.0000860200000000 ] - [ 0.0000711000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000726300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0003010300000000, -0.0008725100000000, -0.0002474000000000 ] - [ -0.0003010300000000, 0.0008725100000000, 0.0002474000000000 ] - [ -0.0003848600000000, -0.0000011100000000, 0.0000334700000000 ] - [ 0.0001271600000000, 0.0000516600000000, -0.0000110100000000 ] - [ -0.0004369300000000, -0.0000140900000000, 0.0000327900000000 ] - [ 0.0004427600000000, -0.0004309300000000, -0.0004006600000000 ] - [ 0.0001251600000000, 0.0002727900000000, -0.0000889500000000 ] - [ -0.0000297900000000, 0.0001411000000000, 0.0000114800000000 ] - [ 0.0001263400000000, -0.0001055600000000, -0.0000170600000000 ] - [ -0.0002051900000000, 0.0001513500000000, 0.0002275400000000 ] - [ -0.0001251700000000, -0.0000716300000000, -0.0000335000000000 ] - [ -0.0001086600000000, -0.0000033800000000, -0.0000073100000000 ] - [ -0.0000983800000000, -0.0000996500000000, -0.0000115800000000 ] - [ -0.0002051900000000, -0.0001513500000000, -0.0002275400000000 ] - [ -0.0003841700000000, 0.0000061800000000, 0.0000384700000000 ] - [ -0.0000983800000000, 0.0000996500000000, 0.0000115800000000 ] - [ -0.0003992500000000, 0.0000464800000000, 0.0000378200000000 ] - [ 0.0001776500000000, 0.0001206500000000, -0.0000169200000000 ] - [ -0.0003841700000000, -0.0000061800000000, -0.0000384700000000 ] - [ -0.0000834900000000, 0.0000328300000000, -0.0000952400000000 ] - [ -0.0000834900000000, -0.0000328300000000, 0.0000952400000000 ] - [ -0.0003512700000000, 0.0000730500000000, -0.0000073000000000 ] - [ -0.0003512700000000, -0.0000730500000000, 0.0000073000000000 ] - [ -0.0001086600000000, 0.0000033800000000, 0.0000073100000000 ] - [ -0.0002925700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0003871100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001635200000000, -0.0001125400000000, 0.0001657300000000 ] - [ -0.0001635200000000, 0.0001125400000000, -0.0001657300000000 ] - [ 0.0001776500000000, -0.0001206500000000, 0.0000169200000000 ] - [ -0.0003992500000000, -0.0000464800000000, -0.0000378200000000 ] - [ 0.0001263400000000, 0.0001055600000000, 0.0000170600000000 ] - [ -0.0000297900000000, -0.0001411000000000, -0.0000114800000000 ] - [ -0.0001251700000000, 0.0000716300000000, 0.0000335000000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000615000000000, 0.0000166300000000, -0.0005427400000000 ] - [ -0.0003490600000000, 0.0003490600000000, -0.0000222800000000 ] - [ -0.0000166300000000, -0.0000615000000000, -0.0005427400000000 ] - [ -0.0000468600000000, -0.0000153800000000, 0.0004953000000000 ] - [ -0.0003242100000000, -0.0003242100000000, -0.0000214600000000 ] - [ 0.0000153800000000, 0.0000468600000000, 0.0004953000000000 ] - [ 0.0000166300000000, 0.0000615000000000, -0.0005427400000000 ] - [ 0.0000468600000000, 0.0000153800000000, 0.0004953000000000 ] - [ 0.0003242100000000, 0.0003242100000000, -0.0000214600000000 ] - [ -0.0000153800000000, -0.0000468600000000, 0.0004953000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0040932900000000 ] - [ -0.0000615000000000, -0.0000166300000000, -0.0005427400000000 ] - [ 0.0003490600000000, -0.0003490600000000, -0.0000222800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020284300000000 ] - [ 0.0000162900000000, 0.0000156700000000, 0.0000426000000000 ] - [ -0.0001174400000000, 0.0001174400000000, -0.0000040000000000 ] - [ -0.0000156700000000, -0.0000162900000000, 0.0000426000000000 ] - [ -0.0000204200000000, -0.0000156800000000, -0.0000753700000000 ] - [ -0.0000929000000000, -0.0000929000000000, -0.0000046400000000 ] - [ 0.0000156800000000, 0.0000204200000000, -0.0000753700000000 ] - [ 0.0000156700000000, 0.0000162900000000, 0.0000426000000000 ] - [ 0.0000204200000000, 0.0000156800000000, -0.0000753700000000 ] - [ 0.0000929000000000, 0.0000929000000000, -0.0000046400000000 ] - [ -0.0000156800000000, -0.0000204200000000, -0.0000753700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000096000000000 ] - [ -0.0000162900000000, -0.0000156700000000, 0.0000426000000000 ] - [ 0.0001174400000000, -0.0001174400000000, -0.0000040000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000222600000000 ] - [ 0.0017576200000000, 0.0017576200000000, 0.0008461200000000 ] - [ 0.0016260800000000, -0.0016260800000000, 0.0008449000000000 ] - [ -0.0017576200000000, -0.0017576200000000, 0.0008461200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000162100000000 ] - [ -0.0016260800000000, 0.0016260800000000, 0.0008449000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000162100000000 ] - [ 0.0000432600000000, 0.0000432600000000, -0.0000251100000000 ] - [ -0.0000773700000000, 0.0000773700000000, -0.0000255000000000 ] - [ -0.0000432600000000, -0.0000432600000000, -0.0000251100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000162400000000 ] - [ 0.0000773700000000, -0.0000773700000000, -0.0000255000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000162400000000 ] - [ 0.0003987300000000, -0.0000297500000000, -0.0000164400000000 ] - [ -0.0001233700000000, 0.0000044300000000, -0.0000155500000000 ] - [ 0.0002082700000000, -0.0002082700000000, -0.0005746700000000 ] - [ 0.0002892900000000, 0.0002892900000000, -0.0008366900000000 ] - [ -0.0000297500000000, 0.0003987300000000, -0.0000164400000000 ] - [ -0.0003987300000000, 0.0000297500000000, -0.0000164400000000 ] - [ -0.0002892900000000, -0.0002892900000000, -0.0008366900000000 ] - [ 0.0000113100000000, -0.0000708300000000, -0.0000155300000000 ] - [ 0.0003094700000000, 0.0002721900000000, 0.0000096600000000 ] - [ -0.0000044300000000, 0.0001233700000000, -0.0000155500000000 ] - [ -0.0000708300000000, 0.0000113100000000, -0.0000155300000000 ] - [ 0.0000044300000000, -0.0001233700000000, -0.0000155500000000 ] - [ -0.0002736900000000, 0.0002736900000000, 0.0005430100000000 ] - [ 0.0003517300000000, 0.0003517300000000, 0.0008085400000000 ] - [ -0.0002721900000000, -0.0003094700000000, 0.0000096600000000 ] - [ 0.0000297500000000, -0.0003987300000000, -0.0000164400000000 ] - [ 0.0002721900000000, 0.0003094700000000, 0.0000096600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001155100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001481100000000 ] - [ -0.0003517300000000, -0.0003517300000000, 0.0008085400000000 ] - [ 0.0002736900000000, -0.0002736900000000, 0.0005430100000000 ] - [ 0.0001233700000000, -0.0000044300000000, -0.0000155500000000 ] - [ -0.0000113100000000, 0.0000708300000000, -0.0000155300000000 ] - [ 0.0000708300000000, -0.0000113100000000, -0.0000155300000000 ] - [ -0.0003094700000000, -0.0002721900000000, 0.0000096600000000 ] - [ -0.0002082700000000, 0.0002082700000000, -0.0005746700000000 ] - [ 0.0000448700000000, 0.0001539900000000, -0.0000154600000000 ] - [ -0.0000078500000000, -0.0000859600000000, -0.0000176600000000 ] - [ -0.0000608000000000, 0.0000608000000000, 0.0001886700000000 ] - [ 0.0000194900000000, 0.0000194900000000, -0.0000734300000000 ] - [ 0.0001539900000000, 0.0000448700000000, -0.0000154600000000 ] - [ -0.0000448700000000, -0.0001539900000000, -0.0000154600000000 ] - [ -0.0000194900000000, -0.0000194900000000, -0.0000734300000000 ] - [ 0.0001018200000000, 0.0000452200000000, -0.0000177800000000 ] - [ -0.0000238400000000, 0.0000872000000000, -0.0000155400000000 ] - [ 0.0000859600000000, 0.0000078500000000, -0.0000176600000000 ] - [ 0.0000452200000000, 0.0001018200000000, -0.0000177800000000 ] - [ -0.0000859600000000, -0.0000078500000000, -0.0000176600000000 ] - [ 0.0000513900000000, -0.0000513900000000, -0.0002112600000000 ] - [ 0.0000285700000000, 0.0000285700000000, 0.0000501900000000 ] - [ -0.0000872000000000, 0.0000238400000000, -0.0000155400000000 ] - [ -0.0001539900000000, -0.0000448700000000, -0.0000154600000000 ] - [ 0.0000872000000000, -0.0000238400000000, -0.0000155400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001481100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001155100000000 ] - [ -0.0000285700000000, -0.0000285700000000, 0.0000501900000000 ] - [ -0.0000513900000000, 0.0000513900000000, -0.0002112600000000 ] - [ 0.0000078500000000, 0.0000859600000000, -0.0000176600000000 ] - [ -0.0001018200000000, -0.0000452200000000, -0.0000177800000000 ] - [ -0.0000452200000000, -0.0001018200000000, -0.0000177800000000 ] - [ 0.0000238400000000, -0.0000872000000000, -0.0000155400000000 ] - [ 0.0000608000000000, -0.0000608000000000, 0.0001886700000000 ]- atom: 29 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001695400000000, -0.0000044000000000, 0.0000206800000000 ] - [ 0.0021803700000000, -0.0005889000000000, 0.0000000000000000 ] - [ 0.0006465800000000, -0.0008262500000000, -0.0006898800000000 ] - [ -0.0009308000000000, -0.0011213300000000, -0.0015353300000000 ] - [ 0.0000621100000000, 0.0003022100000000, 0.0000000000000000 ] - [ 0.0005817700000000, 0.0001206500000000, -0.0001501900000000 ] - [ 0.0005817700000000, 0.0001206500000000, 0.0001501900000000 ] - [ -0.0001695400000000, -0.0000044000000000, -0.0000206800000000 ] - [ 0.0001059700000000, 0.0000803100000000, 0.0000000000000000 ] - [ 0.0006465800000000, -0.0008262500000000, 0.0006898800000000 ] - [ -0.0006139200000000, 0.0015690000000000, 0.0016888200000000 ] - [ -0.0009308000000000, -0.0011213300000000, 0.0015353300000000 ] - [ -0.0000117000000000, -0.0004398200000000, 0.0000000000000000 ] - [ -0.0006139200000000, 0.0015690000000000, -0.0016888200000000 ] - [ 0.0004577700000000, 0.0001126000000000, 0.0000812500000000 ] - [ -0.0000571900000000, -0.0000577800000000, 0.0000000000000000 ] - [ 0.0001122700000000, -0.0001389000000000, -0.0000927500000000 ] - [ 0.0001757200000000, -0.0001160900000000, -0.0000154200000000 ] - [ 0.0002103900000000, 0.0000562300000000, 0.0000000000000000 ] - [ -0.0002616400000000, 0.0001276500000000, 0.0000487900000000 ] - [ -0.0002616400000000, 0.0001276500000000, -0.0000487900000000 ] - [ 0.0004577700000000, 0.0001126000000000, -0.0000812500000000 ] - [ 0.0016453300000000, 0.0026187400000000, 0.0000000000000000 ] - [ 0.0001122700000000, -0.0001389000000000, 0.0000927500000000 ] - [ 0.0002185600000000, 0.0000650300000000, -0.0000168800000000 ] - [ 0.0001757200000000, -0.0001160900000000, 0.0000154200000000 ] - [ 0.0004116200000000, -0.0001837300000000, 0.0000000000000000 ] - [ 0.0002185600000000, 0.0000650300000000, 0.0000168800000000 ] - [ -0.0617902400000000, 0.0064191800000000, 0.0000000000000000 ] - [ -0.0008548100000000, 0.0004139200000000, 0.0000000000000000 ] - [ -0.0006875200000000, 0.0014019000000000, 0.0000000000000000 ] - [ 0.0012126900000000, -0.0005891700000000, 0.0000000000000000 ] - [ -0.0005864800000000, -0.0004135600000000, 0.0000000000000000 ] - [ -0.0006817100000000, -0.0004336700000000, 0.0000000000000000 ] - [ 0.0002995200000000, 0.0000181600000000, 0.0000000000000000 ] - [ 0.0000717000000000, 0.0001784900000000, 0.0000000000000000 ] - [ 0.0004181600000000, 0.0003813700000000, 0.0000000000000000 ] - [ -0.0004782400000000, -0.0000638300000000, 0.0000000000000000 ] - [ 0.0007457100000000, -0.0001781000000000, 0.0000000000000000 ] - [ 0.0006523900000000, -0.0001329800000000, 0.0000000000000000 ] - [ 0.0005886600000000, 0.0006292900000000, 0.0000000000000000 ] - [ -0.0003599300000000, 0.0000789800000000, 0.0000000000000000 ] - [ 0.0001708300000000, 0.0002100800000000, 0.0000350700000000 ] - [ 0.0000198500000000, -0.0002852500000000, 0.0000556100000000 ] - [ 0.0011018100000000, 0.0002300500000000, 0.0000000000000000 ] - [ -0.0001255400000000, -0.0004011700000000, 0.0000000000000000 ] - [ 0.0062477700000000, 0.0057350700000000, 0.0140079200000000 ] - [ 0.0001713600000000, 0.0010845300000000, 0.0000000000000000 ] - [ -0.0004835400000000, -0.0012673200000000, 0.0000000000000000 ] - [ 0.0006228900000000, -0.0002750400000000, 0.0000000000000000 ] - [ -0.0001426500000000, 0.0002938700000000, 0.0000000000000000 ] - [ 0.0000334800000000, 0.0000400000000000, 0.0000000000000000 ] - [ -0.0001950700000000, -0.0001032700000000, -0.0008652700000000 ] - [ 0.0000198500000000, -0.0002852500000000, -0.0000556100000000 ] - [ 0.0453374000000000, -0.0090559100000000, 0.0000000000000000 ] - [ 0.0002853100000000, -0.0001031800000000, 0.0000000000000000 ] - [ 0.0010805600000000, -0.0002154200000000, 0.0000000000000000 ] - [ 0.0001521200000000, 0.0001651900000000, -0.0001358100000000 ] - [ 0.0001521200000000, 0.0001651900000000, 0.0001358100000000 ] - [ 0.0062477700000000, 0.0057350700000000, -0.0140079200000000 ] - [ 0.0001708300000000, 0.0002100800000000, -0.0000350700000000 ] - [ -0.0004900400000000, 0.0001979600000000, 0.0000000000000000 ] - [ 0.0001895200000000, 0.0000804400000000, 0.0000000000000000 ] - [ -0.0009959300000000, -0.0003126000000000, 0.0000000000000000 ] - [ 0.0027561600000000, -0.0113651200000000, 0.0000000000000000 ] - [ -0.0001950700000000, -0.0001032700000000, 0.0008652700000000 ] - [ -0.0001356800000000, 0.0001637700000000, 0.0000000000000000 ] - [ 0.0008657400000000, 0.0000448600000000, 0.0000000000000000 ] - [ -0.0004342500000000, 0.0002168300000000, 0.0001152700000000 ] - [ -0.0002450100000000, -0.0002861300000000, 0.0001030800000000 ] - [ -0.0000491400000000, 0.0000159500000000, 0.0000000000000000 ] - [ -0.0000964400000000, -0.0003599500000000, 0.0000000000000000 ] - [ -0.0001779400000000, -0.0000445700000000, -0.0001756700000000 ] - [ -0.0001633800000000, 0.0002190400000000, 0.0000000000000000 ] - [ -0.0000023500000000, -0.0001757800000000, 0.0000000000000000 ] - [ -0.0003667700000000, 0.0000680900000000, 0.0000000000000000 ] - [ 0.0000987800000000, 0.0002779400000000, 0.0000000000000000 ] - [ -0.0016911000000000, 0.0006240500000000, 0.0000000000000000 ] - [ 0.0000252400000000, -0.0000247900000000, -0.0001497500000000 ] - [ -0.0002450100000000, -0.0002861300000000, -0.0001030800000000 ] - [ -0.0003235000000000, 0.0000833700000000, 0.0000000000000000 ] - [ -0.0007045900000000, -0.0002345800000000, 0.0000000000000000 ] - [ -0.0003253900000000, -0.0000298000000000, 0.0000000000000000 ] - [ -0.0003493900000000, 0.0000795400000000, -0.0001367000000000 ] - [ -0.0003493900000000, 0.0000795400000000, 0.0001367000000000 ] - [ -0.0001779400000000, -0.0000445700000000, 0.0001756700000000 ] - [ -0.0004342500000000, 0.0002168300000000, -0.0001152700000000 ] - [ 0.0000357400000000, 0.0001795500000000, 0.0000000000000000 ] - [ -0.0005066400000000, -0.0001767700000000, 0.0000000000000000 ] - [ 0.0001827600000000, 0.0000415900000000, 0.0000000000000000 ] - [ -0.0001174800000000, -0.0000709100000000, 0.0000000000000000 ] - [ 0.0000252400000000, -0.0000247900000000, 0.0001497500000000 ]- atom: 29 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001698900000000, 0.0000316600000000, -0.0000209300000000 ] - [ -0.0022074400000000, 0.0006162700000000, 0.0000000000000000 ] - [ -0.0006769900000000, 0.0008233300000000, 0.0006846400000000 ] - [ 0.0009313700000000, 0.0010947700000000, 0.0015357300000000 ] - [ -0.0000331300000000, -0.0002743300000000, 0.0000000000000000 ] - [ -0.0005546000000000, -0.0001203700000000, 0.0001506200000000 ] - [ -0.0005546000000000, -0.0001203700000000, -0.0001506200000000 ] - [ 0.0001698900000000, 0.0000316600000000, 0.0000209300000000 ] - [ -0.0001346600000000, -0.0001087900000000, 0.0000000000000000 ] - [ -0.0006769900000000, 0.0008233300000000, -0.0006846400000000 ] - [ 0.0006157500000000, -0.0015745200000000, -0.0016958700000000 ] - [ 0.0009313700000000, 0.0010947700000000, -0.0015357300000000 ] - [ 0.0000382900000000, 0.0004137300000000, 0.0000000000000000 ] - [ 0.0006157500000000, -0.0015745200000000, 0.0016958700000000 ] - [ -0.0004583200000000, -0.0000835000000000, -0.0000795500000000 ] - [ 0.0000278900000000, 0.0000856100000000, 0.0000000000000000 ] - [ -0.0001409100000000, 0.0001387800000000, 0.0000928300000000 ] - [ -0.0001765100000000, 0.0000876700000000, 0.0000152400000000 ] - [ -0.0001829300000000, -0.0000286500000000, 0.0000000000000000 ] - [ 0.0002886800000000, -0.0001282100000000, -0.0000489100000000 ] - [ 0.0002886800000000, -0.0001282100000000, 0.0000489100000000 ] - [ -0.0004583200000000, -0.0000835000000000, 0.0000795500000000 ] - [ -0.0016658100000000, -0.0026214900000000, 0.0000000000000000 ] - [ -0.0001409100000000, 0.0001387800000000, -0.0000928300000000 ] - [ -0.0002196200000000, -0.0000652500000000, 0.0000170100000000 ] - [ -0.0001765100000000, 0.0000876700000000, -0.0000152400000000 ] - [ -0.0003843400000000, 0.0001561000000000, 0.0000000000000000 ] - [ -0.0002196200000000, -0.0000652500000000, -0.0000170100000000 ] - [ 0.0644558700000000, -0.0070296700000000, 0.0000000000000000 ] - [ 0.0007323300000000, -0.0002920100000000, 0.0000000000000000 ] - [ 0.0005650700000000, -0.0015253100000000, 0.0000000000000000 ] - [ -0.0012083500000000, 0.0005822100000000, 0.0000000000000000 ] - [ 0.0007085500000000, 0.0002924700000000, 0.0000000000000000 ] - [ 0.0006823100000000, 0.0004325500000000, 0.0000000000000000 ] - [ -0.0001793200000000, 0.0001030600000000, 0.0000000000000000 ] - [ -0.0001912400000000, -0.0000563300000000, 0.0000000000000000 ] - [ -0.0005413900000000, -0.0005038000000000, 0.0000000000000000 ] - [ 0.0004786000000000, 0.0000638900000000, 0.0000000000000000 ] - [ -0.0006251200000000, 0.0000562600000000, 0.0000000000000000 ] - [ -0.0006542600000000, 0.0001334500000000, 0.0000000000000000 ] - [ -0.0005211900000000, -0.0003956800000000, 0.0000000000000000 ] - [ 0.0003080700000000, -0.0000667200000000, 0.0000000000000000 ] - [ -0.0002538700000000, -0.0001284500000000, 0.0002346900000000 ] - [ 0.0000609900000000, 0.0003672500000000, -0.0003244600000000 ] - [ -0.0008679200000000, -0.0001612000000000, 0.0000000000000000 ] - [ 0.0000555700000000, 0.0001659800000000, 0.0000000000000000 ] - [ -0.0064162300000000, -0.0057938600000000, -0.0141890300000000 ] - [ -0.0001598400000000, -0.0010360000000000, 0.0000000000000000 ] - [ 0.0004182900000000, 0.0015038700000000, 0.0000000000000000 ] - [ -0.0006361500000000, 0.0003253900000000, 0.0000000000000000 ] - [ 0.0001943600000000, -0.0002793700000000, 0.0000000000000000 ] - [ -0.0000231900000000, -0.0000901400000000, 0.0000000000000000 ] - [ 0.0002772700000000, 0.0000209000000000, 0.0005973600000000 ] - [ 0.0000609900000000, 0.0003672500000000, 0.0003244600000000 ] - [ -0.0478014600000000, 0.0096971100000000, 0.0000000000000000 ] - [ -0.0005216800000000, 0.0000344100000000, 0.0000000000000000 ] - [ -0.0008443700000000, 0.0001493500000000, 0.0000000000000000 ] - [ -0.0001531000000000, -0.0001657600000000, 0.0001356200000000 ] - [ -0.0001531000000000, -0.0001657600000000, -0.0001356200000000 ] - [ -0.0064162300000000, -0.0057938600000000, 0.0141890300000000 ] - [ -0.0002538700000000, -0.0001284500000000, -0.0002346900000000 ] - [ 0.0005420900000000, -0.0002114100000000, 0.0000000000000000 ] - [ -0.0002021200000000, -0.0001303700000000, 0.0000000000000000 ] - [ 0.0009408500000000, 0.0002994600000000, 0.0000000000000000 ] - [ -0.0027770300000000, 0.0112373300000000, 0.0000000000000000 ] - [ 0.0002772700000000, 0.0000209000000000, -0.0005973600000000 ] - [ 0.0002041100000000, 0.0000710600000000, 0.0000000000000000 ] - [ -0.0009188800000000, -0.0000319700000000, 0.0000000000000000 ] - [ 0.0003513600000000, -0.0001349800000000, 0.0001530200000000 ] - [ 0.0003276800000000, 0.0003691700000000, -0.0003716600000000 ] - [ 0.0002828100000000, 0.0000529400000000, 0.0000000000000000 ] - [ 0.0000261800000000, 0.0001234100000000, 0.0000000000000000 ] - [ 0.0000953800000000, -0.0000370700000000, -0.0000932700000000 ] - [ 0.0001745800000000, -0.0001686100000000, 0.0000000000000000 ] - [ -0.0000678600000000, 0.0004113300000000, 0.0000000000000000 ] - [ 0.0003548200000000, -0.0000177100000000, 0.0000000000000000 ] - [ -0.0000493300000000, -0.0002667300000000, 0.0000000000000000 ] - [ 0.0016846000000000, -0.0006685000000000, 0.0000000000000000 ] - [ 0.0000564500000000, -0.0000574700000000, -0.0001191000000000 ] - [ 0.0003276800000000, 0.0003691700000000, 0.0003716600000000 ] - [ 0.0000883300000000, -0.0000138900000000, 0.0000000000000000 ] - [ 0.0004683700000000, 0.0001644700000000, 0.0000000000000000 ] - [ 0.0005607300000000, -0.0000402000000000, 0.0000000000000000 ] - [ 0.0003484500000000, -0.0000790700000000, 0.0001343600000000 ] - [ 0.0003484500000000, -0.0000790700000000, -0.0001343600000000 ] - [ 0.0000953800000000, -0.0000370700000000, 0.0000932700000000 ] - [ 0.0003513600000000, -0.0001349800000000, -0.0001530200000000 ] - [ 0.0000134700000000, -0.0001914600000000, 0.0000000000000000 ] - [ 0.0004947700000000, 0.0001265600000000, 0.0000000000000000 ] - [ -0.0002344400000000, -0.0000538200000000, 0.0000000000000000 ] - [ 0.0001862600000000, -0.0001641200000000, 0.0000000000000000 ] - [ 0.0000564500000000, -0.0000574700000000, 0.0001191000000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000013600000000, 0.0000197600000000, -0.0000000200000000 ] - [ -0.0000107800000000, 0.0000117700000000, 0.0000520300000000 ] - [ -0.0010468400000000, 0.0013047900000000, 0.0003091400000000 ] - [ -0.0013059800000000, 0.0010200400000000, 0.0003082100000000 ] - [ 0.0000127000000000, 0.0000127000000000, 0.0042246200000000 ] - [ 0.0000103100000000, -0.0000003800000000, -0.0000004800000000 ] - [ 0.0000197600000000, 0.0000013600000000, -0.0000000200000000 ] - [ -0.0000003800000000, 0.0000103100000000, -0.0000004800000000 ] - [ -0.0000119900000000, -0.0000119900000000, 0.0000193600000000 ] - [ 0.0010200400000000, -0.0013059800000000, 0.0003082100000000 ] - [ 0.0014361000000000, 0.0014361000000000, 0.0008614600000000 ] - [ 0.0013047900000000, -0.0010468400000000, 0.0003091400000000 ] - [ 0.0000117700000000, -0.0000107800000000, 0.0000520300000000 ] - [ -0.0014475400000000, -0.0014475400000000, 0.0008642100000000 ] - [ 0.0002116900000000, -0.0000203600000000, -0.0000111200000000 ] - [ -0.0000118700000000, 0.0000121800000000, 0.0000210000000000 ] - [ -0.0000346900000000, 0.0000150300000000, 0.0000007100000000 ] - [ -0.0000145400000000, 0.0000051100000000, 0.0000007900000000 ] - [ 0.0000122800000000, 0.0000122800000000, -0.0000129800000000 ] - [ 0.0000506600000000, -0.0002112300000000, -0.0000111600000000 ] - [ -0.0000203600000000, 0.0002116900000000, -0.0000111200000000 ] - [ -0.0002112300000000, 0.0000506600000000, -0.0000111600000000 ] - [ -0.0000134100000000, -0.0000134100000000, -0.0027593300000000 ] - [ 0.0000051100000000, -0.0000145400000000, 0.0000007900000000 ] - [ 0.0000564800000000, 0.0000564800000000, -0.0000086400000000 ] - [ 0.0000150300000000, -0.0000346900000000, 0.0000007100000000 ] - [ 0.0000121800000000, -0.0000118700000000, 0.0000210000000000 ] - [ -0.0000560600000000, -0.0000560600000000, -0.0000086900000000 ] - [ -0.0007851200000000, -0.0007851200000000, -0.0833071900000000 ] - [ -0.0000620100000000, 0.0000608600000000, 0.0000709900000000 ] - [ -0.0000598800000000, -0.0000598800000000, -0.0001291700000000 ] - [ 0.0000003900000000, 0.0000000100000000, -0.0000577900000000 ] - [ 0.0000608600000000, -0.0000620100000000, 0.0000709900000000 ] - [ 0.0000000100000000, 0.0000003900000000, -0.0000577900000000 ] - [ 0.0000607000000000, 0.0000607000000000, 0.0000115700000000 ] - [ -0.0000604000000000, 0.0000608900000000, -0.0000230100000000 ] - [ -0.0000603400000000, -0.0000603400000000, 0.0013888000000000 ] - [ 0.0000005000000000, 0.0000001600000000, 0.0000744300000000 ] - [ 0.0000608900000000, -0.0000604000000000, -0.0000230100000000 ] - [ 0.0000001600000000, 0.0000005000000000, 0.0000744300000000 ] - [ 0.0000341200000000, 0.0001227200000000, -0.0008914900000000 ] - [ -0.0000263300000000, 0.0000081200000000, -0.0000143600000000 ] - [ -0.0000036700000000, 0.0000680700000000, 0.0001082800000000 ] - [ 0.0000680900000000, 0.0000680900000000, -0.0001054300000000 ] - [ 0.0001227200000000, 0.0000341200000000, -0.0008914900000000 ] - [ -0.0000335300000000, -0.0001206500000000, -0.0001522000000000 ] - [ 0.0165429800000000, 0.0165429800000000, 0.0406008600000000 ] - [ 0.0000083400000000, 0.0000270500000000, 0.0001842300000000 ] - [ -0.0000345600000000, 0.0001197800000000, 0.0001101400000000 ] - [ -0.0000083000000000, 0.0000268800000000, -0.0004504300000000 ] - [ 0.0000270500000000, 0.0000083400000000, 0.0001842300000000 ] - [ 0.0000081200000000, -0.0000263300000000, -0.0000143600000000 ] - [ 0.0000137200000000, -0.0000766800000000, -0.0001544100000000 ] - [ 0.0000125600000000, 0.0000125600000000, 0.0001550800000000 ] - [ -0.0000044000000000, -0.0000012700000000, 0.0004348800000000 ] - [ -0.0001206500000000, -0.0000335300000000, -0.0001522000000000 ] - [ 0.0001197800000000, -0.0000345600000000, 0.0001101400000000 ] - [ 0.0000055900000000, 0.0001066900000000, 0.0000165500000000 ] - [ -0.0000053000000000, -0.0001067800000000, 0.0000167200000000 ] - [ -0.0158621300000000, -0.0158621300000000, 0.0392825100000000 ] - [ -0.0000766800000000, 0.0000137200000000, -0.0001544100000000 ] - [ 0.0000268800000000, -0.0000083000000000, -0.0004504300000000 ] - [ -0.0000080300000000, -0.0000264800000000, 0.0000320400000000 ] - [ -0.0000264800000000, -0.0000080300000000, 0.0000320400000000 ] - [ -0.0000012700000000, -0.0000044000000000, 0.0004348800000000 ] - [ 0.0000680700000000, -0.0000036700000000, 0.0001082800000000 ] - [ 0.0000342700000000, 0.0001210300000000, 0.0000109200000000 ] - [ -0.0000259000000000, 0.0000079300000000, 0.0006180400000000 ] - [ -0.0000409700000000, 0.0000518900000000, 0.0001399000000000 ] - [ 0.0005422100000000, 0.0005422100000000, -0.0008756400000000 ] - [ 0.0001210300000000, 0.0000342700000000, 0.0000109200000000 ] - [ -0.0000341600000000, -0.0001210100000000, 0.0000658900000000 ] - [ -0.0000410100000000, -0.0000410100000000, -0.0001360700000000 ] - [ 0.0000079300000000, 0.0000268700000000, -0.0002111300000000 ] - [ -0.0000341200000000, 0.0001211500000000, -0.0002360000000000 ] - [ -0.0000079800000000, 0.0000267800000000, 0.0000170000000000 ] - [ 0.0000268700000000, 0.0000079300000000, -0.0002111300000000 ] - [ 0.0000079300000000, -0.0000259000000000, 0.0006180400000000 ] - [ 0.0000290100000000, -0.0000392000000000, -0.0001212000000000 ] - [ -0.0004622300000000, -0.0004622300000000, -0.0006171000000000 ] - [ -0.0001207700000000, 0.0000344900000000, -0.0000084500000000 ] - [ -0.0001210100000000, -0.0000341600000000, 0.0000658900000000 ] - [ 0.0001211500000000, -0.0000341200000000, -0.0002360000000000 ] - [ -0.0001067800000000, -0.0000053000000000, 0.0000167200000000 ] - [ 0.0001066900000000, 0.0000055900000000, 0.0000165500000000 ] - [ -0.0000390600000000, -0.0000390600000000, 0.0001253000000000 ] - [ -0.0000392000000000, 0.0000290100000000, -0.0001212000000000 ] - [ 0.0000267800000000, -0.0000079800000000, 0.0000170000000000 ] - [ -0.0000077500000000, -0.0000263500000000, -0.0000354000000000 ] - [ -0.0000263500000000, -0.0000077500000000, -0.0000354000000000 ] - [ 0.0000344900000000, -0.0001207700000000, -0.0000084500000000 ] - [ 0.0000518900000000, -0.0000409700000000, 0.0001399000000000 ]- atom: 32 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003431600000000, -0.0000093300000000, -0.0000459200000000 ] - [ 0.0013944800000000, 0.0008040500000000, 0.0000000000000000 ] - [ 0.0010372000000000, 0.0000123100000000, 0.0022175500000000 ] - [ 0.0003432200000000, -0.0000302600000000, -0.0000459100000000 ] - [ 0.0001407100000000, -0.0001305900000000, 0.0000000000000000 ] - [ 0.0010634400000000, 0.0000121500000000, 0.0022306400000000 ] - [ 0.0010634400000000, 0.0000121500000000, -0.0022306400000000 ] - [ 0.0003431600000000, -0.0000093300000000, 0.0000459200000000 ] - [ 0.0001062800000000, -0.0001633200000000, 0.0000000000000000 ] - [ 0.0010372000000000, 0.0000123100000000, -0.0022175500000000 ] - [ 0.0006490400000000, 0.0000333100000000, -0.0000003100000000 ] - [ 0.0003432200000000, -0.0000302600000000, 0.0000459100000000 ] - [ 0.0014262400000000, 0.0007700600000000, 0.0000000000000000 ] - [ 0.0006490400000000, 0.0000333100000000, 0.0000003100000000 ] - [ -0.0017604400000000, 0.0000080000000000, 0.0000313200000000 ] - [ -0.0001063300000000, 0.0001222400000000, 0.0000000000000000 ] - [ 0.0001461300000000, 0.0000029700000000, 0.0000502700000000 ] - [ -0.0017601500000000, -0.0000083700000000, 0.0000296400000000 ] - [ 0.0005654100000000, -0.0013142900000000, 0.0000000000000000 ] - [ 0.0001674900000000, 0.0000028000000000, 0.0000502100000000 ] - [ 0.0001674900000000, 0.0000028000000000, -0.0000502100000000 ] - [ -0.0017604400000000, 0.0000080000000000, -0.0000313200000000 ] - [ 0.0005311600000000, -0.0013464300000000, 0.0000000000000000 ] - [ 0.0001461300000000, 0.0000029700000000, -0.0000502700000000 ] - [ -0.0003217700000000, 0.0000065000000000, 0.0000002300000000 ] - [ -0.0017601500000000, -0.0000083700000000, -0.0000296400000000 ] - [ -0.0000740700000000, 0.0000882900000000, 0.0000000000000000 ] - [ -0.0003217700000000, 0.0000065000000000, -0.0000002300000000 ] - [ 0.0012726900000000, -0.0003706800000000, 0.0000000000000000 ] - [ 0.0005919500000000, 0.0001257900000000, 0.0000000000000000 ] - [ 0.0011486100000000, -0.0004958200000000, 0.0000000000000000 ] - [ -0.0406675700000000, 0.0000000700000000, 0.0000000000000000 ] - [ 0.0007152700000000, 0.0000024000000000, 0.0000000000000000 ] - [ 0.0007180600000000, -0.0000573300000000, 0.0000000000000000 ] - [ -0.0004168100000000, -0.0000713300000000, 0.0000000000000000 ] - [ -0.0007444100000000, 0.0006467900000000, 0.0000000000000000 ] - [ -0.0005394200000000, -0.0001954400000000, 0.0000000000000000 ] - [ 0.0004069800000000, -0.0000000700000000, 0.0000000000000000 ] - [ -0.0006200000000000, 0.0005244900000000, 0.0000000000000000 ] - [ -0.0003745200000000, 0.0000257800000000, 0.0000000000000000 ] - [ -0.0003794700000000, 0.0000664000000000, 0.0000000000000000 ] - [ 0.0007652900000000, -0.0002224900000000, 0.0000000000000000 ] - [ -0.0003768100000000, -0.0000730300000000, 0.0004319400000000 ] - [ -0.0005222100000000, 0.0002382800000000, -0.0002767200000000 ] - [ -0.0004695600000000, -0.0000599500000000, 0.0000000000000000 ] - [ -0.0004508000000000, -0.0001631000000000, 0.0000000000000000 ] - [ -0.0006059800000000, 0.0001537800000000, -0.0000003200000000 ] - [ -0.0003699300000000, -0.0002074300000000, 0.0000000000000000 ] - [ -0.0008264700000000, 0.0004055700000000, 0.0000000000000000 ] - [ -0.0002189000000000, 0.0001140300000000, 0.0000000000000000 ] - [ 0.0093242200000000, 0.0074742100000000, 0.0000000000000000 ] - [ -0.0002097700000000, 0.0000643900000000, 0.0000000000000000 ] - [ -0.0002933700000000, -0.0001571100000000, 0.0001557100000000 ] - [ -0.0005222100000000, 0.0002382800000000, 0.0002767200000000 ] - [ -0.0009823600000000, 0.0002056500000000, 0.0000000000000000 ] - [ -0.0006994900000000, -0.0001305600000000, 0.0000000000000000 ] - [ -0.0007533600000000, 0.0001354200000000, 0.0000000000000000 ] - [ -0.0001686500000000, 0.0000117800000000, 0.0000001100000000 ] - [ -0.0001686500000000, 0.0000117800000000, -0.0000001100000000 ] - [ -0.0006059800000000, 0.0001537800000000, 0.0000003200000000 ] - [ -0.0003768100000000, -0.0000730300000000, -0.0004319400000000 ] - [ 0.0008069400000000, -0.0002260800000000, 0.0000000000000000 ] - [ -0.0003791000000000, -0.0002566400000000, 0.0000000000000000 ] - [ 0.0095997400000000, 0.0078936500000000, 0.0000000000000000 ] - [ -0.0007534300000000, 0.0001758600000000, 0.0000000000000000 ] - [ -0.0002933700000000, -0.0001571100000000, -0.0001557100000000 ] - [ 0.0002039800000000, 0.0001282400000000, 0.0000000000000000 ] - [ -0.0004657100000000, 0.0002310800000000, 0.0000000000000000 ] - [ 0.0000894900000000, -0.0003854200000000, 0.0002735600000000 ] - [ 0.0002174200000000, 0.0001993500000000, -0.0004137500000000 ] - [ 0.0010077500000000, 0.0001735700000000, 0.0000000000000000 ] - [ 0.0001334800000000, -0.0001006500000000, 0.0000000000000000 ] - [ 0.0001340300000000, 0.0001154600000000, 0.0001375800000000 ] - [ 0.0007395500000000, 0.0002277600000000, 0.0000000000000000 ] - [ 0.0000537500000000, 0.0001974600000000, 0.0000000000000000 ] - [ 0.0099284500000000, -0.0074900600000000, 0.0000000000000000 ] - [ -0.0002019200000000, -0.0000856100000000, 0.0000000000000000 ] - [ 0.0096267600000000, -0.0071156300000000, 0.0000000000000000 ] - [ 0.0001732000000000, -0.0004684200000000, -0.0000035600000000 ] - [ 0.0002174200000000, 0.0001993500000000, 0.0004137500000000 ] - [ 0.0002688500000000, -0.0000174300000000, 0.0000000000000000 ] - [ 0.0007776800000000, 0.0001014600000000, 0.0000000000000000 ] - [ 0.0004976800000000, -0.0000875800000000, 0.0000000000000000 ] - [ 0.0003238400000000, -0.0000032900000000, -0.0000389000000000 ] - [ 0.0003238400000000, -0.0000032900000000, 0.0000389000000000 ] - [ 0.0001340300000000, 0.0001154600000000, -0.0001375800000000 ] - [ 0.0000894900000000, -0.0003854200000000, -0.0002735600000000 ] - [ -0.0004164700000000, 0.0002219100000000, 0.0000000000000000 ] - [ 0.0007377500000000, 0.0001847000000000, 0.0000000000000000 ] - [ -0.0002509800000000, -0.0000945900000000, 0.0000000000000000 ] - [ 0.0001246300000000, -0.0000311700000000, 0.0000000000000000 ] - [ 0.0001732000000000, -0.0004684200000000, 0.0000035600000000 ]- atom: 32 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000015000000000, 0.0000210600000000, 0.0000003200000000 ] - [ -0.0000146600000000, 0.0000111600000000, 0.0000156800000000 ] - [ 0.0017411800000000, -0.0000003900000000, 0.0002655800000000 ] - [ 0.0000015500000000, -0.0000089400000000, -0.0000002800000000 ] - [ 0.0000109800000000, 0.0000131500000000, 0.0000225400000000 ] - [ 0.0017841100000000, -0.0000005200000000, 0.0002572600000000 ] - [ -0.0017411800000000, 0.0000003900000000, 0.0002655800000000 ] - [ -0.0000015500000000, 0.0000089400000000, -0.0000002800000000 ] - [ -0.0000109800000000, -0.0000131500000000, 0.0000225400000000 ] - [ -0.0017841100000000, 0.0000005200000000, 0.0002572600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000008500000000 ] - [ -0.0000015000000000, -0.0000210600000000, 0.0000003200000000 ] - [ 0.0000146600000000, -0.0000111600000000, 0.0000156800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000003600000000 ] - [ 0.0000005200000000, 0.0017841100000000, 0.0002572600000000 ] - [ -0.0000131500000000, 0.0000109800000000, 0.0000225400000000 ] - [ -0.0000089400000000, -0.0000015500000000, -0.0000002800000000 ] - [ 0.0000003900000000, 0.0017411800000000, 0.0002655800000000 ] - [ 0.0000111600000000, 0.0000146600000000, 0.0000156800000000 ] - [ 0.0000210600000000, -0.0000015000000000, 0.0000003200000000 ] - [ 0.0000089400000000, 0.0000015500000000, -0.0000002800000000 ] - [ -0.0000003900000000, -0.0017411800000000, 0.0002655800000000 ] - [ -0.0000111600000000, -0.0000146600000000, 0.0000156800000000 ] - [ -0.0000210600000000, 0.0000015000000000, 0.0000003200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000003600000000 ] - [ -0.0000005200000000, -0.0017841100000000, 0.0002572600000000 ] - [ 0.0000131500000000, -0.0000109800000000, 0.0000225400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000008500000000 ] - [ 0.0000612500000000, 0.0000601800000000, -0.0000577300000000 ] - [ -0.0000600300000000, 0.0000614900000000, 0.0000745500000000 ] - [ -0.0000612500000000, -0.0000601800000000, -0.0000577300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0438679000000000 ] - [ 0.0000600300000000, -0.0000614900000000, 0.0000745500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000002500000000 ] - [ 0.0000614900000000, 0.0000600300000000, 0.0000745500000000 ] - [ -0.0000601800000000, 0.0000612500000000, -0.0000577300000000 ] - [ -0.0000614900000000, -0.0000600300000000, 0.0000745500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000007100000000 ] - [ 0.0000601800000000, -0.0000612500000000, -0.0000577300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0153553600000000 ] - [ 0.0000352400000000, 0.0001210500000000, -0.0001838800000000 ] - [ -0.0000301300000000, 0.0000111600000000, -0.0021709400000000 ] - [ -0.0000037600000000, 0.0000923500000000, 0.0000925100000000 ] - [ 0.0000222500000000, 0.0000869800000000, -0.0000815600000000 ] - [ 0.0001203600000000, 0.0000340300000000, -0.0000092500000000 ] - [ -0.0000352400000000, -0.0001210500000000, -0.0001838800000000 ] - [ -0.0000222500000000, -0.0000869800000000, -0.0000815600000000 ] - [ 0.0000078800000000, 0.0000265300000000, 0.0000074900000000 ] - [ -0.0000339000000000, 0.0001200100000000, 0.0001648500000000 ] - [ -0.0000074300000000, 0.0000259600000000, -0.0000075500000000 ] - [ 0.0000479900000000, 0.0000302000000000, 0.0017427100000000 ] - [ 0.0000074300000000, -0.0000259600000000, -0.0000075500000000 ] - [ 0.0000757800000000, 0.0000111100000000, -0.0001712200000000 ] - [ 0.0000585800000000, -0.0000065200000000, 0.0001787900000000 ] - [ -0.0001203700000000, 0.0000343300000000, 0.0000093700000000 ] - [ -0.0001203600000000, -0.0000340300000000, -0.0000092500000000 ] - [ 0.0001203700000000, -0.0000343300000000, 0.0000093700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000006000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000003500000000 ] - [ -0.0000585800000000, 0.0000065200000000, 0.0001787900000000 ] - [ -0.0000757800000000, -0.0000111100000000, -0.0001712200000000 ] - [ 0.0000301300000000, -0.0000111600000000, -0.0021709400000000 ] - [ -0.0000078800000000, -0.0000265300000000, 0.0000074900000000 ] - [ -0.0000479900000000, -0.0000302000000000, 0.0017427100000000 ] - [ 0.0000339000000000, -0.0001200100000000, 0.0001648500000000 ] - [ 0.0000037600000000, -0.0000923500000000, 0.0000925100000000 ] - [ 0.0000343300000000, 0.0001203700000000, 0.0000093700000000 ] - [ -0.0000265300000000, 0.0000078800000000, 0.0000074900000000 ] - [ 0.0000065200000000, 0.0000585800000000, 0.0001787900000000 ] - [ -0.0000111100000000, 0.0000757800000000, -0.0001712200000000 ] - [ 0.0001200100000000, 0.0000339000000000, 0.0001648500000000 ] - [ -0.0000343300000000, -0.0001203700000000, 0.0000093700000000 ] - [ 0.0000111100000000, -0.0000757800000000, -0.0001712200000000 ] - [ 0.0000111600000000, 0.0000301300000000, -0.0021709400000000 ] - [ -0.0000340300000000, 0.0001203600000000, -0.0000092500000000 ] - [ -0.0000302000000000, 0.0000479900000000, 0.0017427100000000 ] - [ 0.0000259600000000, 0.0000074300000000, -0.0000075500000000 ] - [ 0.0000302000000000, -0.0000479900000000, 0.0017427100000000 ] - [ 0.0000869800000000, -0.0000222500000000, -0.0000815600000000 ] - [ 0.0000923500000000, 0.0000037600000000, 0.0000925100000000 ] - [ -0.0001210500000000, 0.0000352400000000, -0.0001838800000000 ] - [ -0.0001200100000000, -0.0000339000000000, 0.0001648500000000 ] - [ 0.0001210500000000, -0.0000352400000000, -0.0001838800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0144979000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0134174200000000 ] - [ -0.0000923500000000, -0.0000037600000000, 0.0000925100000000 ] - [ -0.0000869800000000, 0.0000222500000000, -0.0000815600000000 ] - [ 0.0000265300000000, -0.0000078800000000, 0.0000074900000000 ] - [ -0.0000111600000000, -0.0000301300000000, -0.0021709400000000 ] - [ -0.0000259600000000, -0.0000074300000000, -0.0000075500000000 ] - [ 0.0000340300000000, -0.0001203600000000, -0.0000092500000000 ] - [ -0.0000065200000000, -0.0000585800000000, 0.0001787900000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000693500000000, -0.0002595400000000, 0.0002243800000000 ] - [ -0.0001448300000000, 0.0000703700000000, 0.0000000000000000 ] - [ 0.0011516700000000, -0.0000351100000000, 0.0006751000000000 ] - [ 0.0001244100000000, 0.0000648700000000, -0.0001130200000000 ] - [ 0.0003607300000000, 0.0002780000000000, 0.0000000000000000 ] - [ -0.0003335800000000, 0.0000250600000000, -0.0000155200000000 ] - [ -0.0003335800000000, 0.0000250600000000, 0.0000155200000000 ] - [ 0.0000693500000000, -0.0002595400000000, -0.0002243800000000 ] - [ -0.0004905900000000, -0.0001204200000000, 0.0000000000000000 ] - [ 0.0011516700000000, -0.0000351100000000, -0.0006751000000000 ] - [ 0.0003976500000000, 0.0003134100000000, 0.0003670900000000 ] - [ 0.0001244100000000, 0.0000648700000000, 0.0001130200000000 ] - [ 0.0002407900000000, 0.0000894800000000, 0.0000000000000000 ] - [ 0.0003976500000000, 0.0003134100000000, -0.0003670900000000 ] - [ -0.0001745600000000, -0.0001440900000000, 0.0000814600000000 ] - [ 0.0002401400000000, 0.0001229800000000, 0.0000000000000000 ] - [ -0.0000973100000000, -0.0000305500000000, -0.0000236100000000 ] - [ -0.0001351400000000, 0.0001715600000000, -0.0000530300000000 ] - [ -0.0001456400000000, -0.0000124100000000, 0.0000000000000000 ] - [ 0.0001314200000000, -0.0000655000000000, -0.0000017000000000 ] - [ 0.0001314200000000, -0.0000655000000000, 0.0000017000000000 ] - [ -0.0001745600000000, -0.0001440900000000, -0.0000814600000000 ] - [ 0.0000430000000000, -0.0001591200000000, 0.0000000000000000 ] - [ -0.0000973100000000, -0.0000305500000000, 0.0000236100000000 ] - [ -0.0000480000000000, -0.0000381100000000, 0.0000105600000000 ] - [ -0.0001351400000000, 0.0001715600000000, 0.0000530300000000 ] - [ -0.0001703900000000, -0.0000068500000000, 0.0000000000000000 ] - [ -0.0000480000000000, -0.0000381100000000, -0.0000105600000000 ] - [ 0.0006155700000000, 0.0002566900000000, 0.0000000000000000 ] - [ -0.0005127800000000, 0.0002418400000000, 0.0000000000000000 ] - [ -0.0001507600000000, -0.0001280400000000, 0.0000000000000000 ] - [ -0.0004157800000000, 0.0000527000000000, 0.0000000000000000 ] - [ 0.0028814000000000, 0.0093303500000000, 0.0000000000000000 ] - [ 0.0000887200000000, -0.0000955600000000, 0.0000000000000000 ] - [ -0.0001090600000000, 0.0000420000000000, 0.0000000000000000 ] - [ -0.0000262000000000, 0.0000557200000000, 0.0000000000000000 ] - [ -0.0001205200000000, -0.0002606300000000, 0.0000000000000000 ] - [ 0.0001694700000000, -0.0001711200000000, 0.0000000000000000 ] - [ -0.0000911200000000, -0.0001087400000000, 0.0000000000000000 ] - [ -0.0007895700000000, 0.0001378800000000, 0.0000000000000000 ] - [ -0.0103824200000000, -0.0091323000000000, 0.0000000000000000 ] - [ 0.0003640600000000, -0.0001319600000000, 0.0000000000000000 ] - [ -0.0009594700000000, 0.0001173000000000, 0.0001791300000000 ] - [ 0.0001831800000000, 0.0000806500000000, -0.0000491700000000 ] - [ 0.0027257000000000, -0.0036904500000000, 0.0000000000000000 ] - [ 0.0002818200000000, -0.0002600500000000, 0.0000000000000000 ] - [ -0.0003490000000000, 0.0000239300000000, -0.0003834100000000 ] - [ 0.0000184600000000, 0.0000273700000000, 0.0000000000000000 ] - [ 0.0002116000000000, 0.0000486100000000, 0.0000000000000000 ] - [ -0.0002269000000000, 0.0001774000000000, 0.0000000000000000 ] - [ 0.0001768500000000, -0.0002706700000000, 0.0000000000000000 ] - [ 0.0000248900000000, 0.0001841200000000, 0.0000000000000000 ] - [ 0.0002138500000000, -0.0001401300000000, -0.0002774300000000 ] - [ 0.0001831800000000, 0.0000806500000000, 0.0000491700000000 ] - [ -0.0004103000000000, -0.0000670000000000, 0.0000000000000000 ] - [ 0.0023241400000000, 0.0024268700000000, 0.0000000000000000 ] - [ 0.0000379800000000, 0.0000667200000000, 0.0000000000000000 ] - [ -0.0000332600000000, 0.0000495800000000, -0.0000259100000000 ] - [ -0.0000332600000000, 0.0000495800000000, 0.0000259100000000 ] - [ -0.0003490000000000, 0.0000239300000000, 0.0003834100000000 ] - [ -0.0009594700000000, 0.0001173000000000, -0.0001791300000000 ] - [ 0.0009024500000000, 0.0002074500000000, 0.0000000000000000 ] - [ -0.0000927100000000, 0.0000347800000000, 0.0000000000000000 ] - [ 0.0002420600000000, 0.0000684300000000, 0.0000000000000000 ] - [ -0.0003856800000000, -0.0001927700000000, 0.0000000000000000 ] - [ 0.0002138500000000, -0.0001401300000000, 0.0002774300000000 ] - [ 0.0001007300000000, 0.0001606800000000, 0.0000000000000000 ] - [ -0.0001653400000000, 0.0000949300000000, 0.0000000000000000 ] - [ 0.0000593500000000, 0.0000491700000000, 0.0001124300000000 ] - [ 0.0000682000000000, 0.0001787300000000, -0.0000934000000000 ] - [ 0.0001259800000000, -0.0000094000000000, 0.0000000000000000 ] - [ -0.0000513100000000, -0.0000717500000000, 0.0000000000000000 ] - [ 0.0000782600000000, -0.0000139700000000, -0.0001230900000000 ] - [ 0.0005866900000000, -0.0003198200000000, 0.0000000000000000 ] - [ -0.0000800400000000, 0.0002232600000000, 0.0000000000000000 ] - [ 0.0002450400000000, -0.0000960600000000, 0.0000000000000000 ] - [ 0.0000349900000000, -0.0000256300000000, 0.0000000000000000 ] - [ 0.0002041300000000, 0.0001600600000000, 0.0000000000000000 ] - [ -0.0000441700000000, -0.0000359500000000, -0.0001054200000000 ] - [ 0.0000682000000000, 0.0001787300000000, 0.0000934000000000 ] - [ -0.0000100700000000, -0.0000390500000000, 0.0000000000000000 ] - [ -0.0000038000000000, 0.0000537100000000, 0.0000000000000000 ] - [ 0.0001942100000000, 0.0000392700000000, 0.0000000000000000 ] - [ 0.0002768300000000, -0.0000226000000000, -0.0001216900000000 ] - [ 0.0002768300000000, -0.0000226000000000, 0.0001216900000000 ] - [ 0.0000782600000000, -0.0000139700000000, 0.0001230900000000 ] - [ 0.0000593500000000, 0.0000491700000000, -0.0001124300000000 ] - [ 0.0000530000000000, 0.0000614600000000, 0.0000000000000000 ] - [ 0.0003509500000000, 0.0000652500000000, 0.0000000000000000 ] - [ -0.0001302000000000, 0.0001159700000000, 0.0000000000000000 ] - [ 0.0001011000000000, -0.0001019300000000, 0.0000000000000000 ] - [ -0.0000441700000000, -0.0000359500000000, 0.0001054200000000 ]- atom: 41 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000711500000000, 0.0002917100000000, -0.0002243400000000 ] - [ 0.0001205800000000, -0.0000467100000000, 0.0000000000000000 ] - [ -0.0011473100000000, 0.0000323000000000, -0.0006286300000000 ] - [ -0.0001244700000000, -0.0000970500000000, 0.0001126800000000 ] - [ -0.0003393000000000, -0.0002514700000000, 0.0000000000000000 ] - [ 0.0003657200000000, -0.0000251000000000, 0.0000154900000000 ] - [ 0.0003657200000000, -0.0000251000000000, -0.0000154900000000 ] - [ -0.0000711500000000, 0.0002917100000000, 0.0002243400000000 ] - [ 0.0004666100000000, 0.0000970500000000, 0.0000000000000000 ] - [ -0.0011473100000000, 0.0000323000000000, 0.0006286300000000 ] - [ -0.0004227000000000, -0.0003164600000000, -0.0003425100000000 ] - [ -0.0001244700000000, -0.0000970500000000, -0.0001126800000000 ] - [ -0.0002158600000000, -0.0001127900000000, 0.0000000000000000 ] - [ -0.0004227000000000, -0.0003164600000000, 0.0003425100000000 ] - [ 0.0001739100000000, 0.0001762600000000, -0.0000816500000000 ] - [ -0.0002611600000000, -0.0000997800000000, 0.0000000000000000 ] - [ 0.0000642900000000, 0.0000306700000000, 0.0000237400000000 ] - [ 0.0001354000000000, -0.0002027800000000, 0.0000526800000000 ] - [ 0.0001693800000000, 0.0000367800000000, 0.0000000000000000 ] - [ -0.0000986500000000, 0.0000648500000000, 0.0000016100000000 ] - [ -0.0000986500000000, 0.0000648500000000, -0.0000016100000000 ] - [ 0.0001739100000000, 0.0001762600000000, 0.0000816500000000 ] - [ -0.0000664000000000, 0.0001349200000000, 0.0000000000000000 ] - [ 0.0000642900000000, 0.0000306700000000, -0.0000237400000000 ] - [ 0.0000482400000000, 0.0000380100000000, -0.0000105000000000 ] - [ 0.0001354000000000, -0.0002027800000000, -0.0000526800000000 ] - [ 0.0001932300000000, -0.0000168900000000, 0.0000000000000000 ] - [ 0.0000482400000000, 0.0000380100000000, 0.0000105000000000 ] - [ -0.0004953100000000, -0.0001349700000000, 0.0000000000000000 ] - [ 0.0003875900000000, -0.0001235800000000, 0.0000000000000000 ] - [ 0.0000289200000000, 0.0000088500000000, 0.0000000000000000 ] - [ 0.0004146500000000, -0.0000521600000000, 0.0000000000000000 ] - [ -0.0026524400000000, -0.0094112400000000, 0.0000000000000000 ] - [ -0.0000894500000000, 0.0000951100000000, 0.0000000000000000 ] - [ 0.0002298700000000, 0.0000791200000000, 0.0000000000000000 ] - [ -0.0000931100000000, 0.0000647000000000, 0.0000000000000000 ] - [ -0.0000004200000000, 0.0001388200000000, 0.0000000000000000 ] - [ -0.0001699900000000, 0.0001702600000000, 0.0000000000000000 ] - [ 0.0002116000000000, -0.0000121800000000, 0.0000000000000000 ] - [ 0.0007875400000000, -0.0001373000000000, 0.0000000000000000 ] - [ 0.0103639100000000, 0.0092447600000000, 0.0000000000000000 ] - [ -0.0004155200000000, 0.0001469600000000, 0.0000000000000000 ] - [ 0.0008768500000000, -0.0000206700000000, 0.0000970700000000 ] - [ -0.0001027600000000, -0.0000007800000000, -0.0002124000000000 ] - [ -0.0025135500000000, 0.0038263400000000, 0.0000000000000000 ] - [ -0.0003503200000000, 0.0000195300000000, 0.0000000000000000 ] - [ 0.0002679300000000, -0.0001048400000000, 0.0001227500000000 ] - [ -0.0000028900000000, 0.0000253200000000, 0.0000000000000000 ] - [ -0.0002813400000000, 0.0001926700000000, 0.0000000000000000 ] - [ 0.0002104500000000, -0.0001233800000000, 0.0000000000000000 ] - [ -0.0001242400000000, 0.0002838800000000, 0.0000000000000000 ] - [ -0.0000086600000000, -0.0002368600000000, 0.0000000000000000 ] - [ -0.0001324600000000, 0.0000602900000000, 0.0000148500000000 ] - [ -0.0001027600000000, -0.0000007800000000, 0.0002124000000000 ] - [ 0.0001690700000000, 0.0001364500000000, 0.0000000000000000 ] - [ -0.0025783400000000, -0.0025081700000000, 0.0000000000000000 ] - [ 0.0002053600000000, -0.0001369200000000, 0.0000000000000000 ] - [ 0.0000334600000000, -0.0000491000000000, 0.0000260300000000 ] - [ 0.0000334600000000, -0.0000491000000000, -0.0000260300000000 ] - [ 0.0002679300000000, -0.0001048400000000, -0.0001227500000000 ] - [ 0.0008768500000000, -0.0000206700000000, -0.0000970700000000 ] - [ -0.0008425300000000, -0.0002193400000000, 0.0000000000000000 ] - [ 0.0000779000000000, -0.0000859300000000, 0.0000000000000000 ] - [ -0.0002938200000000, -0.0000834500000000, 0.0000000000000000 ] - [ 0.0004543000000000, -0.0000496200000000, 0.0000000000000000 ] - [ -0.0001324600000000, 0.0000602900000000, -0.0000148500000000 ] - [ -0.0000316200000000, 0.0000814900000000, 0.0000000000000000 ] - [ 0.0001127800000000, -0.0000787000000000, 0.0000000000000000 ] - [ -0.0001391500000000, 0.0000311400000000, 0.0001490000000000 ] - [ 0.0000118800000000, -0.0000978500000000, -0.0001676000000000 ] - [ 0.0001138500000000, 0.0000777900000000, 0.0000000000000000 ] - [ -0.0000182100000000, -0.0001695100000000, 0.0000000000000000 ] - [ -0.0001581600000000, -0.0000659700000000, -0.0001382900000000 ] - [ -0.0005672700000000, 0.0003696100000000, 0.0000000000000000 ] - [ 0.0000109000000000, 0.0000192500000000, 0.0000000000000000 ] - [ -0.0002600900000000, 0.0001481500000000, 0.0000000000000000 ] - [ 0.0000173700000000, 0.0000411700000000, 0.0000000000000000 ] - [ -0.0001883200000000, -0.0002107200000000, 0.0000000000000000 ] - [ 0.0001226400000000, -0.0000430500000000, -0.0001552100000000 ] - [ 0.0000118800000000, -0.0000978500000000, 0.0001676000000000 ] - [ -0.0002317300000000, 0.0001079600000000, 0.0000000000000000 ] - [ -0.0002377300000000, -0.0001221300000000, 0.0000000000000000 ] - [ 0.0000478900000000, -0.0001078000000000, 0.0000000000000000 ] - [ -0.0002764400000000, 0.0000226200000000, 0.0001210600000000 ] - [ -0.0002764400000000, 0.0000226200000000, -0.0001210600000000 ] - [ -0.0001581600000000, -0.0000659700000000, 0.0001382900000000 ] - [ -0.0001391500000000, 0.0000311400000000, -0.0001490000000000 ] - [ 0.0000001100000000, -0.0000769600000000, 0.0000000000000000 ] - [ -0.0003653900000000, -0.0001170900000000, 0.0000000000000000 ] - [ 0.0000787600000000, -0.0001298300000000, 0.0000000000000000 ] - [ -0.0000318100000000, -0.0001398300000000, 0.0000000000000000 ] - [ 0.0001226400000000, -0.0000430500000000, 0.0001552100000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003870900000000, -0.0005298200000000, 0.0003204000000000 ] - [ 0.0000582100000000, -0.0000087800000000, 0.0000000000000000 ] - [ -0.0005727600000000, 0.0010341500000000, -0.0008203700000000 ] - [ 0.0001442900000000, -0.0004362000000000, 0.0002044100000000 ] - [ 0.0006669000000000, 0.0020918300000000, 0.0000000000000000 ] - [ -0.0000266400000000, 0.0001791600000000, 0.0000293600000000 ] - [ -0.0000266400000000, 0.0001791600000000, -0.0000293600000000 ] - [ -0.0003870900000000, -0.0005298200000000, -0.0003204000000000 ] - [ -0.0004872000000000, 0.0000162800000000, 0.0000000000000000 ] - [ -0.0005727600000000, 0.0010341500000000, 0.0008203700000000 ] - [ 0.0003066500000000, 0.0011427600000000, -0.0001482000000000 ] - [ 0.0001442900000000, -0.0004362000000000, -0.0002044100000000 ] - [ 0.0002556200000000, 0.0000926100000000, 0.0000000000000000 ] - [ 0.0003066500000000, 0.0011427600000000, 0.0001482000000000 ] - [ -0.0001393600000000, -0.0000170800000000, 0.0001082000000000 ] - [ 0.0006914000000000, -0.0005678800000000, 0.0000000000000000 ] - [ -0.0000554400000000, -0.0001663400000000, -0.0000143700000000 ] - [ 0.0001037100000000, 0.0001423100000000, 0.0000050400000000 ] - [ -0.0000472500000000, -0.0000142500000000, 0.0000000000000000 ] - [ 0.0000455800000000, -0.0003888400000000, -0.0000442500000000 ] - [ 0.0000455800000000, -0.0003888400000000, 0.0000442500000000 ] - [ -0.0001393600000000, -0.0000170800000000, -0.0001082000000000 ] - [ -0.0002017200000000, -0.0003063600000000, 0.0000000000000000 ] - [ -0.0000554400000000, -0.0001663400000000, 0.0000143700000000 ] - [ 0.0000207100000000, -0.0002140700000000, 0.0000334400000000 ] - [ 0.0001037100000000, 0.0001423100000000, -0.0000050400000000 ] - [ 0.0000678700000000, -0.0001506200000000, 0.0000000000000000 ] - [ 0.0000207100000000, -0.0002140700000000, -0.0000334400000000 ] - [ 0.0005713100000000, 0.0010472400000000, 0.0000000000000000 ] - [ 0.0013324200000000, 0.0010253200000000, 0.0000000000000000 ] - [ -0.0003407900000000, 0.0003475700000000, 0.0000000000000000 ] - [ -0.0000478200000000, 0.0003838800000000, 0.0000000000000000 ] - [ 0.0110584200000000, 0.0453711700000000, 0.0000000000000000 ] - [ -0.0000825800000000, -0.0005843200000000, 0.0000000000000000 ] - [ 0.0001027300000000, -0.0001080100000000, 0.0000000000000000 ] - [ 0.0002374100000000, -0.0003860700000000, 0.0000000000000000 ] - [ -0.0003001400000000, -0.0006440500000000, 0.0000000000000000 ] - [ 0.0000145200000000, -0.0008687700000000, 0.0000000000000000 ] - [ 0.0000101700000000, -0.0002611000000000, 0.0000000000000000 ] - [ -0.0002903000000000, 0.0008972400000000, 0.0000000000000000 ] - [ -0.0088390700000000, -0.0657244400000000, 0.0000000000000000 ] - [ 0.0000058400000000, -0.0001655200000000, 0.0000000000000000 ] - [ -0.0010131900000000, 0.0046005200000000, 0.0046989300000000 ] - [ 0.0001962800000000, -0.0000813400000000, -0.0000271100000000 ] - [ -0.0045405900000000, 0.0026712700000000, 0.0000000000000000 ] - [ -0.0001738300000000, -0.0007453500000000, 0.0000000000000000 ] - [ -0.0001460400000000, 0.0001401400000000, -0.0010280400000000 ] - [ 0.0000136300000000, 0.0002584300000000, 0.0000000000000000 ] - [ 0.0000386300000000, -0.0002263700000000, 0.0000000000000000 ] - [ -0.0003514100000000, 0.0007784200000000, 0.0000000000000000 ] - [ -0.0001697800000000, -0.0004270700000000, 0.0000000000000000 ] - [ 0.0000919800000000, 0.0003602900000000, 0.0000000000000000 ] - [ -0.0003124500000000, -0.0000896100000000, 0.0001730500000000 ] - [ 0.0001962800000000, -0.0000813400000000, 0.0000271100000000 ] - [ -0.0004485300000000, -0.0000497800000000, 0.0000000000000000 ] - [ 0.0029123300000000, 0.0024067800000000, 0.0000000000000000 ] - [ 0.0004478800000000, -0.0003235400000000, 0.0000000000000000 ] - [ 0.0000128400000000, 0.0002792700000000, 0.0000166500000000 ] - [ 0.0000128400000000, 0.0002792700000000, -0.0000166500000000 ] - [ -0.0001460400000000, 0.0001401400000000, 0.0010280400000000 ] - [ -0.0010131900000000, 0.0046005200000000, -0.0046989300000000 ] - [ 0.0011671700000000, -0.0003390200000000, 0.0000000000000000 ] - [ 0.0001826200000000, 0.0004754300000000, 0.0000000000000000 ] - [ 0.0000152200000000, -0.0000812300000000, 0.0000000000000000 ] - [ 0.0001064800000000, -0.0009585300000000, 0.0000000000000000 ] - [ -0.0003124500000000, -0.0000896100000000, -0.0001730500000000 ] - [ 0.0000741800000000, 0.0003047200000000, 0.0000000000000000 ] - [ -0.0001620500000000, 0.0004181900000000, 0.0000000000000000 ] - [ -0.0000439200000000, 0.0001416400000000, 0.0001716100000000 ] - [ 0.0002830400000000, 0.0003926500000000, -0.0000388000000000 ] - [ -0.0001182900000000, 0.0000412400000000, 0.0000000000000000 ] - [ 0.0000144100000000, 0.0003137200000000, 0.0000000000000000 ] - [ -0.0000061000000000, 0.0000244000000000, -0.0001345000000000 ] - [ -0.0004427500000000, -0.0005650000000000, 0.0000000000000000 ] - [ -0.0001364100000000, 0.0005646400000000, 0.0000000000000000 ] - [ 0.0000491200000000, -0.0001409100000000, 0.0000000000000000 ] - [ -0.0000000800000000, 0.0003379200000000, 0.0000000000000000 ] - [ 0.0001970700000000, -0.0002128700000000, 0.0000000000000000 ] - [ -0.0003142700000000, 0.0002983400000000, 0.0000989900000000 ] - [ 0.0002830400000000, 0.0003926500000000, 0.0000388000000000 ] - [ -0.0002304600000000, 0.0001084500000000, 0.0000000000000000 ] - [ -0.0000549400000000, 0.0000827000000000, 0.0000000000000000 ] - [ 0.0002313500000000, 0.0000765500000000, 0.0000000000000000 ] - [ 0.0000795500000000, -0.0001569900000000, -0.0000882100000000 ] - [ 0.0000795500000000, -0.0001569900000000, 0.0000882100000000 ] - [ -0.0000061000000000, 0.0000244000000000, 0.0001345000000000 ] - [ -0.0000439200000000, 0.0001416400000000, -0.0001716100000000 ] - [ 0.0001152800000000, 0.0001812100000000, 0.0000000000000000 ] - [ 0.0001717600000000, -0.0000888800000000, 0.0000000000000000 ] - [ 0.0001975400000000, 0.0006501400000000, 0.0000000000000000 ] - [ 0.0000157000000000, 0.0000553400000000, 0.0000000000000000 ] - [ -0.0003142700000000, 0.0002983400000000, -0.0000989900000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003872700000000, 0.0005596600000000, -0.0003191700000000 ] - [ -0.0000821800000000, 0.0000340100000000, 0.0000000000000000 ] - [ 0.0005409400000000, -0.0010246800000000, 0.0008192700000000 ] - [ -0.0001432600000000, 0.0004035000000000, -0.0002030900000000 ] - [ -0.0005980300000000, -0.0019213500000000, 0.0000000000000000 ] - [ 0.0000588600000000, -0.0001781400000000, -0.0000291600000000 ] - [ 0.0000588600000000, -0.0001781400000000, 0.0000291600000000 ] - [ 0.0003872700000000, 0.0005596600000000, 0.0003191700000000 ] - [ 0.0004619700000000, -0.0000413200000000, 0.0000000000000000 ] - [ 0.0005409400000000, -0.0010246800000000, -0.0008192700000000 ] - [ -0.0003111600000000, -0.0011375800000000, 0.0001537700000000 ] - [ -0.0001432600000000, 0.0004035000000000, 0.0002030900000000 ] - [ -0.0002310100000000, -0.0001186800000000, 0.0000000000000000 ] - [ -0.0003111600000000, -0.0011375800000000, -0.0001537700000000 ] - [ 0.0001386400000000, 0.0000513000000000, -0.0001080300000000 ] - [ -0.0007137100000000, 0.0005884200000000, 0.0000000000000000 ] - [ 0.0000232000000000, 0.0001658900000000, 0.0000144300000000 ] - [ -0.0001029200000000, -0.0001753200000000, -0.0000045300000000 ] - [ 0.0000711100000000, 0.0000375700000000, 0.0000000000000000 ] - [ -0.0000128200000000, 0.0003874700000000, 0.0000438200000000 ] - [ -0.0000128200000000, 0.0003874700000000, -0.0000438200000000 ] - [ 0.0001386400000000, 0.0000513000000000, 0.0001080300000000 ] - [ 0.0001766100000000, 0.0002826600000000, 0.0000000000000000 ] - [ 0.0000232000000000, 0.0001658900000000, -0.0000144300000000 ] - [ -0.0000212300000000, 0.0002133800000000, -0.0000332800000000 ] - [ -0.0001029200000000, -0.0001753200000000, 0.0000045300000000 ] - [ -0.0000432100000000, 0.0001268300000000, 0.0000000000000000 ] - [ -0.0000212300000000, 0.0002133800000000, 0.0000332800000000 ] - [ -0.0004464100000000, -0.0009164200000000, 0.0000000000000000 ] - [ -0.0014463900000000, -0.0008935200000000, 0.0000000000000000 ] - [ 0.0002188400000000, -0.0004684900000000, 0.0000000000000000 ] - [ 0.0000490900000000, -0.0003822800000000, 0.0000000000000000 ] - [ -0.0115484500000000, -0.0477767900000000, 0.0000000000000000 ] - [ 0.0000835100000000, 0.0005828700000000, 0.0000000000000000 ] - [ 0.0000179200000000, 0.0002277400000000, 0.0000000000000000 ] - [ -0.0003581400000000, 0.0005053900000000, 0.0000000000000000 ] - [ 0.0001754300000000, 0.0005198200000000, 0.0000000000000000 ] - [ -0.0000126100000000, 0.0008643000000000, 0.0000000000000000 ] - [ 0.0001100300000000, 0.0001401000000000, 0.0000000000000000 ] - [ 0.0002907600000000, -0.0008911900000000, 0.0000000000000000 ] - [ 0.0095493700000000, 0.0681449400000000, 0.0000000000000000 ] - [ -0.0000588400000000, 0.0001808600000000, 0.0000000000000000 ] - [ 0.0009450900000000, -0.0045736700000000, -0.0044988300000000 ] - [ -0.0001153100000000, 0.0001622400000000, -0.0002339400000000 ] - [ 0.0047054200000000, -0.0025688900000000, 0.0000000000000000 ] - [ 0.0001058800000000, 0.0004998200000000, 0.0000000000000000 ] - [ 0.0000651100000000, -0.0002196900000000, 0.0007582600000000 ] - [ 0.0000014600000000, -0.0002054700000000, 0.0000000000000000 ] - [ -0.0001059200000000, 0.0004672400000000, 0.0000000000000000 ] - [ 0.0003319300000000, -0.0007206200000000, 0.0000000000000000 ] - [ 0.0002208300000000, 0.0004431600000000, 0.0000000000000000 ] - [ -0.0000765300000000, -0.0004108700000000, 0.0000000000000000 ] - [ 0.0003895600000000, 0.0000087300000000, -0.0004302700000000 ] - [ -0.0001153100000000, 0.0001622400000000, 0.0002339400000000 ] - [ 0.0002046900000000, 0.0001168000000000, 0.0000000000000000 ] - [ -0.0031781000000000, -0.0024968000000000, 0.0000000000000000 ] - [ -0.0002057100000000, 0.0002557700000000, 0.0000000000000000 ] - [ -0.0000131100000000, -0.0002778900000000, -0.0000159500000000 ] - [ -0.0000131100000000, -0.0002778900000000, 0.0000159500000000 ] - [ 0.0000651100000000, -0.0002196900000000, -0.0007582600000000 ] - [ 0.0009450900000000, -0.0045736700000000, 0.0044988300000000 ] - [ -0.0011092100000000, 0.0003185300000000, 0.0000000000000000 ] - [ -0.0001982000000000, -0.0005262800000000, 0.0000000000000000 ] - [ -0.0000678600000000, 0.0000649400000000, 0.0000000000000000 ] - [ -0.0000369800000000, 0.0007122800000000, 0.0000000000000000 ] - [ 0.0003895600000000, 0.0000087300000000, 0.0004302700000000 ] - [ -0.0000048100000000, -0.0000617600000000, 0.0000000000000000 ] - [ 0.0001088700000000, -0.0004011400000000, 0.0000000000000000 ] - [ -0.0000360200000000, -0.0000612600000000, 0.0000896400000000 ] - [ -0.0001998300000000, -0.0003100900000000, -0.0002198900000000 ] - [ 0.0003600400000000, 0.0000286200000000, 0.0000000000000000 ] - [ -0.0000832100000000, -0.0005542300000000, 0.0000000000000000 ] - [ -0.0000736700000000, -0.0001034600000000, -0.0001264000000000 ] - [ 0.0004536500000000, 0.0006172300000000, 0.0000000000000000 ] - [ 0.0000674800000000, -0.0003203200000000, 0.0000000000000000 ] - [ -0.0000647700000000, 0.0001936200000000, 0.0000000000000000 ] - [ 0.0000515100000000, -0.0003213700000000, 0.0000000000000000 ] - [ -0.0001819600000000, 0.0001580500000000, 0.0000000000000000 ] - [ 0.0003943400000000, -0.0003771400000000, -0.0003595100000000 ] - [ -0.0001998300000000, -0.0003100900000000, 0.0002198900000000 ] - [ -0.0000112400000000, -0.0000383800000000, 0.0000000000000000 ] - [ -0.0001863500000000, -0.0001514900000000, 0.0000000000000000 ] - [ 0.0000125100000000, -0.0001456300000000, 0.0000000000000000 ] - [ -0.0000807000000000, 0.0001563400000000, 0.0000875500000000 ] - [ -0.0000807000000000, 0.0001563400000000, -0.0000875500000000 ] - [ -0.0000736700000000, -0.0001034600000000, 0.0001264000000000 ] - [ -0.0000360200000000, -0.0000612600000000, -0.0000896400000000 ] - [ -0.0000628800000000, -0.0001954300000000, 0.0000000000000000 ] - [ -0.0001864900000000, 0.0000356700000000, 0.0000000000000000 ] - [ -0.0002490500000000, -0.0006617100000000, 0.0000000000000000 ] - [ 0.0000533900000000, -0.0002960000000000, 0.0000000000000000 ] - [ 0.0003943400000000, -0.0003771400000000, 0.0003595100000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001703500000000, 0.0001411300000000, -0.0000135700000000 ] - [ -0.0000124700000000, 0.0000122700000000, -0.0000160600000000 ] - [ 0.0006477200000000, -0.0002814800000000, 0.0012713600000000 ] - [ -0.0000601400000000, 0.0000458100000000, 0.0000136900000000 ] - [ 0.0000108300000000, 0.0000077800000000, 0.0002182800000000 ] - [ 0.0000120200000000, 0.0000023300000000, -0.0000005400000000 ] - [ 0.0000175600000000, -0.0000021900000000, -0.0000002200000000 ] - [ -0.0001712900000000, -0.0001134600000000, -0.0000156600000000 ] - [ -0.0000136800000000, -0.0000125600000000, 0.0000190700000000 ] - [ -0.0006219400000000, 0.0002771600000000, 0.0012168000000000 ] - [ 0.0004020400000000, -0.0000852000000000, 0.0000250800000000 ] - [ 0.0000603000000000, -0.0000761900000000, 0.0000142200000000 ] - [ 0.0000128000000000, -0.0000119300000000, -0.0006677400000000 ] - [ -0.0004252100000000, 0.0000846600000000, 0.0000009000000000 ] - [ 0.0000266700000000, 0.0000463900000000, -0.0000002600000000 ] - [ -0.0000116100000000, 0.0000115100000000, 0.0003884500000000 ] - [ -0.0000179600000000, -0.0000018500000000, 0.0000004700000000 ] - [ -0.0000448500000000, 0.0000099200000000, 0.0000024300000000 ] - [ 0.0000125300000000, 0.0000126800000000, -0.0000142900000000 ] - [ 0.0000226700000000, 0.0000257800000000, 0.0000016400000000 ] - [ 0.0000069500000000, -0.0000266900000000, 0.0000015100000000 ] - [ -0.0000271400000000, -0.0000172600000000, 0.0000007200000000 ] - [ -0.0000126900000000, -0.0000131500000000, -0.0001327600000000 ] - [ -0.0000119000000000, 0.0000014400000000, 0.0000006000000000 ] - [ 0.0000115900000000, -0.0000075400000000, 0.0000016200000000 ] - [ 0.0000452900000000, -0.0000385500000000, 0.0000017300000000 ] - [ 0.0000122600000000, -0.0000127500000000, 0.0000112000000000 ] - [ -0.0000114800000000, 0.0000071600000000, 0.0000016200000000 ] - [ 0.0000603700000000, 0.0000590500000000, -0.0008914600000000 ] - [ -0.0000603600000000, 0.0000604800000000, 0.0001110700000000 ] - [ -0.0000602200000000, -0.0000589700000000, -0.0001516300000000 ] - [ -0.0000009200000000, 0.0000003500000000, -0.0001838400000000 ] - [ 0.0000791900000000, 0.0000218500000000, 0.0004349500000000 ] - [ -0.0000001800000000, -0.0000006000000000, -0.0000097100000000 ] - [ 0.0000603000000000, 0.0000601800000000, 0.0000112800000000 ] - [ -0.0000598400000000, 0.0000600300000000, -0.0002356200000000 ] - [ -0.0000605200000000, -0.0000608600000000, 0.0000673600000000 ] - [ -0.0000000100000000, -0.0000009200000000, 0.0000103700000000 ] - [ 0.0000602300000000, -0.0000606000000000, -0.0000071900000000 ] - [ 0.0000005200000000, 0.0000008800000000, 0.0001663700000000 ] - [ -0.0000235800000000, 0.0000507300000000, -0.0063398500000000 ] - [ -0.0000263900000000, 0.0000073200000000, -0.0000308000000000 ] - [ -0.0005849200000000, 0.0027781000000000, 0.0017833100000000 ] - [ 0.0000688500000000, 0.0000632900000000, -0.0000912200000000 ] - [ 0.0001255000000000, 0.0000277900000000, -0.0007339100000000 ] - [ -0.0000343900000000, -0.0001213700000000, -0.0001742600000000 ] - [ -0.0000091900000000, -0.0004708400000000, 0.0004725800000000 ] - [ 0.0000076900000000, 0.0000264800000000, 0.0000103900000000 ] - [ -0.0000348700000000, 0.0001199200000000, 0.0002660100000000 ] - [ -0.0000080200000000, 0.0000269000000000, -0.0000236200000000 ] - [ 0.0000264900000000, 0.0000066800000000, 0.0003897400000000 ] - [ 0.0000078700000000, -0.0000256400000000, -0.0000265500000000 ] - [ 0.0000326700000000, -0.0000155700000000, -0.0001837700000000 ] - [ 0.0000115400000000, 0.0000160600000000, 0.0001697300000000 ] - [ -0.0001209000000000, 0.0000348100000000, 0.0002626300000000 ] - [ -0.0001140400000000, -0.0000279200000000, -0.0007466100000000 ] - [ 0.0001211300000000, -0.0000353900000000, 0.0002625900000000 ] - [ 0.0000006200000000, -0.0000082200000000, 0.0000005300000000 ] - [ -0.0000005700000000, 0.0000088800000000, 0.0000009300000000 ] - [ -0.0000698500000000, 0.0003955900000000, 0.0007366300000000 ] - [ 0.0005035000000000, -0.0027004400000000, 0.0015082000000000 ] - [ 0.0000255300000000, -0.0000082800000000, -0.0002919600000000 ] - [ -0.0000075400000000, -0.0000256600000000, 0.0000756100000000 ] - [ -0.0000261400000000, -0.0000078000000000, 0.0000273500000000 ] - [ 0.0000343900000000, -0.0001207000000000, 0.0007675100000000 ] - [ 0.0000473500000000, -0.0000644600000000, 0.0000787800000000 ] - [ 0.0000342600000000, 0.0001208000000000, 0.0000033000000000 ] - [ -0.0000265400000000, 0.0000084100000000, 0.0000372200000000 ] - [ -0.0000407800000000, 0.0000425500000000, 0.0001352800000000 ] - [ 0.0000537600000000, 0.0000599300000000, -0.0001690800000000 ] - [ 0.0001200500000000, 0.0000341100000000, 0.0000434800000000 ] - [ -0.0000344100000000, -0.0001203300000000, 0.0000429200000000 ] - [ -0.0000417000000000, -0.0000443500000000, -0.0001359100000000 ] - [ 0.0000057300000000, 0.0000257700000000, -0.0003123700000000 ] - [ -0.0000343300000000, 0.0001209500000000, -0.0000217600000000 ] - [ -0.0000075600000000, 0.0000259300000000, 0.0000309000000000 ] - [ 0.0000263000000000, 0.0000079500000000, -0.0000108600000000 ] - [ 0.0000081500000000, -0.0000257300000000, 0.0003324600000000 ] - [ -0.0000611100000000, 0.0000486400000000, 0.0000000600000000 ] - [ 0.0000267600000000, 0.0000210000000000, 0.0000927000000000 ] - [ -0.0001207000000000, 0.0000343400000000, -0.0000132600000000 ] - [ -0.0001206400000000, -0.0000342000000000, 0.0000068100000000 ] - [ 0.0001208200000000, -0.0000342900000000, -0.0000133500000000 ] - [ -0.0002051900000000, -0.0000027600000000, -0.0000179300000000 ] - [ 0.0002068400000000, 0.0000023800000000, -0.0000191100000000 ] - [ -0.0000384100000000, -0.0000358300000000, 0.0001258700000000 ] - [ -0.0000394300000000, 0.0000379500000000, -0.0001267500000000 ] - [ 0.0000266400000000, -0.0000078500000000, 0.0000287000000000 ] - [ -0.0000076100000000, -0.0000261100000000, -0.0000289700000000 ] - [ -0.0000260500000000, -0.0000069600000000, -0.0000914000000000 ] - [ 0.0000343400000000, -0.0001205500000000, -0.0000025300000000 ] - [ 0.0001402700000000, -0.0001281400000000, 0.0002613700000000 ]- atom: 42 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002932800000000, 0.0001070500000000, -0.0000471000000000 ] - [ 0.0001331200000000, -0.0001130400000000, 0.0000000000000000 ] - [ -0.0005572400000000, 0.0002555100000000, 0.0002664000000000 ] - [ -0.0001085600000000, -0.0000299800000000, 0.0000425000000000 ] - [ -0.0002206500000000, 0.0001073800000000, 0.0000000000000000 ] - [ 0.0011638300000000, -0.0001302600000000, 0.0000863300000000 ] - [ 0.0011638300000000, -0.0001302600000000, -0.0000863300000000 ] - [ -0.0002932800000000, 0.0001070500000000, 0.0000471000000000 ] - [ 0.0018673300000000, -0.0008107300000000, 0.0000000000000000 ] - [ -0.0005572400000000, 0.0002555100000000, -0.0002664000000000 ] - [ -0.0003952100000000, -0.0000784400000000, -0.0000977800000000 ] - [ -0.0001085600000000, -0.0000299800000000, -0.0000425000000000 ] - [ -0.0003110100000000, -0.0000954600000000, 0.0000000000000000 ] - [ -0.0003952100000000, -0.0000784400000000, 0.0000977800000000 ] - [ 0.0001196600000000, 0.0003890900000000, -0.0000218500000000 ] - [ -0.0003521900000000, -0.0005783000000000, 0.0000000000000000 ] - [ -0.0000070200000000, 0.0001510100000000, 0.0000628300000000 ] - [ 0.0015617800000000, 0.0000368800000000, -0.0007142700000000 ] - [ 0.0003081700000000, 0.0001029800000000, 0.0000000000000000 ] - [ -0.0001430200000000, -0.0000185200000000, -0.0000036300000000 ] - [ -0.0001430200000000, -0.0000185200000000, 0.0000036300000000 ] - [ 0.0001196600000000, 0.0003890900000000, 0.0000218500000000 ] - [ -0.0001463700000000, 0.0001347900000000, 0.0000000000000000 ] - [ -0.0000070200000000, 0.0001510100000000, -0.0000628300000000 ] - [ 0.0001686200000000, 0.0000201300000000, 0.0000183600000000 ] - [ 0.0015617800000000, 0.0000368800000000, 0.0007142700000000 ] - [ 0.0002631800000000, 0.0000945700000000, 0.0000000000000000 ] - [ 0.0001686200000000, 0.0000201300000000, -0.0000183600000000 ] - [ -0.0002724800000000, 0.0001262900000000, 0.0000000000000000 ] - [ -0.0002287000000000, -0.0010021800000000, 0.0000000000000000 ] - [ -0.0005769500000000, -0.0003633100000000, 0.0000000000000000 ] - [ 0.0007867500000000, -0.0002050500000000, 0.0000000000000000 ] - [ -0.0009064400000000, -0.0001676000000000, 0.0000000000000000 ] - [ -0.0002243300000000, 0.0000886100000000, 0.0000000000000000 ] - [ 0.0009582100000000, 0.0007052900000000, 0.0000000000000000 ] - [ 0.0000133800000000, -0.0001317600000000, 0.0000000000000000 ] - [ -0.0000503400000000, -0.0000184500000000, 0.0000000000000000 ] - [ -0.0004415600000000, 0.0002334800000000, 0.0000000000000000 ] - [ 0.0002713100000000, 0.0000902800000000, 0.0000000000000000 ] - [ 0.0092890600000000, -0.0070704800000000, 0.0000000000000000 ] - [ 0.0004250400000000, 0.0001545800000000, 0.0000000000000000 ] - [ -0.0220593500000000, 0.0096675500000000, 0.0000000000000000 ] - [ 0.0003795600000000, 0.0000922900000000, 0.0001089200000000 ] - [ 0.0002798400000000, 0.0000595000000000, -0.0006244200000000 ] - [ 0.0005073900000000, 0.0002459300000000, 0.0000000000000000 ] - [ 0.0008433400000000, 0.0010229500000000, 0.0000000000000000 ] - [ 0.0001422500000000, -0.0000911300000000, -0.0001010900000000 ] - [ 0.0000255800000000, -0.0000170000000000, 0.0000000000000000 ] - [ 0.0001162000000000, 0.0003172100000000, 0.0000000000000000 ] - [ 0.0001154500000000, -0.0000058900000000, 0.0000000000000000 ] - [ 0.0003046100000000, 0.0003011300000000, 0.0000000000000000 ] - [ 0.0004831100000000, -0.0006563000000000, 0.0000000000000000 ] - [ -0.0000040300000000, 0.0002455000000000, -0.0000199200000000 ] - [ 0.0002798400000000, 0.0000595000000000, 0.0006244200000000 ] - [ 0.0001112200000000, 0.0000335100000000, 0.0000000000000000 ] - [ 0.0006302100000000, 0.0001163800000000, 0.0000000000000000 ] - [ 0.0006225400000000, -0.0000946700000000, 0.0000000000000000 ] - [ 0.0000937800000000, -0.0000446800000000, 0.0000676300000000 ] - [ 0.0000937800000000, -0.0000446800000000, -0.0000676300000000 ] - [ 0.0001422500000000, -0.0000911300000000, 0.0001010900000000 ] - [ 0.0003795600000000, 0.0000922900000000, -0.0001089200000000 ] - [ -0.0002917300000000, -0.0000277600000000, 0.0000000000000000 ] - [ 0.0001815600000000, 0.0000166700000000, 0.0000000000000000 ] - [ -0.0009927700000000, -0.0002966800000000, 0.0000000000000000 ] - [ 0.0003030000000000, -0.0001622600000000, 0.0000000000000000 ] - [ -0.0000040300000000, 0.0002455000000000, 0.0000199200000000 ] - [ -0.0001046600000000, -0.0000146800000000, 0.0000000000000000 ] - [ 0.0001258400000000, -0.0000554400000000, 0.0000000000000000 ] - [ -0.0001702700000000, -0.0000128300000000, 0.0001415000000000 ] - [ 0.0000833800000000, -0.0000168700000000, -0.0001165700000000 ] - [ -0.0000644700000000, 0.0002198600000000, 0.0000000000000000 ] - [ -0.0000073800000000, -0.0000322200000000, 0.0000000000000000 ] - [ -0.0003819800000000, -0.0005819800000000, 0.0000742500000000 ] - [ 0.0065944000000000, 0.0017090200000000, 0.0000000000000000 ] - [ -0.0000242000000000, 0.0001465500000000, 0.0000000000000000 ] - [ -0.0009269200000000, 0.0004054500000000, 0.0000000000000000 ] - [ 0.0000146800000000, -0.0001070000000000, 0.0000000000000000 ] - [ 0.0004219800000000, -0.0006310800000000, 0.0000000000000000 ] - [ 0.0001030200000000, 0.0001060700000000, -0.0000433700000000 ] - [ 0.0000833800000000, -0.0000168700000000, 0.0001165700000000 ] - [ -0.0007119000000000, 0.0003813400000000, 0.0000000000000000 ] - [ -0.0002885300000000, -0.0001569300000000, 0.0000000000000000 ] - [ 0.0000595200000000, -0.0001260500000000, 0.0000000000000000 ] - [ 0.0004556000000000, -0.0011318500000000, 0.0038847600000000 ] - [ 0.0004556000000000, -0.0011318500000000, -0.0038847600000000 ] - [ -0.0003819800000000, -0.0005819800000000, -0.0000742500000000 ] - [ -0.0001702700000000, -0.0000128300000000, -0.0001415000000000 ] - [ 0.0001487100000000, -0.0001524100000000, 0.0000000000000000 ] - [ -0.0019232400000000, -0.0017303100000000, 0.0000000000000000 ] - [ 0.0002904000000000, 0.0000922900000000, 0.0000000000000000 ] - [ -0.0000705700000000, -0.0003439900000000, 0.0000000000000000 ] - [ 0.0001030200000000, 0.0001060700000000, 0.0000433700000000 ]- atom: 42 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002924600000000, -0.0000753200000000, 0.0000460000000000 ] - [ -0.0001567100000000, 0.0001373800000000, 0.0000000000000000 ] - [ 0.0005243100000000, -0.0002573900000000, -0.0002680500000000 ] - [ 0.0001084700000000, -0.0000005400000000, -0.0000423600000000 ] - [ 0.0002432300000000, -0.0000826000000000, 0.0000000000000000 ] - [ -0.0011202900000000, 0.0001413100000000, -0.0001030100000000 ] - [ -0.0011202900000000, 0.0001413100000000, 0.0001030100000000 ] - [ 0.0002924600000000, -0.0000753200000000, -0.0000460000000000 ] - [ -0.0017742600000000, 0.0007139300000000, 0.0000000000000000 ] - [ 0.0005243100000000, -0.0002573900000000, 0.0002680500000000 ] - [ 0.0003943000000000, 0.0000776300000000, 0.0000965600000000 ] - [ 0.0001084700000000, -0.0000005400000000, 0.0000423600000000 ] - [ 0.0003341600000000, 0.0000709400000000, 0.0000000000000000 ] - [ 0.0003943000000000, 0.0000776300000000, -0.0000965600000000 ] - [ -0.0001200100000000, -0.0003567600000000, 0.0000196600000000 ] - [ 0.0003258500000000, 0.0006065000000000, 0.0000000000000000 ] - [ -0.0000220300000000, -0.0001504600000000, -0.0000623600000000 ] - [ -0.0015804300000000, -0.0000861300000000, 0.0007485700000000 ] - [ -0.0002807400000000, -0.0000777700000000, 0.0000000000000000 ] - [ 0.0001725200000000, 0.0000188500000000, 0.0000035800000000 ] - [ 0.0001725200000000, 0.0000188500000000, -0.0000035800000000 ] - [ -0.0001200100000000, -0.0003567600000000, -0.0000196600000000 ] - [ 0.0001206200000000, -0.0001592600000000, 0.0000000000000000 ] - [ -0.0000220300000000, -0.0001504600000000, 0.0000623600000000 ] - [ -0.0001684500000000, -0.0000202700000000, -0.0000189900000000 ] - [ -0.0015804300000000, -0.0000861300000000, -0.0007485700000000 ] - [ -0.0002356000000000, -0.0001176700000000, 0.0000000000000000 ] - [ -0.0001684500000000, -0.0000202700000000, 0.0000189900000000 ] - [ 0.0003925200000000, -0.0000058800000000, 0.0000000000000000 ] - [ 0.0001093300000000, 0.0011152700000000, 0.0000000000000000 ] - [ 0.0004548400000000, 0.0002396400000000, 0.0000000000000000 ] - [ -0.0007863400000000, 0.0002068500000000, 0.0000000000000000 ] - [ 0.0010256100000000, 0.0000458400000000, 0.0000000000000000 ] - [ 0.0002241700000000, -0.0000877400000000, 0.0000000000000000 ] - [ -0.0008318300000000, -0.0005890800000000, 0.0000000000000000 ] - [ -0.0001351300000000, 0.0002528600000000, 0.0000000000000000 ] - [ -0.0000717000000000, -0.0001017100000000, 0.0000000000000000 ] - [ 0.0004394100000000, -0.0002302400000000, 0.0000000000000000 ] - [ -0.0001496900000000, -0.0002106800000000, 0.0000000000000000 ] - [ -0.0096374600000000, 0.0075361200000000, 0.0000000000000000 ] - [ -0.0003548900000000, 0.0000897400000000, 0.0000000000000000 ] - [ 0.0223306700000000, -0.0100075200000000, 0.0000000000000000 ] - [ -0.0004590600000000, -0.0000123100000000, 0.0001518800000000 ] - [ -0.0002002100000000, 0.0000215500000000, 0.0003599600000000 ] - [ -0.0002642600000000, -0.0001752400000000, 0.0000000000000000 ] - [ -0.0009028900000000, -0.0012536000000000, 0.0000000000000000 ] - [ -0.0002214800000000, 0.0000113900000000, -0.0001608300000000 ] - [ -0.0000101900000000, 0.0000694200000000, 0.0000000000000000 ] - [ -0.0001859400000000, -0.0000738400000000, 0.0000000000000000 ] - [ -0.0001302400000000, 0.0000583100000000, 0.0000000000000000 ] - [ -0.0002498700000000, -0.0002855600000000, 0.0000000000000000 ] - [ -0.0004639100000000, 0.0005973100000000, 0.0000000000000000 ] - [ 0.0000826900000000, -0.0003240900000000, -0.0002407600000000 ] - [ -0.0002002100000000, 0.0000215500000000, -0.0003599600000000 ] - [ -0.0003519900000000, 0.0000353400000000, 0.0000000000000000 ] - [ -0.0008681100000000, -0.0001838900000000, 0.0000000000000000 ] - [ -0.0003794600000000, 0.0000259600000000, 0.0000000000000000 ] - [ -0.0000933700000000, 0.0000443300000000, -0.0000668200000000 ] - [ -0.0000933700000000, 0.0000443300000000, 0.0000668200000000 ] - [ -0.0002214800000000, 0.0000113900000000, 0.0001608300000000 ] - [ -0.0004590600000000, -0.0000123100000000, -0.0001518800000000 ] - [ 0.0003556600000000, 0.0000053800000000, 0.0000000000000000 ] - [ -0.0001966600000000, -0.0000695900000000, 0.0000000000000000 ] - [ 0.0009391100000000, 0.0002813700000000, 0.0000000000000000 ] - [ -0.0002332700000000, -0.0000787700000000, 0.0000000000000000 ] - [ 0.0000826900000000, -0.0003240900000000, 0.0002407600000000 ] - [ 0.0001729700000000, 0.0002561800000000, 0.0000000000000000 ] - [ -0.0001776500000000, 0.0000710200000000, 0.0000000000000000 ] - [ 0.0000895600000000, 0.0000927800000000, 0.0001202600000000 ] - [ -0.0000024300000000, 0.0000967000000000, -0.0001457800000000 ] - [ 0.0003060900000000, -0.0001508600000000, 0.0000000000000000 ] - [ -0.0000611900000000, -0.0002100600000000, 0.0000000000000000 ] - [ 0.0002978700000000, 0.0005029200000000, -0.0003368400000000 ] - [ -0.0066893900000000, -0.0016792000000000, 0.0000000000000000 ] - [ -0.0000429400000000, 0.0000945800000000, 0.0000000000000000 ] - [ 0.0009101100000000, -0.0003530900000000, 0.0000000000000000 ] - [ 0.0000368800000000, 0.0001210900000000, 0.0000000000000000 ] - [ -0.0004058000000000, 0.0005786600000000, 0.0000000000000000 ] - [ -0.0000214600000000, -0.0001858800000000, -0.0002187100000000 ] - [ -0.0000024300000000, 0.0000967000000000, 0.0001457800000000 ] - [ 0.0004711600000000, -0.0003084100000000, 0.0000000000000000 ] - [ 0.0000465900000000, 0.0000876400000000, 0.0000000000000000 ] - [ 0.0001833600000000, 0.0000562800000000, 0.0000000000000000 ] - [ -0.0004536900000000, 0.0011368200000000, -0.0039041200000000 ] - [ -0.0004536900000000, 0.0011368200000000, 0.0039041200000000 ] - [ 0.0002978700000000, 0.0005029200000000, 0.0003368400000000 ] - [ 0.0000895600000000, 0.0000927800000000, -0.0001202600000000 ] - [ -0.0000960800000000, 0.0001359200000000, 0.0000000000000000 ] - [ 0.0019064700000000, 0.0016582300000000, 0.0000000000000000 ] - [ -0.0003417800000000, -0.0001083800000000, 0.0000000000000000 ] - [ 0.0001386100000000, 0.0001026200000000, 0.0000000000000000 ] - [ -0.0000214600000000, -0.0001858800000000, 0.0002187100000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001490900000000, 0.0000168000000000, 0.0000500100000000 ] - [ -0.0001719000000000, -0.0001404200000000, 0.0000000000000000 ] - [ 0.0003269700000000, 0.0001169900000000, 0.0000097600000000 ] - [ -0.0000141100000000, -0.0001577900000000, 0.0000050600000000 ] - [ 0.0001140500000000, -0.0000864000000000, 0.0000000000000000 ] - [ 0.0002158000000000, 0.0016787000000000, -0.0008730400000000 ] - [ 0.0002158000000000, 0.0016787000000000, 0.0008730400000000 ] - [ 0.0001490900000000, 0.0000168000000000, -0.0000500100000000 ] - [ -0.0004281900000000, 0.0009100900000000, 0.0000000000000000 ] - [ 0.0003269700000000, 0.0001169900000000, -0.0000097600000000 ] - [ 0.0000066100000000, 0.0001505400000000, -0.0000031600000000 ] - [ -0.0000141100000000, -0.0001577900000000, -0.0000050600000000 ] - [ 0.0000593100000000, 0.0001488800000000, 0.0000000000000000 ] - [ 0.0000066100000000, 0.0001505400000000, 0.0000031600000000 ] - [ 0.0002431600000000, -0.0004740000000000, 0.0002631900000000 ] - [ -0.0001877600000000, 0.0002277700000000, 0.0000000000000000 ] - [ 0.0001064900000000, -0.0002909700000000, -0.0000820400000000 ] - [ -0.0002646400000000, 0.0009758200000000, 0.0001979000000000 ] - [ 0.0000875800000000, 0.0001122700000000, 0.0000000000000000 ] - [ 0.0000185000000000, -0.0000926600000000, -0.0000030700000000 ] - [ 0.0000185000000000, -0.0000926600000000, 0.0000030700000000 ] - [ 0.0002431600000000, -0.0004740000000000, -0.0002631900000000 ] - [ 0.0000915100000000, -0.0002317000000000, 0.0000000000000000 ] - [ 0.0001064900000000, -0.0002909700000000, 0.0000820400000000 ] - [ -0.0001127400000000, -0.0003754000000000, -0.0000935800000000 ] - [ -0.0002646400000000, 0.0009758200000000, -0.0001979000000000 ] - [ -0.0003084100000000, -0.0006895800000000, 0.0000000000000000 ] - [ -0.0001127400000000, -0.0003754000000000, 0.0000935800000000 ] - [ 0.0001310400000000, 0.0000875400000000, 0.0000000000000000 ] - [ -0.0003451000000000, 0.0002271800000000, 0.0000000000000000 ] - [ 0.0001458400000000, 0.0005700500000000, 0.0000000000000000 ] - [ -0.0002249300000000, 0.0007383400000000, 0.0000000000000000 ] - [ 0.0003635600000000, 0.0001373100000000, 0.0000000000000000 ] - [ 0.0000885400000000, -0.0002123400000000, 0.0000000000000000 ] - [ 0.0000959500000000, -0.0016215900000000, 0.0000000000000000 ] - [ -0.0003299900000000, -0.0001101100000000, 0.0000000000000000 ] - [ 0.0001278500000000, -0.0004178300000000, 0.0000000000000000 ] - [ 0.0002255400000000, -0.0003737600000000, 0.0000000000000000 ] - [ 0.0000109300000000, -0.0005570700000000, 0.0000000000000000 ] - [ -0.0079152800000000, 0.0099419400000000, 0.0000000000000000 ] - [ -0.0001041000000000, -0.0000517900000000, 0.0000000000000000 ] - [ 0.0100035900000000, -0.0207334000000000, 0.0000000000000000 ] - [ -0.0001373600000000, -0.0000652800000000, 0.0001415900000000 ] - [ -0.0001258600000000, -0.0002766200000000, 0.0002281500000000 ] - [ 0.0002040200000000, 0.0000504800000000, 0.0000000000000000 ] - [ 0.0001762400000000, -0.0004527000000000, 0.0000000000000000 ] - [ -0.0001065100000000, -0.0000095300000000, -0.0001387700000000 ] - [ 0.0000461200000000, 0.0002145800000000, 0.0000000000000000 ] - [ 0.0002422700000000, -0.0003140600000000, 0.0000000000000000 ] - [ -0.0000468100000000, 0.0001482600000000, 0.0000000000000000 ] - [ -0.0002679600000000, -0.0008067500000000, 0.0000000000000000 ] - [ -0.0003986700000000, 0.0004467200000000, 0.0000000000000000 ] - [ 0.0002456500000000, -0.0000077100000000, -0.0001342400000000 ] - [ -0.0001258600000000, -0.0002766200000000, -0.0002281500000000 ] - [ -0.0001259500000000, 0.0000446800000000, 0.0000000000000000 ] - [ -0.0004610200000000, -0.0002522200000000, 0.0000000000000000 ] - [ -0.0000702400000000, -0.0001194300000000, 0.0000000000000000 ] - [ -0.0000515200000000, 0.0000835500000000, -0.0000477600000000 ] - [ -0.0000515200000000, 0.0000835500000000, 0.0000477600000000 ] - [ -0.0001065100000000, -0.0000095300000000, 0.0001387700000000 ] - [ -0.0001373600000000, -0.0000652800000000, -0.0001415900000000 ] - [ 0.0000125100000000, -0.0003632400000000, 0.0000000000000000 ] - [ -0.0000460700000000, -0.0000083900000000, 0.0000000000000000 ] - [ 0.0002632900000000, 0.0001953900000000, 0.0000000000000000 ] - [ -0.0000409500000000, -0.0001943600000000, 0.0000000000000000 ] - [ 0.0002456500000000, -0.0000077100000000, 0.0001342400000000 ] - [ 0.0001213500000000, 0.0005300500000000, 0.0000000000000000 ] - [ -0.0000889200000000, 0.0001299000000000, 0.0000000000000000 ] - [ -0.0000068000000000, 0.0003009200000000, 0.0002498100000000 ] - [ -0.0000204000000000, 0.0001992400000000, -0.0001745500000000 ] - [ 0.0003087300000000, 0.0002304600000000, 0.0000000000000000 ] - [ 0.0000337900000000, 0.0000665100000000, 0.0000000000000000 ] - [ -0.0002236600000000, 0.0007222900000000, -0.0005370900000000 ] - [ -0.0013817200000000, -0.0018877300000000, 0.0000000000000000 ] - [ -0.0000018800000000, 0.0004496100000000, 0.0000000000000000 ] - [ 0.0003489300000000, -0.0008918400000000, 0.0000000000000000 ] - [ 0.0001402600000000, 0.0002913300000000, 0.0000000000000000 ] - [ -0.0005079900000000, 0.0003873800000000, 0.0000000000000000 ] - [ 0.0002110500000000, -0.0000098100000000, -0.0001051100000000 ] - [ -0.0000204000000000, 0.0001992400000000, 0.0001745500000000 ] - [ 0.0003251700000000, 0.0006084700000000, 0.0000000000000000 ] - [ -0.0000634500000000, 0.0002178500000000, 0.0000000000000000 ] - [ -0.0000597900000000, 0.0003237500000000, 0.0000000000000000 ] - [ -0.0010889800000000, 0.0003960900000000, -0.0036770700000000 ] - [ -0.0010889800000000, 0.0003960900000000, 0.0036770700000000 ] - [ -0.0002236600000000, 0.0007222900000000, 0.0005370900000000 ] - [ -0.0000068000000000, 0.0003009200000000, -0.0002498100000000 ] - [ -0.0001180000000000, 0.0001170600000000, 0.0000000000000000 ] - [ 0.0013993000000000, 0.0066701500000000, 0.0000000000000000 ] - [ -0.0001260300000000, -0.0000032200000000, 0.0000000000000000 ] - [ -0.0000876500000000, 0.0005335300000000, 0.0000000000000000 ] - [ 0.0002110500000000, -0.0000098100000000, 0.0001051100000000 ]- atom: 42 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001497500000000, 0.0000128900000000, -0.0000502800000000 ] - [ 0.0001469300000000, 0.0001664500000000, 0.0000000000000000 ] - [ -0.0003592800000000, -0.0001166400000000, -0.0000081700000000 ] - [ 0.0000137700000000, 0.0001282300000000, -0.0000052100000000 ] - [ -0.0000901900000000, 0.0001123200000000, 0.0000000000000000 ] - [ -0.0001663600000000, -0.0016607700000000, 0.0008372500000000 ] - [ -0.0001663600000000, -0.0016607700000000, -0.0008372500000000 ] - [ -0.0001497500000000, 0.0000128900000000, 0.0000502800000000 ] - [ 0.0004415000000000, -0.0009587900000000, 0.0000000000000000 ] - [ -0.0003592800000000, -0.0001166400000000, 0.0000081700000000 ] - [ -0.0000062800000000, -0.0001507800000000, 0.0000038600000000 ] - [ 0.0000137700000000, 0.0001282300000000, 0.0000052100000000 ] - [ -0.0000346300000000, -0.0001744800000000, 0.0000000000000000 ] - [ -0.0000062800000000, -0.0001507800000000, -0.0000038600000000 ] - [ -0.0002414700000000, 0.0005064200000000, -0.0002619200000000 ] - [ 0.0001635600000000, -0.0002058100000000, 0.0000000000000000 ] - [ -0.0001386900000000, 0.0002919100000000, 0.0000827000000000 ] - [ 0.0002558500000000, -0.0010174100000000, -0.0001846700000000 ] - [ -0.0000636400000000, -0.0000900600000000, 0.0000000000000000 ] - [ 0.0000121300000000, 0.0000926700000000, 0.0000029800000000 ] - [ 0.0000121300000000, 0.0000926700000000, -0.0000029800000000 ] - [ -0.0002414700000000, 0.0005064200000000, 0.0002619200000000 ] - [ -0.0001162100000000, 0.0002079100000000, 0.0000000000000000 ] - [ -0.0001386900000000, 0.0002919100000000, -0.0000827000000000 ] - [ 0.0001136400000000, 0.0003765900000000, 0.0000946400000000 ] - [ 0.0002558500000000, -0.0010174100000000, 0.0001846700000000 ] - [ 0.0003309400000000, 0.0006644500000000, 0.0000000000000000 ] - [ 0.0001136400000000, 0.0003765900000000, -0.0000946400000000 ] - [ -0.0000107300000000, 0.0000336400000000, 0.0000000000000000 ] - [ 0.0002236000000000, -0.0001010200000000, 0.0000000000000000 ] - [ -0.0002667900000000, -0.0006918800000000, 0.0000000000000000 ] - [ 0.0002230800000000, -0.0007390800000000, 0.0000000000000000 ] - [ -0.0002446100000000, -0.0002593200000000, 0.0000000000000000 ] - [ -0.0000894200000000, 0.0002128200000000, 0.0000000000000000 ] - [ 0.0000237000000000, 0.0017555100000000, 0.0000000000000000 ] - [ 0.0002104700000000, 0.0002309000000000, 0.0000000000000000 ] - [ -0.0002474000000000, 0.0002989300000000, 0.0000000000000000 ] - [ -0.0002272300000000, 0.0003743800000000, 0.0000000000000000 ] - [ 0.0001104500000000, 0.0004376700000000, 0.0000000000000000 ] - [ 0.0074530900000000, -0.0096150500000000, 0.0000000000000000 ] - [ 0.0001739500000000, 0.0002944900000000, 0.0000000000000000 ] - [ -0.0096668100000000, 0.0203413300000000, 0.0000000000000000 ] - [ 0.0000577500000000, 0.0001461500000000, 0.0001206500000000 ] - [ 0.0002054500000000, 0.0003584700000000, -0.0004899000000000 ] - [ 0.0000364000000000, 0.0000171800000000, 0.0000000000000000 ] - [ -0.0002494100000000, 0.0002059800000000, 0.0000000000000000 ] - [ 0.0000264400000000, -0.0000710600000000, -0.0001230000000000 ] - [ -0.0000308500000000, -0.0001633100000000, 0.0000000000000000 ] - [ -0.0003115800000000, 0.0005560600000000, 0.0000000000000000 ] - [ 0.0000318300000000, -0.0000966100000000, 0.0000000000000000 ] - [ 0.0003195500000000, 0.0008228000000000, 0.0000000000000000 ] - [ 0.0004153300000000, -0.0004998700000000, 0.0000000000000000 ] - [ -0.0001652500000000, -0.0000742700000000, -0.0001277200000000 ] - [ 0.0002054500000000, 0.0003584700000000, 0.0004899000000000 ] - [ -0.0001151200000000, 0.0000233700000000, 0.0000000000000000 ] - [ 0.0002213900000000, 0.0001848700000000, 0.0000000000000000 ] - [ 0.0003116000000000, 0.0000510100000000, 0.0000000000000000 ] - [ 0.0000518000000000, -0.0000837100000000, 0.0000482700000000 ] - [ 0.0000518000000000, -0.0000837100000000, -0.0000482700000000 ] - [ 0.0000264400000000, -0.0000710600000000, 0.0001230000000000 ] - [ 0.0000577500000000, 0.0001461500000000, -0.0001206500000000 ] - [ 0.0000462100000000, 0.0003383300000000, 0.0000000000000000 ] - [ 0.0000310200000000, -0.0000433100000000, 0.0000000000000000 ] - [ -0.0003150600000000, -0.0002120400000000, 0.0000000000000000 ] - [ 0.0001099900000000, -0.0000472500000000, 0.0000000000000000 ] - [ -0.0001652500000000, -0.0000742700000000, 0.0001277200000000 ] - [ -0.0000529100000000, -0.0002893500000000, 0.0000000000000000 ] - [ 0.0000369900000000, -0.0001152200000000, 0.0000000000000000 ] - [ -0.0000734500000000, -0.0002217400000000, 0.0000125200000000 ] - [ 0.0000998400000000, -0.0001202900000000, -0.0000868200000000 ] - [ -0.0000690900000000, -0.0001617100000000, 0.0000000000000000 ] - [ -0.0001035700000000, -0.0003088900000000, 0.0000000000000000 ] - [ 0.0001469200000000, -0.0008090800000000, 0.0002816800000000 ] - [ 0.0014127900000000, 0.0019427700000000, 0.0000000000000000 ] - [ -0.0000678600000000, -0.0002097400000000, 0.0000000000000000 ] - [ -0.0003636100000000, 0.0009455800000000, 0.0000000000000000 ] - [ -0.0000873200000000, -0.0002767900000000, 0.0000000000000000 ] - [ 0.0005226100000000, -0.0004398100000000, 0.0000000000000000 ] - [ -0.0001317200000000, -0.0000697400000000, -0.0001565700000000 ] - [ 0.0000998400000000, -0.0001202900000000, 0.0000868200000000 ] - [ -0.0005723700000000, -0.0005451000000000, 0.0000000000000000 ] - [ -0.0001788100000000, -0.0002876600000000, 0.0000000000000000 ] - [ 0.0002998600000000, -0.0003931900000000, 0.0000000000000000 ] - [ 0.0010841700000000, -0.0003972600000000, 0.0036584000000000 ] - [ 0.0010841700000000, -0.0003972600000000, -0.0036584000000000 ] - [ 0.0001469200000000, -0.0008090800000000, -0.0002816800000000 ] - [ -0.0000734500000000, -0.0002217400000000, -0.0000125200000000 ] - [ 0.0001710600000000, -0.0001323600000000, 0.0000000000000000 ] - [ -0.0013952800000000, -0.0066131200000000, 0.0000000000000000 ] - [ 0.0000744100000000, -0.0000116100000000, 0.0000000000000000 ] - [ 0.0001571000000000, -0.0007775100000000, 0.0000000000000000 ] - [ -0.0001317200000000, -0.0000697400000000, 0.0001565700000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000330700000000, 0.0000398600000000, 0.0000093600000000 ] - [ -0.0000123900000000, 0.0000113100000000, -0.0001142400000000 ] - [ 0.0002259500000000, -0.0000089500000000, 0.0000173000000000 ] - [ 0.0000152600000000, -0.0000059000000000, -0.0000031300000000 ] - [ 0.0000118400000000, 0.0000122300000000, 0.0000080600000000 ] - [ -0.0002325400000000, -0.0005298000000000, 0.0010375400000000 ] - [ 0.0002981000000000, 0.0005721800000000, 0.0010935700000000 ] - [ 0.0000325000000000, -0.0000089000000000, 0.0000090500000000 ] - [ -0.0000166200000000, -0.0000105000000000, 0.0005194600000000 ] - [ -0.0002578600000000, 0.0000098600000000, 0.0000150100000000 ] - [ -0.0000336600000000, -0.0000111600000000, 0.0000018200000000 ] - [ -0.0000156600000000, -0.0000254500000000, -0.0000028800000000 ] - [ 0.0000122000000000, -0.0000124600000000, -0.0000449400000000 ] - [ 0.0000327000000000, 0.0000108100000000, 0.0000010000000000 ] - [ -0.0000123200000000, 0.0002597100000000, 0.0000141700000000 ] - [ -0.0000126800000000, 0.0000108800000000, 0.0000918200000000 ] - [ 0.0000215600000000, -0.0000463500000000, -0.0000076300000000 ] - [ -0.0003997600000000, -0.0002095700000000, 0.0009404900000000 ] - [ 0.0000116800000000, 0.0000126900000000, -0.0003312800000000 ] - [ 0.0000264200000000, 0.0000159300000000, 0.0000039100000000 ] - [ 0.0000046200000000, -0.0000160100000000, 0.0000035900000000 ] - [ 0.0000111900000000, -0.0002284800000000, 0.0000167400000000 ] - [ -0.0000123200000000, -0.0000122200000000, -0.0000034600000000 ] - [ -0.0000531000000000, 0.0000464000000000, -0.0000075200000000 ] - [ -0.0000172500000000, -0.0000378000000000, -0.0000011300000000 ] - [ 0.0003612800000000, 0.0001462400000000, 0.0008892300000000 ] - [ 0.0000130300000000, -0.0000113100000000, 0.0000409700000000 ] - [ 0.0000171300000000, 0.0000383100000000, -0.0000004600000000 ] - [ 0.0000600400000000, 0.0000603800000000, -0.0000136800000000 ] - [ -0.0000605300000000, 0.0000610500000000, 0.0001839800000000 ] - [ -0.0000612800000000, -0.0000599700000000, -0.0004503900000000 ] - [ 0.0000005100000000, -0.0000006700000000, -0.0021715600000000 ] - [ 0.0000595200000000, -0.0000608600000000, 0.0000322500000000 ] - [ -0.0000002500000000, 0.0000001000000000, -0.0000067800000000 ] - [ 0.0000611500000000, 0.0000599900000000, 0.0006188400000000 ] - [ -0.0000595700000000, 0.0000610200000000, -0.0002112800000000 ] - [ -0.0000610200000000, -0.0000604200000000, 0.0000179400000000 ] - [ -0.0000001500000000, 0.0000000000000000, 0.0000078100000000 ] - [ 0.0000602900000000, -0.0000602000000000, -0.0000340200000000 ] - [ 0.0000126800000000, -0.0000130900000000, 0.0017423900000000 ] - [ 0.0000349300000000, 0.0001208700000000, -0.0000309200000000 ] - [ -0.0000083000000000, 0.0000088300000000, -0.0107345300000000 ] - [ -0.0000307600000000, 0.0000414900000000, 0.0001123000000000 ] - [ -0.0001659700000000, 0.0001051700000000, 0.0001034100000000 ] - [ 0.0001206400000000, 0.0000342400000000, -0.0000266300000000 ] - [ -0.0000355900000000, -0.0001217400000000, -0.0002922100000000 ] - [ -0.0000361300000000, -0.0000467600000000, -0.0001215800000000 ] - [ 0.0000074500000000, 0.0000258700000000, 0.0000172900000000 ] - [ -0.0000334800000000, 0.0001201100000000, 0.0003895500000000 ] - [ -0.0000076000000000, 0.0000259300000000, -0.0000076800000000 ] - [ 0.0000259000000000, 0.0000084700000000, 0.0005241500000000 ] - [ 0.0000075400000000, -0.0000262500000000, -0.0000296100000000 ] - [ 0.0001491400000000, 0.0000607500000000, -0.0002389600000000 ] - [ 0.0002463100000000, -0.0000257400000000, 0.0003646500000000 ] - [ -0.0001205400000000, 0.0000343200000000, 0.0000101200000000 ] - [ -0.0001204700000000, -0.0000343800000000, -0.0000237500000000 ] - [ 0.0001213700000000, -0.0000348500000000, 0.0000756100000000 ] - [ 0.0000030500000000, -0.0000014200000000, 0.0000005300000000 ] - [ -0.0000032000000000, 0.0000011600000000, 0.0000008700000000 ] - [ -0.0000439800000000, -0.0000336300000000, 0.0001398400000000 ] - [ -0.0000488200000000, 0.0000388800000000, -0.0001498800000000 ] - [ 0.0000251400000000, -0.0000068900000000, -0.0002310100000000 ] - [ -0.0000077200000000, -0.0000262500000000, 0.0000170400000000 ] - [ -0.0000274600000000, -0.0000076900000000, 0.0005674200000000 ] - [ 0.0000345600000000, -0.0001209100000000, 0.0000273200000000 ] - [ -0.0000691300000000, -0.0001404000000000, 0.0000235500000000 ] - [ 0.0000343800000000, 0.0001203500000000, 0.0000369900000000 ] - [ -0.0000262200000000, 0.0000075400000000, 0.0000085300000000 ] - [ -0.0000393000000000, 0.0000532600000000, 0.0001498000000000 ] - [ 0.0000331100000000, 0.0000458500000000, -0.0001391200000000 ] - [ 0.0001200000000000, 0.0000332600000000, 0.0003323300000000 ] - [ -0.0000349600000000, -0.0001215600000000, 0.0000285300000000 ] - [ 0.0000792000000000, -0.0004326600000000, -0.0002605300000000 ] - [ 0.0000220000000000, 0.0000306600000000, -0.0008668600000000 ] - [ -0.0000343200000000, 0.0001204600000000, -0.0000112700000000 ] - [ -0.0000089000000000, 0.0000272800000000, 0.0009606600000000 ] - [ 0.0000257300000000, 0.0000072300000000, -0.0000191300000000 ] - [ 0.0000067700000000, -0.0000255500000000, 0.0005234500000000 ] - [ 0.0001600000000000, 0.0000808200000000, -0.0000454900000000 ] - [ 0.0000469700000000, 0.0000338200000000, 0.0001227300000000 ] - [ -0.0001209200000000, 0.0000350500000000, -0.0003127000000000 ] - [ -0.0001209100000000, -0.0000348400000000, 0.0000307600000000 ] - [ 0.0001213000000000, -0.0000351400000000, -0.0000290700000000 ] - [ 0.0015072000000000, -0.0014801600000000, 0.0029572500000000 ] - [ -0.0015264700000000, 0.0014986900000000, 0.0029659500000000 ] - [ -0.0001594000000000, 0.0003511200000000, 0.0000019100000000 ] - [ -0.0000411300000000, 0.0000263100000000, -0.0001109300000000 ] - [ 0.0000263400000000, -0.0000080700000000, 0.0000359500000000 ] - [ -0.0000116700000000, -0.0000409000000000, -0.0008670900000000 ] - [ -0.0000259800000000, -0.0000076400000000, -0.0000153700000000 ] - [ 0.0000343800000000, -0.0001213900000000, -0.0000914000000000 ] - [ -0.0000817000000000, -0.0001618600000000, 0.0002152600000000 ]- atom: 43 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001447000000000, -0.0003146200000000, 0.0002458100000000 ] - [ -0.0001212100000000, 0.0000548100000000, -0.0000041000000000 ] - [ 0.0002543700000000, -0.0001093000000000, 0.0000116600000000 ] - [ 0.0000513100000000, -0.0000068200000000, -0.0000254200000000 ] - [ 0.0001992400000000, 0.0000782300000000, -0.0000388300000000 ] - [ -0.0002771700000000, 0.0000263900000000, -0.0000197000000000 ] - [ -0.0002543100000000, 0.0000252600000000, 0.0000214000000000 ] - [ 0.0011127500000000, 0.0000434300000000, -0.0002157500000000 ] - [ -0.0006157800000000, -0.0001609400000000, -0.0000111000000000 ] - [ 0.0005042400000000, 0.0000361000000000, 0.0000698900000000 ] - [ 0.0001005800000000, 0.0003131500000000, 0.0002496200000000 ] - [ 0.0000389600000000, 0.0000055100000000, 0.0000235800000000 ] - [ 0.0003475700000000, -0.0003717900000000, -0.0014073700000000 ] - [ -0.0002495700000000, 0.0008322200000000, -0.0003130800000000 ] - [ -0.0000830200000000, -0.0000630100000000, 0.0000031000000000 ] - [ 0.0018399700000000, -0.0013036200000000, 0.0014503900000000 ] - [ -0.0001664100000000, -0.0000673600000000, -0.0000138400000000 ] - [ -0.0001991500000000, 0.0000106900000000, -0.0000460000000000 ] - [ -0.0002577100000000, -0.0000487400000000, -0.0000069900000000 ] - [ 0.0002491700000000, 0.0000464200000000, 0.0000238700000000 ] - [ 0.0003136600000000, 0.0000874000000000, -0.0000342800000000 ] - [ -0.0000624400000000, -0.0000394200000000, -0.0000024800000000 ] - [ 0.0000939100000000, 0.0000034100000000, 0.0000124000000000 ] - [ -0.0001400200000000, -0.0000491400000000, 0.0000139700000000 ] - [ -0.0001490500000000, 0.0001117600000000, -0.0000207100000000 ] - [ -0.0004318200000000, 0.0000126900000000, 0.0000463100000000 ] - [ -0.0001182700000000, 0.0000076400000000, 0.0000021700000000 ] - [ -0.0001078400000000, 0.0000727500000000, 0.0000116200000000 ] - [ 0.0002723900000000, -0.0000021400000000, 0.0000368500000000 ] - [ -0.0000800300000000, 0.0003854600000000, 0.0000277400000000 ] - [ -0.0002958600000000, 0.0001097800000000, -0.0000267800000000 ] - [ -0.0003347400000000, -0.0001576800000000, 0.0000362900000000 ] - [ 0.0064441300000000, -0.0057889700000000, -0.0161133100000000 ] - [ 0.0001756800000000, -0.0001148100000000, -0.0000512000000000 ] - [ -0.0003325200000000, 0.0000760900000000, -0.0000009800000000 ] - [ -0.0003457500000000, 0.0003871600000000, 0.0005038000000000 ] - [ -0.0000742000000000, 0.0001168400000000, -0.0000111300000000 ] - [ 0.0001309300000000, -0.0001962400000000, 0.0000463700000000 ] - [ -0.0000762100000000, -0.0000555000000000, 0.0000011700000000 ] - [ -0.0005644700000000, -0.0004282000000000, -0.0000178100000000 ] - [ -0.0008831200000000, -0.0008682600000000, -0.0005482400000000 ] - [ 0.0003932800000000, -0.0000901200000000, 0.0000091700000000 ] - [ -0.0145162400000000, 0.0083325400000000, 0.0195591700000000 ] - [ 0.0002878000000000, 0.0000001600000000, -0.0000130900000000 ] - [ 0.0000725900000000, -0.0000661600000000, -0.0000241700000000 ] - [ 0.0001393800000000, -0.0004715100000000, -0.0000070600000000 ] - [ -0.0002206000000000, -0.0000004000000000, -0.0001538800000000 ] - [ 0.0000386800000000, 0.0000774800000000, 0.0000066900000000 ] - [ 0.0001091100000000, -0.0000355100000000, 0.0000286800000000 ] - [ -0.0001136300000000, 0.0000788400000000, -0.0000009600000000 ] - [ 0.0002660700000000, 0.0001736400000000, -0.0002063600000000 ] - [ 0.0000415500000000, 0.0002579500000000, -0.0001003200000000 ] - [ 0.0001158000000000, -0.0001342700000000, -0.0002143900000000 ] - [ 0.0002596300000000, 0.0000525100000000, 0.0000356100000000 ] - [ -0.0002429700000000, -0.0000064600000000, 0.0000236500000000 ] - [ 0.0044474200000000, 0.0000345400000000, -0.0027261200000000 ] - [ 0.0003008700000000, -0.0000991100000000, 0.0004313600000000 ] - [ -0.0000474400000000, 0.0000703700000000, -0.0000480000000000 ] - [ -0.0000670200000000, 0.0001916700000000, 0.0000386800000000 ] - [ -0.0001383800000000, -0.0000528200000000, 0.0000924300000000 ] - [ -0.0005533800000000, -0.0001536800000000, -0.0002690300000000 ] - [ -0.0000180000000000, 0.0001980400000000, 0.0001096500000000 ] - [ -0.0003253100000000, -0.0000451600000000, 0.0000656500000000 ] - [ 0.0001553600000000, 0.0000585600000000, -0.0000039800000000 ] - [ -0.0002744500000000, -0.0000156300000000, -0.0000299300000000 ] - [ 0.0001303000000000, -0.0001501500000000, 0.0002063600000000 ] - [ 0.0001335200000000, 0.0001163800000000, -0.0000007400000000 ] - [ -0.0001566200000000, 0.0000410100000000, 0.0000009500000000 ] - [ 0.0000446000000000, 0.0000297400000000, 0.0001040300000000 ] - [ -0.0000140900000000, -0.0000064700000000, -0.0001074700000000 ] - [ 0.0004587800000000, 0.0000376900000000, -0.0000885800000000 ] - [ -0.0001180700000000, -0.0004761900000000, -0.0001009600000000 ] - [ 0.0001583400000000, 0.0000060900000000, -0.0000972800000000 ] - [ 0.0007763600000000, 0.0005710500000000, 0.0003941600000000 ] - [ -0.0000061100000000, -0.0001212000000000, 0.0000135900000000 ] - [ 0.0002537200000000, -0.0000263900000000, -0.0000133600000000 ] - [ 0.0000690800000000, 0.0000675400000000, -0.0000066700000000 ] - [ 0.0000374600000000, 0.0001197800000000, -0.0001215800000000 ] - [ 0.0010127000000000, -0.0013008900000000, -0.0011508000000000 ] - [ -0.0000120300000000, -0.0000036800000000, 0.0001147300000000 ] - [ 0.0002300100000000, -0.0001039800000000, 0.0000196200000000 ] - [ -0.0000199800000000, -0.0000257000000000, -0.0000021600000000 ] - [ 0.0001849200000000, -0.0000606400000000, 0.0000044200000000 ] - [ 0.0002125500000000, 0.0000738200000000, -0.0000607800000000 ] - [ 0.0001156100000000, 0.0000813500000000, 0.0000982700000000 ] - [ 0.0001726600000000, 0.0000031400000000, 0.0000989900000000 ] - [ 0.0000476400000000, 0.0000288900000000, -0.0001030500000000 ] - [ 0.0000887000000000, 0.0001630500000000, 0.0001205700000000 ] - [ 0.0001519500000000, 0.0000303800000000, 0.0000059600000000 ] - [ -0.0003657900000000, 0.0001786100000000, -0.0001196200000000 ] - [ 0.0001527000000000, -0.0001548900000000, 0.0000019100000000 ] - [ 0.0000980900000000, -0.0001704200000000, 0.0002771700000000 ]- atom: 43 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001464500000000, 0.0003461400000000, -0.0002454600000000 ] - [ 0.0000967500000000, -0.0000308400000000, 0.0000043700000000 ] - [ -0.0002829600000000, 0.0001097900000000, -0.0000104800000000 ] - [ -0.0000515800000000, -0.0000250700000000, 0.0000253200000000 ] - [ -0.0001739600000000, -0.0000522000000000, 0.0000387200000000 ] - [ 0.0003084500000000, -0.0000267900000000, 0.0000199800000000 ] - [ 0.0002860600000000, -0.0000255400000000, -0.0000212500000000 ] - [ -0.0011672900000000, -0.0000519400000000, 0.0002078600000000 ] - [ 0.0005919100000000, 0.0001371100000000, 0.0000114100000000 ] - [ -0.0005217600000000, -0.0000141400000000, -0.0000735600000000 ] - [ -0.0001033000000000, -0.0003128500000000, -0.0002481500000000 ] - [ -0.0000394100000000, -0.0000370500000000, -0.0000230400000000 ] - [ -0.0003318300000000, 0.0003486100000000, 0.0014170000000000 ] - [ 0.0002452800000000, -0.0008318200000000, 0.0003126800000000 ] - [ 0.0000829000000000, 0.0000948400000000, -0.0000030700000000 ] - [ -0.0018353600000000, 0.0012853000000000, -0.0014060300000000 ] - [ 0.0001339800000000, 0.0000677400000000, 0.0000142400000000 ] - [ 0.0001992000000000, -0.0000426100000000, 0.0000460100000000 ] - [ 0.0002813400000000, 0.0000726100000000, 0.0000073400000000 ] - [ -0.0002163400000000, -0.0000464400000000, -0.0000234500000000 ] - [ -0.0002805600000000, -0.0000879900000000, 0.0000341100000000 ] - [ 0.0000624400000000, 0.0000712300000000, 0.0000028400000000 ] - [ -0.0001172600000000, -0.0000269700000000, -0.0000120800000000 ] - [ 0.0001073700000000, 0.0000493000000000, -0.0000137300000000 ] - [ 0.0001487000000000, -0.0001111000000000, 0.0000207700000000 ] - [ 0.0004301100000000, -0.0000442400000000, -0.0000456600000000 ] - [ 0.0001418900000000, -0.0000314700000000, -0.0000019400000000 ] - [ 0.0001078100000000, -0.0000724600000000, -0.0000112400000000 ] - [ -0.0001520700000000, 0.0001239100000000, -0.0000359600000000 ] - [ -0.0000428100000000, -0.0002653800000000, -0.0000276600000000 ] - [ 0.0001726600000000, -0.0002310600000000, 0.0000274900000000 ] - [ 0.0003344700000000, 0.0001569300000000, -0.0000360100000000 ] - [ -0.0062191800000000, 0.0057392600000000, 0.0162796700000000 ] - [ -0.0001766800000000, 0.0001151300000000, 0.0000519500000000 ] - [ 0.0004528300000000, 0.0000450800000000, 0.0000011200000000 ] - [ 0.0002250400000000, -0.0002660400000000, -0.0005008300000000 ] - [ -0.0000464700000000, -0.0002369200000000, 0.0000115700000000 ] - [ -0.0001328200000000, 0.0001956800000000, -0.0000466800000000 ] - [ 0.0001968600000000, -0.0000651700000000, -0.0000008400000000 ] - [ 0.0005628900000000, 0.0004254700000000, 0.0000183000000000 ] - [ 0.0009537500000000, 0.0010909600000000, 0.0005403700000000 ] - [ -0.0004446700000000, 0.0001052300000000, -0.0000089300000000 ] - [ 0.0143762800000000, -0.0082296200000000, -0.0195187700000000 ] - [ -0.0002074900000000, 0.0000802400000000, -0.0002485500000000 ] - [ 0.0001710900000000, 0.0001347500000000, 0.0000248500000000 ] - [ -0.0002074100000000, 0.0002303400000000, 0.0000074400000000 ] - [ 0.0001397100000000, -0.0000801400000000, -0.0001070400000000 ] - [ -0.0000229500000000, -0.0000251300000000, -0.0000063100000000 ] - [ -0.0001774000000000, 0.0002769800000000, -0.0000286800000000 ] - [ 0.0000980100000000, -0.0000260200000000, 0.0000013800000000 ] - [ -0.0002136000000000, -0.0001577000000000, 0.0002058300000000 ] - [ -0.0000251600000000, -0.0003111400000000, 0.0001010500000000 ] - [ -0.0000351700000000, 0.0000539700000000, -0.0000469100000000 ] - [ -0.0001788400000000, 0.0000279900000000, 0.0002267500000000 ] - [ 0.0000019000000000, 0.0000749400000000, -0.0000236400000000 ] - [ -0.0047256900000000, -0.0001030600000000, 0.0027524900000000 ] - [ -0.0000589600000000, 0.0000297000000000, -0.0004348700000000 ] - [ 0.0000477900000000, -0.0000702200000000, 0.0000478500000000 ] - [ 0.0000674800000000, -0.0001924500000000, -0.0000380200000000 ] - [ 0.0000582000000000, -0.0000279200000000, 0.0001684300000000 ] - [ 0.0004723700000000, 0.0002368800000000, -0.0000106100000000 ] - [ 0.0000690100000000, -0.0002125500000000, -0.0001087200000000 ] - [ 0.0003099800000000, -0.0000065200000000, -0.0000654000000000 ] - [ -0.0002075600000000, -0.0000739100000000, 0.0000040400000000 ] - [ 0.0003430200000000, -0.0002270900000000, 0.0000310300000000 ] - [ -0.0000496000000000, 0.0000702200000000, 0.0000553100000000 ] - [ -0.0000645600000000, 0.0001252200000000, 0.0000009200000000 ] - [ 0.0001038000000000, -0.0000252600000000, -0.0000007700000000 ] - [ -0.0001244100000000, 0.0000502900000000, 0.0001573400000000 ] - [ 0.0000938700000000, 0.0000864300000000, -0.0001543500000000 ] - [ -0.0002168400000000, 0.0000309700000000, 0.0000883400000000 ] - [ 0.0000481300000000, 0.0002321100000000, 0.0001003800000000 ] - [ -0.0002382200000000, -0.0000862200000000, -0.0001635200000000 ] - [ -0.0007554300000000, -0.0005142000000000, -0.0003897100000000 ] - [ -0.0000627500000000, 0.0003617900000000, -0.0000134200000000 ] - [ -0.0002688800000000, 0.0000790400000000, 0.0000135000000000 ] - [ -0.0000162900000000, -0.0000524000000000, 0.0000073100000000 ] - [ -0.0000226000000000, -0.0001716800000000, 0.0001210700000000 ] - [ -0.0009183600000000, 0.0012002600000000, 0.0008782900000000 ] - [ 0.0000914900000000, 0.0000833000000000, 0.0001462100000000 ] - [ -0.0004715600000000, 0.0001726700000000, -0.0000192400000000 ] - [ -0.0002217000000000, -0.0000433400000000, 0.0000024500000000 ] - [ 0.0000571500000000, -0.0000087600000000, -0.0000041600000000 ] - [ -0.0002123000000000, -0.0000734400000000, 0.0000604700000000 ] - [ -0.0001156000000000, -0.0000810000000000, -0.0000969200000000 ] - [ -0.0002524700000000, -0.0000833200000000, 0.0001626600000000 ] - [ -0.0001277900000000, 0.0000510400000000, -0.0001579300000000 ] - [ -0.0000354400000000, -0.0001794800000000, -0.0001214000000000 ] - [ -0.0001673700000000, -0.0000827100000000, -0.0000058400000000 ] - [ 0.0003147800000000, -0.0001915400000000, 0.0001189900000000 ] - [ -0.0000833500000000, -0.0000870900000000, -0.0000014800000000 ] - [ -0.0000182600000000, 0.0000905400000000, -0.0000152000000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001347200000000, 0.0003721000000000, -0.0005154400000000 ] - [ -0.0000048600000000, 0.0000048600000000, -0.0000043300000000 ] - [ -0.0003721000000000, -0.0001347200000000, -0.0005154400000000 ] - [ -0.0000231700000000, -0.0000898800000000, 0.0000911700000000 ] - [ -0.0001599900000000, -0.0003769800000000, 0.0000572300000000 ] - [ 0.0000898800000000, 0.0000231700000000, 0.0000911700000000 ] - [ 0.0000918800000000, 0.0000121100000000, -0.0000885700000000 ] - [ -0.0005422300000000, -0.0002383200000000, 0.0006879500000000 ] - [ 0.0003769800000000, 0.0001599900000000, 0.0000572300000000 ] - [ 0.0002383200000000, 0.0005422300000000, 0.0006879500000000 ] - [ 0.0002200200000000, -0.0002200200000000, -0.0006870400000000 ] - [ -0.0000121100000000, -0.0000918800000000, -0.0000885700000000 ] - [ -0.0016302100000000, 0.0016302100000000, 0.0068265300000000 ] - [ -0.0003792600000000, 0.0003792600000000, 0.0006900600000000 ] - [ 0.0000194600000000, 0.0000285200000000, 0.0000417900000000 ] - [ 0.0014874700000000, -0.0014874700000000, 0.0028865000000000 ] - [ -0.0000285200000000, -0.0000194600000000, 0.0000417900000000 ] - [ 0.0000125800000000, 0.0000141800000000, -0.0001608800000000 ] - [ 0.0000475000000000, 0.0000265800000000, -0.0000149000000000 ] - [ -0.0000141800000000, -0.0000125800000000, -0.0001608800000000 ] - [ -0.0000486700000000, -0.0002129700000000, 0.0001739800000000 ] - [ 0.0000034500000000, 0.0000075000000000, -0.0000412600000000 ] - [ -0.0000265800000000, -0.0000475000000000, -0.0000149000000000 ] - [ -0.0000075000000000, -0.0000034500000000, -0.0000412600000000 ] - [ 0.0000970600000000, -0.0000970600000000, 0.0000747100000000 ] - [ 0.0002129700000000, 0.0000486700000000, 0.0001739800000000 ] - [ 0.0000545600000000, -0.0000545600000000, 0.0000033400000000 ] - [ 0.0000349000000000, -0.0000349000000000, -0.0000638900000000 ] - [ -0.0000351200000000, 0.0007929800000000, -0.0000232700000000 ] - [ 0.0001252300000000, -0.0001252300000000, 0.0000254200000000 ] - [ -0.0007929800000000, 0.0000351200000000, -0.0000232700000000 ] - [ 0.0002927500000000, 0.0002740500000000, -0.0000392800000000 ] - [ -0.0144257100000000, 0.0144257100000000, 0.0407508900000000 ] - [ -0.0002740500000000, -0.0002927500000000, -0.0000392800000000 ] - [ 0.0000449700000000, 0.0000798300000000, 0.0000092400000000 ] - [ 0.0001721200000000, -0.0001721200000000, -0.0007479200000000 ] - [ -0.0000798300000000, -0.0000449700000000, 0.0000092400000000 ] - [ 0.0001341400000000, 0.0001370100000000, 0.0000485900000000 ] - [ 0.0001054100000000, -0.0001054100000000, -0.0000044800000000 ] - [ -0.0001370100000000, -0.0001341400000000, 0.0000485900000000 ] - [ 0.0000730300000000, 0.0047352500000000, 0.0016472200000000 ] - [ -0.0000478800000000, 0.0000180400000000, -0.0000188900000000 ] - [ 0.0198456300000000, -0.0198456300000000, -0.0612170300000000 ] - [ 0.0001576200000000, 0.0000162300000000, -0.0003220800000000 ] - [ -0.0001807500000000, 0.0001799400000000, -0.0000527400000000 ] - [ -0.0001799400000000, 0.0001807500000000, -0.0000527400000000 ] - [ -0.0000162300000000, -0.0001576200000000, -0.0003220800000000 ] - [ 0.0000153300000000, 0.0000559500000000, 0.0000090000000000 ] - [ 0.0000469800000000, 0.0000176900000000, 0.0000391300000000 ] - [ -0.0000180400000000, 0.0000478800000000, -0.0000188900000000 ] - [ -0.0004638800000000, -0.0003495200000000, 0.0002342700000000 ] - [ 0.0000109700000000, -0.0001359800000000, -0.0001078700000000 ] - [ -0.0000436800000000, 0.0000436800000000, 0.0000046500000000 ] - [ 0.0001347600000000, 0.0000777400000000, 0.0004905400000000 ] - [ -0.0000176900000000, -0.0000469800000000, 0.0000391300000000 ] - [ -0.0047352500000000, -0.0000730300000000, 0.0016472200000000 ] - [ 0.0010087700000000, -0.0002864700000000, 0.0006028400000000 ] - [ 0.0000235800000000, -0.0000059600000000, 0.0002107100000000 ] - [ 0.0000282700000000, 0.0000955000000000, -0.0001952200000000 ] - [ -0.0000777400000000, -0.0001347600000000, 0.0004905400000000 ] - [ 0.0000897000000000, -0.0000897000000000, 0.0047260700000000 ] - [ 0.0001359800000000, -0.0000109700000000, -0.0001078700000000 ] - [ 0.0003495200000000, 0.0004638800000000, 0.0002342700000000 ] - [ -0.0000559500000000, -0.0000153300000000, 0.0000090000000000 ] - [ 0.0002864700000000, -0.0010087700000000, 0.0006028400000000 ] - [ -0.0000354500000000, 0.0000354500000000, -0.0000268500000000 ] - [ 0.0000160600000000, 0.0001615800000000, 0.0000040300000000 ] - [ -0.0000155800000000, 0.0001259200000000, 0.0000192700000000 ] - [ -0.0000665700000000, 0.0000665700000000, 0.0001630300000000 ] - [ 0.0000635400000000, 0.0000731500000000, -0.0000754900000000 ] - [ -0.0001082100000000, 0.0000093800000000, 0.0001306800000000 ] - [ -0.0000093800000000, 0.0001082100000000, 0.0001306800000000 ] - [ -0.0000731500000000, -0.0000635400000000, -0.0000754900000000 ] - [ 0.0004151800000000, 0.0002307000000000, -0.0001304800000000 ] - [ 0.0000027000000000, 0.0000299000000000, -0.0000383400000000 ] - [ -0.0001259200000000, 0.0000155800000000, 0.0000192700000000 ] - [ 0.0000407300000000, 0.0000512400000000, -0.0000079800000000 ] - [ -0.0000182900000000, -0.0001136200000000, 0.0000849800000000 ] - [ -0.0009729500000000, 0.0009729500000000, 0.0003900800000000 ] - [ 0.0000557300000000, 0.0000717400000000, 0.0000590500000000 ] - [ -0.0000299000000000, -0.0000027000000000, -0.0000383400000000 ] - [ -0.0001615800000000, -0.0000160600000000, 0.0000040300000000 ] - [ 0.0001250600000000, -0.0000271800000000, -0.0000054500000000 ] - [ -0.0000955000000000, -0.0000282700000000, -0.0001952200000000 ] - [ 0.0000059600000000, -0.0000235800000000, 0.0002107100000000 ] - [ -0.0000717400000000, -0.0000557300000000, 0.0000590500000000 ] - [ -0.0000673000000000, 0.0000673000000000, -0.0001590800000000 ] - [ 0.0001136200000000, 0.0000182900000000, 0.0000849800000000 ] - [ -0.0000512400000000, -0.0000407300000000, -0.0000079800000000 ] - [ -0.0002307000000000, -0.0004151800000000, -0.0001304800000000 ] - [ 0.0000271800000000, -0.0001250600000000, -0.0000054500000000 ] - [ -0.0001041600000000, 0.0001041600000000, 0.0007623900000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001326700000000, -0.0003389500000000, 0.0005190100000000 ] - [ -0.0000192800000000, 0.0000192800000000, 0.0000043500000000 ] - [ 0.0003389500000000, 0.0001326700000000, 0.0005190100000000 ] - [ 0.0000233500000000, 0.0000576400000000, -0.0000916100000000 ] - [ 0.0001846700000000, 0.0004027900000000, -0.0000567600000000 ] - [ -0.0000576400000000, -0.0000233500000000, -0.0000916100000000 ] - [ -0.0000595000000000, -0.0000123000000000, 0.0000891800000000 ] - [ 0.0005422300000000, 0.0002686500000000, -0.0006943600000000 ] - [ -0.0004027900000000, -0.0001846700000000, -0.0000567600000000 ] - [ -0.0002686500000000, -0.0005422300000000, -0.0006943600000000 ] - [ -0.0002199500000000, 0.0002199500000000, 0.0006909100000000 ] - [ 0.0000123000000000, 0.0000595000000000, 0.0000891800000000 ] - [ 0.0017275100000000, -0.0017275100000000, -0.0071547500000000 ] - [ 0.0003753500000000, -0.0003753500000000, -0.0006953700000000 ] - [ -0.0000193000000000, 0.0000044000000000, -0.0000419300000000 ] - [ -0.0014537900000000, 0.0014537900000000, -0.0028339400000000 ] - [ -0.0000044000000000, 0.0000193000000000, -0.0000419300000000 ] - [ -0.0000134900000000, -0.0000475100000000, 0.0001623400000000 ] - [ -0.0000236300000000, -0.0000023700000000, 0.0000148300000000 ] - [ 0.0000475100000000, 0.0000134900000000, 0.0001623400000000 ] - [ 0.0000818000000000, 0.0002125200000000, -0.0001752900000000 ] - [ -0.0000034400000000, 0.0000252200000000, 0.0000416200000000 ] - [ 0.0000023700000000, 0.0000236300000000, 0.0000148300000000 ] - [ -0.0000252200000000, 0.0000034400000000, 0.0000416200000000 ] - [ -0.0000975300000000, 0.0000975300000000, -0.0000747800000000 ] - [ -0.0002125200000000, -0.0000818000000000, -0.0001752900000000 ] - [ -0.0000306200000000, 0.0000306200000000, -0.0000031400000000 ] - [ -0.0000355500000000, 0.0000355500000000, 0.0000642200000000 ] - [ 0.0001566800000000, -0.0006779400000000, 0.0000218900000000 ] - [ -0.0002467800000000, 0.0002467800000000, -0.0000249900000000 ] - [ 0.0006779400000000, -0.0001566800000000, 0.0000218900000000 ] - [ -0.0002950700000000, -0.0002770900000000, 0.0000391400000000 ] - [ 0.0137755700000000, -0.0137755700000000, -0.0391311300000000 ] - [ 0.0002770900000000, 0.0002950700000000, 0.0000391400000000 ] - [ 0.0000748900000000, 0.0000410100000000, -0.0000089200000000 ] - [ -0.0002950800000000, 0.0002950800000000, 0.0007443000000000 ] - [ -0.0000410100000000, -0.0000748900000000, -0.0000089200000000 ] - [ -0.0001356100000000, -0.0001390600000000, -0.0000483700000000 ] - [ 0.0000149100000000, -0.0000149100000000, 0.0000045500000000 ] - [ 0.0001390600000000, 0.0001356100000000, -0.0000483700000000 ] - [ -0.0000087800000000, -0.0044618400000000, -0.0016442400000000 ] - [ -0.0000046500000000, -0.0000027600000000, 0.0000189100000000 ] - [ -0.0192459100000000, 0.0192459100000000, 0.0600780600000000 ] - [ -0.0000779500000000, 0.0000632600000000, 0.0000628800000000 ] - [ 0.0004228000000000, -0.0001119900000000, 0.0000527100000000 ] - [ 0.0001119900000000, -0.0004228000000000, 0.0000527100000000 ] - [ -0.0000632600000000, 0.0000779500000000, 0.0000628800000000 ] - [ -0.0000000600000000, -0.0000036600000000, -0.0000088300000000 ] - [ -0.0001163200000000, 0.0002245100000000, -0.0000386200000000 ] - [ 0.0000027600000000, 0.0000046500000000, 0.0000189100000000 ] - [ 0.0005207400000000, 0.0003689700000000, -0.0002332200000000 ] - [ 0.0000046600000000, 0.0000846500000000, 0.0001074800000000 ] - [ 0.0001239000000000, -0.0001239000000000, -0.0002665400000000 ] - [ -0.0000561400000000, 0.0000019500000000, -0.0002309100000000 ] - [ -0.0002245100000000, 0.0001163200000000, -0.0000386200000000 ] - [ 0.0044618400000000, 0.0000087800000000, -0.0016442400000000 ] - [ -0.0007779400000000, 0.0002202300000000, -0.0006056500000000 ] - [ -0.0000237200000000, 0.0000059600000000, -0.0002126300000000 ] - [ -0.0000285300000000, -0.0000947600000000, 0.0001971700000000 ] - [ -0.0000019500000000, 0.0000561400000000, -0.0002309100000000 ] - [ -0.0001689200000000, 0.0001689200000000, -0.0049290300000000 ] - [ -0.0000846500000000, -0.0000046600000000, 0.0001074800000000 ] - [ -0.0003689700000000, -0.0005207400000000, -0.0002332200000000 ] - [ 0.0000036600000000, 0.0000000600000000, -0.0000088300000000 ] - [ -0.0002202300000000, 0.0007779400000000, -0.0006056500000000 ] - [ 0.0001157200000000, -0.0001157200000000, 0.0002886000000000 ] - [ 0.0000531100000000, 0.0000797500000000, -0.0000039100000000 ] - [ -0.0000367700000000, -0.0001115200000000, -0.0000190000000000 ] - [ -0.0000130900000000, 0.0000130900000000, 0.0000983800000000 ] - [ 0.0000163800000000, 0.0000065100000000, -0.0001862300000000 ] - [ 0.0003505400000000, 0.0000597200000000, -0.0001299500000000 ] - [ -0.0000597200000000, -0.0003505400000000, -0.0001299500000000 ] - [ -0.0000065100000000, -0.0000163800000000, -0.0001862300000000 ] - [ -0.0004030400000000, -0.0001798700000000, 0.0001285800000000 ] - [ -0.0000716000000000, 0.0002106900000000, 0.0000382200000000 ] - [ 0.0001115200000000, 0.0000367700000000, -0.0000190000000000 ] - [ 0.0000114400000000, -0.0000361900000000, 0.0000081000000000 ] - [ 0.0000331100000000, 0.0000618300000000, -0.0000840300000000 ] - [ 0.0010562500000000, -0.0010562500000000, -0.0006436000000000 ] - [ 0.0000239300000000, 0.0000076400000000, 0.0002021300000000 ] - [ -0.0002106900000000, 0.0000716000000000, 0.0000382200000000 ] - [ -0.0000797500000000, -0.0000531100000000, -0.0000039100000000 ] - [ 0.0001168500000000, -0.0000423300000000, 0.0000055900000000 ] - [ 0.0000947600000000, 0.0000285300000000, 0.0001971700000000 ] - [ -0.0000059600000000, 0.0000237200000000, -0.0002126300000000 ] - [ -0.0000076400000000, -0.0000239300000000, 0.0002021300000000 ] - [ -0.0000123800000000, 0.0000123800000000, -0.0001019700000000 ] - [ -0.0000618300000000, -0.0000331100000000, -0.0000840300000000 ] - [ 0.0000361900000000, -0.0000114400000000, 0.0000081000000000 ] - [ 0.0001798700000000, 0.0004030400000000, 0.0001285800000000 ] - [ 0.0000423300000000, -0.0001168500000000, 0.0000055900000000 ] - [ 0.0001884800000000, -0.0001884800000000, -0.0005047400000000 ]- atom: 58 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004704600000000, 0.0000074700000000, -0.0000064800000000 ] - [ -0.0000270000000000, -0.0001776600000000, 0.0000033600000000 ] - [ -0.0000548000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0004377600000000, -0.0000156000000000, -0.0000103600000000 ] - [ -0.0000011300000000, 0.0002023500000000, 0.0000034700000000 ] - [ -0.0000262000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000244700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0004377600000000, 0.0000156000000000, 0.0000103600000000 ] - [ -0.0000270000000000, 0.0001776600000000, -0.0000033600000000 ] - [ -0.0000566800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000872200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0004704600000000, -0.0000074700000000, 0.0000064800000000 ] - [ -0.0000011300000000, -0.0002023500000000, -0.0000034700000000 ] - [ 0.0000891800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001062700000000, 0.0000157600000000, 0.0000199100000000 ] - [ -0.0001839800000000, -0.0001630000000000, 0.0000374900000000 ] - [ -0.0000715400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001387500000000, -0.0000158800000000, 0.0000270700000000 ] - [ -0.0001607400000000, 0.0001866700000000, 0.0000368600000000 ] - [ 0.0059271000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000384700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001387500000000, 0.0000158800000000, -0.0000270700000000 ] - [ -0.0001839800000000, 0.0001630000000000, -0.0000374900000000 ] - [ 0.0056189400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002760700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001062700000000, -0.0000157600000000, -0.0000199100000000 ] - [ -0.0001607400000000, -0.0001866700000000, -0.0000368600000000 ] - [ -0.0003716300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002147600000000, 0.0001395200000000, 0.0000057400000000 ] - [ 0.0000927600000000, -0.0000190300000000, 0.0000054800000000 ] - [ 0.0000927600000000, 0.0000190300000000, -0.0000054800000000 ] - [ -0.0001675300000000, -0.0000117100000000, 0.0000000100000000 ] - [ 0.0002147600000000, -0.0001395200000000, -0.0000057400000000 ] - [ 0.0003224500000000, -0.0000033300000000, -0.0000463500000000 ] - [ -0.0002874900000000, 0.0002249000000000, -0.0001058800000000 ] - [ -0.0004085200000000, -0.0001058100000000, -0.0001074900000000 ] - [ -0.0004085200000000, 0.0001058100000000, 0.0001074900000000 ] - [ 0.0003224500000000, 0.0000033300000000, 0.0000463500000000 ] - [ -0.0002874900000000, -0.0002249000000000, 0.0001058800000000 ] - [ -0.0001675300000000, 0.0000117100000000, -0.0000000100000000 ] - [ 0.0000009100000000, 0.0001334600000000, 0.0000005800000000 ] - [ 0.0000675700000000, -0.0000439800000000, 0.0000031100000000 ] - [ -0.0000878400000000, 0.0001215000000000, 0.0001546200000000 ] - [ -0.0000070300000000, -0.0000412300000000, -0.0001073200000000 ] - [ -0.0000352700000000, 0.0000123200000000, 0.0000029600000000 ] - [ -0.0000671300000000, -0.0001075700000000, -0.0000005800000000 ] - [ -0.0000878400000000, -0.0001215000000000, -0.0001546200000000 ] - [ 0.0004058700000000, 0.0011592000000000, -0.0014861100000000 ] - [ -0.0000671300000000, 0.0001075700000000, 0.0000005800000000 ] - [ 0.0003879800000000, -0.0011095000000000, -0.0014926500000000 ] - [ 0.0001194400000000, 0.0000593000000000, 0.0000031600000000 ] - [ 0.0004058700000000, -0.0011592000000000, 0.0014861100000000 ] - [ -0.0000263900000000, 0.0000336100000000, -0.0001025400000000 ] - [ -0.0000263900000000, -0.0000336100000000, 0.0001025400000000 ] - [ -0.0002780400000000, 0.0000574900000000, 0.0000021800000000 ] - [ -0.0002780400000000, -0.0000574900000000, -0.0000021800000000 ] - [ -0.0000352700000000, -0.0000123200000000, -0.0000029600000000 ] - [ -0.0170456900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0004017700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001076300000000, -0.0001135900000000, 0.0001591300000000 ] - [ -0.0001076300000000, 0.0001135900000000, -0.0001591300000000 ] - [ 0.0001194400000000, -0.0000593000000000, -0.0000031600000000 ] - [ 0.0003879800000000, 0.0011095000000000, 0.0014926500000000 ] - [ 0.0000675700000000, 0.0000439800000000, -0.0000031100000000 ] - [ 0.0000009100000000, -0.0001334600000000, -0.0000005800000000 ] - [ -0.0000070300000000, 0.0000412300000000, 0.0001073200000000 ] - [ 0.0003108200000000, 0.0002003800000000, -0.0002047000000000 ] - [ 0.0004273400000000, -0.0010805700000000, 0.0015203900000000 ] - [ 0.0001724700000000, 0.0002312200000000, 0.0000359400000000 ] - [ 0.0002528900000000, -0.0001531200000000, -0.0002263500000000 ] - [ 0.0003995800000000, 0.0000840000000000, 0.0000087100000000 ] - [ 0.0002428800000000, -0.0000401500000000, 0.0002074500000000 ] - [ 0.0001724700000000, -0.0002312200000000, -0.0000359400000000 ] - [ 0.0000915500000000, 0.0000709200000000, -0.0000012600000000 ] - [ 0.0002428800000000, 0.0000401500000000, -0.0002074500000000 ] - [ 0.0000761300000000, -0.0000181000000000, -0.0000012700000000 ] - [ 0.0004817700000000, 0.0010925400000000, 0.0015134000000000 ] - [ 0.0000915500000000, -0.0000709200000000, 0.0000012600000000 ] - [ 0.0001553800000000, 0.0000307000000000, -0.0001242100000000 ] - [ 0.0001553800000000, -0.0000307000000000, 0.0001242100000000 ] - [ 0.0001571800000000, -0.0000143900000000, 0.0000084100000000 ] - [ 0.0001571800000000, 0.0000143900000000, -0.0000084100000000 ] - [ 0.0003995800000000, -0.0000840000000000, -0.0000087100000000 ] - [ 0.0000494200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000487100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000761500000000, -0.0001101700000000, 0.0001364700000000 ] - [ 0.0000761500000000, 0.0001101700000000, -0.0001364700000000 ] - [ 0.0004817700000000, -0.0010925400000000, -0.0015134000000000 ] - [ 0.0000761300000000, 0.0000181000000000, 0.0000012700000000 ] - [ 0.0004273400000000, 0.0010805700000000, -0.0015203900000000 ] - [ 0.0003108200000000, -0.0002003800000000, 0.0002047000000000 ] - [ 0.0002528900000000, 0.0001531200000000, 0.0002263500000000 ]- atom: 58 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000136900000000, 0.0000159600000000, 0.0012090300000000 ] - [ 0.0002229000000000, 0.0004602900000000, 0.0000346500000000 ] - [ -0.0000155900000000, 0.0000085300000000, 0.0000696400000000 ] - [ 0.0000177000000000, -0.0000162100000000, -0.0013244000000000 ] - [ 0.0002473900000000, -0.0004348400000000, 0.0000336000000000 ] - [ 0.0000157000000000, -0.0000144000000000, -0.0000693100000000 ] - [ 0.0000155900000000, -0.0000085300000000, 0.0000696400000000 ] - [ -0.0000177000000000, 0.0000162100000000, -0.0013244000000000 ] - [ -0.0002473900000000, 0.0004348400000000, 0.0000336000000000 ] - [ -0.0000157000000000, 0.0000144000000000, -0.0000693100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001327300000000 ] - [ 0.0000136900000000, -0.0000159600000000, 0.0012090300000000 ] - [ -0.0002229000000000, -0.0004602900000000, 0.0000346500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001312200000000 ] - [ 0.0000144000000000, 0.0000157000000000, -0.0000693100000000 ] - [ 0.0004348400000000, 0.0002473900000000, 0.0000336000000000 ] - [ -0.0000162100000000, -0.0000177000000000, -0.0013244000000000 ] - [ -0.0000085300000000, -0.0000155900000000, 0.0000696400000000 ] - [ 0.0004602900000000, -0.0002229000000000, 0.0000346500000000 ] - [ 0.0000159600000000, 0.0000136900000000, 0.0012090300000000 ] - [ 0.0000162100000000, 0.0000177000000000, -0.0013244000000000 ] - [ 0.0000085300000000, 0.0000155900000000, 0.0000696400000000 ] - [ -0.0004602900000000, 0.0002229000000000, 0.0000346500000000 ] - [ -0.0000159600000000, -0.0000136900000000, 0.0012090300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001312200000000 ] - [ -0.0000144000000000, -0.0000157000000000, -0.0000693100000000 ] - [ -0.0004348400000000, -0.0002473900000000, 0.0000336000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001327300000000 ] - [ -0.0000746800000000, 0.0001959700000000, 0.0000173400000000 ] - [ -0.0001966000000000, -0.0000747500000000, 0.0000160100000000 ] - [ 0.0000746800000000, -0.0001959700000000, 0.0000173400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000012000000000 ] - [ 0.0001966000000000, 0.0000747500000000, 0.0000160100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0145227600000000 ] - [ -0.0000747500000000, 0.0001966000000000, 0.0000160100000000 ] - [ -0.0001959700000000, -0.0000746800000000, 0.0000173400000000 ] - [ 0.0000747500000000, -0.0001966000000000, 0.0000160100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0133908500000000 ] - [ 0.0001959700000000, 0.0000746800000000, 0.0000173400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000011500000000 ] - [ 0.0000082200000000, 0.0001370300000000, 0.0000005600000000 ] - [ 0.0000409700000000, -0.0000400700000000, 0.0000006800000000 ] - [ -0.0000881700000000, -0.0000570700000000, 0.0003429400000000 ] - [ -0.0000077300000000, 0.0001379500000000, 0.0000810400000000 ] - [ 0.0002086800000000, 0.0001561000000000, -0.0000180800000000 ] - [ -0.0000082200000000, -0.0001370300000000, 0.0000005600000000 ] - [ 0.0000077300000000, -0.0001379500000000, 0.0000810400000000 ] - [ -0.0036855400000000, -0.0038943600000000, 0.0029737200000000 ] - [ -0.0000601000000000, 0.0001039800000000, 0.0000003600000000 ] - [ -0.0036504400000000, 0.0038947400000000, 0.0029493200000000 ] - [ 0.0000934900000000, 0.0000554900000000, 0.0000004100000000 ] - [ 0.0036504400000000, -0.0038947400000000, 0.0029493200000000 ] - [ 0.0000790700000000, 0.0000208800000000, -0.0003268200000000 ] - [ 0.0000023300000000, 0.0001003100000000, -0.0000658700000000 ] - [ -0.0000329000000000, -0.0000866100000000, -0.0000197000000000 ] - [ -0.0002086800000000, -0.0001561000000000, -0.0000180800000000 ] - [ 0.0000329000000000, 0.0000866100000000, -0.0000197000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0525121900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009724200000000 ] - [ -0.0000023300000000, -0.0001003100000000, -0.0000658700000000 ] - [ -0.0000790700000000, -0.0000208800000000, -0.0003268200000000 ] - [ -0.0000409700000000, 0.0000400700000000, 0.0000006800000000 ] - [ 0.0036855400000000, 0.0038943600000000, 0.0029737200000000 ] - [ -0.0000934900000000, -0.0000554900000000, 0.0000004100000000 ] - [ 0.0000601000000000, -0.0001039800000000, 0.0000003600000000 ] - [ 0.0000881700000000, 0.0000570700000000, 0.0003429400000000 ] - [ -0.0000866100000000, 0.0000329000000000, -0.0000197000000000 ] - [ 0.0038943600000000, -0.0036855400000000, 0.0029737200000000 ] - [ -0.0001003100000000, 0.0000023300000000, -0.0000658700000000 ] - [ -0.0000208800000000, 0.0000790700000000, -0.0003268200000000 ] - [ 0.0001039800000000, 0.0000601000000000, 0.0000003600000000 ] - [ 0.0000866100000000, -0.0000329000000000, -0.0000197000000000 ] - [ 0.0000208800000000, -0.0000790700000000, -0.0003268200000000 ] - [ -0.0000400700000000, -0.0000409700000000, 0.0000006800000000 ] - [ -0.0001561000000000, 0.0002086800000000, -0.0000180800000000 ] - [ -0.0000554900000000, 0.0000934900000000, 0.0000004100000000 ] - [ 0.0038947400000000, 0.0036504400000000, 0.0029493200000000 ] - [ 0.0000554900000000, -0.0000934900000000, 0.0000004100000000 ] - [ 0.0001379500000000, 0.0000077300000000, 0.0000810400000000 ] - [ -0.0000570700000000, 0.0000881700000000, 0.0003429400000000 ] - [ -0.0001370300000000, 0.0000082200000000, 0.0000005600000000 ] - [ -0.0001039800000000, -0.0000601000000000, 0.0000003600000000 ] - [ 0.0001370300000000, -0.0000082200000000, 0.0000005600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001119500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001117000000000 ] - [ 0.0000570700000000, -0.0000881700000000, 0.0003429400000000 ] - [ -0.0001379500000000, -0.0000077300000000, 0.0000810400000000 ] - [ -0.0038943600000000, 0.0036855400000000, 0.0029737200000000 ] - [ 0.0000400700000000, 0.0000409700000000, 0.0000006800000000 ] - [ -0.0038947400000000, -0.0036504400000000, 0.0029493200000000 ] - [ 0.0001561000000000, -0.0002086800000000, -0.0000180800000000 ] - [ 0.0001003100000000, -0.0000023300000000, -0.0000658700000000 ]