# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/a5ee9e7e-8871-44ec-8101-b3c6ffe5a8b3/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 Na5LaO4 / Pbca (61) / materials id 780258](https://mdr.nims.go.jp/datasets/8755efcd-18a9-4c21-9dcc-5e96720747cf) ## 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: "Pbca" number: 61 Hall_symbol: "-P 2ac 2ab"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 11.024705220000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.900249349999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.976869620000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.835199170000000, 0.118239940000000, 0.114199070000000 ] mass: 22.989769 - symbol: Na # 2 coordinates: [ 0.664800830000000, 0.618239940000000, 0.114199070000000 ] mass: 22.989769 - symbol: Na # 3 coordinates: [ 0.140684480000000, 0.393971950000000, 0.100899710000000 ] mass: 22.989769 - symbol: Na # 4 coordinates: [ 0.359315520000000, 0.893971950000000, 0.100899710000000 ] mass: 22.989769 - symbol: Na # 5 coordinates: [ 0.402243000000000, 0.162493570000000, 0.113800830000000 ] mass: 22.989769 - symbol: Na # 6 coordinates: [ 0.097757000000000, 0.662493570000000, 0.113800830000000 ] mass: 22.989769 - symbol: Na # 7 coordinates: [ 0.613214850000000, 0.353321270000000, 0.135625870000000 ] mass: 22.989769 - symbol: Na # 8 coordinates: [ 0.886785150000000, 0.853321270000000, 0.135625870000000 ] mass: 22.989769 - symbol: Na # 9 coordinates: [ 0.880259150000000, 0.375818030000000, 0.147522650000000 ] mass: 22.989769 - symbol: Na # 10 coordinates: [ 0.619740850000000, 0.875818030000000, 0.147522650000000 ] mass: 22.989769 - symbol: Na # 11 coordinates: [ 0.119740850000000, 0.875818030000000, 0.352477350000000 ] mass: 22.989769 - symbol: Na # 12 coordinates: [ 0.380259150000000, 0.375818030000000, 0.352477350000000 ] mass: 22.989769 - symbol: Na # 13 coordinates: [ 0.113214850000000, 0.353321270000000, 0.364374130000000 ] mass: 22.989769 - symbol: Na # 14 coordinates: [ 0.386785150000000, 0.853321270000000, 0.364374130000000 ] mass: 22.989769 - symbol: Na # 15 coordinates: [ 0.597757000000000, 0.662493570000000, 0.386199170000000 ] mass: 22.989769 - symbol: Na # 16 coordinates: [ 0.902243000000000, 0.162493570000000, 0.386199170000000 ] mass: 22.989769 - symbol: Na # 17 coordinates: [ 0.640684480000000, 0.393971950000000, 0.399100290000000 ] mass: 22.989769 - symbol: Na # 18 coordinates: [ 0.859315520000000, 0.893971950000000, 0.399100290000000 ] mass: 22.989769 - symbol: Na # 19 coordinates: [ 0.164800830000000, 0.618239940000000, 0.385800930000000 ] mass: 22.989769 - symbol: Na # 20 coordinates: [ 0.335199170000000, 0.118239940000000, 0.385800930000000 ] mass: 22.989769 - symbol: Na # 21 coordinates: [ 0.835199170000000, 0.381760060000000, 0.614199070000000 ] mass: 22.989769 - symbol: Na # 22 coordinates: [ 0.664800830000000, 0.881760060000000, 0.614199070000000 ] mass: 22.989769 - symbol: Na # 23 coordinates: [ 0.140684480000000, 0.106028050000000, 0.600899710000000 ] mass: 22.989769 - symbol: Na # 24 coordinates: [ 0.359315520000000, 0.606028050000000, 0.600899710000000 ] mass: 22.989769 - symbol: Na # 25 coordinates: [ 0.402243000000000, 0.337506430000000, 0.613800830000000 ] mass: 22.989769 - symbol: Na # 26 coordinates: [ 0.097757000000000, 0.837506430000000, 0.613800830000000 ] mass: 22.989769 - symbol: Na # 27 coordinates: [ 0.613214850000000, 0.146678730000000, 0.635625870000000 ] mass: 22.989769 - symbol: Na # 28 coordinates: [ 0.886785150000000, 0.646678730000000, 0.635625870000000 ] mass: 22.989769 - symbol: Na # 29 coordinates: [ 0.619740850000000, 0.624181970000000, 0.647522650000000 ] mass: 22.989769 - symbol: Na # 30 coordinates: [ 0.880259150000000, 0.124181970000000, 0.647522650000000 ] mass: 22.989769 - symbol: Na # 31 coordinates: [ 0.119740850000000, 0.624181970000000, 0.852477350000000 ] mass: 22.989769 - symbol: Na # 32 coordinates: [ 0.380259150000000, 0.124181970000000, 0.852477350000000 ] mass: 22.989769 - symbol: Na # 33 coordinates: [ 0.113214850000000, 0.146678730000000, 0.864374130000000 ] mass: 22.989769 - symbol: Na # 34 coordinates: [ 0.386785150000000, 0.646678730000000, 0.864374130000000 ] mass: 22.989769 - symbol: Na # 35 coordinates: [ 0.597757000000000, 0.837506430000000, 0.886199170000000 ] mass: 22.989769 - symbol: Na # 36 coordinates: [ 0.902243000000000, 0.337506430000000, 0.886199170000000 ] mass: 22.989769 - symbol: Na # 37 coordinates: [ 0.640684480000000, 0.106028050000000, 0.899100290000000 ] mass: 22.989769 - symbol: Na # 38 coordinates: [ 0.859315520000000, 0.606028050000000, 0.899100290000000 ] mass: 22.989769 - symbol: Na # 39 coordinates: [ 0.164800830000000, 0.881760060000000, 0.885800930000000 ] mass: 22.989769 - symbol: Na # 40 coordinates: [ 0.335199170000000, 0.381760060000000, 0.885800930000000 ] mass: 22.989769 - symbol: La # 41 coordinates: [ 0.122902210000000, 0.105989450000000, 0.147130680000000 ] mass: 138.905470 - symbol: La # 42 coordinates: [ 0.377097790000000, 0.605989450000000, 0.147130680000000 ] mass: 138.905470 - symbol: La # 43 coordinates: [ 0.877097790000000, 0.605989450000000, 0.352869320000000 ] mass: 138.905470 - symbol: La # 44 coordinates: [ 0.622902210000000, 0.105989450000000, 0.352869320000000 ] mass: 138.905470 - symbol: La # 45 coordinates: [ 0.122902210000000, 0.394010550000000, 0.647130680000000 ] mass: 138.905470 - symbol: La # 46 coordinates: [ 0.377097790000000, 0.894010550000000, 0.647130680000000 ] mass: 138.905470 - symbol: La # 47 coordinates: [ 0.622902210000000, 0.394010550000000, 0.852869320000000 ] mass: 138.905470 - symbol: La # 48 coordinates: [ 0.877097790000000, 0.894010550000000, 0.852869320000000 ] mass: 138.905470 - symbol: O # 49 coordinates: [ 0.249214780000000, 0.037666130000000, 0.997125170000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.250785220000000, 0.537666130000000, 0.997125170000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.005783960000000, 0.233194860000000, 0.037078440000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.494216040000000, 0.733194860000000, 0.037078440000000 ] mass: 15.999400 - symbol: O # 53 coordinates: [ 0.975933070000000, 0.004878370000000, 0.255646520000000 ] mass: 15.999400 - symbol: O # 54 coordinates: [ 0.524066930000000, 0.504878370000000, 0.255646520000000 ] mass: 15.999400 - symbol: O # 55 coordinates: [ 0.243907070000000, 0.246601240000000, 0.240204380000000 ] mass: 15.999400 - symbol: O # 56 coordinates: [ 0.256092930000000, 0.746601240000000, 0.240204380000000 ] mass: 15.999400 - symbol: O # 57 coordinates: [ 0.743907070000000, 0.246601240000000, 0.259795620000000 ] mass: 15.999400 - symbol: O # 58 coordinates: [ 0.756092930000000, 0.746601240000000, 0.259795620000000 ] mass: 15.999400 - symbol: O # 59 coordinates: [ 0.024066930000000, 0.504878370000000, 0.244353480000000 ] mass: 15.999400 - symbol: O # 60 coordinates: [ 0.475933070000000, 0.004878370000000, 0.244353480000000 ] mass: 15.999400 - symbol: O # 61 coordinates: [ 0.505783960000000, 0.233194860000000, 0.462921560000000 ] mass: 15.999400 - symbol: O # 62 coordinates: [ 0.994216040000000, 0.733194860000000, 0.462921560000000 ] mass: 15.999400 - symbol: O # 63 coordinates: [ 0.750785220000000, 0.537666130000000, 0.502874830000000 ] mass: 15.999400 - symbol: O # 64 coordinates: [ 0.749214780000000, 0.037666130000000, 0.502874830000000 ] mass: 15.999400 - symbol: O # 65 coordinates: [ 0.250785220000000, 0.962333870000000, 0.497125170000000 ] mass: 15.999400 - symbol: O # 66 coordinates: [ 0.249214780000000, 0.462333870000000, 0.497125170000000 ] mass: 15.999400 - symbol: O # 67 coordinates: [ 0.005783960000000, 0.266805140000000, 0.537078440000000 ] mass: 15.999400 - symbol: O # 68 coordinates: [ 0.494216040000000, 0.766805140000000, 0.537078440000000 ] mass: 15.999400 - symbol: O # 69 coordinates: [ 0.524066930000000, 0.995121630000000, 0.755646520000000 ] mass: 15.999400 - symbol: O # 70 coordinates: [ 0.975933070000000, 0.495121630000000, 0.755646520000000 ] mass: 15.999400 - symbol: O # 71 coordinates: [ 0.243907070000000, 0.253398760000000, 0.740204380000000 ] mass: 15.999400 - symbol: O # 72 coordinates: [ 0.256092930000000, 0.753398760000000, 0.740204380000000 ] mass: 15.999400 - symbol: O # 73 coordinates: [ 0.743907070000000, 0.253398760000000, 0.759795620000000 ] mass: 15.999400 - symbol: O # 74 coordinates: [ 0.756092930000000, 0.753398760000000, 0.759795620000000 ] mass: 15.999400 - symbol: O # 75 coordinates: [ 0.024066930000000, 0.995121630000000, 0.744353480000000 ] mass: 15.999400 - symbol: O # 76 coordinates: [ 0.475933070000000, 0.495121630000000, 0.744353480000000 ] mass: 15.999400 - symbol: O # 77 coordinates: [ 0.994216040000000, 0.766805140000000, 0.962921560000000 ] mass: 15.999400 - symbol: O # 78 coordinates: [ 0.505783960000000, 0.266805140000000, 0.962921560000000 ] mass: 15.999400 - symbol: O # 79 coordinates: [ 0.750785220000000, 0.962333870000000, 0.002874830000000 ] mass: 15.999400 - symbol: O # 80 coordinates: [ 0.749214780000000, 0.462333870000000, 0.002874830000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.090705373073004, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.091741020585002, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.091100653885693 ] # c*unit_cell: lattice: - [ 11.024705220000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.900249349999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.976869620000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.835199170000000, 0.118239940000000, 0.114199070000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.664800830000000, 0.618239940000000, 0.114199070000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.140684480000000, 0.393971950000000, 0.100899710000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 4 coordinates: [ 0.359315520000000, 0.893971950000000, 0.100899710000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 5 coordinates: [ 0.402243000000000, 0.162493570000000, 0.113800830000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.097757000000000, 0.662493570000000, 0.113800830000000 ] mass: 22.989769 reduced_to: 6 - symbol: Na # 7 coordinates: [ 0.613214850000000, 0.353321270000000, 0.135625870000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.886785150000000, 0.853321270000000, 0.135625870000000 ] mass: 22.989769 reduced_to: 8 - symbol: Na # 9 coordinates: [ 0.880259150000000, 0.375818030000000, 0.147522650000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 10 coordinates: [ 0.619740850000000, 0.875818030000000, 0.147522650000000 ] mass: 22.989769 reduced_to: 10 - symbol: Na # 11 coordinates: [ 0.119740850000000, 0.875818030000000, 0.352477350000000 ] mass: 22.989769 reduced_to: 11 - symbol: Na # 12 coordinates: [ 0.380259150000000, 0.375818030000000, 0.352477350000000 ] mass: 22.989769 reduced_to: 12 - symbol: Na # 13 coordinates: [ 0.113214850000000, 0.353321270000000, 0.364374130000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 14 coordinates: [ 0.386785150000000, 0.853321270000000, 0.364374130000000 ] mass: 22.989769 reduced_to: 14 - symbol: Na # 15 coordinates: [ 0.597757000000000, 0.662493570000000, 0.386199170000000 ] mass: 22.989769 reduced_to: 15 - symbol: Na # 16 coordinates: [ 0.902243000000000, 0.162493570000000, 0.386199170000000 ] mass: 22.989769 reduced_to: 16 - symbol: Na # 17 coordinates: [ 0.640684480000000, 0.393971950000000, 0.399100290000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 18 coordinates: [ 0.859315520000000, 0.893971950000000, 0.399100290000000 ] mass: 22.989769 reduced_to: 18 - symbol: Na # 19 coordinates: [ 0.164800830000000, 0.618239940000000, 0.385800930000000 ] mass: 22.989769 reduced_to: 19 - symbol: Na # 20 coordinates: [ 0.335199170000000, 0.118239940000000, 0.385800930000000 ] mass: 22.989769 reduced_to: 20 - symbol: Na # 21 coordinates: [ 0.835199170000000, 0.381760060000000, 0.614199070000000 ] mass: 22.989769 reduced_to: 21 - symbol: Na # 22 coordinates: [ 0.664800830000000, 0.881760060000000, 0.614199070000000 ] mass: 22.989769 reduced_to: 22 - symbol: Na # 23 coordinates: [ 0.140684480000000, 0.106028050000000, 0.600899710000000 ] mass: 22.989769 reduced_to: 23 - symbol: Na # 24 coordinates: [ 0.359315520000000, 0.606028050000000, 0.600899710000000 ] mass: 22.989769 reduced_to: 24 - symbol: Na # 25 coordinates: [ 0.402243000000000, 0.337506430000000, 0.613800830000000 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 26 coordinates: [ 0.097757000000000, 0.837506430000000, 0.613800830000000 ] mass: 22.989769 reduced_to: 26 - symbol: Na # 27 coordinates: [ 0.613214850000000, 0.146678730000000, 0.635625870000000 ] mass: 22.989769 reduced_to: 27 - symbol: Na # 28 coordinates: [ 0.886785150000000, 0.646678730000000, 0.635625870000000 ] mass: 22.989769 reduced_to: 28 - symbol: Na # 29 coordinates: [ 0.619740850000000, 0.624181970000000, 0.647522650000000 ] mass: 22.989769 reduced_to: 29 - symbol: Na # 30 coordinates: [ 0.880259150000000, 0.124181970000000, 0.647522650000000 ] mass: 22.989769 reduced_to: 30 - symbol: Na # 31 coordinates: [ 0.119740850000000, 0.624181970000000, 0.852477350000000 ] mass: 22.989769 reduced_to: 31 - symbol: Na # 32 coordinates: [ 0.380259150000000, 0.124181970000000, 0.852477350000000 ] mass: 22.989769 reduced_to: 32 - symbol: Na # 33 coordinates: [ 0.113214850000000, 0.146678730000000, 0.864374130000000 ] mass: 22.989769 reduced_to: 33 - symbol: Na # 34 coordinates: [ 0.386785150000000, 0.646678730000000, 0.864374130000000 ] mass: 22.989769 reduced_to: 34 - symbol: Na # 35 coordinates: [ 0.597757000000000, 0.837506430000000, 0.886199170000000 ] mass: 22.989769 reduced_to: 35 - symbol: Na # 36 coordinates: [ 0.902243000000000, 0.337506430000000, 0.886199170000000 ] mass: 22.989769 reduced_to: 36 - symbol: Na # 37 coordinates: [ 0.640684480000000, 0.106028050000000, 0.899100290000000 ] mass: 22.989769 reduced_to: 37 - symbol: Na # 38 coordinates: [ 0.859315520000000, 0.606028050000000, 0.899100290000000 ] mass: 22.989769 reduced_to: 38 - symbol: Na # 39 coordinates: [ 0.164800830000000, 0.881760060000000, 0.885800930000000 ] mass: 22.989769 reduced_to: 39 - symbol: Na # 40 coordinates: [ 0.335199170000000, 0.381760060000000, 0.885800930000000 ] mass: 22.989769 reduced_to: 40 - symbol: La # 41 coordinates: [ 0.122902210000000, 0.105989450000000, 0.147130680000000 ] mass: 138.905470 reduced_to: 41 - symbol: La # 42 coordinates: [ 0.377097790000000, 0.605989450000000, 0.147130680000000 ] mass: 138.905470 reduced_to: 42 - symbol: La # 43 coordinates: [ 0.877097790000000, 0.605989450000000, 0.352869320000000 ] mass: 138.905470 reduced_to: 43 - symbol: La # 44 coordinates: [ 0.622902210000000, 0.105989450000000, 0.352869320000000 ] mass: 138.905470 reduced_to: 44 - symbol: La # 45 coordinates: [ 0.122902210000000, 0.394010550000000, 0.647130680000000 ] mass: 138.905470 reduced_to: 45 - symbol: La # 46 coordinates: [ 0.377097790000000, 0.894010550000000, 0.647130680000000 ] mass: 138.905470 reduced_to: 46 - symbol: La # 47 coordinates: [ 0.622902210000000, 0.394010550000000, 0.852869320000000 ] mass: 138.905470 reduced_to: 47 - symbol: La # 48 coordinates: [ 0.877097790000000, 0.894010550000000, 0.852869320000000 ] mass: 138.905470 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.249214780000000, 0.037666130000000, 0.997125170000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.250785220000000, 0.537666130000000, 0.997125170000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.005783960000000, 0.233194860000000, 0.037078440000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.494216040000000, 0.733194860000000, 0.037078440000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.975933070000000, 0.004878370000000, 0.255646520000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.524066930000000, 0.504878370000000, 0.255646520000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.243907070000000, 0.246601240000000, 0.240204380000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.256092930000000, 0.746601240000000, 0.240204380000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.743907070000000, 0.246601240000000, 0.259795620000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.756092930000000, 0.746601240000000, 0.259795620000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.024066930000000, 0.504878370000000, 0.244353480000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.475933070000000, 0.004878370000000, 0.244353480000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.505783960000000, 0.233194860000000, 0.462921560000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.994216040000000, 0.733194860000000, 0.462921560000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.750785220000000, 0.537666130000000, 0.502874830000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.749214780000000, 0.037666130000000, 0.502874830000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.250785220000000, 0.962333870000000, 0.497125170000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.249214780000000, 0.462333870000000, 0.497125170000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.005783960000000, 0.266805140000000, 0.537078440000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.494216040000000, 0.766805140000000, 0.537078440000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.524066930000000, 0.995121630000000, 0.755646520000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.975933070000000, 0.495121630000000, 0.755646520000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.243907070000000, 0.253398760000000, 0.740204380000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.256092930000000, 0.753398760000000, 0.740204380000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.743907070000000, 0.253398760000000, 0.759795620000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.756092930000000, 0.753398760000000, 0.759795620000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.024066930000000, 0.995121630000000, 0.744353480000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.475933070000000, 0.495121630000000, 0.744353480000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.994216040000000, 0.766805140000000, 0.962921560000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.505783960000000, 0.266805140000000, 0.962921560000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.750785220000000, 0.962333870000000, 0.002874830000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.749214780000000, 0.462333870000000, 0.002874830000000 ] mass: 15.999400 reduced_to: 80supercell: lattice: - [ 11.024705220000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.900249349999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.976869620000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.835199170000000, 0.118239940000000, 0.114199070000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.664800830000000, 0.618239940000000, 0.114199070000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.140684480000000, 0.393971950000000, 0.100899710000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 4 coordinates: [ 0.359315520000000, 0.893971950000000, 0.100899710000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 5 coordinates: [ 0.402243000000000, 0.162493570000000, 0.113800830000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.097757000000000, 0.662493570000000, 0.113800830000000 ] mass: 22.989769 reduced_to: 6 - symbol: Na # 7 coordinates: [ 0.613214850000000, 0.353321270000000, 0.135625870000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.886785150000000, 0.853321270000000, 0.135625870000000 ] mass: 22.989769 reduced_to: 8 - symbol: Na # 9 coordinates: [ 0.880259150000000, 0.375818030000000, 0.147522650000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 10 coordinates: [ 0.619740850000000, 0.875818030000000, 0.147522650000000 ] mass: 22.989769 reduced_to: 10 - symbol: Na # 11 coordinates: [ 0.119740850000000, 0.875818030000000, 0.352477350000000 ] mass: 22.989769 reduced_to: 11 - symbol: Na # 12 coordinates: [ 0.380259150000000, 0.375818030000000, 0.352477350000000 ] mass: 22.989769 reduced_to: 12 - symbol: Na # 13 coordinates: [ 0.113214850000000, 0.353321270000000, 0.364374130000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 14 coordinates: [ 0.386785150000000, 0.853321270000000, 0.364374130000000 ] mass: 22.989769 reduced_to: 14 - symbol: Na # 15 coordinates: [ 0.597757000000000, 0.662493570000000, 0.386199170000000 ] mass: 22.989769 reduced_to: 15 - symbol: Na # 16 coordinates: [ 0.902243000000000, 0.162493570000000, 0.386199170000000 ] mass: 22.989769 reduced_to: 16 - symbol: Na # 17 coordinates: [ 0.640684480000000, 0.393971950000000, 0.399100290000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 18 coordinates: [ 0.859315520000000, 0.893971950000000, 0.399100290000000 ] mass: 22.989769 reduced_to: 18 - symbol: Na # 19 coordinates: [ 0.164800830000000, 0.618239940000000, 0.385800930000000 ] mass: 22.989769 reduced_to: 19 - symbol: Na # 20 coordinates: [ 0.335199170000000, 0.118239940000000, 0.385800930000000 ] mass: 22.989769 reduced_to: 20 - symbol: Na # 21 coordinates: [ 0.835199170000000, 0.381760060000000, 0.614199070000000 ] mass: 22.989769 reduced_to: 21 - symbol: Na # 22 coordinates: [ 0.664800830000000, 0.881760060000000, 0.614199070000000 ] mass: 22.989769 reduced_to: 22 - symbol: Na # 23 coordinates: [ 0.140684480000000, 0.106028050000000, 0.600899710000000 ] mass: 22.989769 reduced_to: 23 - symbol: Na # 24 coordinates: [ 0.359315520000000, 0.606028050000000, 0.600899710000000 ] mass: 22.989769 reduced_to: 24 - symbol: Na # 25 coordinates: [ 0.402243000000000, 0.337506430000000, 0.613800830000000 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 26 coordinates: [ 0.097757000000000, 0.837506430000000, 0.613800830000000 ] mass: 22.989769 reduced_to: 26 - symbol: Na # 27 coordinates: [ 0.613214850000000, 0.146678730000000, 0.635625870000000 ] mass: 22.989769 reduced_to: 27 - symbol: Na # 28 coordinates: [ 0.886785150000000, 0.646678730000000, 0.635625870000000 ] mass: 22.989769 reduced_to: 28 - symbol: Na # 29 coordinates: [ 0.619740850000000, 0.624181970000000, 0.647522650000000 ] mass: 22.989769 reduced_to: 29 - symbol: Na # 30 coordinates: [ 0.880259150000000, 0.124181970000000, 0.647522650000000 ] mass: 22.989769 reduced_to: 30 - symbol: Na # 31 coordinates: [ 0.119740850000000, 0.624181970000000, 0.852477350000000 ] mass: 22.989769 reduced_to: 31 - symbol: Na # 32 coordinates: [ 0.380259150000000, 0.124181970000000, 0.852477350000000 ] mass: 22.989769 reduced_to: 32 - symbol: Na # 33 coordinates: [ 0.113214850000000, 0.146678730000000, 0.864374130000000 ] mass: 22.989769 reduced_to: 33 - symbol: Na # 34 coordinates: [ 0.386785150000000, 0.646678730000000, 0.864374130000000 ] mass: 22.989769 reduced_to: 34 - symbol: Na # 35 coordinates: [ 0.597757000000000, 0.837506430000000, 0.886199170000000 ] mass: 22.989769 reduced_to: 35 - symbol: Na # 36 coordinates: [ 0.902243000000000, 0.337506430000000, 0.886199170000000 ] mass: 22.989769 reduced_to: 36 - symbol: Na # 37 coordinates: [ 0.640684480000000, 0.106028050000000, 0.899100290000000 ] mass: 22.989769 reduced_to: 37 - symbol: Na # 38 coordinates: [ 0.859315520000000, 0.606028050000000, 0.899100290000000 ] mass: 22.989769 reduced_to: 38 - symbol: Na # 39 coordinates: [ 0.164800830000000, 0.881760060000000, 0.885800930000000 ] mass: 22.989769 reduced_to: 39 - symbol: Na # 40 coordinates: [ 0.335199170000000, 0.381760060000000, 0.885800930000000 ] mass: 22.989769 reduced_to: 40 - symbol: La # 41 coordinates: [ 0.122902210000000, 0.105989450000000, 0.147130680000000 ] mass: 138.905470 reduced_to: 41 - symbol: La # 42 coordinates: [ 0.377097790000000, 0.605989450000000, 0.147130680000000 ] mass: 138.905470 reduced_to: 42 - symbol: La # 43 coordinates: [ 0.877097790000000, 0.605989450000000, 0.352869320000000 ] mass: 138.905470 reduced_to: 43 - symbol: La # 44 coordinates: [ 0.622902210000000, 0.105989450000000, 0.352869320000000 ] mass: 138.905470 reduced_to: 44 - symbol: La # 45 coordinates: [ 0.122902210000000, 0.394010550000000, 0.647130680000000 ] mass: 138.905470 reduced_to: 45 - symbol: La # 46 coordinates: [ 0.377097790000000, 0.894010550000000, 0.647130680000000 ] mass: 138.905470 reduced_to: 46 - symbol: La # 47 coordinates: [ 0.622902210000000, 0.394010550000000, 0.852869320000000 ] mass: 138.905470 reduced_to: 47 - symbol: La # 48 coordinates: [ 0.877097790000000, 0.894010550000000, 0.852869320000000 ] mass: 138.905470 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.249214780000000, 0.037666130000000, 0.997125170000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.250785220000000, 0.537666130000000, 0.997125170000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.005783960000000, 0.233194860000000, 0.037078440000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.494216040000000, 0.733194860000000, 0.037078440000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.975933070000000, 0.004878370000000, 0.255646520000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.524066930000000, 0.504878370000000, 0.255646520000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.243907070000000, 0.246601240000000, 0.240204380000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.256092930000000, 0.746601240000000, 0.240204380000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.743907070000000, 0.246601240000000, 0.259795620000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.756092930000000, 0.746601240000000, 0.259795620000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.024066930000000, 0.504878370000000, 0.244353480000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.475933070000000, 0.004878370000000, 0.244353480000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.505783960000000, 0.233194860000000, 0.462921560000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.994216040000000, 0.733194860000000, 0.462921560000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.750785220000000, 0.537666130000000, 0.502874830000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.749214780000000, 0.037666130000000, 0.502874830000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.250785220000000, 0.962333870000000, 0.497125170000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.249214780000000, 0.462333870000000, 0.497125170000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.005783960000000, 0.266805140000000, 0.537078440000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.494216040000000, 0.766805140000000, 0.537078440000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.524066930000000, 0.995121630000000, 0.755646520000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.975933070000000, 0.495121630000000, 0.755646520000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.243907070000000, 0.253398760000000, 0.740204380000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.256092930000000, 0.753398760000000, 0.740204380000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.743907070000000, 0.253398760000000, 0.759795620000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.756092930000000, 0.753398760000000, 0.759795620000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.024066930000000, 0.995121630000000, 0.744353480000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.475933070000000, 0.495121630000000, 0.744353480000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.994216040000000, 0.766805140000000, 0.962921560000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.505783960000000, 0.266805140000000, 0.962921560000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.750785220000000, 0.962333870000000, 0.002874830000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.749214780000000, 0.462333870000000, 0.002874830000000 ] mass: 15.999400 reduced_to: 80displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0371585000000000, -0.0057389700000000, 0.0005178800000000 ] - [ -0.0000792800000000, -0.0004012900000000, 0.0001618900000000 ] - [ 0.0003350900000000, 0.0007530400000000, -0.0001487600000000 ] - [ 0.0007196700000000, -0.0000656500000000, -0.0000049000000000 ] - [ 0.0012188500000000, -0.0001706700000000, -0.0000999200000000 ] - [ 0.0001396500000000, -0.0002035600000000, -0.0001131400000000 ] - [ 0.0014174600000000, -0.0024268900000000, -0.0004082900000000 ] - [ -0.0018731200000000, -0.0023169100000000, -0.0000382100000000 ] - [ -0.0024612300000000, 0.0021131800000000, 0.0006635500000000 ] - [ 0.0011862500000000, 0.0020991600000000, 0.0000516100000000 ] - [ 0.0004833600000000, -0.0004715400000000, 0.0001197900000000 ] - [ 0.0003625300000000, -0.0000056600000000, -0.0000609300000000 ] - [ -0.0000420400000000, 0.0001699900000000, 0.0004411700000000 ] - [ 0.0003228200000000, -0.0000336700000000, -0.0000645500000000 ] - [ 0.0001013400000000, -0.0001080700000000, 0.0000244800000000 ] - [ -0.0014743000000000, 0.0005142700000000, 0.0021501800000000 ] - [ 0.0000338500000000, -0.0003022900000000, 0.0000079700000000 ] - [ -0.0005724000000000, -0.0001206400000000, 0.0004705400000000 ] - [ -0.0000515400000000, -0.0003779000000000, -0.0001665800000000 ] - [ 0.0007651900000000, -0.0005318100000000, -0.0000394600000000 ] - [ -0.0001613100000000, 0.0002894900000000, 0.0001217300000000 ] - [ -0.0001050000000000, 0.0004818700000000, 0.0002399800000000 ] - [ -0.0000578900000000, -0.0000115700000000, -0.0000871200000000 ] - [ 0.0002811000000000, -0.0000514400000000, -0.0001524000000000 ] - [ 0.0001757700000000, 0.0000740900000000, -0.0000615100000000 ] - [ 0.0000985500000000, 0.0000584000000000, 0.0000747500000000 ] - [ 0.0000225500000000, 0.0002395300000000, -0.0000378500000000 ] - [ -0.0001212800000000, 0.0002249300000000, 0.0000456200000000 ] - [ 0.0000877200000000, -0.0000030600000000, 0.0002892200000000 ] - [ -0.0004534400000000, 0.0000314500000000, 0.0002196500000000 ] - [ 0.0001226300000000, 0.0001135500000000, -0.0003045300000000 ] - [ 0.0004996800000000, 0.0002501900000000, -0.0003151300000000 ] - [ 0.0006257200000000, 0.0001394200000000, -0.0010761500000000 ] - [ 0.0001837600000000, 0.0001245200000000, -0.0000418300000000 ] - [ 0.0003542200000000, 0.0003761400000000, 0.0002688800000000 ] - [ -0.0010875200000000, 0.0007327700000000, -0.0006726000000000 ] - [ 0.0020711900000000, 0.0004977500000000, 0.0042599700000000 ] - [ -0.0001396400000000, 0.0000745600000000, 0.0002026800000000 ] - [ -0.0000959000000000, 0.0000431600000000, -0.0005150300000000 ] - [ 0.0006207400000000, 0.0004180100000000, -0.0003154600000000 ] - [ 0.0191726400000000, -0.0013232700000000, 0.0021069000000000 ] - [ 0.0007681200000000, -0.0008238400000000, 0.0000754200000000 ] - [ -0.0011500800000000, -0.0011721000000000, 0.0000554900000000 ] - [ 0.0038429300000000, -0.0002439000000000, -0.0069586900000000 ] - [ 0.0002503000000000, 0.0010263800000000, -0.0001246500000000 ] - [ 0.0006125800000000, 0.0009175600000000, 0.0000684700000000 ] - [ -0.0000099800000000, -0.0002952400000000, 0.0008928400000000 ] - [ -0.0030634700000000, 0.0002394900000000, -0.0002669700000000 ] - [ -0.0022308000000000, 0.0010835800000000, 0.0015548200000000 ] - [ -0.0005284200000000, -0.0001466500000000, -0.0001762900000000 ] - [ 0.0045789800000000, 0.0017847600000000, -0.0011513000000000 ] - [ -0.0003628900000000, -0.0000126700000000, -0.0001293100000000 ] - [ 0.0026729100000000, 0.0010234900000000, -0.0015183900000000 ] - [ -0.0006492700000000, 0.0002460400000000, -0.0000232800000000 ] - [ -0.0019606600000000, -0.0017552000000000, -0.0013786200000000 ] - [ -0.0008916000000000, 0.0003497700000000, -0.0000524000000000 ] - [ 0.0060511500000000, -0.0020648600000000, -0.0011577500000000 ] - [ 0.0004463900000000, -0.0003614400000000, 0.0004148400000000 ] - [ 0.0004560300000000, -0.0008723300000000, -0.0005685000000000 ] - [ -0.0020154900000000, -0.0007286400000000, 0.0003746100000000 ] - [ -0.0013259700000000, 0.0011868400000000, 0.0008355200000000 ] - [ 0.0004595300000000, 0.0008016800000000, 0.0000036400000000 ] - [ 0.0003296400000000, 0.0005597100000000, 0.0001121800000000 ] - [ 0.0011995800000000, -0.0004486500000000, 0.0008598200000000 ] - [ -0.0006850200000000, -0.0000285000000000, -0.0005546100000000 ] - [ -0.0002957500000000, -0.0002799700000000, -0.0003207400000000 ] - [ 0.0001939500000000, -0.0005185700000000, -0.0004489700000000 ] - [ -0.0000640800000000, -0.0002843500000000, -0.0000743300000000 ] - [ -0.0007258900000000, -0.0001979100000000, -0.0003132400000000 ] - [ 0.0003442600000000, -0.0000692200000000, 0.0002676700000000 ] - [ -0.0002617500000000, -0.0001352400000000, 0.0003010100000000 ] - [ -0.0004835800000000, 0.0000195300000000, 0.0000873100000000 ] - [ 0.0008809900000000, 0.0002823800000000, -0.0004213000000000 ] - [ -0.0002168900000000, -0.0001717500000000, -0.0000985700000000 ] - [ 0.0007484200000000, 0.0010582500000000, 0.0002310000000000 ] - [ -0.0003504700000000, 0.0004371000000000, -0.0002340200000000 ] - [ 0.0010106300000000, -0.0002239400000000, 0.0010489100000000 ] - [ -0.0017036900000000, 0.0008659000000000, -0.0009216500000000 ] - [ 0.0078939500000000, 0.0032833100000000, 0.0020538100000000 ] - [ 0.0007674800000000, 0.0005146000000000, -0.0000578700000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0367668900000000, 0.0048748600000000, -0.0000688500000000 ] - [ -0.0001486500000000, -0.0003561100000000, 0.0002961800000000 ] - [ -0.0006251700000000, -0.0006905000000000, -0.0002302400000000 ] - [ -0.0004300300000000, 0.0001226000000000, -0.0003698000000000 ] - [ -0.0014032300000000, -0.0000584000000000, 0.0000114400000000 ] - [ 0.0000402000000000, -0.0000266700000000, 0.0000245600000000 ] - [ -0.0014790200000000, 0.0020845400000000, 0.0004272800000000 ] - [ 0.0019125200000000, 0.0019783900000000, 0.0000498000000000 ] - [ 0.0022743200000000, -0.0022248200000000, -0.0001754100000000 ] - [ -0.0010159700000000, -0.0022020000000000, 0.0004429000000000 ] - [ -0.0003128400000000, 0.0003946800000000, -0.0006141500000000 ] - [ -0.0005335200000000, -0.0000693800000000, -0.0004332500000000 ] - [ -0.0000184300000000, -0.0005370600000000, -0.0004500800000000 ] - [ -0.0002627500000000, -0.0003377100000000, 0.0000543900000000 ] - [ 0.0000798300000000, -0.0001226400000000, 0.0000651000000000 ] - [ 0.0012799200000000, -0.0007488500000000, -0.0020754100000000 ] - [ -0.0003193100000000, 0.0003621100000000, 0.0003660400000000 ] - [ 0.0008639700000000, 0.0001851800000000, -0.0001007100000000 ] - [ -0.0001793100000000, -0.0003806000000000, -0.0002914400000000 ] - [ -0.0005350900000000, -0.0002276200000000, -0.0004156100000000 ] - [ 0.0003934500000000, 0.0004696300000000, 0.0003349100000000 ] - [ -0.0001237900000000, 0.0002764600000000, 0.0002180500000000 ] - [ -0.0002313000000000, -0.0000500300000000, -0.0002883900000000 ] - [ 0.0000083700000000, -0.0000087400000000, -0.0002231700000000 ] - [ -0.0003547200000000, 0.0001560700000000, -0.0000281000000000 ] - [ 0.0000810900000000, 0.0001717400000000, -0.0001641000000000 ] - [ -0.0000810000000000, 0.0001298100000000, 0.0000485200000000 ] - [ 0.0001812600000000, 0.0001443100000000, -0.0000347600000000 ] - [ 0.0000869700000000, 0.0000807000000000, 0.0002056700000000 ] - [ 0.0002828900000000, 0.0000450400000000, 0.0002758900000000 ] - [ 0.0000463800000000, -0.0000340600000000, -0.0001905700000000 ] - [ -0.0006705900000000, -0.0001709100000000, -0.0001830600000000 ] - [ -0.0006811300000000, 0.0002325300000000, 0.0010593000000000 ] - [ -0.0001245200000000, 0.0002426600000000, 0.0000293900000000 ] - [ -0.0001702200000000, -0.0001461100000000, -0.0001788600000000 ] - [ 0.0009060200000000, -0.0005101400000000, 0.0007710300000000 ] - [ -0.0023612500000000, -0.0005651400000000, -0.0039278200000000 ] - [ 0.0004294500000000, -0.0001352400000000, 0.0001720600000000 ] - [ -0.0001348300000000, 0.0007128500000000, 0.0000541900000000 ] - [ -0.0003937400000000, 0.0003414200000000, -0.0001437000000000 ] - [ -0.0187112300000000, -0.0003324700000000, -0.0019018900000000 ] - [ -0.0009882000000000, -0.0008369100000000, 0.0000957300000000 ] - [ 0.0009248300000000, -0.0004989100000000, -0.0002316100000000 ] - [ -0.0036089100000000, -0.0014074400000000, 0.0068463900000000 ] - [ -0.0000339200000000, 0.0006375700000000, 0.0003025900000000 ] - [ -0.0008382500000000, 0.0007409200000000, 0.0001083100000000 ] - [ 0.0002495700000000, 0.0019750100000000, -0.0010718800000000 ] - [ 0.0028214100000000, 0.0014397500000000, 0.0001093100000000 ] - [ 0.0021880600000000, -0.0007006700000000, -0.0018824400000000 ] - [ 0.0005669200000000, 0.0005259700000000, -0.0001683200000000 ] - [ -0.0045365600000000, -0.0009890800000000, 0.0006278900000000 ] - [ 0.0006695000000000, 0.0005819400000000, -0.0002439200000000 ] - [ -0.0024113700000000, -0.0014190500000000, 0.0016590800000000 ] - [ 0.0005229700000000, -0.0005688400000000, 0.0000630800000000 ] - [ 0.0024757400000000, 0.0017112400000000, 0.0012263900000000 ] - [ 0.0003706300000000, -0.0003700500000000, -0.0000905700000000 ] - [ -0.0055841600000000, 0.0021316200000000, 0.0014199800000000 ] - [ -0.0009738300000000, 0.0003374200000000, -0.0002704100000000 ] - [ -0.0005750200000000, 0.0005497300000000, 0.0005290800000000 ] - [ 0.0021470700000000, 0.0004134000000000, -0.0004307000000000 ] - [ 0.0010146500000000, -0.0006238700000000, -0.0004615800000000 ] - [ -0.0001459100000000, -0.0002326100000000, 0.0003757100000000 ] - [ -0.0002945800000000, -0.0001782800000000, 0.0002330700000000 ] - [ -0.0012398000000000, 0.0008293200000000, -0.0005163100000000 ] - [ 0.0007235300000000, -0.0003502200000000, 0.0002079400000000 ] - [ 0.0002645100000000, -0.0000986100000000, -0.0000281400000000 ] - [ -0.0005010600000000, -0.0000509900000000, 0.0000721900000000 ] - [ 0.0003736000000000, -0.0002845300000000, -0.0003040900000000 ] - [ 0.0005998500000000, 0.0005229100000000, 0.0003563100000000 ] - [ -0.0002195200000000, 0.0003902000000000, -0.0002298900000000 ] - [ 0.0007894000000000, 0.0001565600000000, -0.0004443200000000 ] - [ -0.0000372400000000, 0.0000046500000000, -0.0002315600000000 ] - [ -0.0003631700000000, -0.0002567600000000, 0.0005620500000000 ] - [ -0.0003084800000000, 0.0001909300000000, 0.0002375600000000 ] - [ -0.0008623000000000, -0.0007314600000000, -0.0002735700000000 ] - [ 0.0004739000000000, -0.0001165600000000, 0.0001938800000000 ] - [ -0.0006915700000000, -0.0003473100000000, -0.0006679000000000 ] - [ 0.0014004100000000, -0.0014546900000000, 0.0013168600000000 ] - [ -0.0078847500000000, -0.0037996700000000, -0.0018112000000000 ] - [ -0.0008098300000000, -0.0008930000000000, 0.0003976600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0050914300000000, -0.0411487400000000, -0.0124751700000000 ] - [ -0.0000944400000000, 0.0003707900000000, 0.0003927500000000 ] - [ 0.0003981500000000, 0.0003535100000000, -0.0001149900000000 ] - [ 0.0002730900000000, 0.0000034800000000, -0.0002423200000000 ] - [ -0.0002140800000000, -0.0003910000000000, -0.0000402000000000 ] - [ -0.0000898600000000, 0.0003328600000000, -0.0001811700000000 ] - [ -0.0022367300000000, 0.0013519500000000, 0.0004023900000000 ] - [ -0.0020142100000000, 0.0084816000000000, -0.0008158300000000 ] - [ 0.0023233700000000, 0.0097993200000000, 0.0020099900000000 ] - [ 0.0022005000000000, 0.0015412900000000, -0.0001265800000000 ] - [ -0.0002589200000000, 0.0002070200000000, -0.0003583200000000 ] - [ -0.0002038700000000, -0.0000064000000000, -0.0002118500000000 ] - [ 0.0002331500000000, -0.0001999300000000, 0.0002251500000000 ] - [ -0.0000064400000000, -0.0001992600000000, 0.0000076500000000 ] - [ 0.0002103800000000, 0.0000818900000000, -0.0000132800000000 ] - [ 0.0005154100000000, -0.0016165200000000, 0.0014250300000000 ] - [ -0.0003783800000000, 0.0003889400000000, 0.0005290400000000 ] - [ 0.0001954200000000, 0.0004444000000000, -0.0008958300000000 ] - [ -0.0001158900000000, -0.0002181200000000, -0.0001757500000000 ] - [ -0.0000367600000000, -0.0005004700000000, -0.0002074700000000 ] - [ 0.0002057900000000, 0.0005244000000000, 0.0002311600000000 ] - [ -0.0000126900000000, 0.0002775100000000, 0.0004432600000000 ] - [ -0.0002300700000000, -0.0002631700000000, -0.0002724500000000 ] - [ 0.0001186300000000, 0.0001131000000000, -0.0001949800000000 ] - [ -0.0001579800000000, 0.0001030700000000, -0.0000885400000000 ] - [ -0.0000304000000000, 0.0002202600000000, 0.0000175300000000 ] - [ -0.0000859200000000, -0.0000481800000000, 0.0001096500000000 ] - [ 0.0000011300000000, 0.0004369900000000, 0.0000968700000000 ] - [ 0.0001800400000000, 0.0002810500000000, 0.0002624900000000 ] - [ 0.0000367300000000, -0.0003327500000000, 0.0003128100000000 ] - [ -0.0000368400000000, 0.0003615800000000, -0.0001898300000000 ] - [ -0.0000448500000000, -0.0002323400000000, -0.0003059700000000 ] - [ 0.0000247800000000, -0.0003150200000000, -0.0002382000000000 ] - [ 0.0000138000000000, 0.0003643500000000, -0.0000003900000000 ] - [ 0.0005345200000000, 0.0005341200000000, 0.0003293500000000 ] - [ 0.0006959100000000, 0.0013728500000000, -0.0021375200000000 ] - [ -0.0000692300000000, -0.0017613200000000, 0.0002190600000000 ] - [ 0.0003441200000000, 0.0007212000000000, 0.0000502800000000 ] - [ -0.0004493900000000, 0.0002939800000000, -0.0001819300000000 ] - [ 0.0000760100000000, 0.0004858300000000, -0.0002829400000000 ] - [ -0.0012533000000000, -0.0066864600000000, 0.0020376000000000 ] - [ -0.0002391900000000, -0.0002496600000000, -0.0000147600000000 ] - [ -0.0006530600000000, 0.0008996300000000, 0.0000612300000000 ] - [ -0.0006476400000000, -0.0045020700000000, -0.0001429000000000 ] - [ 0.0001795000000000, 0.0009901500000000, -0.0000869100000000 ] - [ -0.0001543800000000, 0.0008702200000000, 0.0002071500000000 ] - [ -0.0011453400000000, 0.0013099000000000, -0.0016790400000000 ] - [ -0.0021048300000000, 0.0033440800000000, 0.0051974500000000 ] - [ 0.0000601700000000, 0.0006398000000000, -0.0001201100000000 ] - [ -0.0000113300000000, -0.0002017300000000, -0.0001877300000000 ] - [ -0.0012887400000000, 0.0067521300000000, -0.0012413100000000 ] - [ -0.0003259000000000, -0.0004441000000000, -0.0000668800000000 ] - [ 0.0034144900000000, 0.0043675400000000, 0.0009866700000000 ] - [ 0.0003869300000000, -0.0008336600000000, -0.0000747600000000 ] - [ 0.0003267300000000, 0.0004412500000000, -0.0001103900000000 ] - [ -0.0000101600000000, -0.0003252700000000, -0.0001154400000000 ] - [ -0.0000639100000000, 0.0080460700000000, 0.0017084900000000 ] - [ -0.0003147100000000, -0.0021335000000000, 0.0011103600000000 ] - [ -0.0002751000000000, -0.0014301800000000, -0.0006989100000000 ] - [ 0.0000841800000000, 0.0005914300000000, 0.0009537200000000 ] - [ 0.0002008600000000, 0.0003848400000000, -0.0000372600000000 ] - [ 0.0001393500000000, -0.0002360500000000, 0.0001880600000000 ] - [ -0.0001262900000000, -0.0003480400000000, 0.0001691200000000 ] - [ -0.0007986400000000, 0.0009901700000000, -0.0001762400000000 ] - [ 0.0003245500000000, -0.0001417800000000, -0.0000841300000000 ] - [ -0.0000327900000000, -0.0002960200000000, -0.0001448900000000 ] - [ -0.0004110900000000, -0.0000107800000000, -0.0003078000000000 ] - [ 0.0001449000000000, -0.0004108500000000, -0.0002874600000000 ] - [ -0.0005063000000000, 0.0004995400000000, -0.0004369200000000 ] - [ -0.0000701600000000, -0.0003993000000000, 0.0002806600000000 ] - [ 0.0002371400000000, 0.0001883300000000, 0.0001671200000000 ] - [ -0.0001251400000000, -0.0001921800000000, -0.0001143100000000 ] - [ 0.0003730800000000, 0.0005083700000000, 0.0008607000000000 ] - [ -0.0010732700000000, -0.0012400200000000, -0.0006513700000000 ] - [ 0.0008823600000000, 0.0011684000000000, -0.0006705100000000 ] - [ 0.0004329300000000, -0.0003460700000000, 0.0002890800000000 ] - [ 0.0010448200000000, -0.0017598400000000, -0.0000535300000000 ] - [ 0.0006413200000000, 0.0000120900000000, 0.0006283900000000 ] - [ 0.0048782300000000, 0.0106805300000000, 0.0036638200000000 ] - [ 0.0011571500000000, -0.0027110500000000, 0.0016809500000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0055221600000000, 0.0406547300000000, 0.0130912800000000 ] - [ -0.0001393900000000, -0.0011262100000000, 0.0000656700000000 ] - [ -0.0006825500000000, -0.0002992000000000, -0.0002632900000000 ] - [ 0.0000146700000000, 0.0000551800000000, -0.0001332600000000 ] - [ 0.0000350500000000, 0.0001592200000000, -0.0000451100000000 ] - [ 0.0002728600000000, -0.0005631700000000, 0.0000965300000000 ] - [ 0.0021461600000000, -0.0017151800000000, -0.0003810700000000 ] - [ 0.0021169200000000, -0.0089831700000000, 0.0008409400000000 ] - [ -0.0024461500000000, -0.0097316300000000, -0.0014791500000000 ] - [ -0.0020563000000000, -0.0016275600000000, 0.0006219200000000 ] - [ 0.0004278700000000, -0.0002787600000000, -0.0001404900000000 ] - [ 0.0000354700000000, -0.0000692200000000, -0.0002868800000000 ] - [ -0.0002975900000000, -0.0001757500000000, -0.0002340600000000 ] - [ 0.0000737100000000, -0.0001737200000000, -0.0000185200000000 ] - [ -0.0000342100000000, -0.0003124400000000, 0.0001011100000000 ] - [ -0.0007008900000000, 0.0013744100000000, -0.0013576700000000 ] - [ 0.0000888700000000, -0.0003357000000000, -0.0001523500000000 ] - [ 0.0000967500000000, -0.0003853000000000, 0.0012816000000000 ] - [ -0.0001138400000000, -0.0005373700000000, -0.0002810400000000 ] - [ 0.0002680300000000, -0.0002559200000000, -0.0002499300000000 ] - [ 0.0000257600000000, 0.0002309900000000, 0.0002249300000000 ] - [ -0.0002191500000000, 0.0004801900000000, 0.0000148000000000 ] - [ -0.0000585800000000, 0.0002057900000000, -0.0001036000000000 ] - [ 0.0001705500000000, -0.0001699800000000, -0.0001799500000000 ] - [ -0.0000199200000000, 0.0001259000000000, 0.0000017600000000 ] - [ 0.0002097900000000, 0.0000112900000000, -0.0001031500000000 ] - [ 0.0000179700000000, 0.0004212800000000, -0.0000992800000000 ] - [ 0.0000653000000000, -0.0000637300000000, -0.0000859000000000 ] - [ -0.0000115600000000, -0.0002065200000000, 0.0002370600000000 ] - [ -0.0002042800000000, 0.0004064000000000, 0.0001860300000000 ] - [ 0.0002044900000000, -0.0002851300000000, -0.0003098800000000 ] - [ -0.0001230900000000, 0.0003084800000000, -0.0001923400000000 ] - [ -0.0000915900000000, 0.0006866400000000, 0.0002303400000000 ] - [ 0.0000522600000000, 0.0000060000000000, -0.0000133100000000 ] - [ -0.0003536200000000, -0.0003007400000000, -0.0002430300000000 ] - [ -0.0008640500000000, -0.0011407700000000, 0.0022027100000000 ] - [ -0.0002015300000000, 0.0017000700000000, 0.0001756900000000 ] - [ -0.0000548200000000, -0.0007774300000000, 0.0003227500000000 ] - [ 0.0002208500000000, 0.0004644900000000, -0.0002767400000000 ] - [ 0.0001527700000000, 0.0002692900000000, -0.0001750800000000 ] - [ 0.0014168900000000, 0.0050253800000000, -0.0018650700000000 ] - [ 0.0000111900000000, -0.0014196000000000, 0.0001939700000000 ] - [ 0.0004290000000000, -0.0025823900000000, -0.0002286800000000 ] - [ 0.0009059800000000, 0.0028419100000000, -0.0000657300000000 ] - [ 0.0000406800000000, 0.0006707100000000, 0.0002614500000000 ] - [ -0.0000727100000000, 0.0008013000000000, -0.0000273200000000 ] - [ 0.0013656200000000, 0.0003682700000000, 0.0014886500000000 ] - [ 0.0018575500000000, -0.0016579800000000, -0.0054101500000000 ] - [ -0.0001113900000000, -0.0002569900000000, -0.0002014600000000 ] - [ 0.0000664500000000, 0.0005902700000000, -0.0001282700000000 ] - [ 0.0011436000000000, -0.0061083200000000, 0.0008212700000000 ] - [ 0.0006147600000000, 0.0009882900000000, -0.0002923500000000 ] - [ -0.0032022000000000, -0.0047454500000000, -0.0009084400000000 ] - [ -0.0005394100000000, 0.0005343800000000, 0.0000953700000000 ] - [ 0.0001799300000000, -0.0004820100000000, -0.0000453900000000 ] - [ -0.0004937500000000, 0.0002763000000000, -0.0000442200000000 ] - [ 0.0004242500000000, -0.0079237500000000, -0.0013158700000000 ] - [ -0.0001860600000000, 0.0021052300000000, -0.0009605500000000 ] - [ 0.0001155900000000, 0.0011231200000000, 0.0006719700000000 ] - [ 0.0000687500000000, -0.0008979000000000, -0.0009764300000000 ] - [ -0.0004955800000000, 0.0001689000000000, 0.0004058900000000 ] - [ 0.0001480500000000, 0.0007822300000000, 0.0001748200000000 ] - [ 0.0001828000000000, 0.0007386800000000, 0.0001467300000000 ] - [ 0.0007464900000000, -0.0006073400000000, 0.0004967000000000 ] - [ -0.0002689300000000, -0.0002469000000000, -0.0002306900000000 ] - [ -0.0000224300000000, -0.0000913100000000, -0.0001721300000000 ] - [ 0.0001250400000000, -0.0005341300000000, -0.0000525800000000 ] - [ 0.0001464300000000, -0.0001413700000000, -0.0000783700000000 ] - [ 0.0003492600000000, -0.0001970500000000, 0.0004570500000000 ] - [ 0.0002217100000000, 0.0007016500000000, -0.0002594300000000 ] - [ 0.0002659000000000, -0.0001387000000000, -0.0003311900000000 ] - [ -0.0003793400000000, 0.0002370700000000, -0.0000451400000000 ] - [ 0.0001273000000000, -0.0004555800000000, -0.0006998800000000 ] - [ 0.0005710000000000, 0.0012811100000000, 0.0008086300000000 ] - [ -0.0010346900000000, -0.0008681200000000, 0.0006471400000000 ] - [ -0.0002767800000000, 0.0006460800000000, -0.0003099500000000 ] - [ -0.0007562900000000, 0.0012121900000000, 0.0004306900000000 ] - [ -0.0009276600000000, -0.0005543700000000, -0.0002663500000000 ] - [ -0.0051094700000000, -0.0115309600000000, -0.0037333800000000 ] - [ -0.0011927000000000, 0.0023014000000000, -0.0013413300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0005364400000000, -0.0131365200000000, -0.0312847000000000 ] - [ -0.0000473800000000, -0.0002155100000000, -0.0001879100000000 ] - [ -0.0002511200000000, -0.0000546000000000, -0.0004286300000000 ] - [ 0.0002119000000000, -0.0000159900000000, -0.0004104600000000 ] - [ -0.0001115600000000, -0.0000661500000000, -0.0004784200000000 ] - [ 0.0000596700000000, -0.0002179100000000, -0.0003586300000000 ] - [ -0.0001348900000000, -0.0000761500000000, -0.0011005100000000 ] - [ -0.0000037200000000, -0.0010052200000000, -0.0023096300000000 ] - [ 0.0002805200000000, 0.0015720100000000, -0.0022023300000000 ] - [ -0.0001217400000000, -0.0004847800000000, -0.0007483200000000 ] - [ 0.0004368600000000, -0.0002625100000000, -0.0000270000000000 ] - [ -0.0002980300000000, 0.0001268200000000, -0.0003116000000000 ] - [ 0.0002601800000000, 0.0000471100000000, 0.0000334800000000 ] - [ -0.0000167500000000, -0.0003234400000000, 0.0000680600000000 ] - [ 0.0000328600000000, -0.0001057600000000, 0.0001194000000000 ] - [ 0.0018475700000000, 0.0012231800000000, 0.0064480000000000 ] - [ -0.0003159200000000, 0.0004804000000000, 0.0005997900000000 ] - [ 0.0002021900000000, -0.0010915700000000, 0.0011781200000000 ] - [ -0.0000520200000000, -0.0004327600000000, -0.0001938600000000 ] - [ -0.0000738800000000, -0.0004018500000000, -0.0002040000000000 ] - [ 0.0000091100000000, 0.0003782600000000, 0.0007563200000000 ] - [ -0.0001260600000000, 0.0001642400000000, 0.0006940800000000 ] - [ -0.0001460300000000, -0.0001008700000000, 0.0001656200000000 ] - [ 0.0001741900000000, -0.0000182600000000, -0.0000606800000000 ] - [ -0.0001038000000000, 0.0002131800000000, 0.0002719200000000 ] - [ 0.0000410700000000, 0.0001656300000000, 0.0003076000000000 ] - [ 0.0000783700000000, 0.0003492200000000, 0.0007270100000000 ] - [ -0.0000324500000000, 0.0002450100000000, 0.0003146400000000 ] - [ 0.0001485600000000, 0.0000566100000000, 0.0005002400000000 ] - [ -0.0000775100000000, 0.0001173700000000, 0.0011693400000000 ] - [ -0.0000456800000000, 0.0001097800000000, -0.0001804000000000 ] - [ 0.0000959000000000, 0.0001030500000000, -0.0001742200000000 ] - [ -0.0009751200000000, 0.0000555400000000, 0.0004188300000000 ] - [ 0.0000995700000000, 0.0001551500000000, -0.0000187400000000 ] - [ 0.0005060700000000, 0.0003722800000000, 0.0002763000000000 ] - [ -0.0010164200000000, -0.0021568000000000, 0.0015358200000000 ] - [ 0.0038483000000000, 0.0004668900000000, 0.0031643000000000 ] - [ 0.0000512800000000, 0.0000700400000000, 0.0002131700000000 ] - [ -0.0003978600000000, 0.0004262400000000, -0.0002964000000000 ] - [ 0.0001993900000000, 0.0003249900000000, -0.0001799500000000 ] - [ 0.0029897400000000, 0.0011730300000000, -0.0056842100000000 ] - [ -0.0001506700000000, -0.0008104300000000, -0.0005719900000000 ] - [ -0.0000208200000000, -0.0007640900000000, 0.0000508300000000 ] - [ -0.0070047200000000, -0.0019499700000000, 0.0050760000000000 ] - [ 0.0000552400000000, 0.0010022600000000, 0.0008309400000000 ] - [ -0.0000022800000000, 0.0008152100000000, 0.0007575800000000 ] - [ 0.0013207300000000, -0.0004319400000000, 0.0002472900000000 ] - [ -0.0019030200000000, 0.0054218500000000, 0.0044240500000000 ] - [ -0.0001414500000000, 0.0003601100000000, 0.0006083600000000 ] - [ 0.0002119700000000, 0.0003589800000000, 0.0001073000000000 ] - [ 0.0009406300000000, -0.0009619100000000, 0.0059585300000000 ] - [ -0.0003593100000000, 0.0000032900000000, 0.0002559800000000 ] - [ -0.0036887000000000, 0.0006330300000000, 0.0039925500000000 ] - [ 0.0004150500000000, -0.0007040600000000, 0.0003741600000000 ] - [ 0.0002770000000000, -0.0002674800000000, 0.0002515700000000 ] - [ -0.0005561800000000, 0.0003267500000000, 0.0001252600000000 ] - [ -0.0006191700000000, 0.0035449500000000, 0.0069973000000000 ] - [ -0.0000554400000000, 0.0006534200000000, 0.0006152100000000 ] - [ -0.0003520200000000, -0.0003239300000000, 0.0003991500000000 ] - [ 0.0012105800000000, 0.0006397100000000, 0.0010718700000000 ] - [ 0.0009837600000000, -0.0008175500000000, -0.0011026000000000 ] - [ 0.0000865300000000, 0.0005920900000000, -0.0003020500000000 ] - [ 0.0000895700000000, -0.0000263600000000, -0.0004320500000000 ] - [ -0.0001340700000000, 0.0006953400000000, -0.0019856500000000 ] - [ -0.0002150200000000, 0.0000057600000000, -0.0007810000000000 ] - [ 0.0001019800000000, -0.0002312100000000, -0.0004136100000000 ] - [ -0.0006253900000000, -0.0007571900000000, -0.0013004000000000 ] - [ 0.0002725600000000, -0.0002366600000000, -0.0005748400000000 ] - [ -0.0006502600000000, -0.0000450100000000, -0.0008141600000000 ] - [ 0.0004842700000000, 0.0001424200000000, -0.0004838400000000 ] - [ 0.0002656400000000, 0.0001380300000000, -0.0004212800000000 ] - [ -0.0001040500000000, 0.0000146500000000, -0.0002383400000000 ] - [ -0.0006835000000000, 0.0012491000000000, -0.0019593800000000 ] - [ -0.0009095300000000, -0.0007233200000000, -0.0008953400000000 ] - [ 0.0008490900000000, 0.0001680100000000, -0.0012971100000000 ] - [ -0.0003631000000000, 0.0003443900000000, -0.0004873600000000 ] - [ 0.0010375800000000, -0.0010720900000000, 0.0009083000000000 ] - [ -0.0010541400000000, 0.0001192500000000, 0.0005098200000000 ] - [ 0.0034914600000000, 0.0040552900000000, 0.0074564700000000 ] - [ -0.0002626000000000, 0.0006099200000000, 0.0009210400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000464700000000, 0.0124279400000000, 0.0315622600000000 ] - [ -0.0001820600000000, -0.0005421000000000, 0.0006448400000000 ] - [ -0.0000383900000000, 0.0001147500000000, 0.0000521000000000 ] - [ 0.0000766200000000, 0.0000775700000000, 0.0000347300000000 ] - [ -0.0000680900000000, -0.0001655100000000, 0.0003877500000000 ] - [ 0.0001215000000000, -0.0000136300000000, 0.0002693000000000 ] - [ 0.0000852700000000, -0.0003021600000000, 0.0011141200000000 ] - [ 0.0000560800000000, 0.0006736300000000, 0.0023133900000000 ] - [ -0.0004590100000000, -0.0016874600000000, 0.0026817400000000 ] - [ 0.0002994500000000, 0.0004130600000000, 0.0012367600000000 ] - [ -0.0002643900000000, 0.0001872400000000, -0.0004708400000000 ] - [ 0.0001248200000000, -0.0002031300000000, -0.0001865800000000 ] - [ -0.0003194100000000, -0.0004149600000000, -0.0000479400000000 ] - [ 0.0000787700000000, -0.0000466700000000, -0.0000819000000000 ] - [ 0.0001470300000000, -0.0001250000000000, -0.0000311200000000 ] - [ -0.0019940400000000, -0.0014293000000000, -0.0062664800000000 ] - [ 0.0000286200000000, -0.0004195900000000, -0.0002287400000000 ] - [ 0.0000904800000000, 0.0011404600000000, -0.0007984700000000 ] - [ -0.0001785400000000, -0.0003264100000000, -0.0002669300000000 ] - [ 0.0003029000000000, -0.0003582500000000, -0.0002566900000000 ] - [ 0.0002227800000000, 0.0003836900000000, -0.0003014800000000 ] - [ -0.0001053200000000, 0.0005924600000000, -0.0002363400000000 ] - [ -0.0001400000000000, 0.0000386100000000, -0.0005432900000000 ] - [ 0.0001133600000000, -0.0000422600000000, -0.0003159800000000 ] - [ -0.0000771600000000, 0.0000169800000000, -0.0003634700000000 ] - [ 0.0001406000000000, 0.0000641500000000, -0.0003994000000000 ] - [ -0.0001440200000000, 0.0000199800000000, -0.0007174200000000 ] - [ 0.0000943000000000, 0.0001241400000000, -0.0003049100000000 ] - [ 0.0000242700000000, 0.0000201100000000, -0.0000059400000000 ] - [ -0.0000913700000000, -0.0000423400000000, -0.0006776700000000 ] - [ 0.0002157700000000, -0.0000309000000000, -0.0003157800000000 ] - [ -0.0002678900000000, -0.0000237900000000, -0.0003213400000000 ] - [ 0.0009252000000000, 0.0003144600000000, -0.0004321100000000 ] - [ -0.0000394500000000, 0.0002130500000000, 0.0000055200000000 ] - [ -0.0003244100000000, -0.0001417700000000, -0.0001840900000000 ] - [ 0.0008466100000000, 0.0024139300000000, -0.0014527800000000 ] - [ -0.0041841900000000, -0.0005368700000000, -0.0028047100000000 ] - [ 0.0002364500000000, -0.0001320500000000, 0.0001613200000000 ] - [ 0.0001696100000000, 0.0003316900000000, -0.0001627200000000 ] - [ 0.0000287900000000, 0.0004329100000000, -0.0002784400000000 ] - [ -0.0028222400000000, -0.0028587000000000, 0.0058566700000000 ] - [ -0.0000790500000000, -0.0008797300000000, 0.0007630200000000 ] - [ -0.0002116200000000, -0.0009278600000000, -0.0002499100000000 ] - [ 0.0071715700000000, 0.0002772100000000, -0.0052544300000000 ] - [ 0.0001791300000000, 0.0006884400000000, -0.0006400800000000 ] - [ -0.0002318500000000, 0.0008705000000000, -0.0005679400000000 ] - [ -0.0010989400000000, 0.0021357600000000, -0.0004310500000000 ] - [ 0.0016579100000000, -0.0037793600000000, -0.0046319600000000 ] - [ 0.0001172400000000, 0.0000129300000000, -0.0009680400000000 ] - [ -0.0001837300000000, 0.0000184200000000, -0.0004621300000000 ] - [ -0.0011917800000000, 0.0015751900000000, -0.0063713600000000 ] - [ 0.0006753900000000, 0.0005728500000000, -0.0006429300000000 ] - [ 0.0038971100000000, -0.0010237200000000, -0.0038259700000000 ] - [ -0.0005340500000000, 0.0003808200000000, -0.0003308700000000 ] - [ 0.0002582200000000, 0.0002577700000000, -0.0003859100000000 ] - [ 0.0000254200000000, -0.0003420800000000, -0.0002643600000000 ] - [ 0.0009593400000000, -0.0033049100000000, -0.0065781600000000 ] - [ -0.0004764300000000, -0.0006669600000000, -0.0004743900000000 ] - [ 0.0002333300000000, 0.0000019400000000, -0.0004397500000000 ] - [ -0.0010892400000000, -0.0009596600000000, -0.0011084500000000 ] - [ -0.0013009200000000, 0.0013878200000000, 0.0014874900000000 ] - [ 0.0002333500000000, -0.0000137200000000, 0.0006895900000000 ] - [ -0.0000619600000000, 0.0004024700000000, 0.0007868500000000 ] - [ 0.0001164800000000, -0.0003173200000000, 0.0023304100000000 ] - [ 0.0002428800000000, -0.0003822800000000, 0.0004294200000000 ] - [ -0.0001287900000000, -0.0001446800000000, 0.0000601900000000 ] - [ 0.0002997600000000, 0.0001732000000000, 0.0009091200000000 ] - [ 0.0000475400000000, -0.0003419500000000, 0.0001882100000000 ] - [ 0.0005361400000000, 0.0003731700000000, 0.0008554000000000 ] - [ -0.0003675500000000, 0.0001790600000000, 0.0005241200000000 ] - [ 0.0002664100000000, -0.0001242400000000, 0.0002807200000000 ] - [ -0.0004268200000000, -0.0000001000000000, 0.0000977100000000 ] - [ 0.0012294000000000, -0.0012548600000000, 0.0021115000000000 ] - [ 0.0003814900000000, 0.0007392800000000, 0.0010303100000000 ] - [ -0.0009704800000000, 0.0001639200000000, 0.0012555300000000 ] - [ 0.0004840300000000, -0.0000227700000000, 0.0004440800000000 ] - [ -0.0007171300000000, 0.0004935000000000, -0.0005269900000000 ] - [ 0.0007385400000000, -0.0006963500000000, -0.0001317100000000 ] - [ -0.0035937600000000, -0.0046924300000000, -0.0072441700000000 ] - [ 0.0002306000000000, -0.0009872200000000, -0.0005800100000000 ]- atom: 3 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005956700000000, 0.0001586400000000, 0.0001224500000000 ] - [ 0.0004596700000000, -0.0005065500000000, 0.0001624400000000 ] - [ -0.0334318800000000, -0.0104572000000000, 0.0097711300000000 ] - [ 0.0001177100000000, 0.0002482900000000, -0.0001258200000000 ] - [ 0.0010411600000000, -0.0016816500000000, 0.0001758900000000 ] - [ -0.0019465000000000, -0.0020065600000000, 0.0000127300000000 ] - [ 0.0007521300000000, -0.0002137100000000, -0.0000080900000000 ] - [ 0.0000679600000000, -0.0002821200000000, 0.0000354700000000 ] - [ 0.0091302900000000, 0.0009171900000000, -0.0018851300000000 ] - [ 0.0003677400000000, 0.0000463000000000, 0.0003484400000000 ] - [ -0.0001906000000000, -0.0001068100000000, -0.0002347600000000 ] - [ 0.0007529000000000, -0.0001439900000000, 0.0011840500000000 ] - [ -0.0021480900000000, 0.0001975700000000, -0.0012989400000000 ] - [ 0.0000898200000000, -0.0001073300000000, 0.0000993200000000 ] - [ 0.0004220300000000, -0.0000273600000000, 0.0001845900000000 ] - [ -0.0000851600000000, 0.0001466900000000, -0.0002540300000000 ] - [ 0.0001999100000000, -0.0000345900000000, 0.0002445700000000 ] - [ 0.0001878000000000, -0.0000766900000000, 0.0001586500000000 ] - [ -0.0008346400000000, -0.0004306300000000, -0.0001753300000000 ] - [ 0.0002901700000000, -0.0006130200000000, -0.0000568900000000 ] - [ 0.0002020300000000, 0.0004647600000000, 0.0002255800000000 ] - [ 0.0000208700000000, 0.0003530000000000, 0.0001984200000000 ] - [ -0.0003332200000000, -0.0000813800000000, -0.0000738100000000 ] - [ 0.0001363800000000, -0.0000035700000000, -0.0002530300000000 ] - [ -0.0000235100000000, 0.0001120200000000, -0.0000704100000000 ] - [ -0.0001119600000000, 0.0000748100000000, -0.0000872700000000 ] - [ 0.0000911100000000, 0.0002006300000000, -0.0000263000000000 ] - [ 0.0000765100000000, 0.0001206300000000, -0.0000702900000000 ] - [ 0.0002821500000000, 0.0000360600000000, 0.0001945200000000 ] - [ -0.0000439100000000, 0.0000696500000000, 0.0003353300000000 ] - [ -0.0007939200000000, -0.0002295600000000, -0.0000973600000000 ] - [ -0.0000480800000000, -0.0002646000000000, -0.0005018000000000 ] - [ -0.0007985400000000, 0.0002946900000000, 0.0002156900000000 ] - [ 0.0003320600000000, 0.0004315000000000, -0.0003883100000000 ] - [ 0.0003295700000000, 0.0001827000000000, -0.0000471100000000 ] - [ 0.0015537700000000, 0.0007368600000000, 0.0021109700000000 ] - [ 0.0001594900000000, -0.0000720400000000, 0.0001858700000000 ] - [ 0.0005871100000000, -0.0005821500000000, 0.0006788100000000 ] - [ -0.0003989000000000, 0.0005772500000000, -0.0003215900000000 ] - [ 0.0023312100000000, 0.0003132700000000, -0.0042659500000000 ] - [ -0.0063472700000000, 0.0006950800000000, -0.0018620600000000 ] - [ 0.0052253000000000, 0.0057291400000000, 0.0021544300000000 ] - [ 0.0022775400000000, -0.0027529400000000, -0.0020184900000000 ] - [ 0.0010292600000000, -0.0006833000000000, -0.0001716400000000 ] - [ -0.0012482700000000, 0.0011451500000000, 0.0000877500000000 ] - [ -0.0000467000000000, 0.0009047600000000, -0.0000059500000000 ] - [ 0.0020673100000000, 0.0013009500000000, -0.0000189500000000 ] - [ 0.0001452100000000, 0.0010174500000000, 0.0000975800000000 ] - [ 0.0008164300000000, 0.0005757900000000, -0.0003864000000000 ] - [ 0.0080342100000000, 0.0046487600000000, -0.0047613600000000 ] - [ 0.0064998100000000, -0.0012000500000000, 0.0011837700000000 ] - [ -0.0010890400000000, -0.0006782200000000, 0.0006451400000000 ] - [ 0.0003552700000000, -0.0003200100000000, 0.0001203400000000 ] - [ -0.0016787300000000, -0.0000844700000000, -0.0007254200000000 ] - [ 0.0056730900000000, 0.0027353200000000, -0.0002883400000000 ] - [ 0.0009585700000000, -0.0009321300000000, -0.0009370600000000 ] - [ -0.0009908300000000, -0.0006178000000000, 0.0006153100000000 ] - [ -0.0011014000000000, 0.0005284600000000, -0.0002248500000000 ] - [ 0.0051173900000000, -0.0002730100000000, -0.0006955100000000 ] - [ -0.0004326800000000, -0.0001817800000000, -0.0003084200000000 ] - [ -0.0006592900000000, 0.0005410900000000, 0.0001485100000000 ] - [ 0.0005495600000000, 0.0008955800000000, 0.0006572600000000 ] - [ -0.0007465000000000, -0.0000212700000000, 0.0006727300000000 ] - [ -0.0001663600000000, 0.0002295100000000, 0.0001983200000000 ] - [ 0.0001750200000000, -0.0000432800000000, -0.0003021000000000 ] - [ 0.0006279700000000, -0.0003487200000000, -0.0005940000000000 ] - [ 0.0002575100000000, -0.0004240700000000, 0.0000504800000000 ] - [ -0.0000472900000000, -0.0002938600000000, -0.0002026100000000 ] - [ -0.0002641600000000, 0.0001682100000000, 0.0001063000000000 ] - [ 0.0005790600000000, 0.0002792500000000, -0.0011291300000000 ] - [ 0.0009134600000000, 0.0001256100000000, 0.0006537500000000 ] - [ -0.0000900200000000, -0.0002883300000000, 0.0003400300000000 ] - [ -0.0002794400000000, 0.0000537900000000, 0.0000007400000000 ] - [ -0.0005741300000000, 0.0000266800000000, 0.0000632400000000 ] - [ 0.0001579800000000, -0.0000106500000000, -0.0002457400000000 ] - [ -0.0006057600000000, 0.0003244700000000, 0.0002540800000000 ] - [ 0.0005634900000000, 0.0001730300000000, -0.0001063800000000 ] - [ -0.0021688600000000, -0.0002440000000000, 0.0012184500000000 ] - [ -0.0004477900000000, -0.0003854500000000, 0.0001445200000000 ] - [ -0.0024272200000000, -0.0000757200000000, -0.0008310400000000 ]- atom: 3 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003642200000000, -0.0009227500000000, 0.0003355100000000 ] - [ -0.0006904100000000, -0.0002487600000000, 0.0002982900000000 ] - [ 0.0333588600000000, 0.0103611400000000, -0.0101099000000000 ] - [ 0.0001680700000000, -0.0001885100000000, -0.0002487100000000 ] - [ -0.0012168800000000, 0.0014313500000000, -0.0002610700000000 ] - [ 0.0021450200000000, 0.0017468600000000, -0.0001033400000000 ] - [ -0.0008119900000000, -0.0001552400000000, 0.0000225100000000 ] - [ -0.0000084800000000, -0.0000839400000000, -0.0000225800000000 ] - [ -0.0094394900000000, -0.0010150900000000, 0.0024202700000000 ] - [ -0.0001972000000000, -0.0001257800000000, 0.0001473900000000 ] - [ 0.0003621100000000, 0.0000310900000000, -0.0002613600000000 ] - [ -0.0009256200000000, 0.0000636600000000, -0.0016652000000000 ] - [ 0.0020990700000000, -0.0005606800000000, 0.0012553500000000 ] - [ -0.0000292600000000, -0.0002626600000000, -0.0001106600000000 ] - [ -0.0002405000000000, -0.0002017100000000, -0.0000924900000000 ] - [ -0.0000953400000000, -0.0003791400000000, 0.0003454700000000 ] - [ -0.0004876400000000, 0.0000941900000000, 0.0001321800000000 ] - [ 0.0001003100000000, 0.0001365300000000, 0.0002157200000000 ] - [ 0.0006011100000000, -0.0003317900000000, -0.0002883500000000 ] - [ -0.0000623000000000, -0.0001459200000000, -0.0004027000000000 ] - [ 0.0000294900000000, 0.0002948400000000, 0.0002324300000000 ] - [ -0.0002523200000000, 0.0004052600000000, 0.0002606700000000 ] - [ 0.0000456600000000, 0.0000209600000000, -0.0003019600000000 ] - [ 0.0001492600000000, -0.0000554300000000, -0.0001217000000000 ] - [ -0.0001595600000000, 0.0001179100000000, -0.0000218300000000 ] - [ 0.0002934800000000, 0.0001556600000000, -0.0000034400000000 ] - [ -0.0001541300000000, 0.0001690300000000, 0.0000363100000000 ] - [ -0.0000158900000000, 0.0002491200000000, 0.0000801700000000 ] - [ -0.0001091600000000, 0.0000414200000000, 0.0003004800000000 ] - [ -0.0001275900000000, 0.0000064700000000, 0.0001599200000000 ] - [ 0.0009683300000000, 0.0003035200000000, -0.0003903800000000 ] - [ -0.0001259800000000, 0.0003415700000000, 0.0000044300000000 ] - [ 0.0007383800000000, 0.0000779700000000, -0.0002208500000000 ] - [ -0.0002763800000000, -0.0000620300000000, 0.0003761500000000 ] - [ -0.0001491300000000, 0.0000485300000000, 0.0001382000000000 ] - [ -0.0017424700000000, -0.0005168000000000, -0.0020423100000000 ] - [ -0.0004465200000000, 0.0000093700000000, 0.0001882500000000 ] - [ -0.0003002200000000, 0.0005269300000000, -0.0003090500000000 ] - [ 0.0001688700000000, 0.0001801500000000, -0.0001378600000000 ] - [ -0.0021007300000000, 0.0004474100000000, 0.0037653600000000 ] - [ 0.0065897700000000, -0.0023107500000000, 0.0020294300000000 ] - [ -0.0054528700000000, -0.0073342100000000, -0.0019894200000000 ] - [ -0.0025061700000000, 0.0010737500000000, 0.0018453700000000 ] - [ -0.0007959800000000, -0.0010003900000000, 0.0000009000000000 ] - [ 0.0014849500000000, 0.0005354700000000, 0.0000886700000000 ] - [ -0.0001954300000000, 0.0007722400000000, 0.0001810400000000 ] - [ -0.0018312900000000, 0.0003831200000000, -0.0001684100000000 ] - [ -0.0003809200000000, 0.0006655200000000, -0.0002738400000000 ] - [ -0.0008362400000000, -0.0002013200000000, 0.0000264200000000 ] - [ -0.0078680000000000, -0.0040286500000000, 0.0042397200000000 ] - [ -0.0069861500000000, 0.0015733700000000, -0.0016388000000000 ] - [ 0.0014045100000000, 0.0012496800000000, -0.0010186700000000 ] - [ -0.0002443600000000, -0.0000060900000000, -0.0000727600000000 ] - [ 0.0015583300000000, -0.0002495800000000, 0.0007641700000000 ] - [ -0.0050841600000000, -0.0028194200000000, 0.0002100900000000 ] - [ -0.0014790800000000, 0.0009140000000000, 0.0007973900000000 ] - [ 0.0015236900000000, 0.0006105100000000, -0.0004835200000000 ] - [ 0.0005678000000000, -0.0005423200000000, 0.0003587800000000 ] - [ -0.0053622200000000, 0.0000786600000000, 0.0008312100000000 ] - [ 0.0005534200000000, -0.0001417900000000, 0.0002658200000000 ] - [ 0.0003439000000000, 0.0000362100000000, 0.0002322200000000 ] - [ -0.0002322600000000, -0.0003179500000000, -0.0002734600000000 ] - [ 0.0007694600000000, 0.0003932900000000, -0.0003141300000000 ] - [ 0.0001384900000000, 0.0001463500000000, 0.0001573500000000 ] - [ -0.0001483000000000, -0.0003329100000000, -0.0000527700000000 ] - [ -0.0006528700000000, -0.0000252800000000, 0.0002400100000000 ] - [ -0.0005770300000000, -0.0001526400000000, -0.0004310800000000 ] - [ 0.0003646200000000, -0.0002844800000000, -0.0001804200000000 ] - [ 0.0001476800000000, 0.0001594700000000, -0.0000612100000000 ] - [ -0.0004678500000000, 0.0000443000000000, 0.0011749100000000 ] - [ -0.0003803000000000, -0.0001109400000000, -0.0007926000000000 ] - [ -0.0004372300000000, 0.0003058900000000, -0.0004817500000000 ] - [ 0.0008027600000000, -0.0000336700000000, 0.0001405600000000 ] - [ 0.0000430400000000, -0.0000133800000000, 0.0000751100000000 ] - [ -0.0002776300000000, 0.0003348700000000, 0.0002017100000000 ] - [ 0.0007297400000000, -0.0000052200000000, -0.0002937300000000 ] - [ -0.0002507700000000, -0.0007509800000000, 0.0004869300000000 ] - [ 0.0018374100000000, -0.0003265100000000, -0.0008265900000000 ] - [ 0.0004702300000000, 0.0000102300000000, 0.0002104700000000 ] - [ 0.0024187100000000, -0.0003031400000000, 0.0011955300000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008355100000000, -0.0000523700000000, 0.0001436500000000 ] - [ -0.0000200500000000, -0.0004053800000000, 0.0001838600000000 ] - [ -0.0105985000000000, -0.0476363500000000, 0.0038567100000000 ] - [ -0.0000735100000000, 0.0009048100000000, -0.0003495000000000 ] - [ -0.0016144400000000, 0.0005658000000000, -0.0000515000000000 ] - [ -0.0014925400000000, 0.0088340300000000, 0.0005381800000000 ] - [ -0.0000442100000000, -0.0005624600000000, 0.0000034000000000 ] - [ 0.0000479000000000, 0.0004812600000000, 0.0001097900000000 ] - [ 0.0006988000000000, -0.0025711200000000, -0.0000062900000000 ] - [ 0.0001634700000000, 0.0003165700000000, 0.0003058500000000 ] - [ -0.0000701200000000, 0.0006994100000000, -0.0003363200000000 ] - [ -0.0003400500000000, -0.0009694500000000, -0.0003602800000000 ] - [ 0.0003445200000000, -0.0023173300000000, -0.0017901200000000 ] - [ 0.0000970100000000, 0.0002068300000000, 0.0001297000000000 ] - [ 0.0000828200000000, -0.0000159400000000, 0.0001798400000000 ] - [ 0.0002175000000000, -0.0002849000000000, -0.0003719600000000 ] - [ -0.0002077700000000, -0.0002822400000000, 0.0002014700000000 ] - [ 0.0002493600000000, 0.0004501600000000, 0.0000565800000000 ] - [ 0.0000372700000000, 0.0000346700000000, 0.0008896100000000 ] - [ -0.0002183000000000, -0.0000163600000000, -0.0006805300000000 ] - [ 0.0000952200000000, 0.0001438500000000, 0.0003005000000000 ] - [ -0.0001359700000000, 0.0005200500000000, 0.0002185100000000 ] - [ -0.0000921000000000, 0.0000432500000000, -0.0002580400000000 ] - [ 0.0001696500000000, -0.0000169200000000, -0.0002305100000000 ] - [ -0.0001618800000000, -0.0001286700000000, -0.0001239100000000 ] - [ 0.0001123200000000, 0.0003502600000000, -0.0000204000000000 ] - [ -0.0000475500000000, 0.0001850000000000, -0.0000321300000000 ] - [ 0.0000001000000000, 0.0002520700000000, 0.0000950700000000 ] - [ 0.0000672000000000, 0.0000820700000000, 0.0002803900000000 ] - [ -0.0000174300000000, 0.0000591300000000, 0.0003011600000000 ] - [ -0.0000097200000000, 0.0011513800000000, -0.0019898700000000 ] - [ -0.0005103500000000, 0.0000772500000000, 0.0001658000000000 ] - [ 0.0001628600000000, 0.0012445700000000, 0.0016851900000000 ] - [ 0.0003274000000000, 0.0005355800000000, -0.0004381600000000 ] - [ 0.0001498400000000, 0.0003540100000000, -0.0000443000000000 ] - [ 0.0003680100000000, -0.0008824600000000, 0.0005517600000000 ] - [ -0.0001026900000000, 0.0000482700000000, 0.0002833100000000 ] - [ -0.0004124400000000, 0.0001123200000000, -0.0002158400000000 ] - [ -0.0000090600000000, 0.0011265500000000, -0.0001307900000000 ] - [ -0.0004251200000000, -0.0013492100000000, 0.0002802000000000 ] - [ 0.0019910700000000, 0.0174442700000000, -0.0035658900000000 ] - [ 0.0071201200000000, 0.0027510900000000, 0.0022721800000000 ] - [ -0.0021948800000000, 0.0006971100000000, 0.0015309300000000 ] - [ -0.0000167000000000, -0.0006837400000000, -0.0002937600000000 ] - [ 0.0004486800000000, -0.0004688300000000, -0.0000006000000000 ] - [ -0.0001585400000000, 0.0014961100000000, 0.0001043700000000 ] - [ 0.0003443800000000, -0.0000472100000000, -0.0000366600000000 ] - [ -0.0001027600000000, 0.0020659100000000, -0.0001291200000000 ] - [ 0.0014358200000000, -0.0021282700000000, -0.0017202300000000 ] - [ 0.0038442800000000, 0.0108578800000000, -0.0058206400000000 ] - [ 0.0011623600000000, 0.0050842400000000, 0.0005896500000000 ] - [ -0.0008848600000000, -0.0010867300000000, 0.0006752400000000 ] - [ -0.0018484200000000, -0.0019909700000000, 0.0015023700000000 ] - [ -0.0009810100000000, 0.0010440700000000, -0.0007456300000000 ] - [ 0.0012350600000000, 0.0027441300000000, 0.0010875800000000 ] - [ -0.0003657600000000, -0.0021571800000000, -0.0008898100000000 ] - [ -0.0001465200000000, 0.0004924800000000, 0.0004254000000000 ] - [ 0.0001219700000000, -0.0009232400000000, 0.0003079600000000 ] - [ -0.0001545300000000, 0.0057058300000000, 0.0006718800000000 ] - [ 0.0005443100000000, -0.0009333900000000, 0.0001302300000000 ] - [ 0.0001991300000000, 0.0004733900000000, 0.0004668400000000 ] - [ -0.0000981700000000, -0.0005698200000000, -0.0003296600000000 ] - [ 0.0004573800000000, 0.0004903300000000, -0.0003393200000000 ] - [ -0.0000589400000000, 0.0000149300000000, 0.0003947600000000 ] - [ 0.0002077700000000, -0.0008307100000000, 0.0001553900000000 ] - [ -0.0001626500000000, 0.0005626500000000, -0.0004582000000000 ] - [ -0.0002737500000000, 0.0003262700000000, 0.0001141700000000 ] - [ 0.0002381200000000, -0.0006024300000000, -0.0003659700000000 ] - [ 0.0000187900000000, -0.0001048600000000, -0.0001297100000000 ] - [ 0.0002208300000000, 0.0008455400000000, 0.0007930800000000 ] - [ 0.0003292000000000, 0.0007738700000000, -0.0010854600000000 ] - [ -0.0004668700000000, -0.0007575900000000, 0.0003576800000000 ] - [ -0.0000812000000000, 0.0003623100000000, -0.0000778100000000 ] - [ -0.0003079200000000, -0.0002274000000000, 0.0000377800000000 ] - [ -0.0004609200000000, -0.0005201500000000, -0.0002623300000000 ] - [ -0.0003996200000000, 0.0005415900000000, 0.0002548300000000 ] - [ 0.0009735500000000, -0.0022105000000000, 0.0009945000000000 ] - [ 0.0005727100000000, 0.0004735500000000, -0.0002941600000000 ] - [ -0.0001927500000000, -0.0008663600000000, -0.0001453600000000 ] - [ 0.0002683000000000, 0.0005738700000000, 0.0004934000000000 ]- atom: 3 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006058700000000, -0.0007038700000000, 0.0003127300000000 ] - [ -0.0002096800000000, -0.0003524000000000, 0.0002768400000000 ] - [ 0.0102382300000000, 0.0478196700000000, -0.0041151900000000 ] - [ 0.0003621700000000, -0.0008510500000000, -0.0000292700000000 ] - [ 0.0014421700000000, -0.0007978300000000, -0.0000300900000000 ] - [ 0.0016451300000000, -0.0089327100000000, -0.0006161100000000 ] - [ -0.0000244200000000, 0.0001893100000000, 0.0000079100000000 ] - [ 0.0000162600000000, -0.0008539500000000, -0.0000976700000000 ] - [ -0.0008307700000000, 0.0024997600000000, 0.0004964400000000 ] - [ 0.0000060600000000, -0.0003960100000000, 0.0001928100000000 ] - [ 0.0002392400000000, -0.0007746200000000, -0.0001597300000000 ] - [ 0.0001630800000000, 0.0008923900000000, -0.0001459400000000 ] - [ -0.0004069500000000, 0.0019548900000000, 0.0017474400000000 ] - [ -0.0000269700000000, -0.0005841700000000, -0.0001384800000000 ] - [ 0.0000989500000000, -0.0002165900000000, -0.0000925800000000 ] - [ -0.0003999700000000, 0.0000537700000000, 0.0004597700000000 ] - [ -0.0000786200000000, 0.0003381600000000, 0.0001764500000000 ] - [ 0.0000362800000000, -0.0003966900000000, 0.0003228600000000 ] - [ -0.0002709500000000, -0.0007921300000000, -0.0013415200000000 ] - [ 0.0004470500000000, -0.0007392100000000, 0.0002200400000000 ] - [ 0.0001342700000000, 0.0006108000000000, 0.0001597600000000 ] - [ -0.0000959500000000, 0.0002349700000000, 0.0002414800000000 ] - [ -0.0001928800000000, -0.0001005700000000, -0.0001221400000000 ] - [ 0.0001168300000000, -0.0000398500000000, -0.0001470600000000 ] - [ -0.0000191900000000, 0.0003597000000000, 0.0000375700000000 ] - [ 0.0000695500000000, -0.0001214700000000, -0.0000676100000000 ] - [ -0.0000217200000000, 0.0001902300000000, 0.0000449500000000 ] - [ 0.0000687800000000, 0.0001236100000000, -0.0000881800000000 ] - [ 0.0001027300000000, -0.0000104400000000, 0.0002197500000000 ] - [ -0.0001531700000000, 0.0000157000000000, 0.0001987500000000 ] - [ 0.0001837300000000, -0.0010728000000000, 0.0014762800000000 ] - [ 0.0003453000000000, -0.0000001600000000, -0.0006676400000000 ] - [ -0.0002373100000000, -0.0008773500000000, -0.0017097300000000 ] - [ -0.0002588600000000, -0.0001646400000000, 0.0004256600000000 ] - [ 0.0000313000000000, -0.0001232400000000, 0.0001313600000000 ] - [ -0.0005434100000000, 0.0011132500000000, -0.0004555200000000 ] - [ -0.0001831500000000, -0.0001055800000000, 0.0000940300000000 ] - [ 0.0006932300000000, -0.0001722100000000, 0.0005941400000000 ] - [ -0.0002207100000000, -0.0003728200000000, -0.0003326600000000 ] - [ 0.0006388200000000, 0.0021136800000000, -0.0007224600000000 ] - [ -0.0018097400000000, -0.0193528200000000, 0.0038040800000000 ] - [ -0.0072886500000000, -0.0044204200000000, -0.0021097700000000 ] - [ 0.0019741100000000, -0.0023777900000000, -0.0017101100000000 ] - [ 0.0002477600000000, -0.0009877200000000, 0.0001107600000000 ] - [ -0.0002212800000000, 0.0021429100000000, 0.0001858700000000 ] - [ -0.0000637800000000, 0.0001691700000000, 0.0000674900000000 ] - [ -0.0001099900000000, 0.0017308900000000, -0.0001422400000000 ] - [ -0.0001356900000000, -0.0003795100000000, -0.0000584300000000 ] - [ -0.0014874700000000, 0.0025252400000000, 0.0013972400000000 ] - [ -0.0034698200000000, -0.0101184600000000, 0.0051888100000000 ] - [ -0.0017041800000000, -0.0048300400000000, -0.0010668700000000 ] - [ 0.0011781100000000, 0.0016413200000000, -0.0010365000000000 ] - [ 0.0020030400000000, 0.0016837100000000, -0.0014786700000000 ] - [ 0.0008466400000000, -0.0013547600000000, 0.0007775900000000 ] - [ -0.0006430800000000, -0.0029379800000000, -0.0011139100000000 ] - [ -0.0001567700000000, 0.0021155700000000, 0.0007333700000000 ] - [ 0.0006541600000000, -0.0005335900000000, -0.0002697200000000 ] - [ -0.0006338800000000, 0.0008953500000000, -0.0001606400000000 ] - [ -0.0001031400000000, -0.0059158100000000, -0.0005526600000000 ] - [ -0.0004103000000000, 0.0006189600000000, -0.0001653500000000 ] - [ -0.0004926200000000, 0.0000807300000000, -0.0000980500000000 ] - [ 0.0003971600000000, 0.0011299800000000, 0.0007010900000000 ] - [ -0.0004168600000000, -0.0001109400000000, 0.0006779200000000 ] - [ 0.0000215700000000, 0.0003619900000000, -0.0000573900000000 ] - [ -0.0001664700000000, 0.0004459700000000, -0.0004909600000000 ] - [ 0.0001215600000000, -0.0009413200000000, 0.0001239000000000 ] - [ -0.0000218600000000, -0.0008859100000000, -0.0004823100000000 ] - [ 0.0000537200000000, 0.0000474600000000, -0.0000026800000000 ] - [ -0.0001523300000000, 0.0004169800000000, 0.0001648800000000 ] - [ -0.0000826200000000, -0.0005339100000000, -0.0007645300000000 ] - [ 0.0001803600000000, -0.0007462200000000, 0.0009361300000000 ] - [ -0.0000432500000000, 0.0007961000000000, -0.0005129100000000 ] - [ 0.0005929700000000, -0.0003316200000000, 0.0002260600000000 ] - [ -0.0002015500000000, 0.0002642500000000, 0.0001147500000000 ] - [ 0.0003271200000000, 0.0008299500000000, 0.0002294300000000 ] - [ 0.0005359800000000, -0.0002298700000000, -0.0002906100000000 ] - [ -0.0006686000000000, 0.0016412300000000, -0.0006140800000000 ] - [ -0.0008697000000000, -0.0010331500000000, 0.0006641600000000 ] - [ 0.0002341600000000, 0.0004806600000000, 0.0004785400000000 ] - [ -0.0003134100000000, -0.0009540400000000, -0.0001611100000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001562600000000, -0.0003060100000000, -0.0000098100000000 ] - [ -0.0002969000000000, -0.0004349400000000, 0.0000087000000000 ] - [ 0.0097910800000000, 0.0039011200000000, -0.0300912200000000 ] - [ 0.0000807500000000, -0.0001317500000000, -0.0003618000000000 ] - [ 0.0000288900000000, -0.0000690800000000, -0.0008182500000000 ] - [ 0.0002532900000000, 0.0002363600000000, -0.0022842900000000 ] - [ -0.0000128400000000, -0.0001379400000000, -0.0002752300000000 ] - [ 0.0000139500000000, -0.0000375600000000, -0.0002448200000000 ] - [ -0.0020769600000000, -0.0002977500000000, -0.0017890700000000 ] - [ 0.0000400700000000, -0.0000403500000000, 0.0001059500000000 ] - [ 0.0001817700000000, 0.0000527300000000, -0.0002401400000000 ] - [ 0.0013992800000000, -0.0000000600000000, 0.0007797400000000 ] - [ -0.0012724800000000, -0.0019189500000000, 0.0091373400000000 ] - [ 0.0000352700000000, -0.0002756100000000, 0.0000235200000000 ] - [ -0.0000971200000000, -0.0001137000000000, 0.0000606400000000 ] - [ -0.0003777600000000, -0.0004126000000000, 0.0002232400000000 ] - [ -0.0001980900000000, 0.0000160000000000, 0.0002282400000000 ] - [ 0.0001136700000000, 0.0001617100000000, 0.0002457300000000 ] - [ 0.0001701400000000, 0.0007147400000000, 0.0007617800000000 ] - [ 0.0002942000000000, -0.0007229900000000, 0.0001836900000000 ] - [ 0.0002136900000000, 0.0004652000000000, 0.0005846700000000 ] - [ -0.0001494400000000, 0.0003873900000000, 0.0003582100000000 ] - [ -0.0000281200000000, 0.0000372700000000, 0.0001603700000000 ] - [ 0.0002083700000000, 0.0000144600000000, 0.0000552000000000 ] - [ -0.0001649600000000, 0.0000027100000000, 0.0003736900000000 ] - [ 0.0001380300000000, 0.0001339200000000, 0.0001827100000000 ] - [ -0.0000583700000000, 0.0002080400000000, 0.0001778600000000 ] - [ 0.0001223800000000, 0.0000136200000000, 0.0003897700000000 ] - [ 0.0000447000000000, 0.0000193000000000, 0.0004196500000000 ] - [ -0.0000805500000000, 0.0000604200000000, 0.0004211400000000 ] - [ 0.0000808000000000, -0.0017301100000000, 0.0010550000000000 ] - [ -0.0003383200000000, 0.0004263700000000, -0.0002316300000000 ] - [ 0.0003437700000000, 0.0019413200000000, 0.0008994200000000 ] - [ -0.0003132300000000, -0.0001768000000000, 0.0002471900000000 ] - [ 0.0000817000000000, 0.0000917400000000, 0.0000179300000000 ] - [ 0.0020504800000000, 0.0008359100000000, 0.0011367000000000 ] - [ -0.0001407500000000, 0.0000652300000000, 0.0001735600000000 ] - [ 0.0006349200000000, -0.0004319700000000, 0.0001301300000000 ] - [ -0.0000987400000000, 0.0002441700000000, -0.0002020600000000 ] - [ -0.0039551100000000, 0.0004031600000000, 0.0027489100000000 ] - [ -0.0020013800000000, -0.0046560300000000, -0.0050217000000000 ] - [ 0.0002153300000000, -0.0000127900000000, -0.0033343200000000 ] - [ -0.0027650200000000, 0.0010194600000000, 0.0020391600000000 ] - [ 0.0003080300000000, -0.0009201300000000, 0.0000391600000000 ] - [ -0.0001359400000000, 0.0007960900000000, 0.0035925800000000 ] - [ -0.0001716000000000, 0.0008599300000000, 0.0005226800000000 ] - [ -0.0001598600000000, 0.0008058000000000, 0.0001226600000000 ] - [ 0.0000773200000000, 0.0007901600000000, -0.0000275600000000 ] - [ -0.0003234000000000, -0.0002014100000000, 0.0008286000000000 ] - [ -0.0024719100000000, -0.0036321000000000, 0.0089432000000000 ] - [ 0.0010882900000000, -0.0006316000000000, 0.0058902600000000 ] - [ 0.0003973700000000, 0.0004832100000000, 0.0000632800000000 ] - [ 0.0002994300000000, -0.0000746300000000, 0.0001192700000000 ] - [ 0.0001975900000000, -0.0008934900000000, 0.0005738400000000 ] - [ 0.0001779100000000, 0.0032064000000000, 0.0040951000000000 ] - [ -0.0012196900000000, -0.0000882000000000, 0.0006286900000000 ] - [ 0.0005404800000000, 0.0002462200000000, 0.0003374900000000 ] - [ 0.0003557700000000, -0.0005743100000000, 0.0004816400000000 ] - [ -0.0005507600000000, 0.0004229900000000, 0.0062765000000000 ] - [ -0.0002347300000000, 0.0001416100000000, 0.0000666400000000 ] - [ -0.0003829500000000, 0.0003479300000000, -0.0002350000000000 ] - [ -0.0002067900000000, -0.0003573300000000, -0.0006514400000000 ] - [ 0.0006231800000000, 0.0005417000000000, -0.0008561100000000 ] - [ -0.0000498600000000, 0.0001916800000000, -0.0000809000000000 ] - [ -0.0001432000000000, -0.0000544300000000, -0.0006363000000000 ] - [ 0.0000250000000000, -0.0001323900000000, -0.0024944400000000 ] - [ -0.0003158000000000, -0.0004574200000000, -0.0015753500000000 ] - [ 0.0002692900000000, -0.0003610100000000, -0.0004199400000000 ] - [ -0.0000342800000000, 0.0000245500000000, -0.0000845300000000 ] - [ -0.0004138300000000, 0.0003396600000000, -0.0021851700000000 ] - [ 0.0003406900000000, -0.0003465900000000, -0.0022002300000000 ] - [ -0.0000809300000000, 0.0003592800000000, -0.0005387000000000 ] - [ 0.0001804000000000, -0.0001592900000000, -0.0002306900000000 ] - [ -0.0003625000000000, 0.0000815700000000, -0.0001071900000000 ] - [ -0.0001568800000000, 0.0000113900000000, -0.0002497100000000 ] - [ 0.0003950400000000, 0.0002899800000000, -0.0005409700000000 ] - [ -0.0002342800000000, 0.0002677800000000, 0.0005053800000000 ] - [ 0.0005070600000000, -0.0005902700000000, 0.0004219300000000 ] - [ -0.0001202300000000, -0.0002937600000000, 0.0004294800000000 ] - [ -0.0002801000000000, 0.0000150700000000, 0.0007503400000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000764800000000, -0.0004532500000000, 0.0004690500000000 ] - [ 0.0000667700000000, -0.0003248400000000, 0.0004517600000000 ] - [ -0.0100990600000000, -0.0040633600000000, 0.0293272000000000 ] - [ 0.0002075200000000, 0.0001936000000000, -0.0000107500000000 ] - [ -0.0002158200000000, -0.0001573500000000, 0.0007312400000000 ] - [ -0.0000659200000000, -0.0005011100000000, 0.0021918700000000 ] - [ -0.0000454700000000, -0.0002288100000000, 0.0002897500000000 ] - [ 0.0000438200000000, -0.0003282600000000, 0.0002595200000000 ] - [ 0.0019356900000000, 0.0002225400000000, 0.0022668500000000 ] - [ 0.0001311300000000, -0.0000397000000000, 0.0003899500000000 ] - [ -0.0000083400000000, -0.0001284600000000, -0.0002562000000000 ] - [ -0.0015577500000000, -0.0000816200000000, -0.0012713000000000 ] - [ 0.0011906100000000, 0.0015178800000000, -0.0090133700000000 ] - [ 0.0000249500000000, -0.0000929800000000, -0.0000366900000000 ] - [ 0.0002787400000000, -0.0001156700000000, 0.0000293400000000 ] - [ 0.0001933600000000, 0.0001787400000000, -0.0001341100000000 ] - [ -0.0000893400000000, 0.0000456400000000, 0.0001453000000000 ] - [ 0.0001743700000000, -0.0001004800000000, 0.0001281200000000 ] - [ -0.0004029900000000, -0.0014614300000000, -0.0012155600000000 ] - [ -0.0000630900000000, -0.0000400800000000, -0.0006447800000000 ] - [ 0.0000137000000000, 0.0002951400000000, -0.0001265000000000 ] - [ -0.0000810200000000, 0.0003731500000000, 0.0001008700000000 ] - [ -0.0002600000000000, -0.0001041700000000, -0.0005356100000000 ] - [ 0.0000811700000000, -0.0000734500000000, -0.0004280000000000 ] - [ -0.0000115500000000, 0.0002266200000000, -0.0004646200000000 ] - [ 0.0000440300000000, 0.0000965200000000, -0.0002726700000000 ] - [ -0.0000011800000000, 0.0001605600000000, -0.0001655500000000 ] - [ -0.0000650500000000, 0.0003573600000000, -0.0003793800000000 ] - [ 0.0001295800000000, 0.0000577600000000, 0.0000759700000000 ] - [ -0.0000938800000000, 0.0000135700000000, 0.0000752800000000 ] - [ 0.0000939200000000, 0.0018309700000000, -0.0015538100000000 ] - [ 0.0001692700000000, -0.0003502900000000, -0.0002602400000000 ] - [ -0.0004060400000000, -0.0015955200000000, -0.0009135700000000 ] - [ 0.0003713000000000, 0.0005448600000000, -0.0002566800000000 ] - [ 0.0000988800000000, 0.0001383700000000, 0.0000745500000000 ] - [ -0.0022541200000000, -0.0006139500000000, -0.0010461700000000 ] - [ -0.0001470600000000, -0.0001279200000000, 0.0002016400000000 ] - [ -0.0003492300000000, 0.0003716700000000, 0.0002474500000000 ] - [ -0.0001305300000000, 0.0005153800000000, -0.0002549000000000 ] - [ 0.0042347400000000, 0.0003583300000000, -0.0032205900000000 ] - [ 0.0022319800000000, 0.0030154400000000, 0.0051881500000000 ] - [ -0.0004756900000000, -0.0017012900000000, 0.0035023700000000 ] - [ 0.0025376100000000, -0.0027117200000000, -0.0022386900000000 ] - [ -0.0000824100000000, -0.0007774500000000, -0.0002334100000000 ] - [ 0.0003635900000000, 0.0009018300000000, -0.0034158000000000 ] - [ -0.0000567400000000, 0.0008304700000000, -0.0003293700000000 ] - [ 0.0003885000000000, 0.0008910200000000, -0.0003103000000000 ] - [ -0.0003064100000000, 0.0009073400000000, -0.0001641000000000 ] - [ 0.0003031100000000, 0.0005740900000000, -0.0011947200000000 ] - [ 0.0026602000000000, 0.0042141400000000, -0.0093931700000000 ] - [ -0.0014397500000000, 0.0011699000000000, -0.0062881600000000 ] - [ -0.0000698900000000, 0.0001015700000000, -0.0004521000000000 ] - [ -0.0001905400000000, -0.0002544600000000, -0.0000659400000000 ] - [ -0.0003081100000000, 0.0005611500000000, -0.0005208500000000 ] - [ 0.0004275400000000, -0.0033256300000000, -0.0040951900000000 ] - [ 0.0006827700000000, 0.0000790000000000, -0.0007551400000000 ] - [ -0.0000069600000000, -0.0002571600000000, -0.0001998200000000 ] - [ -0.0008913900000000, 0.0005662700000000, -0.0003488000000000 ] - [ 0.0002179100000000, -0.0005492600000000, -0.0060690000000000 ] - [ 0.0003512100000000, -0.0004696400000000, -0.0001105500000000 ] - [ 0.0000572000000000, 0.0002366800000000, 0.0006275300000000 ] - [ 0.0005347700000000, 0.0009405900000000, 0.0010463000000000 ] - [ -0.0006004900000000, -0.0001733900000000, 0.0012235500000000 ] - [ 0.0000285100000000, 0.0001811000000000, 0.0004431100000000 ] - [ 0.0001665500000000, -0.0003180100000000, 0.0002805500000000 ] - [ -0.0000540900000000, -0.0002454400000000, 0.0021231300000000 ] - [ -0.0000001200000000, -0.0001178500000000, 0.0011869100000000 ] - [ 0.0000537300000000, -0.0002221500000000, 0.0000327600000000 ] - [ -0.0000804300000000, 0.0003050300000000, 0.0001312900000000 ] - [ 0.0005406400000000, -0.0000210000000000, 0.0022473600000000 ] - [ 0.0001877600000000, 0.0003653500000000, 0.0020850100000000 ] - [ -0.0004539500000000, -0.0003495500000000, 0.0004011500000000 ] - [ 0.0003561100000000, 0.0001711000000000, 0.0003637700000000 ] - [ -0.0001705700000000, -0.0000735100000000, 0.0002418800000000 ] - [ 0.0000464900000000, 0.0003189200000000, 0.0002011800000000 ] - [ -0.0002850500000000, 0.0000352300000000, 0.0004916500000000 ] - [ 0.0005577200000000, -0.0008520400000000, -0.0001194700000000 ] - [ -0.0008314200000000, 0.0000078700000000, -0.0000376400000000 ] - [ 0.0001442900000000, -0.0000812600000000, -0.0000725100000000 ] - [ 0.0002532100000000, -0.0003892200000000, -0.0003975900000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0014291800000000, -0.0005033900000000, 0.0002058700000000 ] - [ -0.0000660500000000, -0.0001972300000000, 0.0002585600000000 ] - [ 0.0009822900000000, -0.0014921000000000, -0.0000636100000000 ] - [ -0.0018953900000000, 0.0016130600000000, -0.0003482000000000 ] - [ -0.0361136400000000, -0.0053676900000000, 0.0064490300000000 ] - [ 0.0001809300000000, -0.0000610800000000, -0.0000712500000000 ] - [ 0.0031455900000000, 0.0042552300000000, 0.0003422600000000 ] - [ 0.0004407700000000, -0.0000304200000000, 0.0001742000000000 ] - [ 0.0006733500000000, -0.0001283800000000, 0.0000519300000000 ] - [ 0.0006327500000000, -0.0011810600000000, 0.0004369500000000 ] - [ 0.0000064200000000, 0.0002840800000000, -0.0005155300000000 ] - [ -0.0013146500000000, -0.0002844800000000, -0.0004980700000000 ] - [ 0.0004486000000000, -0.0005731700000000, -0.0004516700000000 ] - [ -0.0003353900000000, -0.0002697700000000, 0.0000082300000000 ] - [ 0.0001357000000000, -0.0001388200000000, 0.0000979600000000 ] - [ 0.0006298000000000, -0.0003081200000000, -0.0001167000000000 ] - [ -0.0001395200000000, 0.0003397900000000, 0.0004754200000000 ] - [ 0.0004744300000000, 0.0000374300000000, 0.0000014700000000 ] - [ -0.0001041500000000, -0.0005004700000000, -0.0002847400000000 ] - [ -0.0012549600000000, 0.0002325200000000, -0.0021563000000000 ] - [ 0.0003812000000000, 0.0004473700000000, 0.0002152200000000 ] - [ -0.0001076900000000, 0.0002575200000000, 0.0002782400000000 ] - [ -0.0000748200000000, 0.0000413200000000, -0.0002651900000000 ] - [ -0.0000592800000000, -0.0000084400000000, -0.0002353700000000 ] - [ -0.0004841300000000, 0.0001317900000000, -0.0001891700000000 ] - [ 0.0001411400000000, 0.0001489300000000, -0.0000417100000000 ] - [ -0.0000397100000000, 0.0001243800000000, -0.0000212500000000 ] - [ 0.0001656600000000, 0.0001733900000000, -0.0000113600000000 ] - [ 0.0001060100000000, 0.0001271900000000, 0.0001798100000000 ] - [ 0.0002329400000000, 0.0000469300000000, 0.0002889300000000 ] - [ 0.0001417900000000, 0.0000611500000000, -0.0001692300000000 ] - [ -0.0026721100000000, 0.0000349500000000, 0.0007287700000000 ] - [ 0.0006400600000000, 0.0001379200000000, 0.0009531700000000 ] - [ -0.0002294700000000, 0.0003510800000000, 0.0000768600000000 ] - [ 0.0000122900000000, -0.0001333000000000, -0.0001184600000000 ] - [ 0.0004386700000000, -0.0000599700000000, 0.0002506700000000 ] - [ 0.0015086300000000, -0.0004867800000000, -0.0019772600000000 ] - [ 0.0003823300000000, 0.0000282100000000, 0.0001796700000000 ] - [ 0.0001476700000000, 0.0008226300000000, 0.0001878100000000 ] - [ -0.0008771400000000, -0.0004042200000000, 0.0007057500000000 ] - [ 0.0187496600000000, 0.0037269900000000, -0.0030530500000000 ] - [ -0.0016491500000000, -0.0009108100000000, -0.0001623600000000 ] - [ 0.0006783100000000, -0.0007647500000000, -0.0002193800000000 ] - [ 0.0036235600000000, -0.0020009700000000, 0.0059861900000000 ] - [ 0.0003881900000000, 0.0005492800000000, -0.0000096900000000 ] - [ -0.0011472000000000, 0.0007746400000000, 0.0004230900000000 ] - [ 0.0017606300000000, 0.0026205600000000, -0.0018000000000000 ] - [ 0.0012721300000000, 0.0008223700000000, -0.0002266100000000 ] - [ 0.0020373900000000, -0.0013958900000000, -0.0012117600000000 ] - [ 0.0005900800000000, 0.0009432700000000, -0.0002591400000000 ] - [ -0.0026921900000000, 0.0017439000000000, -0.0014182600000000 ] - [ 0.0007467300000000, 0.0005340200000000, -0.0001625600000000 ] - [ -0.0024824900000000, -0.0016000600000000, 0.0016891400000000 ] - [ 0.0007580400000000, -0.0012245500000000, -0.0001791800000000 ] - [ 0.0050261900000000, -0.0010824700000000, -0.0009572800000000 ] - [ 0.0003070700000000, -0.0003784800000000, 0.0001360800000000 ] - [ -0.0020220300000000, -0.0003147500000000, -0.0010784600000000 ] - [ -0.0007419000000000, 0.0000913300000000, -0.0000609800000000 ] - [ -0.0008741400000000, 0.0004300500000000, 0.0002441400000000 ] - [ 0.0051246100000000, -0.0015871800000000, 0.0002586700000000 ] - [ 0.0008050200000000, -0.0002560300000000, -0.0006639000000000 ] - [ -0.0000822200000000, 0.0001212300000000, 0.0002406400000000 ] - [ -0.0003154100000000, -0.0000650900000000, 0.0003050000000000 ] - [ -0.0010426800000000, 0.0006978600000000, -0.0005600800000000 ] - [ 0.0005955300000000, -0.0005715200000000, 0.0001477500000000 ] - [ 0.0002010500000000, 0.0001537200000000, 0.0003013500000000 ] - [ -0.0007132600000000, -0.0002396300000000, 0.0000517100000000 ] - [ 0.0004711000000000, -0.0003087200000000, -0.0004629600000000 ] - [ 0.0006556100000000, 0.0007588900000000, 0.0005284400000000 ] - [ -0.0003779600000000, 0.0002976500000000, 0.0000534600000000 ] - [ 0.0006559500000000, 0.0004603600000000, -0.0007766100000000 ] - [ 0.0000155700000000, -0.0000965700000000, -0.0004746100000000 ] - [ -0.0005595900000000, 0.0003068200000000, 0.0004116000000000 ] - [ -0.0004535800000000, -0.0000219100000000, 0.0000552600000000 ] - [ -0.0008951300000000, -0.0002283600000000, -0.0003101400000000 ] - [ 0.0007604900000000, -0.0003744500000000, 0.0004584500000000 ] - [ -0.0005689900000000, -0.0003541500000000, -0.0001631600000000 ] - [ 0.0064022800000000, 0.0011095800000000, -0.0028836700000000 ] - [ -0.0017479700000000, 0.0007129200000000, 0.0008018300000000 ] - [ -0.0009693700000000, -0.0006470700000000, -0.0000106600000000 ]- atom: 5 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0011942300000000, -0.0002570200000000, 0.0002509900000000 ] - [ -0.0001651100000000, -0.0005623300000000, 0.0001982700000000 ] - [ -0.0012775800000000, 0.0015668500000000, -0.0003068500000000 ] - [ 0.0021972100000000, -0.0015227600000000, -0.0000279400000000 ] - [ 0.0364741100000000, 0.0050319600000000, -0.0066046100000000 ] - [ -0.0000002700000000, -0.0001688200000000, -0.0000183200000000 ] - [ -0.0031901800000000, -0.0045691300000000, -0.0003286800000000 ] - [ -0.0003831500000000, -0.0003387900000000, -0.0001638000000000 ] - [ -0.0008423500000000, 0.0000530800000000, 0.0004421300000000 ] - [ -0.0004652800000000, 0.0010917700000000, 0.0000621600000000 ] - [ 0.0001682100000000, -0.0003624200000000, 0.0000226800000000 ] - [ 0.0011402600000000, 0.0001979800000000, -0.0000074200000000 ] - [ -0.0005072000000000, 0.0002050300000000, 0.0004438200000000 ] - [ 0.0003971000000000, -0.0000981800000000, -0.0000196200000000 ] - [ 0.0000417500000000, -0.0000889700000000, -0.0000076400000000 ] - [ -0.0008077900000000, 0.0000796000000000, 0.0002095600000000 ] - [ -0.0001517700000000, -0.0002773000000000, -0.0000969100000000 ] - [ -0.0001875900000000, 0.0000216100000000, 0.0003759600000000 ] - [ -0.0001256500000000, -0.0002602400000000, -0.0001720300000000 ] - [ 0.0014981200000000, -0.0009866700000000, 0.0016829500000000 ] - [ -0.0001508500000000, 0.0003128200000000, 0.0002438500000000 ] - [ -0.0001248500000000, 0.0005011600000000, 0.0001785300000000 ] - [ -0.0002123200000000, -0.0001019600000000, -0.0001107900000000 ] - [ 0.0003470600000000, -0.0000528800000000, -0.0001401700000000 ] - [ 0.0003043100000000, 0.0000982500000000, 0.0000998700000000 ] - [ 0.0000400600000000, 0.0000802800000000, -0.0000480200000000 ] - [ -0.0000225400000000, 0.0002467200000000, 0.0000325100000000 ] - [ -0.0001061700000000, 0.0001949000000000, 0.0000214000000000 ] - [ 0.0000653100000000, -0.0000517500000000, 0.0003162600000000 ] - [ -0.0004052700000000, 0.0000306300000000, 0.0002067800000000 ] - [ 0.0000281300000000, 0.0000188600000000, -0.0003257200000000 ] - [ 0.0025091900000000, 0.0000492900000000, -0.0011853300000000 ] - [ -0.0006993600000000, 0.0002244900000000, -0.0009707900000000 ] - [ 0.0002881700000000, 0.0000157500000000, -0.0000881900000000 ] - [ 0.0001641500000000, 0.0003620900000000, 0.0002081700000000 ] - [ -0.0006211900000000, 0.0002922200000000, -0.0001636800000000 ] - [ -0.0017898500000000, 0.0004238100000000, 0.0023259100000000 ] - [ -0.0000951500000000, -0.0000913300000000, 0.0001956900000000 ] - [ -0.0003768300000000, -0.0000632300000000, -0.0006448200000000 ] - [ 0.0011155200000000, 0.0011586300000000, -0.0011593000000000 ] - [ -0.0187464400000000, -0.0054755900000000, 0.0032867800000000 ] - [ 0.0014141900000000, -0.0007703600000000, 0.0003420500000000 ] - [ -0.0009126000000000, -0.0009199500000000, 0.0000388200000000 ] - [ -0.0034023800000000, 0.0002939900000000, -0.0061188500000000 ] - [ -0.0001491700000000, 0.0011314400000000, 0.0001858700000000 ] - [ 0.0009096100000000, 0.0009076500000000, -0.0002431800000000 ] - [ -0.0015348200000000, -0.0009357700000000, 0.0016197100000000 ] - [ -0.0015028300000000, 0.0008557300000000, 0.0000367100000000 ] - [ -0.0022364900000000, 0.0016690900000000, 0.0007664300000000 ] - [ -0.0005651900000000, -0.0005698500000000, -0.0000944300000000 ] - [ 0.0023901100000000, -0.0011813900000000, 0.0010451000000000 ] - [ -0.0004316000000000, 0.0000373600000000, -0.0002206200000000 ] - [ 0.0026129700000000, 0.0012905600000000, -0.0016631300000000 ] - [ -0.0008692200000000, 0.0008997400000000, 0.0002240500000000 ] - [ -0.0047869300000000, 0.0012032400000000, 0.0010379000000000 ] - [ -0.0008380800000000, 0.0003594200000000, -0.0002760200000000 ] - [ 0.0025373700000000, 0.0002952800000000, 0.0011964100000000 ] - [ 0.0002161600000000, -0.0001071200000000, 0.0001996300000000 ] - [ 0.0007535700000000, -0.0007541800000000, -0.0002889400000000 ] - [ -0.0049791500000000, 0.0012016200000000, -0.0002416400000000 ] - [ -0.0011116400000000, 0.0008277900000000, 0.0010472600000000 ] - [ 0.0003963800000000, 0.0004543000000000, 0.0001420800000000 ] - [ 0.0003471700000000, 0.0004401700000000, 0.0000454500000000 ] - [ 0.0010126400000000, -0.0003207800000000, 0.0009075100000000 ] - [ -0.0005694900000000, 0.0001958400000000, -0.0005006700000000 ] - [ -0.0002313500000000, -0.0005266900000000, -0.0006530300000000 ] - [ 0.0003958600000000, -0.0003342700000000, -0.0004335400000000 ] - [ -0.0001565400000000, -0.0002654800000000, 0.0000819800000000 ] - [ -0.0007684500000000, -0.0004351800000000, -0.0004847800000000 ] - [ 0.0004936300000000, 0.0000280100000000, -0.0000083500000000 ] - [ -0.0001312900000000, -0.0004428500000000, 0.0006389900000000 ] - [ -0.0005450300000000, 0.0001135200000000, 0.0003343900000000 ] - [ 0.0010932400000000, -0.0002955300000000, -0.0002731900000000 ] - [ -0.0000719300000000, 0.0000434400000000, 0.0000865200000000 ] - [ 0.0007734900000000, 0.0005523700000000, 0.0002664000000000 ] - [ -0.0006470900000000, 0.0007023100000000, -0.0005045300000000 ] - [ 0.0008798800000000, -0.0002190000000000, 0.0005469500000000 ] - [ -0.0066259500000000, -0.0015475900000000, 0.0030670200000000 ] - [ 0.0017668600000000, -0.0010757900000000, -0.0004391300000000 ] - [ 0.0009444000000000, 0.0002704600000000, 0.0003731600000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000595200000000, -0.0006557900000000, 0.0002796800000000 ] - [ -0.0000248900000000, 0.0000671900000000, 0.0001268200000000 ] - [ -0.0017091800000000, 0.0007126600000000, -0.0001398400000000 ] - [ 0.0020059600000000, 0.0088470000000000, 0.0001795000000000 ] - [ -0.0053731800000000, -0.0281722700000000, 0.0079023300000000 ] - [ 0.0000352200000000, 0.0001693700000000, 0.0000457500000000 ] - [ 0.0044537700000000, 0.0019307300000000, 0.0003852600000000 ] - [ -0.0000411100000000, -0.0000717100000000, -0.0000488900000000 ] - [ 0.0000291700000000, -0.0001349500000000, 0.0003029700000000 ] - [ -0.0010505000000000, 0.0012302000000000, 0.0000730000000000 ] - [ 0.0002896300000000, 0.0000581600000000, -0.0003553400000000 ] - [ -0.0004482100000000, 0.0011390400000000, 0.0022432200000000 ] - [ -0.0003132600000000, -0.0000280100000000, 0.0001507700000000 ] - [ 0.0001726300000000, 0.0005399100000000, -0.0005868300000000 ] - [ 0.0001155800000000, 0.0003191100000000, 0.0001451000000000 ] - [ -0.0002835800000000, -0.0002974300000000, 0.0000444900000000 ] - [ 0.0001198100000000, -0.0001415200000000, 0.0004836100000000 ] - [ 0.0000577200000000, 0.0001312700000000, 0.0001859600000000 ] - [ -0.0001236300000000, -0.0001843500000000, -0.0002377100000000 ] - [ 0.0007512900000000, -0.0018714100000000, -0.0015643600000000 ] - [ 0.0001572500000000, 0.0003676600000000, 0.0001318500000000 ] - [ -0.0001719800000000, 0.0004836400000000, 0.0001783300000000 ] - [ -0.0001416600000000, -0.0002757500000000, -0.0000741700000000 ] - [ 0.0001052200000000, 0.0002038500000000, -0.0002042800000000 ] - [ -0.0001060900000000, 0.0000173500000000, -0.0001793700000000 ] - [ 0.0001248200000000, 0.0002187600000000, -0.0000150400000000 ] - [ -0.0000160500000000, -0.0001153700000000, -0.0002593900000000 ] - [ 0.0000385400000000, 0.0003218100000000, 0.0000073800000000 ] - [ 0.0001062300000000, 0.0002873400000000, 0.0001805800000000 ] - [ -0.0000740800000000, -0.0001812400000000, 0.0001941900000000 ] - [ -0.0000152500000000, 0.0002706900000000, -0.0003523500000000 ] - [ -0.0000104000000000, -0.0023007400000000, 0.0015176400000000 ] - [ 0.0000569300000000, -0.0002945800000000, 0.0001273100000000 ] - [ 0.0000980500000000, 0.0005910400000000, -0.0000355000000000 ] - [ -0.0001556800000000, 0.0005150400000000, 0.0003669900000000 ] - [ 0.0000854600000000, -0.0000000900000000, 0.0000635600000000 ] - [ -0.0007742400000000, -0.0010262300000000, 0.0009137100000000 ] - [ 0.0002122300000000, 0.0002063900000000, 0.0001630600000000 ] - [ 0.0001446400000000, 0.0007976200000000, 0.0000272200000000 ] - [ -0.0005066600000000, 0.0016364600000000, -0.0025268500000000 ] - [ 0.0045011500000000, -0.0055964200000000, -0.0024706600000000 ] - [ -0.0005574500000000, 0.0026690200000000, 0.0000600300000000 ] - [ -0.0000740600000000, -0.0004220500000000, -0.0000315000000000 ] - [ -0.0027487200000000, -0.0045378000000000, -0.0024765000000000 ] - [ -0.0000927400000000, 0.0008467000000000, 0.0001048200000000 ] - [ -0.0000277700000000, 0.0012023700000000, 0.0001258600000000 ] - [ 0.0019413100000000, 0.0024913400000000, -0.0019348800000000 ] - [ -0.0001461900000000, 0.0011155700000000, 0.0001414000000000 ] - [ -0.0035567300000000, 0.0039251200000000, -0.0002975000000000 ] - [ 0.0003587400000000, -0.0013692600000000, -0.0001259400000000 ] - [ -0.0003396400000000, 0.0012199400000000, -0.0004200500000000 ] - [ -0.0000418500000000, -0.0017072300000000, -0.0000009500000000 ] - [ -0.0000724100000000, -0.0002227500000000, 0.0001983800000000 ] - [ -0.0003147500000000, -0.0025413700000000, -0.0005659900000000 ] - [ 0.0011464600000000, 0.0063810100000000, 0.0007583500000000 ] - [ -0.0001969000000000, -0.0015693600000000, -0.0001834300000000 ] - [ 0.0003623000000000, 0.0014587900000000, -0.0009940400000000 ] - [ -0.0000422800000000, -0.0006816000000000, 0.0001722700000000 ] - [ 0.0001854900000000, -0.0004494900000000, -0.0001881000000000 ] - [ 0.0008382900000000, 0.0070885400000000, -0.0000444400000000 ] - [ -0.0010990200000000, 0.0018091200000000, 0.0002940100000000 ] - [ 0.0000599000000000, 0.0000192100000000, 0.0001239700000000 ] - [ -0.0001671100000000, 0.0000303600000000, 0.0002114900000000 ] - [ 0.0006039800000000, 0.0000648800000000, 0.0008506300000000 ] - [ -0.0003378500000000, -0.0000913400000000, 0.0002263600000000 ] - [ 0.0001632100000000, -0.0004196400000000, -0.0004370200000000 ] - [ 0.0000190800000000, -0.0001066100000000, -0.0002550900000000 ] - [ 0.0002332000000000, -0.0008452200000000, -0.0000505600000000 ] - [ 0.0001609700000000, 0.0004707500000000, -0.0006120700000000 ] - [ 0.0000419400000000, 0.0000033600000000, 0.0000722000000000 ] - [ 0.0005947600000000, 0.0006002300000000, 0.0001796500000000 ] - [ -0.0003557200000000, -0.0005497000000000, -0.0000651500000000 ] - [ -0.0003727800000000, 0.0006667400000000, 0.0005863300000000 ] - [ -0.0003856800000000, -0.0004291500000000, -0.0000066300000000 ] - [ -0.0002875000000000, 0.0002787600000000, -0.0002853500000000 ] - [ 0.0003866100000000, -0.0004364800000000, 0.0005116900000000 ] - [ 0.0001711200000000, -0.0007656500000000, 0.0002428000000000 ] - [ 0.0013620400000000, 0.0059948500000000, -0.0028635200000000 ] - [ 0.0009399200000000, -0.0002670500000000, -0.0003477700000000 ] - [ -0.0007333500000000, -0.0006393600000000, -0.0000434500000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001706400000000, -0.0001031900000000, 0.0001805900000000 ] - [ -0.0002009300000000, -0.0008265900000000, 0.0003313400000000 ] - [ 0.0014053500000000, -0.0006504200000000, -0.0002293200000000 ] - [ -0.0017493900000000, -0.0089179100000000, -0.0005582200000000 ] - [ 0.0050224800000000, 0.0283026700000000, -0.0080936100000000 ] - [ 0.0001429600000000, -0.0003997700000000, -0.0001350700000000 ] - [ -0.0044667800000000, -0.0022985300000000, -0.0003714100000000 ] - [ 0.0000986600000000, -0.0002929700000000, 0.0000623500000000 ] - [ -0.0001989700000000, 0.0000528200000000, 0.0001917900000000 ] - [ 0.0012347200000000, -0.0013167300000000, 0.0004302700000000 ] - [ -0.0001180000000000, -0.0001340000000000, -0.0001378300000000 ] - [ 0.0002688400000000, -0.0012162100000000, -0.0027129300000000 ] - [ 0.0002548200000000, -0.0003426900000000, -0.0001617000000000 ] - [ -0.0001086100000000, -0.0009084700000000, 0.0005815200000000 ] - [ 0.0000659700000000, -0.0005466600000000, -0.0000515600000000 ] - [ 0.0001043100000000, 0.0000662700000000, 0.0000459700000000 ] - [ -0.0004053200000000, 0.0001998800000000, -0.0001075100000000 ] - [ 0.0002305100000000, -0.0000683700000000, 0.0001877300000000 ] - [ -0.0001080200000000, -0.0005764600000000, -0.0002195400000000 ] - [ -0.0005135400000000, 0.0011224900000000, 0.0010865100000000 ] - [ 0.0000737400000000, 0.0003911600000000, 0.0003284800000000 ] - [ -0.0000583400000000, 0.0002765100000000, 0.0002802900000000 ] - [ -0.0001459300000000, 0.0002134900000000, -0.0002988000000000 ] - [ 0.0001835300000000, -0.0002655200000000, -0.0001673300000000 ] - [ -0.0000730200000000, 0.0002117700000000, 0.0000898700000000 ] - [ 0.0000563100000000, 0.0000124300000000, -0.0000746600000000 ] - [ -0.0000427200000000, 0.0004845700000000, 0.0002724900000000 ] - [ 0.0000198800000000, 0.0000458600000000, 0.0000050000000000 ] - [ 0.0000689900000000, -0.0002107700000000, 0.0003157600000000 ] - [ -0.0000988200000000, 0.0002583300000000, 0.0003008300000000 ] - [ 0.0001843200000000, -0.0001895700000000, -0.0001436500000000 ] - [ -0.0001590400000000, 0.0023976600000000, -0.0019773500000000 ] - [ -0.0001104300000000, 0.0006579500000000, -0.0001373200000000 ] - [ -0.0000390200000000, -0.0002249100000000, 0.0000185700000000 ] - [ 0.0003394200000000, -0.0002853000000000, -0.0002803900000000 ] - [ -0.0002669200000000, 0.0002302700000000, 0.0000265500000000 ] - [ 0.0004802700000000, 0.0009720600000000, -0.0005360900000000 ] - [ 0.0000760400000000, -0.0002698400000000, 0.0002094200000000 ] - [ -0.0003770600000000, -0.0000367200000000, -0.0004879200000000 ] - [ 0.0007349000000000, -0.0008756200000000, 0.0020426900000000 ] - [ -0.0042180000000000, 0.0039516700000000, 0.0026448200000000 ] - [ 0.0003146600000000, -0.0043296000000000, 0.0001208500000000 ] - [ -0.0001558300000000, -0.0012590300000000, -0.0001418200000000 ] - [ 0.0029577200000000, 0.0028556500000000, 0.0022788900000000 ] - [ 0.0003241200000000, 0.0008351600000000, 0.0000723900000000 ] - [ -0.0002046600000000, 0.0004775100000000, 0.0000481000000000 ] - [ -0.0017065900000000, -0.0008200200000000, 0.0017575400000000 ] - [ -0.0000925200000000, 0.0005713400000000, -0.0003243100000000 ] - [ 0.0034502100000000, -0.0036451500000000, -0.0001101000000000 ] - [ -0.0003219300000000, 0.0017315900000000, -0.0002214400000000 ] - [ 0.0000220000000000, -0.0006416200000000, 0.0000368000000000 ] - [ 0.0003499400000000, 0.0022884100000000, -0.0003747200000000 ] - [ 0.0001875100000000, -0.0001082200000000, -0.0001519300000000 ] - [ 0.0001891500000000, 0.0021951300000000, 0.0005998600000000 ] - [ -0.0006938200000000, -0.0063686500000000, -0.0008452500000000 ] - [ -0.0003223200000000, 0.0015523900000000, 0.0000392900000000 ] - [ 0.0001675100000000, -0.0014707400000000, 0.0011326900000000 ] - [ -0.0004871900000000, 0.0006612800000000, -0.0000363300000000 ] - [ -0.0003016900000000, 0.0001272300000000, 0.0001440800000000 ] - [ -0.0005741700000000, -0.0077167500000000, 0.0002619700000000 ] - [ 0.0007834000000000, -0.0012285300000000, 0.0000908900000000 ] - [ 0.0002575200000000, 0.0005544300000000, 0.0002568700000000 ] - [ 0.0001950000000000, 0.0003451400000000, 0.0001411200000000 ] - [ -0.0006299400000000, 0.0003083600000000, -0.0004936000000000 ] - [ 0.0003671100000000, -0.0002861600000000, -0.0005804200000000 ] - [ -0.0001892500000000, 0.0000473400000000, 0.0000815600000000 ] - [ -0.0003334200000000, -0.0004663300000000, -0.0001231300000000 ] - [ 0.0000811900000000, 0.0002682500000000, -0.0003289600000000 ] - [ -0.0002777400000000, -0.0001473800000000, 0.0006611500000000 ] - [ 0.0000781500000000, 0.0003227000000000, -0.0000283500000000 ] - [ -0.0000688300000000, -0.0005808000000000, -0.0003174800000000 ] - [ -0.0001701800000000, 0.0005645100000000, -0.0000698600000000 ] - [ 0.0009028800000000, -0.0006520500000000, -0.0004501400000000 ] - [ -0.0001421200000000, 0.0004463900000000, 0.0001445500000000 ] - [ 0.0001684800000000, 0.0000450400000000, 0.0002410900000000 ] - [ -0.0002739700000000, 0.0007666700000000, -0.0005560300000000 ] - [ 0.0001459000000000, 0.0001877200000000, 0.0001382500000000 ] - [ -0.0015435400000000, -0.0064783100000000, 0.0030484700000000 ] - [ -0.0009152400000000, -0.0001109700000000, 0.0007023100000000 ] - [ 0.0007046900000000, 0.0002674400000000, 0.0004045400000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000605300000000, -0.0003750500000000, -0.0002044200000000 ] - [ -0.0000468800000000, -0.0005165200000000, -0.0000855600000000 ] - [ 0.0000767400000000, 0.0000199800000000, -0.0009613900000000 ] - [ 0.0000886300000000, 0.0006265800000000, -0.0024229400000000 ] - [ 0.0063407700000000, 0.0078198600000000, -0.0377446900000000 ] - [ 0.0001170200000000, -0.0000242000000000, -0.0002708800000000 ] - [ 0.0005644200000000, 0.0004044000000000, -0.0019814200000000 ] - [ 0.0000861300000000, -0.0002114200000000, -0.0002268900000000 ] - [ -0.0001791400000000, 0.0000882600000000, -0.0000663000000000 ] - [ 0.0002777800000000, -0.0001830100000000, -0.0004277800000000 ] - [ -0.0000612800000000, -0.0001913500000000, -0.0002515700000000 ] - [ -0.0005053200000000, 0.0023721500000000, 0.0015726600000000 ] - [ -0.0003549900000000, 0.0000200600000000, 0.0003314700000000 ] - [ -0.0001414400000000, -0.0008193400000000, 0.0004055400000000 ] - [ 0.0001423900000000, -0.0002118300000000, 0.0002134500000000 ] - [ 0.0000742600000000, -0.0001135200000000, 0.0001424500000000 ] - [ 0.0001573000000000, 0.0004497500000000, 0.0003648800000000 ] - [ 0.0002827700000000, -0.0001044300000000, 0.0002019600000000 ] - [ -0.0001366000000000, -0.0003210900000000, -0.0001545400000000 ] - [ -0.0020153300000000, -0.0017826400000000, 0.0061748600000000 ] - [ 0.0000997500000000, 0.0004242500000000, 0.0005466900000000 ] - [ -0.0002351300000000, 0.0003172600000000, 0.0005812300000000 ] - [ -0.0001691700000000, 0.0000483000000000, 0.0002307000000000 ] - [ 0.0001857400000000, -0.0000543500000000, 0.0000392200000000 ] - [ -0.0002345400000000, 0.0002512100000000, 0.0007494200000000 ] - [ 0.0000867400000000, 0.0000854300000000, 0.0001588100000000 ] - [ -0.0000561500000000, 0.0001311600000000, 0.0008532100000000 ] - [ 0.0000189600000000, 0.0001404900000000, 0.0001753600000000 ] - [ 0.0000613600000000, -0.0000890000000000, 0.0005114900000000 ] - [ -0.0000439600000000, 0.0001461500000000, 0.0005505600000000 ] - [ 0.0001208200000000, 0.0000559200000000, -0.0002157000000000 ] - [ 0.0009120600000000, 0.0016515400000000, 0.0093111200000000 ] - [ 0.0008430500000000, 0.0001599500000000, 0.0003278000000000 ] - [ 0.0000489300000000, 0.0000419800000000, -0.0000335100000000 ] - [ -0.0000722100000000, 0.0004380700000000, 0.0000096900000000 ] - [ -0.0002971100000000, 0.0001344700000000, -0.0000337500000000 ] - [ -0.0022111600000000, 0.0004723700000000, 0.0012774600000000 ] - [ 0.0000511800000000, -0.0001202400000000, 0.0001581500000000 ] - [ 0.0001074900000000, 0.0006643900000000, 0.0000022300000000 ] - [ 0.0008366200000000, -0.0017793300000000, 0.0012622600000000 ] - [ -0.0022124600000000, -0.0031748300000000, -0.0060043600000000 ] - [ -0.0004457000000000, -0.0008084100000000, -0.0012571000000000 ] - [ -0.0000762000000000, -0.0008112600000000, 0.0000493500000000 ] - [ 0.0066176800000000, -0.0014916300000000, 0.0043300500000000 ] - [ 0.0004413600000000, 0.0005172400000000, 0.0010584000000000 ] - [ 0.0004372200000000, 0.0011874400000000, 0.0017790200000000 ] - [ -0.0023025500000000, -0.0014640100000000, 0.0020613100000000 ] - [ -0.0001129500000000, 0.0009274200000000, 0.0000863400000000 ] - [ -0.0037223500000000, -0.0007706900000000, 0.0048641700000000 ] - [ -0.0000984100000000, 0.0008126100000000, 0.0005605000000000 ] - [ -0.0000692100000000, 0.0000796400000000, 0.0007449200000000 ] - [ 0.0001518000000000, 0.0002117000000000, 0.0005757200000000 ] - [ -0.0000208900000000, -0.0000581400000000, 0.0001814400000000 ] - [ -0.0001611200000000, -0.0012612100000000, 0.0006258600000000 ] - [ 0.0014267700000000, 0.0014146900000000, 0.0060705300000000 ] - [ -0.0000402700000000, 0.0003154600000000, 0.0003106800000000 ] - [ -0.0010196300000000, -0.0008374800000000, 0.0008280300000000 ] - [ -0.0006046700000000, 0.0002830500000000, 0.0002436200000000 ] - [ 0.0002074700000000, -0.0005283400000000, 0.0001282100000000 ] - [ -0.0002687600000000, -0.0023204700000000, 0.0054380800000000 ] - [ -0.0009189200000000, -0.0002316500000000, -0.0024238300000000 ] - [ 0.0001049100000000, 0.0003172900000000, 0.0000080900000000 ] - [ 0.0000286200000000, 0.0001390500000000, -0.0002594200000000 ] - [ -0.0010298500000000, 0.0007460300000000, -0.0012968900000000 ] - [ 0.0000764300000000, 0.0004739600000000, -0.0014506800000000 ] - [ 0.0004028000000000, -0.0003912500000000, -0.0010773600000000 ] - [ -0.0003152300000000, -0.0005556400000000, -0.0008251000000000 ] - [ 0.0003416000000000, -0.0002647200000000, -0.0008856100000000 ] - [ 0.0001137200000000, -0.0009189600000000, -0.0018666500000000 ] - [ 0.0001670200000000, 0.0001832300000000, -0.0000914800000000 ] - [ -0.0007851900000000, 0.0006882800000000, -0.0017684500000000 ] - [ -0.0002526900000000, -0.0000363100000000, -0.0004089200000000 ] - [ 0.0010629700000000, -0.0005879100000000, -0.0009017300000000 ] - [ -0.0001922200000000, 0.0000729900000000, -0.0001470200000000 ] - [ -0.0002891700000000, 0.0000714100000000, -0.0004562500000000 ] - [ -0.0004866400000000, 0.0008069900000000, -0.0009582000000000 ] - [ -0.0000061800000000, -0.0004161200000000, 0.0002877000000000 ] - [ -0.0022379500000000, -0.0021311300000000, 0.0089193500000000 ] - [ 0.0003973600000000, -0.0005511200000000, 0.0007063100000000 ] - [ 0.0008104200000000, 0.0002961400000000, 0.0011500900000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001701600000000, -0.0003841700000000, 0.0006611300000000 ] - [ -0.0001834500000000, -0.0002437700000000, 0.0005417600000000 ] - [ -0.0003607700000000, 0.0000381700000000, 0.0005883700000000 ] - [ 0.0002048100000000, -0.0005308200000000, 0.0020526400000000 ] - [ -0.0067102600000000, -0.0081681100000000, 0.0379630100000000 ] - [ 0.0000638100000000, -0.0002050100000000, 0.0001790400000000 ] - [ -0.0006415200000000, -0.0007884700000000, 0.0019838900000000 ] - [ -0.0000284600000000, -0.0001540400000000, 0.0002367400000000 ] - [ 0.0000091500000000, -0.0001687600000000, 0.0005592100000000 ] - [ -0.0001108100000000, 0.0001074300000000, 0.0009227200000000 ] - [ 0.0002330600000000, 0.0001140200000000, -0.0002452200000000 ] - [ 0.0003236700000000, -0.0024210100000000, -0.0020582800000000 ] - [ 0.0002949900000000, -0.0003885800000000, -0.0003443800000000 ] - [ 0.0002042100000000, 0.0004466600000000, -0.0004184600000000 ] - [ 0.0000371100000000, -0.0000159300000000, -0.0001244100000000 ] - [ -0.0002532100000000, -0.0001158800000000, -0.0000545600000000 ] - [ -0.0004421300000000, -0.0003856600000000, 0.0000083600000000 ] - [ 0.0000064400000000, 0.0001657000000000, 0.0001715600000000 ] - [ -0.0000943500000000, -0.0004389900000000, -0.0003047100000000 ] - [ 0.0022085800000000, 0.0009964500000000, -0.0065398100000000 ] - [ 0.0001319900000000, 0.0003374800000000, -0.0000893200000000 ] - [ 0.0000047300000000, 0.0004413800000000, -0.0001261600000000 ] - [ -0.0001212400000000, -0.0001103900000000, -0.0006071600000000 ] - [ 0.0001026200000000, -0.0000057900000000, -0.0004159000000000 ] - [ 0.0000539600000000, -0.0000179100000000, -0.0008395200000000 ] - [ 0.0000927900000000, 0.0001440900000000, -0.0002507800000000 ] - [ -0.0000006400000000, 0.0002384100000000, -0.0008429100000000 ] - [ 0.0000398200000000, 0.0002278300000000, -0.0001661100000000 ] - [ 0.0001134200000000, 0.0001652500000000, -0.0000168500000000 ] - [ -0.0001279600000000, -0.0000688500000000, -0.0000567300000000 ] - [ 0.0000491400000000, 0.0000246500000000, -0.0002779100000000 ] - [ -0.0011014000000000, -0.0016015600000000, -0.0099512000000000 ] - [ -0.0009070900000000, 0.0002027500000000, -0.0003394200000000 ] - [ 0.0000086200000000, 0.0003244400000000, 0.0000224100000000 ] - [ 0.0002545900000000, -0.0002095000000000, 0.0000815100000000 ] - [ 0.0001156400000000, 0.0000968800000000, 0.0001234800000000 ] - [ 0.0019416000000000, -0.0005333500000000, -0.0009049500000000 ] - [ 0.0002369000000000, 0.0000574600000000, 0.0002158400000000 ] - [ -0.0003392300000000, 0.0000950200000000, -0.0004586700000000 ] - [ -0.0006087400000000, 0.0025635300000000, -0.0017271000000000 ] - [ 0.0025030700000000, 0.0015158900000000, 0.0061615700000000 ] - [ 0.0002120400000000, -0.0008688900000000, 0.0014291000000000 ] - [ -0.0001572500000000, -0.0008737200000000, -0.0002323500000000 ] - [ -0.0063303700000000, -0.0002191200000000, -0.0045022100000000 ] - [ -0.0002197900000000, 0.0011667100000000, -0.0008843500000000 ] - [ -0.0006782600000000, 0.0004777000000000, -0.0016066600000000 ] - [ 0.0025447100000000, 0.0031582800000000, -0.0022346600000000 ] - [ -0.0001227400000000, 0.0007534800000000, -0.0002676200000000 ] - [ 0.0036264300000000, 0.0010887800000000, -0.0053055500000000 ] - [ 0.0001223400000000, -0.0004417100000000, -0.0009258700000000 ] - [ -0.0002544100000000, 0.0005029900000000, -0.0011353500000000 ] - [ 0.0001685600000000, 0.0003647600000000, -0.0009626100000000 ] - [ 0.0001246300000000, -0.0002761100000000, -0.0001278600000000 ] - [ 0.0000527300000000, 0.0009281200000000, -0.0005703900000000 ] - [ -0.0010601000000000, -0.0013524400000000, -0.0060737800000000 ] - [ -0.0004930200000000, -0.0003268700000000, -0.0004426800000000 ] - [ 0.0015500900000000, 0.0008242500000000, -0.0006883600000000 ] - [ 0.0000728600000000, -0.0002936300000000, -0.0001112000000000 ] - [ -0.0003164200000000, 0.0002001700000000, -0.0001781600000000 ] - [ 0.0004795600000000, 0.0017803400000000, -0.0053143000000000 ] - [ 0.0005764300000000, 0.0008112700000000, 0.0027883300000000 ] - [ 0.0002203400000000, 0.0002653600000000, 0.0003801200000000 ] - [ -0.0000042500000000, 0.0002326300000000, 0.0006194900000000 ] - [ 0.0009988500000000, -0.0003704700000000, 0.0016530900000000 ] - [ -0.0000485800000000, -0.0008403300000000, 0.0010865800000000 ] - [ -0.0004252800000000, 0.0000177100000000, 0.0007170700000000 ] - [ -0.0000051300000000, -0.0000231100000000, 0.0004414500000000 ] - [ -0.0000212100000000, -0.0003130300000000, 0.0005028300000000 ] - [ -0.0002269000000000, 0.0012611800000000, 0.0019276700000000 ] - [ -0.0000542000000000, 0.0001456000000000, 0.0001367000000000 ] - [ 0.0013310000000000, -0.0006864700000000, 0.0016467200000000 ] - [ -0.0002766300000000, 0.0000498800000000, 0.0002701700000000 ] - [ -0.0005280400000000, 0.0005908900000000, 0.0010282100000000 ] - [ -0.0003410000000000, -0.0000601900000000, 0.0002784600000000 ] - [ 0.0001821400000000, 0.0002607700000000, 0.0004019500000000 ] - [ 0.0005890100000000, -0.0004760600000000, 0.0009030200000000 ] - [ 0.0003290200000000, -0.0001663700000000, 0.0000977600000000 ] - [ 0.0022148900000000, 0.0018500700000000, -0.0089199900000000 ] - [ -0.0003723600000000, 0.0001788300000000, -0.0003492800000000 ] - [ -0.0008332900000000, -0.0006681800000000, -0.0007882400000000 ]- atom: 7 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0015647400000000, -0.0025823400000000, 0.0001204800000000 ] - [ -0.0020149000000000, 0.0016722400000000, 0.0002588900000000 ] - [ 0.0006402200000000, 0.0000179900000000, -0.0001733300000000 ] - [ 0.0001816600000000, 0.0000103400000000, -0.0001738000000000 ] - [ 0.0030700800000000, 0.0043165700000000, 0.0005536500000000 ] - [ 0.0005031700000000, -0.0000456700000000, -0.0001024600000000 ] - [ -0.0333231100000000, 0.0043732100000000, -0.0027488600000000 ] - [ 0.0001446800000000, -0.0001801500000000, 0.0000277900000000 ] - [ 0.0091044900000000, 0.0008685400000000, 0.0007914100000000 ] - [ -0.0002483200000000, -0.0001687100000000, 0.0002387400000000 ] - [ 0.0002886700000000, -0.0000592200000000, -0.0003164600000000 ] - [ 0.0015967900000000, -0.0004000700000000, -0.0026921700000000 ] - [ 0.0004042600000000, -0.0003217400000000, -0.0000200600000000 ] - [ -0.0000020400000000, -0.0003481700000000, -0.0001257700000000 ] - [ -0.0002760600000000, -0.0002582300000000, -0.0001283700000000 ] - [ 0.0003861300000000, -0.0004012800000000, 0.0003713700000000 ] - [ -0.0022701900000000, 0.0003997000000000, 0.0014045600000000 ] - [ 0.0002010800000000, -0.0000338700000000, 0.0001949000000000 ] - [ 0.0001803700000000, -0.0003396200000000, -0.0002763200000000 ] - [ 0.0001039900000000, -0.0001158900000000, -0.0005171100000000 ] - [ 0.0001665000000000, 0.0004320200000000, 0.0003399400000000 ] - [ -0.0002645800000000, 0.0003483900000000, 0.0002917500000000 ] - [ -0.0000180600000000, -0.0000137500000000, -0.0002174700000000 ] - [ 0.0001890500000000, -0.0000606000000000, -0.0002835400000000 ] - [ -0.0000980700000000, 0.0001029800000000, -0.0000721000000000 ] - [ 0.0002281700000000, 0.0001259900000000, -0.0000344500000000 ] - [ -0.0002550200000000, 0.0001920700000000, 0.0002034800000000 ] - [ 0.0000675100000000, 0.0001768500000000, 0.0000013400000000 ] - [ -0.0000885100000000, 0.0000196000000000, 0.0001725000000000 ] - [ -0.0000224200000000, 0.0000192100000000, 0.0003041300000000 ] - [ 0.0003459900000000, 0.0000107400000000, -0.0001560300000000 ] - [ 0.0001644600000000, 0.0002637900000000, 0.0000634000000000 ] - [ 0.0001947600000000, 0.0001426000000000, -0.0000320000000000 ] - [ -0.0000270000000000, 0.0000619200000000, 0.0002319100000000 ] - [ -0.0001673900000000, 0.0001855900000000, 0.0000649200000000 ] - [ 0.0005800100000000, 0.0000353100000000, -0.0008356100000000 ] - [ -0.0009122500000000, -0.0002243500000000, -0.0001843600000000 ] - [ 0.0004466600000000, 0.0002665500000000, -0.0001546800000000 ] - [ 0.0000411100000000, 0.0003599300000000, -0.0001602000000000 ] - [ 0.0007668500000000, 0.0003207500000000, 0.0007149600000000 ] - [ 0.0019667500000000, -0.0006722200000000, 0.0006056500000000 ] - [ 0.0033246700000000, -0.0057545600000000, 0.0005938900000000 ] - [ 0.0001237100000000, 0.0002749100000000, 0.0008491700000000 ] - [ -0.0039208500000000, -0.0019170600000000, 0.0005696800000000 ] - [ 0.0007675700000000, 0.0008089700000000, 0.0000486500000000 ] - [ -0.0000776500000000, 0.0008571300000000, 0.0001638600000000 ] - [ -0.0068539400000000, -0.0007482600000000, -0.0013548800000000 ] - [ 0.0001199100000000, 0.0008917200000000, -0.0002542000000000 ] - [ -0.0005498600000000, 0.0000395400000000, -0.0002063400000000 ] - [ -0.0010960600000000, 0.0005886200000000, -0.0007350700000000 ] - [ -0.0020532200000000, 0.0012333500000000, -0.0002420500000000 ] - [ 0.0009232000000000, 0.0009785500000000, -0.0008202300000000 ] - [ -0.0006801800000000, -0.0000256300000000, 0.0001723900000000 ] - [ 0.0056575700000000, -0.0019942900000000, -0.0023919100000000 ] - [ -0.0021215000000000, -0.0011587300000000, 0.0002124300000000 ] - [ -0.0011410100000000, 0.0006614200000000, 0.0004030500000000 ] - [ 0.0106809800000000, -0.0024615600000000, 0.0034803800000000 ] - [ 0.0002396000000000, -0.0002120900000000, -0.0001207400000000 ] - [ -0.0011421700000000, -0.0006641500000000, -0.0004043400000000 ] - [ 0.0012055900000000, -0.0004429400000000, 0.0011454400000000 ] - [ 0.0010671400000000, -0.0008964700000000, 0.0005692200000000 ] - [ -0.0002056000000000, 0.0000688700000000, 0.0000321000000000 ] - [ 0.0004435500000000, -0.0000804500000000, -0.0000455100000000 ] - [ -0.0001904000000000, 0.0004743900000000, -0.0003188800000000 ] - [ -0.0001255500000000, -0.0001995600000000, -0.0000929000000000 ] - [ -0.0004753200000000, -0.0001832700000000, 0.0002031700000000 ] - [ -0.0006253600000000, -0.0003735000000000, -0.0004120300000000 ] - [ 0.0003197300000000, -0.0001232100000000, -0.0000046600000000 ] - [ 0.0001601900000000, -0.0000920100000000, -0.0002221800000000 ] - [ -0.0004531100000000, 0.0002145300000000, 0.0003653800000000 ] - [ -0.0001261100000000, 0.0000681300000000, -0.0003122200000000 ] - [ -0.0004093100000000, 0.0000360000000000, -0.0001725400000000 ] - [ 0.0007173000000000, 0.0000566300000000, 0.0003881700000000 ] - [ -0.0001506000000000, -0.0001881500000000, 0.0002322200000000 ] - [ -0.0003237100000000, 0.0001166600000000, 0.0000259100000000 ] - [ 0.0006249900000000, -0.0000436300000000, -0.0000750100000000 ] - [ -0.0002592500000000, -0.0003966100000000, 0.0001882000000000 ] - [ 0.0060508500000000, 0.0010483700000000, -0.0013562400000000 ] - [ 0.0002063800000000, 0.0002913000000000, 0.0005337700000000 ] - [ 0.0068076000000000, 0.0007500600000000, 0.0018142600000000 ]- atom: 7 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0013320100000000, 0.0018007600000000, 0.0003412400000000 ] - [ 0.0017673500000000, -0.0024580700000000, 0.0001993600000000 ] - [ -0.0009303800000000, 0.0000472400000000, -0.0002028300000000 ] - [ 0.0001080100000000, 0.0000514800000000, -0.0002006900000000 ] - [ -0.0032643600000000, -0.0046014900000000, -0.0006529500000000 ] - [ -0.0003231200000000, -0.0001839500000000, 0.0000120600000000 ] - [ 0.0328983700000000, -0.0046864700000000, 0.0026583200000000 ] - [ -0.0000869500000000, -0.0001868400000000, -0.0000142300000000 ] - [ -0.0091322000000000, -0.0009283600000000, -0.0002847900000000 ] - [ 0.0004179600000000, 0.0000907100000000, 0.0002572700000000 ] - [ -0.0001172900000000, -0.0000160600000000, -0.0001788500000000 ] - [ -0.0017785900000000, 0.0003321900000000, 0.0022266200000000 ] - [ -0.0004665300000000, -0.0000463100000000, 0.0000105800000000 ] - [ 0.0000651500000000, -0.0000221300000000, 0.0001126300000000 ] - [ 0.0004536100000000, 0.0000250900000000, 0.0002174200000000 ] - [ -0.0005701400000000, 0.0001692500000000, -0.0002784700000000 ] - [ 0.0019707300000000, -0.0003440200000000, -0.0010618900000000 ] - [ 0.0000850300000000, 0.0000980900000000, 0.0001811700000000 ] - [ -0.0004089600000000, -0.0004194200000000, -0.0001807500000000 ] - [ 0.0001275300000000, -0.0006459300000000, 0.0000625900000000 ] - [ 0.0000623300000000, 0.0003273700000000, 0.0001178400000000 ] - [ 0.0000343100000000, 0.0004119300000000, 0.0001656300000000 ] - [ -0.0002702000000000, -0.0000484600000000, -0.0001570800000000 ] - [ 0.0001000400000000, -0.0000015600000000, -0.0000924700000000 ] - [ -0.0000809100000000, 0.0001273700000000, -0.0000172300000000 ] - [ -0.0000474200000000, 0.0001052400000000, -0.0000554500000000 ] - [ 0.0001929300000000, 0.0001782000000000, -0.0001903300000000 ] - [ -0.0000077800000000, 0.0001910700000000, 0.0000121400000000 ] - [ 0.0002607400000000, 0.0000552200000000, 0.0003233000000000 ] - [ -0.0001509700000000, 0.0000565000000000, 0.0001900000000000 ] - [ -0.0001784300000000, 0.0000682300000000, -0.0003408000000000 ] - [ -0.0003326900000000, -0.0001835600000000, -0.0005614100000000 ] - [ -0.0002529700000000, 0.0002240200000000, 0.0000147200000000 ] - [ 0.0000880700000000, 0.0003059800000000, -0.0002479400000000 ] - [ 0.0003471200000000, 0.0000461800000000, 0.0000251500000000 ] - [ -0.0007592100000000, 0.0002001000000000, 0.0009150300000000 ] - [ 0.0006188100000000, 0.0001673400000000, 0.0005623300000000 ] - [ -0.0001593000000000, -0.0003291700000000, 0.0005269400000000 ] - [ -0.0002707300000000, 0.0003983100000000, -0.0002995800000000 ] - [ -0.0005400000000000, 0.0004361300000000, -0.0011854900000000 ] - [ -0.0017406300000000, -0.0010254900000000, -0.0004149800000000 ] - [ -0.0035534600000000, 0.0041107400000000, -0.0003908500000000 ] - [ -0.0003612700000000, -0.0019500100000000, -0.0010290100000000 ] - [ 0.0041625300000000, 0.0002580600000000, -0.0007817900000000 ] - [ -0.0005333000000000, 0.0008794600000000, 0.0001406200000000 ] - [ -0.0001511200000000, 0.0008253700000000, 0.0000291900000000 ] - [ 0.0070775100000000, 0.0024244900000000, 0.0012357800000000 ] - [ -0.0003555000000000, 0.0007943300000000, 0.0000594900000000 ] - [ 0.0005189100000000, 0.0003373900000000, -0.0001412200000000 ] - [ 0.0011242800000000, -0.0002244900000000, 0.0003830200000000 ] - [ 0.0017214800000000, -0.0006470100000000, -0.0001410600000000 ] - [ -0.0006079200000000, -0.0003990900000000, 0.0004337700000000 ] - [ 0.0008088700000000, -0.0002950600000000, -0.0001344000000000 ] - [ -0.0058301700000000, 0.0017950900000000, 0.0025231700000000 ] - [ 0.0026759000000000, 0.0011591100000000, -0.0003553000000000 ] - [ 0.0006083100000000, -0.0006758000000000, -0.0005417100000000 ] - [ -0.0099054300000000, 0.0022040200000000, -0.0030639400000000 ] - [ -0.0007680300000000, 0.0001976600000000, 0.0002588500000000 ] - [ 0.0010187600000000, 0.0003323500000000, 0.0003548000000000 ] - [ -0.0010941000000000, 0.0001194700000000, -0.0011927200000000 ] - [ -0.0013973800000000, 0.0014779900000000, -0.0001792600000000 ] - [ 0.0005266900000000, 0.0005100300000000, 0.0003542900000000 ] - [ -0.0004124300000000, 0.0004562600000000, 0.0003964800000000 ] - [ 0.0001668800000000, -0.0001042700000000, 0.0006771200000000 ] - [ 0.0001494600000000, -0.0001728900000000, -0.0002630600000000 ] - [ 0.0004483400000000, -0.0001909500000000, -0.0005622300000000 ] - [ 0.0003053900000000, -0.0002073200000000, 0.0000215400000000 ] - [ -0.0000002600000000, -0.0004553000000000, -0.0003830400000000 ] - [ -0.0002830900000000, 0.0004137100000000, 0.0002648200000000 ] - [ 0.0005793300000000, 0.0001066500000000, -0.0003258100000000 ] - [ 0.0006557100000000, -0.0000561700000000, 0.0001769600000000 ] - [ -0.0001235000000000, -0.0000218000000000, 0.0000359700000000 ] - [ -0.0001787100000000, -0.0000488400000000, -0.0002533500000000 ] - [ -0.0003806300000000, 0.0002042200000000, -0.0000955500000000 ] - [ 0.0002036300000000, 0.0002082200000000, -0.0000691600000000 ] - [ -0.0005090500000000, 0.0003707700000000, 0.0000296600000000 ] - [ 0.0005847100000000, -0.0001849400000000, 0.0002032100000000 ] - [ -0.0064479300000000, -0.0016816000000000, 0.0016202500000000 ] - [ -0.0001776800000000, -0.0006643800000000, -0.0001801100000000 ] - [ -0.0066620300000000, -0.0009921700000000, -0.0016295400000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0021278400000000, 0.0011507400000000, 0.0003436700000000 ] - [ 0.0020528700000000, 0.0084183500000000, -0.0006174500000000 ] - [ -0.0001731600000000, -0.0003475900000000, -0.0001424400000000 ] - [ 0.0002413300000000, 0.0006946600000000, -0.0000430400000000 ] - [ 0.0043010400000000, 0.0019994000000000, 0.0005488000000000 ] - [ -0.0000638500000000, -0.0000065500000000, -0.0000721100000000 ] - [ 0.0045008100000000, -0.0364893200000000, 0.0032859000000000 ] - [ 0.0000254000000000, 0.0001793800000000, -0.0001011800000000 ] - [ 0.0008077000000000, -0.0022522800000000, 0.0004526200000000 ] - [ 0.0000785100000000, 0.0009193900000000, 0.0003573300000000 ] - [ 0.0000401400000000, 0.0002244100000000, -0.0002171800000000 ] - [ -0.0002522900000000, -0.0012022300000000, -0.0000721700000000 ] - [ -0.0001668700000000, -0.0004396600000000, -0.0000442800000000 ] - [ 0.0001919500000000, 0.0003572400000000, 0.0000260100000000 ] - [ 0.0001730400000000, 0.0006079200000000, 0.0006801200000000 ] - [ -0.0004794400000000, 0.0000426500000000, -0.0001599500000000 ] - [ 0.0002331400000000, -0.0021167300000000, 0.0018915600000000 ] - [ 0.0000655800000000, 0.0004225800000000, 0.0002801700000000 ] - [ -0.0002662700000000, -0.0003939000000000, -0.0000906700000000 ] - [ 0.0004668300000000, -0.0003912400000000, -0.0004584000000000 ] - [ 0.0000605100000000, 0.0001437500000000, 0.0000639600000000 ] - [ -0.0000744300000000, 0.0006285200000000, 0.0001676900000000 ] - [ -0.0001591500000000, -0.0000311600000000, -0.0002127400000000 ] - [ 0.0000794400000000, 0.0000358600000000, -0.0000173300000000 ] - [ -0.0000287400000000, -0.0001850100000000, 0.0000096100000000 ] - [ 0.0000798600000000, 0.0002532700000000, -0.0000003900000000 ] - [ -0.0000365800000000, 0.0001492300000000, -0.0001906700000000 ] - [ 0.0000223000000000, 0.0002564600000000, 0.0000542900000000 ] - [ 0.0001115200000000, 0.0001083600000000, 0.0003383900000000 ] - [ -0.0001897100000000, -0.0000380900000000, 0.0000900200000000 ] - [ 0.0000398100000000, 0.0001325300000000, -0.0003669200000000 ] - [ 0.0001223400000000, 0.0002518900000000, 0.0000449400000000 ] - [ 0.0000133600000000, 0.0001431200000000, 0.0000584700000000 ] - [ -0.0000951000000000, 0.0002380900000000, -0.0003870000000000 ] - [ 0.0002573000000000, 0.0005236000000000, -0.0000981400000000 ] - [ -0.0000471200000000, -0.0003581200000000, 0.0000235400000000 ] - [ -0.0002527800000000, 0.0010291300000000, 0.0019458600000000 ] - [ 0.0003913100000000, 0.0003179900000000, -0.0001739000000000 ] - [ -0.0001727700000000, 0.0005564500000000, -0.0002591900000000 ] - [ 0.0001623600000000, -0.0001251200000000, -0.0003581400000000 ] - [ 0.0001934700000000, -0.0006074900000000, 0.0001436400000000 ] - [ -0.0057512800000000, 0.0032100500000000, -0.0009434300000000 ] - [ 0.0010016200000000, -0.0007913800000000, 0.0007669600000000 ] - [ 0.0000934500000000, 0.0039436600000000, -0.0064074300000000 ] - [ 0.0001237400000000, 0.0002916100000000, 0.0000447900000000 ] - [ 0.0000348000000000, 0.0013799800000000, 0.0000174300000000 ] - [ -0.0017536700000000, -0.0045156900000000, -0.0037688800000000 ] - [ -0.0004989000000000, 0.0014729000000000, 0.0001534700000000 ] - [ -0.0003213700000000, -0.0002211900000000, -0.0003279200000000 ] - [ 0.0009416200000000, 0.0007388900000000, 0.0007846600000000 ] - [ 0.0001472200000000, 0.0007305900000000, -0.0005084000000000 ] - [ 0.0003079700000000, -0.0016144900000000, 0.0004531800000000 ] - [ 0.0003865700000000, -0.0007055000000000, 0.0000570700000000 ] - [ -0.0012394800000000, 0.0080244900000000, 0.0042193200000000 ] - [ -0.0002769300000000, 0.0005243500000000, 0.0000999700000000 ] - [ 0.0006262100000000, -0.0013658900000000, -0.0007207500000000 ] - [ -0.0041140300000000, 0.0072559200000000, -0.0026537700000000 ] - [ -0.0008798400000000, -0.0011689300000000, -0.0004926700000000 ] - [ -0.0001846100000000, 0.0003013700000000, -0.0002134400000000 ] - [ -0.0009540800000000, -0.0023318800000000, 0.0004904000000000 ] - [ -0.0009600300000000, 0.0013176300000000, 0.0013683500000000 ] - [ 0.0000039500000000, -0.0001019900000000, -0.0000758800000000 ] - [ -0.0003313900000000, 0.0004583100000000, -0.0003268800000000 ] - [ 0.0008271200000000, -0.0005329000000000, 0.0012398800000000 ] - [ -0.0001045000000000, -0.0004862300000000, -0.0000365100000000 ] - [ 0.0003442900000000, 0.0001637000000000, -0.0005865100000000 ] - [ 0.0002031200000000, 0.0000718100000000, 0.0001644900000000 ] - [ 0.0002003400000000, -0.0008951800000000, -0.0004442200000000 ] - [ -0.0002868800000000, -0.0002701600000000, -0.0001110100000000 ] - [ -0.0001959500000000, 0.0002592300000000, 0.0003726300000000 ] - [ -0.0000683700000000, 0.0003076100000000, -0.0002800000000000 ] - [ -0.0002992600000000, -0.0002780200000000, 0.0001148400000000 ] - [ 0.0001057000000000, 0.0008781300000000, 0.0001858600000000 ] - [ -0.0004666600000000, -0.0005004300000000, 0.0001063000000000 ] - [ 0.0000573500000000, 0.0001244600000000, -0.0000218800000000 ] - [ 0.0001899200000000, 0.0004053500000000, 0.0001754600000000 ] - [ 0.0003385000000000, -0.0008413800000000, 0.0004473700000000 ] - [ 0.0007324800000000, 0.0058418800000000, -0.0010864000000000 ] - [ 0.0006195500000000, -0.0015944100000000, -0.0004978700000000 ] - [ 0.0012758900000000, 0.0057131600000000, 0.0015181700000000 ]- atom: 7 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0023849700000000, -0.0019170800000000, 0.0001183900000000 ] - [ -0.0022444000000000, -0.0090469400000000, 0.0010630300000000 ] - [ -0.0001163800000000, 0.0004092800000000, -0.0002322200000000 ] - [ 0.0000449800000000, -0.0006342900000000, -0.0003323500000000 ] - [ -0.0045243800000000, -0.0022298300000000, -0.0006444100000000 ] - [ 0.0002446200000000, -0.0002268000000000, -0.0000157200000000 ] - [ -0.0045617900000000, 0.0358360200000000, -0.0036252100000000 ] - [ 0.0000340900000000, -0.0005464100000000, 0.0001156900000000 ] - [ -0.0010104600000000, 0.0021632100000000, 0.0000417300000000 ] - [ 0.0000925700000000, -0.0010008400000000, 0.0001396500000000 ] - [ 0.0001315400000000, -0.0003007900000000, -0.0002784700000000 ] - [ 0.0000907100000000, 0.0011272800000000, -0.0004333800000000 ] - [ 0.0001070400000000, 0.0000697700000000, 0.0000319100000000 ] - [ -0.0001327200000000, -0.0007303400000000, -0.0000374100000000 ] - [ 0.0000015800000000, -0.0008401100000000, -0.0005857100000000 ] - [ 0.0002981500000000, -0.0002717400000000, 0.0002487800000000 ] - [ -0.0005274400000000, 0.0021632100000000, -0.0015470200000000 ] - [ 0.0002236900000000, -0.0003603600000000, 0.0000955900000000 ] - [ 0.0000366300000000, -0.0003676100000000, -0.0003681900000000 ] - [ -0.0002391400000000, -0.0003664200000000, 0.0000020300000000 ] - [ 0.0001701900000000, 0.0006150800000000, 0.0003945800000000 ] - [ -0.0001568600000000, 0.0001297000000000, 0.0002909700000000 ] - [ -0.0001294500000000, -0.0000301200000000, -0.0001625400000000 ] - [ 0.0002098900000000, -0.0000991400000000, -0.0003582500000000 ] - [ -0.0001510400000000, 0.0004151800000000, -0.0000977700000000 ] - [ 0.0001017600000000, -0.0000234600000000, -0.0000883800000000 ] - [ -0.0000244700000000, 0.0002206300000000, 0.0002046600000000 ] - [ 0.0000368200000000, 0.0001098200000000, -0.0000404500000000 ] - [ 0.0000608200000000, -0.0000345500000000, 0.0001576200000000 ] - [ 0.0000182000000000, 0.0001149100000000, 0.0004052500000000 ] - [ 0.0001294700000000, -0.0000560200000000, -0.0001295100000000 ] - [ -0.0002922000000000, -0.0001701700000000, -0.0005418300000000 ] - [ -0.0000698700000000, 0.0002240600000000, -0.0000727500000000 ] - [ 0.0001514100000000, 0.0001271600000000, 0.0003700300000000 ] - [ -0.0000775900000000, -0.0002926500000000, 0.0001847300000000 ] - [ -0.0001354400000000, 0.0005925500000000, 0.0000672100000000 ] - [ -0.0000384000000000, -0.0010969300000000, -0.0015931000000000 ] - [ -0.0001009900000000, -0.0003851500000000, 0.0005462600000000 ] - [ -0.0000563600000000, 0.0002017700000000, -0.0002007800000000 ] - [ 0.0000704500000000, 0.0008798800000000, -0.0000994300000000 ] - [ 0.0000287300000000, -0.0010707800000000, 0.0000495100000000 ] - [ 0.0054847300000000, -0.0048857900000000, 0.0011514800000000 ] - [ -0.0012194300000000, -0.0009015500000000, -0.0009516100000000 ] - [ 0.0001683700000000, -0.0056382700000000, 0.0062847600000000 ] - [ 0.0001071200000000, 0.0013940700000000, 0.0001491800000000 ] - [ -0.0002634800000000, 0.0002981800000000, 0.0001738400000000 ] - [ 0.0019805800000000, 0.0061688700000000, 0.0036463100000000 ] - [ 0.0002710200000000, 0.0002089700000000, -0.0003529600000000 ] - [ 0.0002911700000000, 0.0005961400000000, -0.0000184200000000 ] - [ -0.0009096900000000, -0.0003591900000000, -0.0011313400000000 ] - [ -0.0004584900000000, -0.0001618900000000, 0.0001265200000000 ] - [ 0.0000168200000000, 0.0021802300000000, -0.0008322500000000 ] - [ -0.0002653500000000, 0.0003801400000000, -0.0000177600000000 ] - [ 0.0008866100000000, -0.0079981100000000, -0.0038792400000000 ] - [ 0.0008017400000000, -0.0005495600000000, -0.0002423500000000 ] - [ -0.0011493800000000, 0.0013458600000000, 0.0005745400000000 ] - [ 0.0048204600000000, -0.0073864300000000, 0.0029764300000000 ] - [ 0.0003455700000000, 0.0011460100000000, 0.0006261800000000 ] - [ 0.0000618400000000, -0.0006181100000000, 0.0001770100000000 ] - [ 0.0010821800000000, 0.0020232500000000, -0.0005460700000000 ] - [ 0.0006491700000000, -0.0007539700000000, -0.0009882500000000 ] - [ 0.0003096500000000, 0.0006766300000000, 0.0004578700000000 ] - [ 0.0003659000000000, -0.0000782600000000, 0.0006728700000000 ] - [ -0.0008643400000000, 0.0009077300000000, -0.0008953800000000 ] - [ 0.0001361500000000, 0.0001069000000000, -0.0003143000000000 ] - [ -0.0003780000000000, -0.0005418200000000, 0.0002377400000000 ] - [ -0.0005158400000000, -0.0006485400000000, -0.0005456700000000 ] - [ 0.0001119100000000, 0.0003240800000000, 0.0000628300000000 ] - [ 0.0001672800000000, 0.0005879800000000, 0.0001529100000000 ] - [ 0.0003209500000000, 0.0000610400000000, -0.0003368000000000 ] - [ 0.0005924700000000, -0.0002909300000000, 0.0001366900000000 ] - [ -0.0002256000000000, 0.0002987700000000, -0.0002585700000000 ] - [ 0.0004257300000000, -0.0008677000000000, -0.0000469000000000 ] - [ -0.0000585000000000, 0.0005236300000000, 0.0000375100000000 ] - [ -0.0001812100000000, 0.0001933700000000, -0.0000172500000000 ] - [ -0.0000732400000000, -0.0000790400000000, -0.0002168700000000 ] - [ -0.0000259500000000, 0.0002692700000000, -0.0000642900000000 ] - [ -0.0010853400000000, -0.0064527900000000, 0.0013886600000000 ] - [ -0.0005967900000000, 0.0012251700000000, 0.0008549400000000 ] - [ -0.0012057400000000, -0.0060053200000000, -0.0012747300000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0003053700000000, 0.0000172400000000, -0.0008729600000000 ] - [ -0.0000737500000000, -0.0012239600000000, -0.0020775400000000 ] - [ -0.0001574100000000, 0.0000239500000000, -0.0004707000000000 ] - [ 0.0001133500000000, 0.0001302100000000, -0.0004400700000000 ] - [ 0.0002543500000000, 0.0002716200000000, -0.0020270100000000 ] - [ -0.0000771500000000, -0.0001716400000000, -0.0002759800000000 ] - [ -0.0027948700000000, 0.0032852300000000, -0.0484848800000000 ] - [ 0.0000107200000000, -0.0002929800000000, -0.0002744700000000 ] - [ 0.0004390400000000, 0.0001560000000000, -0.0020952600000000 ] - [ 0.0001600300000000, -0.0000858800000000, -0.0001286200000000 ] - [ 0.0000969700000000, -0.0000180200000000, -0.0002410700000000 ] - [ -0.0025041700000000, 0.0003674200000000, 0.0011111700000000 ] - [ -0.0000180700000000, -0.0001482100000000, 0.0000897200000000 ] - [ -0.0000859300000000, -0.0002191700000000, 0.0001126400000000 ] - [ 0.0001028100000000, 0.0004710800000000, 0.0004568600000000 ] - [ 0.0003576000000000, -0.0002721700000000, 0.0003816200000000 ] - [ 0.0011475900000000, 0.0018125900000000, 0.0093317000000000 ] - [ 0.0002473700000000, -0.0001078200000000, 0.0002175700000000 ] - [ -0.0001746300000000, -0.0003920100000000, -0.0001560400000000 ] - [ -0.0003317700000000, -0.0006102200000000, -0.0001905500000000 ] - [ 0.0000742900000000, 0.0002745500000000, 0.0009527500000000 ] - [ -0.0001558200000000, 0.0002867500000000, 0.0005404600000000 ] - [ -0.0001734500000000, 0.0000101700000000, -0.0000166600000000 ] - [ 0.0002167000000000, -0.0001163900000000, 0.0001950400000000 ] - [ -0.0001196600000000, 0.0003804800000000, 0.0008042600000000 ] - [ 0.0001076500000000, 0.0001134900000000, 0.0001251200000000 ] - [ 0.0001636400000000, 0.0003808100000000, 0.0009501400000000 ] - [ 0.0000383800000000, 0.0001378300000000, 0.0003184600000000 ] - [ -0.0000323500000000, -0.0001931400000000, 0.0008073800000000 ] - [ -0.0001721000000000, 0.0002674100000000, 0.0006865500000000 ] - [ 0.0000095500000000, -0.0000129800000000, -0.0002287400000000 ] - [ 0.0003849300000000, 0.0005567700000000, 0.0001624100000000 ] - [ -0.0000082900000000, 0.0002497600000000, -0.0000182300000000 ] - [ 0.0002716700000000, -0.0001929600000000, -0.0001339100000000 ] - [ 0.0001724200000000, 0.0000876100000000, 0.0000177800000000 ] - [ -0.0010499800000000, 0.0002491200000000, 0.0003795300000000 ] - [ -0.0003627600000000, 0.0016637600000000, 0.0010926300000000 ] - [ -0.0002396400000000, -0.0004602000000000, 0.0004400400000000 ] - [ -0.0001502900000000, 0.0003840900000000, -0.0002420500000000 ] - [ 0.0011808200000000, 0.0001414000000000, 0.0001953600000000 ] - [ 0.0002809900000000, -0.0008142300000000, -0.0008101100000000 ] - [ -0.0014846900000000, -0.0000424700000000, -0.0031782900000000 ] - [ 0.0009747800000000, -0.0000618400000000, -0.0002212200000000 ] - [ 0.0000252900000000, -0.0072021300000000, 0.0032892000000000 ] - [ 0.0000546300000000, 0.0008489200000000, 0.0008511400000000 ] - [ -0.0000301600000000, 0.0007532700000000, 0.0008198600000000 ] - [ -0.0004477500000000, -0.0026402600000000, 0.0198385700000000 ] - [ -0.0003862400000000, 0.0008229800000000, 0.0000942700000000 ] - [ -0.0005433200000000, -0.0000861500000000, 0.0003291400000000 ] - [ 0.0001913700000000, 0.0010603600000000, 0.0009990900000000 ] - [ 0.0003420200000000, -0.0001766100000000, 0.0006003800000000 ] - [ -0.0006720100000000, 0.0002138000000000, 0.0009561200000000 ] - [ -0.0004705100000000, 0.0000273300000000, 0.0003197800000000 ] - [ -0.0006568700000000, 0.0021890700000000, 0.0084885500000000 ] - [ 0.0010401300000000, 0.0003408600000000, 0.0005077100000000 ] - [ 0.0001081600000000, -0.0003263200000000, -0.0001510700000000 ] - [ 0.0053943900000000, -0.0025979800000000, 0.0086108300000000 ] - [ -0.0005853100000000, -0.0001575700000000, 0.0005322300000000 ] - [ -0.0002243300000000, -0.0002605100000000, 0.0005011500000000 ] - [ 0.0010015100000000, 0.0007241200000000, 0.0010601100000000 ] - [ 0.0006559200000000, 0.0012633700000000, -0.0024175700000000 ] - [ -0.0000696800000000, 0.0001674000000000, -0.0001146900000000 ] - [ -0.0005306000000000, -0.0004247800000000, -0.0009573100000000 ] - [ -0.0009650000000000, 0.0006625700000000, -0.0013285900000000 ] - [ 0.0000302600000000, -0.0000121100000000, -0.0005576900000000 ] - [ 0.0004218000000000, -0.0002077600000000, -0.0009090800000000 ] - [ -0.0003724600000000, -0.0004425100000000, -0.0008095700000000 ] - [ 0.0003308300000000, -0.0003121700000000, -0.0007867800000000 ] - [ -0.0003290600000000, -0.0004521400000000, -0.0007843300000000 ] - [ 0.0006775300000000, 0.0002235500000000, -0.0006026800000000 ] - [ -0.0002695800000000, -0.0000204400000000, -0.0006925200000000 ] - [ -0.0002633200000000, 0.0002337700000000, -0.0002371300000000 ] - [ 0.0018427800000000, -0.0017317600000000, -0.0020932500000000 ] - [ -0.0001246500000000, 0.0004083000000000, -0.0003733200000000 ] - [ 0.0000585300000000, 0.0000928100000000, -0.0002876400000000 ] - [ -0.0018438000000000, 0.0015586800000000, -0.0019446100000000 ] - [ 0.0003687600000000, -0.0000614600000000, 0.0003092900000000 ] - [ 0.0004720600000000, 0.0006421100000000, 0.0041316600000000 ] - [ 0.0002687700000000, -0.0006521000000000, 0.0006421700000000 ] - [ -0.0008336200000000, -0.0007515600000000, 0.0053817900000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0005297600000000, -0.0007674500000000, 0.0013398600000000 ] - [ -0.0001617900000000, 0.0004314400000000, 0.0025444300000000 ] - [ -0.0001300900000000, 0.0000349600000000, 0.0000959100000000 ] - [ 0.0001740600000000, -0.0000714200000000, 0.0000657600000000 ] - [ -0.0004164900000000, -0.0004850400000000, 0.0019396900000000 ] - [ 0.0002603200000000, -0.0000598300000000, 0.0001883100000000 ] - [ 0.0026151900000000, -0.0036321700000000, 0.0487035800000000 ] - [ 0.0000504200000000, -0.0000760200000000, 0.0002874600000000 ] - [ -0.0006422600000000, -0.0002385700000000, 0.0025871400000000 ] - [ 0.0000092300000000, 0.0000055300000000, 0.0006252800000000 ] - [ 0.0000743100000000, -0.0000581000000000, -0.0002555000000000 ] - [ 0.0023073800000000, -0.0004367800000000, -0.0016035700000000 ] - [ -0.0000456300000000, -0.0002236100000000, -0.0001006600000000 ] - [ 0.0001497800000000, -0.0001544900000000, -0.0001237000000000 ] - [ 0.0000753100000000, -0.0006977700000000, -0.0003676400000000 ] - [ -0.0005391100000000, 0.0000403400000000, -0.0002936300000000 ] - [ -0.0014101700000000, -0.0017200100000000, -0.0088169300000000 ] - [ 0.0000403200000000, 0.0001672700000000, 0.0001583900000000 ] - [ -0.0000556700000000, -0.0003664200000000, -0.0003038200000000 ] - [ 0.0005594200000000, -0.0001513800000000, -0.0002697800000000 ] - [ 0.0001608300000000, 0.0004847600000000, -0.0004931700000000 ] - [ -0.0000755600000000, 0.0004705300000000, -0.0000801900000000 ] - [ -0.0001136100000000, -0.0000705500000000, -0.0003586300000000 ] - [ 0.0000692100000000, 0.0000592100000000, -0.0005724700000000 ] - [ -0.0000655500000000, -0.0001510900000000, -0.0008910100000000 ] - [ 0.0000749000000000, 0.0001163400000000, -0.0002145800000000 ] - [ -0.0002281600000000, -0.0000126100000000, -0.0009366300000000 ] - [ 0.0000252200000000, 0.0002331900000000, -0.0003062600000000 ] - [ 0.0002050300000000, 0.0002721600000000, -0.0003102500000000 ] - [ 0.0000031400000000, -0.0001938100000000, -0.0001910400000000 ] - [ 0.0001587300000000, 0.0000912300000000, -0.0002653000000000 ] - [ -0.0005542600000000, -0.0004765100000000, -0.0006568700000000 ] - [ -0.0000519900000000, 0.0001186500000000, 0.0000082100000000 ] - [ -0.0002111800000000, 0.0005643600000000, 0.0001246500000000 ] - [ 0.0000094100000000, 0.0001427300000000, 0.0000741100000000 ] - [ 0.0008729300000000, -0.0000144800000000, -0.0002871200000000 ] - [ 0.0000710400000000, -0.0017357600000000, -0.0007192300000000 ] - [ 0.0005276300000000, 0.0003990800000000, -0.0000621200000000 ] - [ -0.0000796700000000, 0.0003738900000000, -0.0002159700000000 ] - [ -0.0009544900000000, 0.0006113900000000, -0.0006537800000000 ] - [ -0.0000568300000000, -0.0008495600000000, 0.0009953500000000 ] - [ 0.0012740800000000, -0.0016367600000000, 0.0033617700000000 ] - [ -0.0011961700000000, -0.0015932100000000, 0.0000380400000000 ] - [ 0.0002313800000000, 0.0054858700000000, -0.0034690400000000 ] - [ 0.0001778200000000, 0.0008131800000000, -0.0006737400000000 ] - [ -0.0001998100000000, 0.0009048900000000, -0.0006446100000000 ] - [ 0.0006805000000000, 0.0043494100000000, -0.0202698800000000 ] - [ 0.0001527900000000, 0.0008373000000000, -0.0002725200000000 ] - [ 0.0005095100000000, 0.0004613800000000, -0.0006757500000000 ] - [ -0.0001622800000000, -0.0006862900000000, -0.0013519000000000 ] - [ -0.0006463800000000, 0.0007412600000000, -0.0009761000000000 ] - [ 0.0009782600000000, 0.0003554900000000, -0.0013329800000000 ] - [ 0.0005992000000000, -0.0003475500000000, -0.0002820100000000 ] - [ 0.0003902400000000, -0.0022710000000000, -0.0082944200000000 ] - [ -0.0005219000000000, -0.0003672000000000, -0.0006489700000000 ] - [ -0.0006313800000000, 0.0003051000000000, 0.0000073300000000 ] - [ -0.0046180300000000, 0.0023545800000000, -0.0082571200000000 ] - [ 0.0000684400000000, 0.0001334200000000, -0.0003810900000000 ] - [ 0.0000941200000000, -0.0000521200000000, -0.0005308800000000 ] - [ -0.0008694500000000, -0.0010405100000000, -0.0010885500000000 ] - [ -0.0009563000000000, -0.0006722900000000, 0.0027742400000000 ] - [ 0.0003738100000000, 0.0003979600000000, 0.0004896700000000 ] - [ 0.0005562500000000, 0.0007923000000000, 0.0013024200000000 ] - [ 0.0009302000000000, -0.0002864700000000, 0.0016781300000000 ] - [ 0.0000032800000000, -0.0003644100000000, 0.0002125500000000 ] - [ -0.0004509100000000, -0.0001709200000000, 0.0005642600000000 ] - [ 0.0000664600000000, -0.0001255400000000, 0.0004386500000000 ] - [ -0.0000256200000000, -0.0002542300000000, 0.0004175100000000 ] - [ 0.0002030000000000, 0.0007674500000000, 0.0008183000000000 ] - [ -0.0005485300000000, 0.0000908200000000, 0.0006341000000000 ] - [ 0.0007872900000000, 0.0000463500000000, 0.0005423900000000 ] - [ -0.0002548300000000, -0.0002109100000000, 0.0000896900000000 ] - [ -0.0013340000000000, 0.0017690300000000, 0.0022488400000000 ] - [ -0.0003948000000000, -0.0003815700000000, 0.0005188900000000 ] - [ -0.0001872200000000, 0.0002251600000000, 0.0002491500000000 ] - [ 0.0019932500000000, -0.0012533100000000, 0.0019175800000000 ] - [ -0.0000630800000000, -0.0005044700000000, 0.0000648000000000 ] - [ -0.0009733600000000, -0.0013674400000000, -0.0040950900000000 ] - [ -0.0002371400000000, 0.0002750200000000, -0.0002982500000000 ] - [ 0.0009702500000000, 0.0005065800000000, -0.0052137200000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0022403600000000, 0.0020218600000000, 0.0006020600000000 ] - [ 0.0009848900000000, -0.0024974200000000, 0.0004355700000000 ] - [ 0.0092110600000000, 0.0008037500000000, -0.0022125900000000 ] - [ 0.0004274000000000, -0.0000473500000000, -0.0001423100000000 ] - [ 0.0006686800000000, -0.0000027500000000, -0.0001395300000000 ] - [ 0.0006384900000000, 0.0010315900000000, -0.0002373400000000 ] - [ 0.0090149700000000, 0.0007153400000000, 0.0005404300000000 ] - [ -0.0003019000000000, -0.0001768000000000, -0.0000700700000000 ] - [ -0.0390106300000000, -0.0016892700000000, -0.0029052100000000 ] - [ 0.0000758100000000, 0.0000297300000000, 0.0002816700000000 ] - [ 0.0001649000000000, -0.0000471200000000, -0.0000794200000000 ] - [ 0.0006230400000000, 0.0000813200000000, -0.0001719600000000 ] - [ 0.0016605700000000, -0.0003549200000000, 0.0024146700000000 ] - [ 0.0002353700000000, -0.0001384400000000, 0.0000066500000000 ] - [ 0.0000099400000000, -0.0003173200000000, -0.0001012600000000 ] - [ -0.0013192900000000, -0.0004699800000000, 0.0004552300000000 ] - [ 0.0006941900000000, -0.0002221600000000, -0.0012829300000000 ] - [ -0.0001314000000000, 0.0001858100000000, 0.0002835600000000 ] - [ 0.0002809500000000, -0.0000352000000000, 0.0001216600000000 ] - [ 0.0005657300000000, -0.0004987500000000, -0.0000162400000000 ] - [ -0.0002506800000000, 0.0002583500000000, 0.0002356300000000 ] - [ -0.0001149100000000, 0.0004750800000000, 0.0001660500000000 ] - [ -0.0001021400000000, -0.0000989800000000, -0.0001810200000000 ] - [ 0.0003405100000000, -0.0000487500000000, -0.0001451400000000 ] - [ 0.0002298500000000, 0.0001023100000000, -0.0000028700000000 ] - [ 0.0001098100000000, 0.0001333600000000, -0.0000189900000000 ] - [ 0.0000319400000000, 0.0002892100000000, -0.0000830100000000 ] - [ -0.0001425900000000, 0.0002100400000000, 0.0001231100000000 ] - [ 0.0000648200000000, -0.0000638100000000, 0.0003674300000000 ] - [ -0.0004178200000000, 0.0000366200000000, 0.0001399700000000 ] - [ 0.0001433700000000, 0.0002384600000000, -0.0005366700000000 ] - [ 0.0002842400000000, 0.0001952900000000, -0.0002782200000000 ] - [ 0.0002174100000000, -0.0000242100000000, -0.0004750600000000 ] - [ 0.0002940900000000, 0.0001393400000000, -0.0000813000000000 ] - [ 0.0001472400000000, 0.0000156000000000, 0.0000802700000000 ] - [ -0.0026846200000000, 0.0000429800000000, -0.0009438000000000 ] - [ -0.0001045900000000, 0.0003959400000000, 0.0004403600000000 ] - [ -0.0007365000000000, -0.0001303200000000, 0.0001848600000000 ] - [ -0.0000776600000000, 0.0002592800000000, -0.0003594900000000 ] - [ 0.0007025400000000, 0.0003391900000000, -0.0004119100000000 ] - [ 0.0026357600000000, -0.0049164000000000, 0.0008183500000000 ] - [ 0.0022744500000000, -0.0010729100000000, 0.0007160000000000 ] - [ -0.0052517600000000, -0.0000387500000000, 0.0009179100000000 ] - [ 0.0022186900000000, 0.0014803400000000, -0.0015423600000000 ] - [ 0.0003169100000000, 0.0009283000000000, 0.0002756200000000 ] - [ 0.0004293000000000, 0.0008808500000000, 0.0000315700000000 ] - [ 0.0023959400000000, 0.0013998100000000, 0.0031259900000000 ] - [ -0.0010485400000000, 0.0005072500000000, -0.0002934300000000 ] - [ -0.0010462700000000, 0.0006401200000000, 0.0005277600000000 ] - [ -0.0017095400000000, -0.0006600200000000, -0.0000450900000000 ] - [ 0.0043089500000000, 0.0011874100000000, -0.0012198500000000 ] - [ -0.0004141000000000, 0.0004492000000000, -0.0000961100000000 ] - [ 0.0012947700000000, 0.0004818200000000, -0.0006801600000000 ] - [ -0.0025769300000000, 0.0010951100000000, 0.0002989200000000 ] - [ -0.0016919600000000, 0.0005611800000000, -0.0005833000000000 ] - [ -0.0010523000000000, -0.0000163800000000, 0.0000318500000000 ] - [ 0.0048336600000000, -0.0008108100000000, 0.0007821100000000 ] - [ 0.0007136200000000, -0.0001494400000000, 0.0008648800000000 ] - [ 0.0081128100000000, 0.0001527600000000, 0.0000471100000000 ] - [ -0.0010724800000000, -0.0006277200000000, -0.0005691900000000 ] - [ -0.0011063400000000, 0.0005874400000000, 0.0006720200000000 ] - [ 0.0003359400000000, -0.0000182700000000, -0.0001666300000000 ] - [ 0.0010037600000000, 0.0010449700000000, -0.0002134700000000 ] - [ 0.0006420300000000, -0.0003350100000000, 0.0007902500000000 ] - [ -0.0002987900000000, -0.0000890600000000, -0.0003673400000000 ] - [ -0.0006310200000000, -0.0002490300000000, -0.0006384800000000 ] - [ 0.0002064400000000, -0.0000736100000000, -0.0007723600000000 ] - [ -0.0000619200000000, -0.0001983200000000, -0.0000853700000000 ] - [ -0.0003677200000000, -0.0000842200000000, 0.0000046400000000 ] - [ 0.0007194200000000, -0.0000291500000000, 0.0002442500000000 ] - [ -0.0002531900000000, 0.0000115700000000, 0.0001374900000000 ] - [ -0.0005078100000000, -0.0000447500000000, 0.0000739300000000 ] - [ 0.0011009700000000, -0.0006422600000000, -0.0005163000000000 ] - [ 0.0000896900000000, 0.0004214500000000, -0.0000105400000000 ] - [ 0.0002206900000000, 0.0004882700000000, 0.0002153400000000 ] - [ -0.0008982400000000, 0.0007366100000000, -0.0005312300000000 ] - [ 0.0006710000000000, -0.0005976800000000, 0.0006619600000000 ] - [ -0.0015520400000000, -0.0008575500000000, -0.0001150500000000 ] - [ 0.0005729100000000, -0.0005070300000000, -0.0001233300000000 ] - [ 0.0062564900000000, -0.0021729900000000, 0.0013287900000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0024926600000000, -0.0027482700000000, -0.0001374200000000 ] - [ -0.0012160500000000, 0.0017609900000000, 0.0000179500000000 ] - [ -0.0093533900000000, -0.0007326900000000, 0.0017954300000000 ] - [ -0.0001444500000000, 0.0001033900000000, -0.0002382900000000 ] - [ -0.0008498800000000, -0.0002296500000000, 0.0000498000000000 ] - [ -0.0004562800000000, -0.0012547000000000, 0.0001543700000000 ] - [ -0.0092289100000000, -0.0011078600000000, -0.0005442700000000 ] - [ 0.0003720000000000, -0.0001970100000000, 0.0000782300000000 ] - [ 0.0387268500000000, 0.0015657300000000, 0.0034747500000000 ] - [ 0.0000965800000000, -0.0001054700000000, 0.0002195600000000 ] - [ 0.0000059800000000, -0.0000252700000000, -0.0004222900000000 ] - [ -0.0007930500000000, -0.0001546700000000, -0.0003261300000000 ] - [ -0.0017211900000000, -0.0000170400000000, -0.0023959100000000 ] - [ -0.0001616300000000, -0.0002373900000000, -0.0000130000000000 ] - [ 0.0001757800000000, 0.0000900600000000, 0.0001901700000000 ] - [ 0.0011343400000000, 0.0002476300000000, -0.0003753100000000 ] - [ -0.0009793800000000, 0.0002751700000000, 0.0016782400000000 ] - [ 0.0004152700000000, -0.0001318800000000, 0.0000973700000000 ] - [ -0.0005139500000000, -0.0007214800000000, -0.0005815600000000 ] - [ -0.0003338100000000, -0.0002598200000000, -0.0004406600000000 ] - [ 0.0004823800000000, 0.0004986700000000, 0.0002235800000000 ] - [ -0.0001141200000000, 0.0002830700000000, 0.0002930900000000 ] - [ -0.0001797500000000, 0.0000431100000000, -0.0001994300000000 ] - [ -0.0000564500000000, -0.0000054100000000, -0.0002340400000000 ] - [ -0.0004091000000000, 0.0001279900000000, -0.0000845400000000 ] - [ 0.0000731900000000, 0.0000965300000000, -0.0000693600000000 ] - [ -0.0001035700000000, 0.0000866500000000, 0.0000905900000000 ] - [ 0.0002156400000000, 0.0001662400000000, -0.0001181400000000 ] - [ 0.0001081200000000, 0.0001356300000000, 0.0001363000000000 ] - [ 0.0002491400000000, 0.0000358900000000, 0.0003621300000000 ] - [ 0.0000244300000000, -0.0001601000000000, 0.0000345600000000 ] - [ -0.0004517400000000, -0.0001213800000000, -0.0002228300000000 ] - [ -0.0002876200000000, 0.0003960100000000, 0.0004677300000000 ] - [ -0.0002199500000000, 0.0002330600000000, 0.0000707400000000 ] - [ 0.0000377000000000, 0.0002157200000000, 0.0000064800000000 ] - [ 0.0024939000000000, 0.0001901700000000, 0.0010680700000000 ] - [ -0.0001767500000000, -0.0004522200000000, -0.0000624200000000 ] - [ 0.0010198900000000, 0.0000693600000000, 0.0002021300000000 ] - [ -0.0001517100000000, 0.0004997100000000, -0.0000992300000000 ] - [ -0.0004691700000000, 0.0004183700000000, -0.0000495700000000 ] - [ -0.0024056600000000, 0.0032104100000000, -0.0006467300000000 ] - [ -0.0025101500000000, -0.0005923800000000, -0.0005291800000000 ] - [ 0.0050355600000000, -0.0016753300000000, -0.0011363300000000 ] - [ -0.0019820000000000, -0.0031664800000000, 0.0013615700000000 ] - [ -0.0000909100000000, 0.0007428200000000, -0.0000940700000000 ] - [ -0.0006630900000000, 0.0007956200000000, 0.0001532600000000 ] - [ -0.0021524300000000, 0.0002884300000000, -0.0033215600000000 ] - [ 0.0008138800000000, 0.0011687900000000, 0.0001002200000000 ] - [ 0.0010046600000000, -0.0002589700000000, -0.0008567000000000 ] - [ 0.0017483600000000, 0.0010351200000000, -0.0002792100000000 ] - [ -0.0044583000000000, -0.0007856000000000, 0.0007435500000000 ] - [ 0.0007037500000000, 0.0001005500000000, -0.0002666000000000 ] - [ -0.0011443600000000, -0.0007861300000000, 0.0007031500000000 ] - [ 0.0024558200000000, -0.0014123100000000, -0.0002788800000000 ] - [ 0.0021921300000000, -0.0005821200000000, 0.0004266800000000 ] - [ 0.0005528400000000, -0.0000247100000000, -0.0001910600000000 ] - [ -0.0045094200000000, 0.0005994500000000, -0.0004821000000000 ] - [ -0.0012273400000000, 0.0001139200000000, -0.0007117400000000 ] - [ -0.0080142500000000, -0.0002318600000000, 0.0001003700000000 ] - [ 0.0012151300000000, 0.0003252400000000, 0.0005414900000000 ] - [ 0.0008089800000000, -0.0000277400000000, -0.0003043300000000 ] - [ -0.0000382500000000, 0.0005769600000000, 0.0005396900000000 ] - [ -0.0009612800000000, -0.0006623300000000, 0.0005426600000000 ] - [ -0.0006824200000000, 0.0007143700000000, -0.0004560800000000 ] - [ 0.0003447800000000, -0.0002925900000000, 0.0000372600000000 ] - [ 0.0005885900000000, -0.0001332500000000, 0.0003051400000000 ] - [ -0.0004942600000000, -0.0004805100000000, 0.0004051700000000 ] - [ 0.0003555200000000, -0.0003556100000000, -0.0002840500000000 ] - [ 0.0002256700000000, 0.0003912600000000, 0.0000228300000000 ] - [ -0.0005680200000000, 0.0003310700000000, -0.0002236200000000 ] - [ 0.0007630100000000, 0.0000265000000000, -0.0002921400000000 ] - [ 0.0000015100000000, 0.0000845500000000, -0.0002297500000000 ] - [ -0.0005896000000000, 0.0006770600000000, 0.0006695900000000 ] - [ -0.0005970400000000, -0.0003810700000000, 0.0001652800000000 ] - [ -0.0003632800000000, -0.0001837900000000, -0.0002412200000000 ] - [ 0.0010375900000000, -0.0004285900000000, 0.0005048900000000 ] - [ -0.0003722100000000, 0.0000435200000000, -0.0002931100000000 ] - [ 0.0012608500000000, 0.0003023800000000, 0.0004983600000000 ] - [ -0.0005285000000000, 0.0001243900000000, 0.0004527300000000 ] - [ -0.0065078200000000, 0.0019321400000000, -0.0012522800000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0022646400000000, 0.0093139400000000, 0.0018435700000000 ] - [ -0.0022803400000000, 0.0012096400000000, -0.0002238600000000 ] - [ 0.0008030500000000, -0.0025063000000000, -0.0004430800000000 ] - [ 0.0000593500000000, 0.0003891700000000, -0.0001873000000000 ] - [ -0.0001792500000000, -0.0002084200000000, 0.0000839700000000 ] - [ 0.0012337400000000, 0.0011616600000000, -0.0001877600000000 ] - [ 0.0008856800000000, -0.0023871800000000, 0.0002057900000000 ] - [ 0.0001606400000000, 0.0007783200000000, -0.0000386400000000 ] - [ -0.0017589400000000, -0.0348896600000000, -0.0039851300000000 ] - [ 0.0000141200000000, 0.0004868000000000, 0.0001569800000000 ] - [ 0.0000955700000000, 0.0005285300000000, -0.0005117800000000 ] - [ 0.0000330800000000, -0.0004440000000000, -0.0002565600000000 ] - [ -0.0004009700000000, -0.0013456700000000, -0.0004123300000000 ] - [ 0.0000532400000000, 0.0000788600000000, -0.0000263500000000 ] - [ -0.0002360100000000, -0.0000185500000000, 0.0001984100000000 ] - [ -0.0003311700000000, 0.0010623800000000, -0.0023404100000000 ] - [ -0.0002469000000000, -0.0009009700000000, 0.0001437300000000 ] - [ 0.0002138900000000, 0.0007710000000000, 0.0000981700000000 ] - [ 0.0003173300000000, -0.0001382700000000, -0.0000041000000000 ] - [ 0.0001490500000000, -0.0003475900000000, -0.0003935500000000 ] - [ 0.0001237900000000, 0.0000092500000000, 0.0001488200000000 ] - [ -0.0001581500000000, 0.0006232500000000, 0.0002098600000000 ] - [ -0.0001771100000000, -0.0000103800000000, -0.0002106400000000 ] - [ 0.0001429600000000, 0.0000129300000000, -0.0001687900000000 ] - [ -0.0000964100000000, -0.0001044800000000, -0.0001526000000000 ] - [ 0.0001789700000000, 0.0003654400000000, 0.0000830900000000 ] - [ -0.0000131300000000, 0.0001096700000000, -0.0002260700000000 ] - [ 0.0000129500000000, 0.0002554400000000, 0.0002395000000000 ] - [ -0.0000161800000000, 0.0001673900000000, 0.0002959200000000 ] - [ -0.0000843800000000, 0.0000332700000000, 0.0001606100000000 ] - [ 0.0002829300000000, 0.0001305200000000, -0.0004882700000000 ] - [ -0.0002414700000000, -0.0000310100000000, -0.0001266800000000 ] - [ -0.0002532000000000, 0.0003946900000000, 0.0005106600000000 ] - [ 0.0000015800000000, 0.0002785700000000, -0.0000587200000000 ] - [ 0.0001095300000000, 0.0003458500000000, 0.0000597800000000 ] - [ -0.0000828100000000, -0.0022253400000000, 0.0016867300000000 ] - [ 0.0001554600000000, 0.0000063600000000, 0.0005742500000000 ] - [ -0.0001231000000000, 0.0010796200000000, -0.0016036100000000 ] - [ -0.0000408800000000, 0.0007031700000000, -0.0001590200000000 ] - [ -0.0000944900000000, 0.0001077900000000, -0.0001653200000000 ] - [ -0.0041081800000000, 0.0022334200000000, -0.0007051600000000 ] - [ 0.0000040900000000, -0.0006192200000000, 0.0000344800000000 ] - [ -0.0011180200000000, 0.0058275900000000, 0.0085605100000000 ] - [ 0.0022339300000000, 0.0012478400000000, -0.0017390400000000 ] - [ 0.0002268400000000, -0.0000716700000000, 0.0004070500000000 ] - [ -0.0000659300000000, 0.0012963400000000, 0.0000970300000000 ] - [ -0.0009729100000000, -0.0006870400000000, -0.0010570200000000 ] - [ -0.0004192700000000, 0.0021011700000000, 0.0002166700000000 ] - [ 0.0008116000000000, -0.0004972700000000, -0.0009739600000000 ] - [ -0.0004564700000000, 0.0004369200000000, 0.0001235900000000 ] - [ 0.0007538900000000, 0.0044052600000000, 0.0008916400000000 ] - [ 0.0002887300000000, -0.0002059800000000, -0.0000446400000000 ] - [ 0.0003112800000000, -0.0022883700000000, 0.0007307800000000 ] - [ 0.0006669300000000, 0.0004276400000000, -0.0002384000000000 ] - [ 0.0011701500000000, 0.0011646600000000, 0.0005520600000000 ] - [ -0.0004827700000000, -0.0007534300000000, -0.0000395900000000 ] - [ -0.0003460800000000, 0.0043378900000000, 0.0006700400000000 ] - [ 0.0006971100000000, -0.0021817900000000, -0.0000198700000000 ] - [ 0.0025327200000000, 0.0058985400000000, 0.0003560200000000 ] - [ -0.0003981800000000, -0.0008819900000000, -0.0003466600000000 ] - [ -0.0007740600000000, 0.0008657000000000, 0.0008560000000000 ] - [ -0.0010829000000000, -0.0014608400000000, -0.0009299700000000 ] - [ 0.0010576200000000, 0.0009940100000000, -0.0010387500000000 ] - [ 0.0003269000000000, -0.0004695300000000, 0.0009738800000000 ] - [ 0.0000131900000000, -0.0005407800000000, 0.0000568400000000 ] - [ -0.0002517900000000, 0.0002276100000000, -0.0006099700000000 ] - [ 0.0002090100000000, 0.0003949600000000, 0.0003237200000000 ] - [ 0.0003224500000000, -0.0006660200000000, -0.0003014300000000 ] - [ -0.0001188600000000, 0.0000131500000000, -0.0000427900000000 ] - [ -0.0003967800000000, 0.0006750300000000, 0.0004550900000000 ] - [ 0.0003409200000000, 0.0004007700000000, -0.0004999100000000 ] - [ -0.0004148800000000, -0.0003093800000000, -0.0000451700000000 ] - [ -0.0004882300000000, 0.0009667800000000, 0.0001248200000000 ] - [ -0.0003349600000000, -0.0005388500000000, -0.0000368300000000 ] - [ -0.0001640000000000, -0.0003137800000000, -0.0002247900000000 ] - [ 0.0005015900000000, -0.0000511600000000, 0.0002135500000000 ] - [ 0.0001547000000000, -0.0017499800000000, 0.0008777900000000 ] - [ 0.0001983100000000, 0.0006678600000000, -0.0005649200000000 ] - [ -0.0001177400000000, -0.0015396200000000, -0.0005891700000000 ] - [ -0.0007865800000000, 0.0063978800000000, -0.0008028200000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0020733500000000, -0.0102181700000000, -0.0014157200000000 ] - [ 0.0020213400000000, -0.0019604800000000, 0.0006752800000000 ] - [ -0.0011287300000000, 0.0025602900000000, 0.0000770400000000 ] - [ 0.0002307500000000, -0.0003268100000000, -0.0001858900000000 ] - [ 0.0000008600000000, -0.0000225100000000, -0.0001726200000000 ] - [ -0.0010383500000000, -0.0013866200000000, 0.0001024800000000 ] - [ -0.0009095200000000, 0.0020288100000000, -0.0001895700000000 ] - [ -0.0001016700000000, -0.0011429300000000, 0.0000516500000000 ] - [ 0.0014905300000000, 0.0350348200000000, 0.0043897300000000 ] - [ 0.0001518800000000, -0.0005651700000000, 0.0003383100000000 ] - [ 0.0000783300000000, -0.0006054600000000, 0.0000164900000000 ] - [ -0.0002067000000000, 0.0003674200000000, -0.0002376300000000 ] - [ 0.0003344600000000, 0.0009846800000000, 0.0003918100000000 ] - [ 0.0000074200000000, -0.0004466900000000, 0.0000139900000000 ] - [ 0.0004115000000000, -0.0002128400000000, -0.0001075800000000 ] - [ 0.0001492700000000, -0.0012959600000000, 0.0024515300000000 ] - [ -0.0000383200000000, 0.0009587000000000, 0.0002241600000000 ] - [ 0.0000750700000000, -0.0007071100000000, 0.0002792400000000 ] - [ -0.0005476800000000, -0.0006249200000000, -0.0004550600000000 ] - [ 0.0000836100000000, -0.0004117800000000, -0.0000645300000000 ] - [ 0.0001080600000000, 0.0007509300000000, 0.0003096400000000 ] - [ -0.0000740300000000, 0.0001376100000000, 0.0002471800000000 ] - [ -0.0001117700000000, -0.0000515000000000, -0.0001622500000000 ] - [ 0.0001462600000000, -0.0000756400000000, -0.0002065300000000 ] - [ -0.0000824800000000, 0.0003346900000000, 0.0000629900000000 ] - [ 0.0000013700000000, -0.0001339500000000, -0.0001711600000000 ] - [ -0.0000477200000000, 0.0002593000000000, 0.0002367000000000 ] - [ 0.0000462800000000, 0.0001105600000000, -0.0002262100000000 ] - [ 0.0001877400000000, -0.0000912500000000, 0.0002001700000000 ] - [ -0.0000875200000000, 0.0000424900000000, 0.0003349800000000 ] - [ -0.0001123400000000, -0.0000527400000000, -0.0000081300000000 ] - [ 0.0000708200000000, 0.0001120200000000, -0.0003680000000000 ] - [ 0.0001958200000000, -0.0000290500000000, -0.0005229800000000 ] - [ 0.0000570700000000, 0.0000865100000000, 0.0000455400000000 ] - [ 0.0000677800000000, -0.0001156200000000, 0.0000287700000000 ] - [ -0.0000972200000000, 0.0024715300000000, -0.0015652400000000 ] - [ -0.0004494900000000, -0.0000668500000000, -0.0002029500000000 ] - [ 0.0004086200000000, -0.0011404600000000, 0.0019569600000000 ] - [ -0.0001883500000000, 0.0000573600000000, -0.0002996900000000 ] - [ 0.0003252900000000, 0.0006507300000000, -0.0002926900000000 ] - [ 0.0043745400000000, -0.0039152800000000, 0.0008745900000000 ] - [ -0.0002375200000000, -0.0010651400000000, 0.0001504600000000 ] - [ 0.0009097600000000, -0.0074889300000000, -0.0086600000000000 ] - [ -0.0020072400000000, -0.0029282200000000, 0.0015567600000000 ] - [ 0.0000069600000000, 0.0017530400000000, -0.0002225200000000 ] - [ -0.0001657300000000, 0.0003856400000000, 0.0000877100000000 ] - [ 0.0012115000000000, 0.0023767300000000, 0.0008808400000000 ] - [ 0.0001883800000000, -0.0004128900000000, -0.0004157100000000 ] - [ -0.0008412800000000, 0.0008722500000000, 0.0006238900000000 ] - [ 0.0004848300000000, -0.0000568200000000, -0.0004766300000000 ] - [ -0.0009009100000000, -0.0040299600000000, -0.0014201200000000 ] - [ 0.0000330000000000, 0.0007847600000000, -0.0003393200000000 ] - [ -0.0002093600000000, 0.0019769700000000, -0.0006927900000000 ] - [ -0.0007849100000000, -0.0007449400000000, 0.0002804700000000 ] - [ -0.0006400900000000, -0.0011844100000000, -0.0006922200000000 ] - [ -0.0000490900000000, 0.0007419400000000, -0.0000996700000000 ] - [ 0.0007137400000000, -0.0045042600000000, -0.0004000900000000 ] - [ -0.0012236900000000, 0.0021582200000000, 0.0001480300000000 ] - [ -0.0024521000000000, -0.0060475600000000, -0.0002548700000000 ] - [ 0.0005144600000000, 0.0005564200000000, 0.0003023100000000 ] - [ 0.0004520600000000, -0.0002863600000000, -0.0004689900000000 ] - [ 0.0013924500000000, 0.0020348500000000, 0.0013116000000000 ] - [ -0.0010222000000000, -0.0006089500000000, 0.0013854000000000 ] - [ -0.0003502700000000, 0.0008427800000000, -0.0006196500000000 ] - [ 0.0000148300000000, 0.0001613400000000, -0.0004085900000000 ] - [ 0.0002245400000000, -0.0006033900000000, 0.0002583600000000 ] - [ -0.0005268900000000, -0.0009728800000000, -0.0007066700000000 ] - [ -0.0000012500000000, 0.0000884700000000, -0.0000848100000000 ] - [ 0.0000004300000000, 0.0003075900000000, 0.0000842200000000 ] - [ 0.0005146400000000, -0.0003483700000000, -0.0004156900000000 ] - [ 0.0001921000000000, -0.0003874000000000, 0.0003611300000000 ] - [ -0.0001176800000000, 0.0003255700000000, -0.0000941300000000 ] - [ 0.0010220700000000, -0.0009568000000000, 0.0000130600000000 ] - [ -0.0001939600000000, 0.0005570800000000, 0.0001769700000000 ] - [ 0.0000437200000000, 0.0006316300000000, 0.0001854200000000 ] - [ -0.0003853400000000, 0.0003762900000000, -0.0002561300000000 ] - [ 0.0001638800000000, 0.0011638900000000, -0.0004840100000000 ] - [ -0.0005210800000000, -0.0012493200000000, 0.0009518800000000 ] - [ 0.0001509200000000, 0.0011690200000000, 0.0009486900000000 ] - [ 0.0006669100000000, -0.0067365100000000, 0.0010506000000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0005402000000000, 0.0013844700000000, -0.0022047600000000 ] - [ 0.0000835400000000, -0.0007568900000000, -0.0007636700000000 ] - [ -0.0023132100000000, -0.0002213200000000, -0.0022077500000000 ] - [ 0.0000452800000000, 0.0000883700000000, -0.0003317200000000 ] - [ -0.0002852700000000, -0.0000580400000000, -0.0003569900000000 ] - [ -0.0000976400000000, -0.0002948900000000, -0.0007170000000000 ] - [ 0.0005233200000000, 0.0000233800000000, -0.0023314700000000 ] - [ 0.0000404900000000, -0.0000745500000000, -0.0003698700000000 ] - [ -0.0031884500000000, -0.0042912200000000, -0.0338450300000000 ] - [ 0.0000504200000000, -0.0001306700000000, -0.0000385300000000 ] - [ 0.0002533400000000, 0.0002256400000000, -0.0003881600000000 ] - [ -0.0001589200000000, -0.0000292700000000, -0.0002701100000000 ] - [ 0.0024407100000000, -0.0003649400000000, 0.0013528200000000 ] - [ -0.0000359900000000, -0.0002153700000000, 0.0000016000000000 ] - [ -0.0001800000000000, -0.0000045400000000, 0.0000399900000000 ] - [ 0.0001542200000000, -0.0026073300000000, 0.0018642800000000 ] - [ -0.0015789400000000, 0.0001384100000000, 0.0012156200000000 ] - [ 0.0001590600000000, 0.0001206000000000, 0.0001968100000000 ] - [ 0.0002505400000000, -0.0002687200000000, -0.0000081900000000 ] - [ -0.0000695800000000, -0.0004147100000000, -0.0002913700000000 ] - [ 0.0000865100000000, 0.0003143900000000, 0.0011539600000000 ] - [ -0.0001583100000000, 0.0003656400000000, 0.0004820000000000 ] - [ -0.0000568600000000, -0.0000838900000000, -0.0000166400000000 ] - [ 0.0001994700000000, -0.0000611800000000, -0.0000177200000000 ] - [ -0.0000486600000000, 0.0001672800000000, 0.0002592700000000 ] - [ 0.0001593600000000, 0.0001824700000000, 0.0002200500000000 ] - [ 0.0000246100000000, 0.0003423600000000, 0.0004454100000000 ] - [ 0.0001068300000000, 0.0000962200000000, 0.0005645400000000 ] - [ -0.0000347700000000, -0.0000082400000000, 0.0006566200000000 ] - [ -0.0001933300000000, 0.0001246500000000, 0.0007300400000000 ] - [ -0.0002020500000000, -0.0001972900000000, -0.0000866700000000 ] - [ -0.0000534200000000, 0.0001615200000000, -0.0001374000000000 ] - [ -0.0003425300000000, 0.0004768000000000, 0.0004055800000000 ] - [ 0.0001236500000000, 0.0000660300000000, 0.0000125100000000 ] - [ 0.0001681800000000, 0.0000104400000000, 0.0000755400000000 ] - [ -0.0010404800000000, 0.0018448900000000, 0.0096025400000000 ] - [ 0.0001055600000000, 0.0003840900000000, 0.0002032300000000 ] - [ 0.0002884800000000, -0.0017557400000000, 0.0014908400000000 ] - [ -0.0001723000000000, 0.0004383600000000, -0.0001597300000000 ] - [ 0.0001816700000000, 0.0003209600000000, -0.0001531300000000 ] - [ -0.0005268900000000, -0.0001411000000000, -0.0023776700000000 ] - [ 0.0001682400000000, -0.0008617600000000, -0.0008443400000000 ] - [ -0.0007808300000000, 0.0075320000000000, 0.0045144900000000 ] - [ -0.0016401100000000, -0.0024976400000000, 0.0011116800000000 ] - [ -0.0000571300000000, 0.0014019000000000, 0.0017072800000000 ] - [ -0.0001016800000000, 0.0008428800000000, 0.0005500100000000 ] - [ 0.0034833600000000, 0.0015274000000000, 0.0030249300000000 ] - [ -0.0000701800000000, 0.0008925200000000, 0.0002865500000000 ] - [ 0.0003495200000000, -0.0000862600000000, -0.0003290600000000 ] - [ 0.0004395900000000, 0.0006279200000000, 0.0004189200000000 ] - [ 0.0008249700000000, -0.0007939000000000, 0.0059017200000000 ] - [ -0.0002446100000000, 0.0004382800000000, 0.0002667600000000 ] - [ -0.0010315200000000, -0.0001180400000000, 0.0010208800000000 ] - [ 0.0006311400000000, -0.0005258500000000, 0.0007814500000000 ] - [ 0.0003684700000000, 0.0008817700000000, 0.0007940100000000 ] - [ -0.0006804200000000, -0.0002070100000000, 0.0002022400000000 ] - [ 0.0004930200000000, 0.0003204300000000, 0.0051093300000000 ] - [ 0.0006353400000000, -0.0008786300000000, 0.0011385000000000 ] - [ 0.0018614500000000, 0.0004510300000000, 0.0057106900000000 ] - [ 0.0007757100000000, 0.0002048100000000, 0.0005605100000000 ] - [ 0.0004550100000000, -0.0000670600000000, -0.0005028300000000 ] - [ -0.0009480100000000, -0.0008062700000000, -0.0010344700000000 ] - [ 0.0008324900000000, -0.0001508600000000, -0.0015505800000000 ] - [ -0.0003289400000000, 0.0004570700000000, -0.0007081000000000 ] - [ -0.0000925000000000, -0.0002065600000000, -0.0003281300000000 ] - [ -0.0001354400000000, -0.0000691900000000, -0.0007331400000000 ] - [ -0.0010087700000000, -0.0003643200000000, -0.0020518600000000 ] - [ 0.0003516200000000, -0.0003241200000000, -0.0004890100000000 ] - [ -0.0002052400000000, -0.0000384300000000, -0.0002882300000000 ] - [ 0.0009998600000000, 0.0004348500000000, -0.0020414000000000 ] - [ 0.0001854500000000, 0.0000482300000000, -0.0005465700000000 ] - [ -0.0002125400000000, 0.0001295300000000, -0.0003179600000000 ] - [ 0.0001564200000000, -0.0006838300000000, -0.0014425700000000 ] - [ -0.0002711100000000, 0.0002887800000000, -0.0005206600000000 ] - [ 0.0000204400000000, 0.0000194400000000, -0.0005208300000000 ] - [ -0.0007521900000000, 0.0007561000000000, -0.0008708200000000 ] - [ 0.0003424600000000, 0.0001951200000000, 0.0003337900000000 ] - [ -0.0009889000000000, -0.0010123400000000, 0.0007745500000000 ] - [ -0.0002107600000000, -0.0004965400000000, 0.0005288700000000 ] - [ 0.0011384900000000, -0.0025585100000000, 0.0064837100000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0003014900000000, -0.0021065700000000, 0.0026810700000000 ] - [ -0.0003060800000000, -0.0000105300000000, 0.0012231900000000 ] - [ 0.0019948000000000, 0.0002787700000000, 0.0018524500000000 ] - [ 0.0002441100000000, -0.0000276900000000, -0.0000431700000000 ] - [ 0.0001041900000000, -0.0001711000000000, 0.0002692800000000 ] - [ 0.0002780700000000, 0.0000609800000000, 0.0006340300000000 ] - [ -0.0005503900000000, -0.0003873200000000, 0.0023514200000000 ] - [ 0.0000202000000000, -0.0002920200000000, 0.0003850300000000 ] - [ 0.0031809400000000, 0.0040885300000000, 0.0345745200000000 ] - [ 0.0001183900000000, 0.0000510800000000, 0.0005341800000000 ] - [ -0.0000820400000000, -0.0003020100000000, -0.0001077200000000 ] - [ -0.0000119000000000, -0.0000480100000000, -0.0002261000000000 ] - [ -0.0024764100000000, -0.0000032900000000, -0.0013627000000000 ] - [ 0.0000997500000000, -0.0001543000000000, -0.0000141900000000 ] - [ 0.0003594300000000, -0.0002239700000000, 0.0000483100000000 ] - [ -0.0003368300000000, 0.0023468600000000, -0.0017638600000000 ] - [ 0.0012725800000000, -0.0000800800000000, -0.0008349700000000 ] - [ 0.0001300200000000, -0.0000594500000000, 0.0001801300000000 ] - [ -0.0004817300000000, -0.0004885600000000, -0.0004529500000000 ] - [ 0.0003009500000000, -0.0003424800000000, -0.0001669800000000 ] - [ 0.0001414900000000, 0.0004429600000000, -0.0006920300000000 ] - [ -0.0000732000000000, 0.0003933000000000, -0.0000231000000000 ] - [ -0.0002305000000000, 0.0000217300000000, -0.0003589700000000 ] - [ 0.0000909000000000, 0.0000026000000000, -0.0003576700000000 ] - [ -0.0001314100000000, 0.0000622200000000, -0.0003479400000000 ] - [ 0.0000234300000000, 0.0000482500000000, -0.0003083200000000 ] - [ -0.0000886800000000, 0.0000279000000000, -0.0004317000000000 ] - [ -0.0000449800000000, 0.0002773000000000, -0.0005515700000000 ] - [ 0.0002044300000000, 0.0000866200000000, -0.0001588300000000 ] - [ 0.0000214900000000, -0.0000497400000000, -0.0002335500000000 ] - [ 0.0003744500000000, 0.0002811100000000, -0.0004053200000000 ] - [ -0.0001155600000000, -0.0000809000000000, -0.0003551200000000 ] - [ 0.0002840500000000, -0.0001107300000000, -0.0004150700000000 ] - [ -0.0000619000000000, 0.0003022200000000, -0.0000249800000000 ] - [ 0.0000128600000000, 0.0002201700000000, 0.0000154200000000 ] - [ 0.0008735900000000, -0.0016481700000000, -0.0096572000000000 ] - [ -0.0003977400000000, -0.0004455800000000, 0.0001744900000000 ] - [ -0.0000070800000000, 0.0017129800000000, -0.0011187800000000 ] - [ -0.0000570000000000, 0.0003202000000000, -0.0002967600000000 ] - [ 0.0000485600000000, 0.0004363500000000, -0.0003024100000000 ] - [ 0.0007399800000000, -0.0015169800000000, 0.0025526400000000 ] - [ -0.0003963200000000, -0.0008080000000000, 0.0010259500000000 ] - [ 0.0005733400000000, -0.0091336600000000, -0.0047009400000000 ] - [ 0.0018635400000000, 0.0008192800000000, -0.0012920200000000 ] - [ 0.0002996700000000, 0.0002736300000000, -0.0015275600000000 ] - [ -0.0001257100000000, 0.0008271600000000, -0.0003717700000000 ] - [ -0.0032713100000000, 0.0001555900000000, -0.0032044200000000 ] - [ -0.0001584700000000, 0.0007829600000000, -0.0004669900000000 ] - [ -0.0003833400000000, 0.0004658100000000, -0.0000145900000000 ] - [ -0.0004054100000000, -0.0002480900000000, -0.0007650500000000 ] - [ -0.0010273000000000, 0.0012381400000000, -0.0063638500000000 ] - [ 0.0005491900000000, 0.0001257800000000, -0.0006354600000000 ] - [ 0.0011592100000000, -0.0002014900000000, -0.0009806900000000 ] - [ -0.0007593300000000, 0.0002077600000000, -0.0007401700000000 ] - [ 0.0001508800000000, -0.0009081000000000, -0.0009340000000000 ] - [ 0.0001673000000000, 0.0001799200000000, -0.0003477000000000 ] - [ -0.0001020700000000, -0.0004666000000000, -0.0048689900000000 ] - [ -0.0011479500000000, 0.0008488700000000, -0.0009847600000000 ] - [ -0.0018875600000000, -0.0006630300000000, -0.0056729500000000 ] - [ -0.0006469700000000, -0.0005231000000000, -0.0005954500000000 ] - [ -0.0007633700000000, 0.0006359700000000, 0.0008779500000000 ] - [ 0.0012453800000000, 0.0013655300000000, 0.0014045300000000 ] - [ -0.0007906400000000, 0.0005210000000000, 0.0018874400000000 ] - [ 0.0002994400000000, -0.0000762300000000, 0.0010559400000000 ] - [ 0.0001280500000000, -0.0001740400000000, -0.0000118700000000 ] - [ 0.0000953800000000, -0.0003120900000000, 0.0003966100000000 ] - [ 0.0006938100000000, -0.0001958100000000, 0.0016668600000000 ] - [ -0.0000456000000000, -0.0002399800000000, 0.0001198300000000 ] - [ 0.0000790800000000, 0.0003606100000000, 0.0003254300000000 ] - [ -0.0008737900000000, -0.0001245200000000, 0.0020876600000000 ] - [ 0.0003271600000000, -0.0000166900000000, 0.0003983300000000 ] - [ -0.0003053500000000, -0.0001031300000000, 0.0001724100000000 ] - [ 0.0003771400000000, 0.0007079400000000, 0.0015914400000000 ] - [ -0.0002435300000000, -0.0002613800000000, 0.0006650100000000 ] - [ -0.0001501300000000, 0.0003018800000000, 0.0004844700000000 ] - [ 0.0008775300000000, -0.0004341600000000, 0.0008329500000000 ] - [ -0.0000361500000000, -0.0007604300000000, 0.0000364700000000 ] - [ 0.0006821500000000, 0.0004468900000000, -0.0004023800000000 ] - [ 0.0002476800000000, 0.0001158100000000, -0.0001882900000000 ] - [ -0.0014593700000000, 0.0023573700000000, -0.0064235700000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0189420600000000, -0.0017075400000000, 0.0031068200000000 ] - [ 0.0007662200000000, -0.0002584900000000, 0.0002617100000000 ] - [ -0.0066231400000000, 0.0019010500000000, -0.0023002900000000 ] - [ 0.0054919200000000, -0.0072098100000000, -0.0005351900000000 ] - [ 0.0187663800000000, 0.0042747000000000, -0.0024249700000000 ] - [ -0.0014360700000000, 0.0003150900000000, 0.0002842900000000 ] - [ 0.0018261900000000, -0.0000964500000000, 0.0001738200000000 ] - [ 0.0034643300000000, 0.0054102400000000, 0.0013763200000000 ] - [ 0.0024402400000000, -0.0042643500000000, -0.0003862800000000 ] - [ 0.0024746100000000, -0.0001657200000000, -0.0000340300000000 ] - [ -0.0050499400000000, 0.0009922400000000, -0.0009453200000000 ] - [ 0.0020131400000000, 0.0020888900000000, 0.0015053900000000 ] - [ -0.0040734100000000, -0.0002308300000000, 0.0000903700000000 ] - [ 0.0002641000000000, -0.0012994400000000, 0.0010824500000000 ] - [ 0.0008876100000000, -0.0001601700000000, 0.0000848800000000 ] - [ 0.0034231600000000, -0.0029603400000000, -0.0064019400000000 ] - [ 0.0007635800000000, -0.0000940000000000, -0.0000076600000000 ] - [ 0.0025371400000000, 0.0021059500000000, -0.0024543000000000 ] - [ -0.0011510400000000, 0.0001601300000000, -0.0001324300000000 ] - [ 0.0038319000000000, -0.0011605100000000, 0.0068868800000000 ] - [ 0.0002581900000000, 0.0003139000000000, 0.0001653000000000 ] - [ 0.0006105700000000, 0.0003396700000000, 0.0001130100000000 ] - [ -0.0015139200000000, -0.0003648300000000, -0.0004367100000000 ] - [ 0.0002222300000000, -0.0000784200000000, -0.0001298800000000 ] - [ 0.0001749900000000, 0.0003272000000000, 0.0002858900000000 ] - [ -0.0009351100000000, 0.0002104000000000, -0.0006028900000000 ] - [ 0.0006211700000000, 0.0001758800000000, -0.0000538100000000 ] - [ 0.0000652900000000, 0.0003338700000000, -0.0000807400000000 ] - [ 0.0006285800000000, 0.0000872100000000, 0.0002366500000000 ] - [ 0.0001195500000000, -0.0000709800000000, 0.0000723400000000 ] - [ -0.0008513100000000, -0.0002650900000000, -0.0002036900000000 ] - [ 0.0021952600000000, 0.0011321200000000, -0.0036403400000000 ] - [ -0.0069925500000000, 0.0020452500000000, 0.0005977300000000 ] - [ 0.0002616800000000, -0.0002000500000000, -0.0002753800000000 ] - [ 0.0014781800000000, 0.0000927500000000, 0.0000474000000000 ] - [ 0.0015595400000000, -0.0016995200000000, 0.0024636700000000 ] - [ 0.0018003300000000, -0.0002626400000000, 0.0004576800000000 ] - [ 0.0004141400000000, -0.0000216100000000, 0.0003793500000000 ] - [ -0.0030630700000000, -0.0016037100000000, -0.0020013500000000 ] - [ -0.0000217000000000, 0.0016311100000000, -0.0014376100000000 ] - [ -0.1542137500000000, -0.0117665000000000, 0.0145007600000000 ] - [ 0.0006525900000000, -0.0004684600000000, -0.0001164100000000 ] - [ 0.0003492900000000, 0.0007255000000000, -0.0007595800000000 ] - [ 0.0099602400000000, 0.0011337000000000, 0.0007483900000000 ] - [ -0.0032658100000000, 0.0009926500000000, 0.0014727500000000 ] - [ 0.0006588000000000, 0.0001222200000000, -0.0010736100000000 ] - [ 0.0036108200000000, 0.0014842700000000, -0.0004685600000000 ] - [ -0.0004927700000000, 0.0031953500000000, 0.0044748900000000 ] - [ 0.0285007100000000, -0.0069071400000000, -0.0204906900000000 ] - [ 0.0015300200000000, -0.0002974400000000, 0.0007019400000000 ] - [ 0.0346445000000000, -0.0195672400000000, 0.0161570000000000 ] - [ -0.0017666400000000, 0.0013868200000000, 0.0000671900000000 ] - [ 0.0328029000000000, 0.0144438500000000, -0.0158402300000000 ] - [ -0.0021261500000000, -0.0008039000000000, -0.0003105500000000 ] - [ 0.0291233600000000, 0.0197434000000000, 0.0101317300000000 ] - [ 0.0017290100000000, 0.0021459400000000, -0.0014690800000000 ] - [ -0.0069502600000000, 0.0004216400000000, 0.0031043600000000 ] - [ -0.0025985900000000, -0.0020148000000000, 0.0005658500000000 ] - [ 0.0027174300000000, 0.0003616100000000, 0.0010106500000000 ] - [ -0.0103485000000000, 0.0011627500000000, -0.0046782500000000 ] - [ -0.0030338600000000, 0.0006721600000000, -0.0005383000000000 ] - [ 0.0006776800000000, -0.0018100300000000, 0.0014824000000000 ] - [ -0.0009289600000000, -0.0000203700000000, 0.0006525900000000 ] - [ -0.0033636800000000, 0.0010112700000000, 0.0008755500000000 ] - [ 0.0023356900000000, 0.0011848100000000, -0.0015282700000000 ] - [ 0.0011542800000000, -0.0011719900000000, -0.0023567600000000 ] - [ 0.0019585900000000, 0.0014108600000000, 0.0011758500000000 ] - [ -0.0008459200000000, 0.0002135100000000, -0.0001856800000000 ] - [ -0.0021762300000000, 0.0004484500000000, 0.0009446600000000 ] - [ 0.0009885400000000, 0.0002391700000000, -0.0013375400000000 ] - [ 0.0022601100000000, -0.0019383600000000, 0.0013094200000000 ] - [ 0.0003901700000000, 0.0009129200000000, 0.0009641800000000 ] - [ -0.0017103900000000, 0.0009442800000000, -0.0003206700000000 ] - [ -0.0014820900000000, -0.0006921400000000, -0.0005027400000000 ] - [ 0.0029876000000000, -0.0001118400000000, -0.0003297700000000 ] - [ -0.0006232000000000, 0.0002474800000000, -0.0000429100000000 ] - [ 0.0020151200000000, -0.0016203200000000, -0.0017077900000000 ] - [ -0.0048361200000000, -0.0029555600000000, 0.0027627600000000 ] - [ -0.0043216700000000, -0.0026625300000000, -0.0031927100000000 ] - [ -0.0025538400000000, 0.0004408400000000, -0.0010399600000000 ]- atom: 41 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0189338200000000, 0.0009680400000000, -0.0027029900000000 ] - [ -0.0009965900000000, -0.0005002800000000, 0.0001956600000000 ] - [ 0.0063169200000000, -0.0019041300000000, 0.0019327900000000 ] - [ -0.0051912300000000, 0.0072008000000000, 0.0001569000000000 ] - [ -0.0187253000000000, -0.0044361400000000, 0.0022958500000000 ] - [ 0.0016202000000000, -0.0005418700000000, -0.0003726700000000 ] - [ -0.0018843700000000, -0.0002599900000000, -0.0001638500000000 ] - [ -0.0034075300000000, -0.0058248900000000, -0.0013764300000000 ] - [ -0.0026003300000000, 0.0042163100000000, 0.0008762500000000 ] - [ -0.0023025700000000, 0.0000744700000000, 0.0005266100000000 ] - [ 0.0052467500000000, -0.0010356800000000, 0.0004144700000000 ] - [ -0.0021867300000000, -0.0021538800000000, -0.0019936900000000 ] - [ 0.0040090500000000, -0.0001570600000000, -0.0001199800000000 ] - [ -0.0002143400000000, 0.0009231800000000, -0.0010914200000000 ] - [ -0.0007075200000000, -0.0000719400000000, 0.0000050500000000 ] - [ -0.0035926100000000, 0.0027527800000000, 0.0065444800000000 ] - [ -0.0010539600000000, 0.0001613400000000, 0.0003852900000000 ] - [ -0.0022502200000000, -0.0020629900000000, 0.0028496600000000 ] - [ 0.0009210500000000, -0.0009192900000000, -0.0003285200000000 ] - [ -0.0036121300000000, 0.0003959700000000, -0.0072946500000000 ] - [ -0.0000183400000000, 0.0004457600000000, 0.0002960500000000 ] - [ -0.0008416000000000, 0.0004161100000000, 0.0003463300000000 ] - [ 0.0012249600000000, 0.0003049700000000, 0.0000595800000000 ] - [ 0.0000674200000000, 0.0000186500000000, -0.0002439500000000 ] - [ -0.0003586900000000, -0.0000953300000000, -0.0003728900000000 ] - [ 0.0011178800000000, 0.0000212200000000, 0.0005142600000000 ] - [ -0.0006789600000000, 0.0001926000000000, 0.0000710400000000 ] - [ -0.0000013500000000, 0.0000322700000000, 0.0000938200000000 ] - [ -0.0004558600000000, -0.0000091700000000, 0.0002583700000000 ] - [ -0.0002820600000000, 0.0001503500000000, 0.0004271100000000 ] - [ 0.0010209000000000, 0.0003436400000000, -0.0002891400000000 ] - [ -0.0023623200000000, -0.0010468200000000, 0.0031192200000000 ] - [ 0.0069363500000000, -0.0016860400000000, -0.0005346500000000 ] - [ -0.0002055800000000, 0.0005656300000000, 0.0002605900000000 ] - [ -0.0013005000000000, 0.0001342300000000, 0.0000368300000000 ] - [ -0.0017282100000000, 0.0019363500000000, -0.0023837400000000 ] - [ -0.0020893500000000, 0.0002037900000000, -0.0000921700000000 ] - [ -0.0001155500000000, -0.0000421500000000, -0.0000056100000000 ] - [ 0.0028146400000000, 0.0023647900000000, 0.0015537300000000 ] - [ 0.0002419400000000, -0.0008699400000000, 0.0009777700000000 ] - [ 0.1547649400000000, 0.0095256000000000, -0.0139928000000000 ] - [ -0.0009001200000000, -0.0011875900000000, 0.0002788300000000 ] - [ -0.0005510900000000, -0.0023898700000000, 0.0005931700000000 ] - [ -0.0097294300000000, -0.0027873400000000, -0.0008863100000000 ] - [ 0.0034843500000000, 0.0006638000000000, -0.0012940400000000 ] - [ -0.0009001100000000, 0.0015238600000000, 0.0012463400000000 ] - [ -0.0033776500000000, 0.0001861300000000, 0.0002933400000000 ] - [ 0.0003135900000000, -0.0015399200000000, -0.0046738400000000 ] - [ -0.0279517800000000, 0.0069534400000000, 0.0192225600000000 ] - [ -0.0014731700000000, 0.0006889300000000, -0.0010370900000000 ] - [ -0.0355135800000000, 0.0209925300000000, -0.0172691300000000 ] - [ 0.0020824000000000, -0.0008102000000000, -0.0004389900000000 ] - [ -0.0336520800000000, -0.0155394100000000, 0.0167443200000000 ] - [ 0.0020099600000000, 0.0004759500000000, 0.0003490100000000 ] - [ -0.0280802700000000, -0.0189331000000000, -0.0098097200000000 ] - [ -0.0022234500000000, -0.0021876500000000, 0.0013253000000000 ] - [ 0.0075049100000000, -0.0004785100000000, -0.0029751000000000 ] - [ 0.0020766700000000, 0.0020054700000000, -0.0004253600000000 ] - [ -0.0028632700000000, -0.0006649100000000, -0.0010361100000000 ] - [ 0.0104227500000000, -0.0014493200000000, 0.0046031000000000 ] - [ 0.0027429200000000, -0.0001232600000000, 0.0008940500000000 ] - [ -0.0003798900000000, 0.0023712600000000, -0.0011107400000000 ] - [ 0.0009702500000000, 0.0004010500000000, -0.0003204300000000 ] - [ 0.0033186100000000, -0.0006247200000000, -0.0005603700000000 ] - [ -0.0022719400000000, -0.0015745600000000, 0.0012052100000000 ] - [ -0.0011870200000000, 0.0007923400000000, 0.0020240400000000 ] - [ -0.0022764300000000, -0.0019728700000000, -0.0015447700000000 ] - [ 0.0011584800000000, -0.0007734500000000, -0.0001913000000000 ] - [ 0.0020586900000000, -0.0001235100000000, -0.0009017600000000 ] - [ -0.0008618600000000, 0.0000850700000000, 0.0013646300000000 ] - [ -0.0017259600000000, 0.0019687100000000, -0.0014640300000000 ] - [ -0.0008986900000000, -0.0008815700000000, -0.0011165000000000 ] - [ 0.0022201700000000, -0.0009173600000000, 0.0004660800000000 ] - [ 0.0009638500000000, 0.0007287500000000, 0.0006519000000000 ] - [ -0.0031365400000000, 0.0004163100000000, 0.0002867200000000 ] - [ 0.0007616600000000, 0.0000686100000000, 0.0000091600000000 ] - [ -0.0017298200000000, 0.0010537900000000, 0.0020740200000000 ] - [ 0.0045141700000000, 0.0023696000000000, -0.0023630400000000 ] - [ 0.0043750000000000, 0.0023115800000000, 0.0035729400000000 ] - [ 0.0025003500000000, -0.0008293500000000, 0.0013753700000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003376300000000, -0.0062330600000000, 0.0022455100000000 ] - [ -0.0001292000000000, 0.0002121400000000, 0.0002622000000000 ] - [ 0.0013724400000000, 0.0185394500000000, -0.0040589800000000 ] - [ -0.0063647800000000, 0.0036259700000000, 0.0006488600000000 ] - [ 0.0044833800000000, -0.0049122400000000, -0.0023951600000000 ] - [ 0.0001637000000000, 0.0033809700000000, -0.0000204100000000 ] - [ 0.0001465300000000, 0.0000375900000000, 0.0000201400000000 ] - [ 0.0049375300000000, 0.0038500500000000, 0.0007911900000000 ] - [ -0.0041676300000000, 0.0030372800000000, 0.0009310800000000 ] - [ 0.0003213200000000, 0.0001868100000000, 0.0002171600000000 ] - [ -0.0007302300000000, 0.0066092500000000, -0.0085379200000000 ] - [ 0.0022475400000000, 0.0020492300000000, 0.0014217000000000 ] - [ -0.0011235800000000, 0.0046055000000000, 0.0063807200000000 ] - [ -0.0010788500000000, -0.0001310500000000, -0.0007634800000000 ] - [ 0.0000128000000000, 0.0003052800000000, 0.0000157900000000 ] - [ -0.0012314800000000, -0.0038153900000000, 0.0006724100000000 ] - [ 0.0000132300000000, 0.0001803000000000, 0.0002611200000000 ] - [ 0.0020523500000000, 0.0015695200000000, -0.0016715900000000 ] - [ 0.0002135000000000, 0.0013645500000000, -0.0003065900000000 ] - [ 0.0006971600000000, -0.0040554200000000, 0.0008767000000000 ] - [ -0.0000719000000000, 0.0005241300000000, 0.0000721100000000 ] - [ -0.0000369000000000, 0.0004059300000000, 0.0002561800000000 ] - [ -0.0004500200000000, -0.0013380700000000, -0.0001369000000000 ] - [ 0.0002104700000000, 0.0006268600000000, -0.0002034800000000 ] - [ 0.0001978800000000, 0.0001149100000000, 0.0002772000000000 ] - [ 0.0000259400000000, 0.0004777900000000, -0.0004021200000000 ] - [ 0.0000023900000000, -0.0003633800000000, -0.0000187300000000 ] - [ 0.0000460000000000, 0.0007333600000000, 0.0000749100000000 ] - [ 0.0001255300000000, 0.0004923700000000, 0.0002356900000000 ] - [ -0.0001739000000000, -0.0008759500000000, -0.0003173500000000 ] - [ -0.0002501900000000, 0.0012965200000000, -0.0001944700000000 ] - [ -0.0006436000000000, -0.0014937000000000, 0.0004433000000000 ] - [ 0.0015603800000000, -0.0051732000000000, -0.0034587000000000 ] - [ 0.0000792800000000, 0.0008200000000000, -0.0000126300000000 ] - [ 0.0000732700000000, 0.0003854900000000, 0.0001324800000000 ] - [ -0.0018737100000000, 0.0017658000000000, -0.0022723200000000 ] - [ -0.0006040800000000, -0.0009156800000000, 0.0001447400000000 ] - [ 0.0003187200000000, 0.0011905000000000, 0.0001285000000000 ] - [ -0.0007204200000000, 0.0028796400000000, 0.0043540200000000 ] - [ 0.0012588800000000, 0.0008444000000000, -0.0015170000000000 ] - [ -0.0104100900000000, -0.1351679800000000, 0.0055536700000000 ] - [ -0.0004691300000000, 0.0046385700000000, 0.0015714200000000 ] - [ -0.0017000600000000, 0.0032996200000000, 0.0013039500000000 ] - [ 0.0020852000000000, -0.0036975800000000, -0.0001662300000000 ] - [ -0.0000383300000000, 0.0017953700000000, 0.0004373900000000 ] - [ -0.0008317800000000, 0.0010165600000000, 0.0002299500000000 ] - [ -0.0005175600000000, 0.0014377500000000, -0.0006528100000000 ] - [ 0.0022363100000000, -0.0010028900000000, 0.0028419800000000 ] - [ -0.0076549800000000, 0.0184049700000000, 0.0116276200000000 ] - [ -0.0020450600000000, -0.0040249500000000, -0.0002504900000000 ] - [ -0.0231351400000000, 0.0411081100000000, -0.0231031600000000 ] - [ 0.0004050800000000, -0.0009995900000000, -0.0001211500000000 ] - [ 0.0134517500000000, 0.0199636600000000, -0.0079873600000000 ] - [ -0.0002205200000000, -0.0019555200000000, 0.0004770300000000 ] - [ 0.0238682000000000, 0.0398244400000000, 0.0176610500000000 ] - [ 0.0039518100000000, -0.0077915900000000, 0.0006592700000000 ] - [ 0.0017703700000000, 0.0022745800000000, -0.0015269200000000 ] - [ -0.0007057700000000, -0.0025321400000000, 0.0009346100000000 ] - [ 0.0027412500000000, -0.0070736500000000, -0.0024123500000000 ] - [ 0.0015364500000000, 0.0024664300000000, 0.0013733700000000 ] - [ -0.0022178900000000, 0.0015551500000000, -0.0002454900000000 ] - [ -0.0009307200000000, -0.0028376600000000, 0.0006350600000000 ] - [ 0.0002119200000000, -0.0002790000000000, -0.0000078600000000 ] - [ -0.0016683600000000, 0.0011871000000000, 0.0007455200000000 ] - [ 0.0018591400000000, 0.0011546300000000, 0.0019550400000000 ] - [ -0.0001913100000000, -0.0020976100000000, -0.0018412800000000 ] - [ 0.0009211800000000, 0.0006556200000000, -0.0014938300000000 ] - [ 0.0005154300000000, -0.0009332400000000, -0.0002502700000000 ] - [ 0.0003826500000000, 0.0008234500000000, -0.0003538500000000 ] - [ 0.0004321100000000, -0.0016752000000000, 0.0005749100000000 ] - [ -0.0007462500000000, 0.0013585300000000, 0.0004528400000000 ] - [ -0.0001107000000000, -0.0011863600000000, -0.0004810800000000 ] - [ 0.0010806800000000, 0.0004171400000000, 0.0008362700000000 ] - [ -0.0008896000000000, -0.0009488500000000, -0.0003847700000000 ] - [ -0.0004897500000000, 0.0020635700000000, -0.0005751200000000 ] - [ 0.0000858400000000, -0.0005911800000000, 0.0001680500000000 ] - [ -0.0025456400000000, -0.0036478600000000, -0.0035758700000000 ] - [ -0.0007170900000000, 0.0007032500000000, 0.0012129900000000 ] - [ -0.0011853900000000, 0.0011363000000000, -0.0010141800000000 ] - [ 0.0013136400000000, -0.0016464000000000, 0.0006161900000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006307500000000, 0.0054697200000000, -0.0017839600000000 ] - [ -0.0001017600000000, -0.0009700000000000, 0.0001923900000000 ] - [ -0.0016334900000000, -0.0182569500000000, 0.0036121000000000 ] - [ 0.0066993000000000, -0.0035554400000000, -0.0010386100000000 ] - [ -0.0047150600000000, 0.0046337600000000, 0.0023016700000000 ] - [ 0.0000158400000000, -0.0036179000000000, -0.0000765600000000 ] - [ -0.0002077800000000, -0.0004123700000000, -0.0000098900000000 ] - [ -0.0049229400000000, -0.0042284600000000, -0.0007889300000000 ] - [ 0.0039547300000000, -0.0031089800000000, -0.0004380000000000 ] - [ -0.0001522900000000, -0.0002568700000000, 0.0002772400000000 ] - [ 0.0009100300000000, -0.0067028500000000, 0.0081256100000000 ] - [ -0.0024018400000000, -0.0021224300000000, -0.0019038500000000 ] - [ 0.0010495100000000, -0.0049645800000000, -0.0063205000000000 ] - [ 0.0011478500000000, -0.0002296000000000, 0.0007580900000000 ] - [ 0.0001667800000000, -0.0005318800000000, 0.0000776100000000 ] - [ 0.0010690300000000, 0.0035808800000000, -0.0005984800000000 ] - [ -0.0003004100000000, -0.0001253500000000, 0.0001175200000000 ] - [ -0.0017764200000000, -0.0015044400000000, 0.0020610700000000 ] - [ -0.0004427900000000, -0.0021218500000000, -0.0001407200000000 ] - [ -0.0004864800000000, 0.0032803600000000, -0.0013514700000000 ] - [ 0.0003028400000000, 0.0002318500000000, 0.0003866100000000 ] - [ -0.0001958800000000, 0.0003566200000000, 0.0002016700000000 ] - [ 0.0001624100000000, 0.0012768000000000, -0.0002435200000000 ] - [ 0.0000767500000000, -0.0006846400000000, -0.0001738000000000 ] - [ -0.0003786700000000, 0.0001113900000000, -0.0003673300000000 ] - [ 0.0001556800000000, -0.0002406600000000, 0.0003140600000000 ] - [ -0.0000665500000000, 0.0007351800000000, 0.0000283400000000 ] - [ 0.0000159300000000, -0.0003611500000000, -0.0000634700000000 ] - [ 0.0000455900000000, -0.0004145100000000, 0.0002611100000000 ] - [ 0.0000050300000000, 0.0009514600000000, 0.0008145400000000 ] - [ 0.0004183000000000, -0.0012176800000000, -0.0003085100000000 ] - [ 0.0004650100000000, 0.0015699800000000, -0.0009317500000000 ] - [ -0.0016147600000000, 0.0055035900000000, 0.0035178600000000 ] - [ -0.0000146200000000, -0.0004464700000000, -0.0000031400000000 ] - [ 0.0001053500000000, -0.0001492300000000, -0.0000428600000000 ] - [ 0.0016815300000000, -0.0015394000000000, 0.0023486900000000 ] - [ 0.0003171300000000, 0.0008559900000000, 0.0002356900000000 ] - [ -0.0000363400000000, -0.0012535100000000, 0.0002462400000000 ] - [ 0.0004982200000000, -0.0021093000000000, -0.0048435900000000 ] - [ -0.0010225600000000, -0.0000930700000000, 0.0010492100000000 ] - [ 0.0108538000000000, 0.1318088300000000, -0.0053224100000000 ] - [ 0.0002777200000000, -0.0063360700000000, -0.0013810400000000 ] - [ 0.0014404100000000, -0.0049824700000000, -0.0014789900000000 ] - [ -0.0018570300000000, 0.0020042300000000, -0.0000379700000000 ] - [ 0.0002698200000000, -0.0001171200000000, -0.0002321000000000 ] - [ 0.0006004900000000, 0.0006906200000000, -0.0000225300000000 ] - [ 0.0007523700000000, 0.0002425300000000, 0.0004575300000000 ] - [ -0.0024768400000000, 0.0027373900000000, -0.0030521200000000 ] - [ 0.0077819800000000, -0.0179963700000000, -0.0122120700000000 ] - [ 0.0020489800000000, 0.0043775400000000, -0.0000971300000000 ] - [ 0.0218597700000000, -0.0398041400000000, 0.0218081400000000 ] - [ -0.0000899600000000, 0.0015695300000000, -0.0002585400000000 ] - [ -0.0138066800000000, -0.0204431600000000, 0.0083145200000000 ] - [ 0.0000984700000000, 0.0016356500000000, -0.0004316500000000 ] - [ -0.0222813400000000, -0.0389341800000000, -0.0170310700000000 ] - [ -0.0045306500000000, 0.0078229500000000, -0.0008047600000000 ] - [ -0.0012348500000000, -0.0022648700000000, 0.0016601700000000 ] - [ 0.0001815700000000, 0.0025154900000000, -0.0008021500000000 ] - [ -0.0028170400000000, 0.0066906000000000, 0.0023322700000000 ] - [ -0.0014110600000000, -0.0028096000000000, -0.0014128100000000 ] - [ 0.0018911000000000, -0.0009627300000000, 0.0006387500000000 ] - [ 0.0012594100000000, 0.0034182400000000, -0.0002598500000000 ] - [ -0.0001812700000000, 0.0006581900000000, 0.0003576600000000 ] - [ 0.0016468900000000, -0.0008216200000000, -0.0003788900000000 ] - [ -0.0018367800000000, -0.0015426000000000, -0.0023156200000000 ] - [ 0.0001690800000000, 0.0017332900000000, 0.0014591400000000 ] - [ -0.0012479500000000, -0.0012239400000000, 0.0011027600000000 ] - [ -0.0001868800000000, 0.0003416800000000, -0.0001470800000000 ] - [ -0.0004891400000000, -0.0004977800000000, 0.0003952800000000 ] - [ -0.0003195900000000, 0.0020131900000000, -0.0005231700000000 ] - [ 0.0012802300000000, -0.0013301300000000, -0.0005950000000000 ] - [ -0.0004306800000000, 0.0011826000000000, 0.0003522300000000 ] - [ -0.0005520900000000, -0.0003976100000000, -0.0007083500000000 ] - [ 0.0003558300000000, 0.0009530700000000, 0.0005166400000000 ] - [ 0.0003627200000000, -0.0017519700000000, 0.0005171400000000 ] - [ 0.0000226700000000, 0.0009260100000000, -0.0002184500000000 ] - [ 0.0029057900000000, 0.0030634300000000, 0.0040120200000000 ] - [ 0.0003953700000000, -0.0012693400000000, -0.0008230000000000 ] - [ 0.0012026900000000, -0.0015224500000000, 0.0013739800000000 ] - [ -0.0013303100000000, 0.0012850700000000, -0.0002498400000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0021426000000000, 0.0015660600000000, -0.0055317000000000 ] - [ -0.0000935100000000, -0.0004845300000000, -0.0004367100000000 ] - [ -0.0020896000000000, -0.0036823200000000, -0.0052756200000000 ] - [ -0.0019396700000000, 0.0022237400000000, -0.0035882600000000 ] - [ -0.0032803900000000, -0.0026748600000000, -0.0061035500000000 ] - [ 0.0003357400000000, -0.0001422100000000, -0.0013843800000000 ] - [ 0.0004741500000000, -0.0001373300000000, -0.0008895400000000 ] - [ -0.0004460700000000, -0.0012220500000000, -0.0032591100000000 ] - [ 0.0006544200000000, -0.0008324500000000, -0.0022104300000000 ] - [ -0.0005400700000000, -0.0000944900000000, -0.0006809000000000 ] - [ 0.0011136400000000, -0.0086792700000000, 0.0043516400000000 ] - [ 0.0013698600000000, 0.0016149200000000, 0.0009482200000000 ] - [ -0.0007136200000000, 0.0061864300000000, 0.0033651500000000 ] - [ 0.0009767200000000, -0.0010460700000000, -0.0001465300000000 ] - [ -0.0000442100000000, -0.0001685400000000, 0.0001817200000000 ] - [ -0.0061692600000000, 0.0022705800000000, 0.0044627400000000 ] - [ -0.0000544200000000, 0.0002363800000000, 0.0003243900000000 ] - [ -0.0017984400000000, -0.0015950300000000, 0.0023296900000000 ] - [ 0.0000374400000000, -0.0005277800000000, -0.0000774600000000 ] - [ 0.0070392400000000, -0.0003419700000000, 0.0049454400000000 ] - [ -0.0001104000000000, 0.0005599700000000, 0.0009662700000000 ] - [ -0.0000850100000000, 0.0002665900000000, 0.0008877700000000 ] - [ -0.0001396100000000, 0.0000591000000000, 0.0033174100000000 ] - [ 0.0002313700000000, -0.0000480600000000, 0.0002345600000000 ] - [ -0.0001812600000000, 0.0001012400000000, 0.0009278000000000 ] - [ -0.0002500300000000, 0.0000698100000000, 0.0016491400000000 ] - [ -0.0000811800000000, 0.0002391700000000, 0.0007739400000000 ] - [ -0.0000305400000000, 0.0002624700000000, 0.0007454300000000 ] - [ 0.0001450700000000, 0.0000325600000000, 0.0007148100000000 ] - [ 0.0000932500000000, -0.0002796800000000, 0.0018711200000000 ] - [ -0.0001182700000000, 0.0003516900000000, 0.0001321600000000 ] - [ -0.0032906700000000, -0.0009259500000000, 0.0028551100000000 ] - [ 0.0012454200000000, -0.0034946800000000, 0.0199210000000000 ] - [ -0.0001208800000000, 0.0004352800000000, 0.0001771300000000 ] - [ -0.0000447600000000, 0.0003485500000000, 0.0002213300000000 ] - [ 0.0016210500000000, -0.0017289700000000, 0.0021968600000000 ] - [ -0.0002115000000000, 0.0000224900000000, 0.0004085600000000 ] - [ 0.0003263800000000, -0.0000705600000000, 0.0002611200000000 ] - [ -0.0002952500000000, 0.0056523800000000, 0.0042946400000000 ] - [ -0.0008772200000000, -0.0011942700000000, 0.0001187100000000 ] - [ 0.0141943600000000, 0.0044436400000000, -0.1387134500000000 ] - [ 0.0000797400000000, 0.0006363700000000, -0.0023896400000000 ] - [ -0.0007805900000000, -0.0022234400000000, -0.0000708500000000 ] - [ -0.0007020700000000, -0.0007682100000000, 0.0000046700000000 ] - [ 0.0014944200000000, 0.0005157000000000, 0.0047300100000000 ] - [ 0.0010676500000000, 0.0006984300000000, 0.0050398700000000 ] - [ 0.0004902700000000, 0.0002753700000000, 0.0007290800000000 ] - [ 0.0044418900000000, 0.0037701600000000, 0.0012103800000000 ] - [ -0.0230127100000000, 0.0124714200000000, 0.0390858400000000 ] - [ 0.0012417400000000, 0.0007488300000000, 0.0013608600000000 ] - [ 0.0178335300000000, -0.0213997000000000, 0.0331959200000000 ] - [ 0.0003391100000000, -0.0012309000000000, 0.0011136700000000 ] - [ -0.0152369300000000, -0.0084872700000000, 0.0223102200000000 ] - [ -0.0002306000000000, -0.0010972900000000, 0.0006614900000000 ] - [ 0.0115493900000000, 0.0161097200000000, 0.0243143700000000 ] - [ -0.0019644700000000, 0.0014426500000000, 0.0022686100000000 ] - [ 0.0011046000000000, -0.0014128200000000, 0.0018666700000000 ] - [ 0.0007961300000000, 0.0014680800000000, 0.0005820400000000 ] - [ 0.0008918200000000, -0.0005357900000000, 0.0020609700000000 ] - [ -0.0009988200000000, 0.0011483400000000, 0.0029672100000000 ] - [ -0.0011167100000000, -0.0000310400000000, -0.0011938400000000 ] - [ 0.0007240300000000, 0.0022325900000000, -0.0014252900000000 ] - [ 0.0004565300000000, 0.0002576600000000, -0.0007948400000000 ] - [ 0.0012117700000000, 0.0002137700000000, -0.0017854400000000 ] - [ -0.0038019800000000, 0.0029531700000000, -0.0072586300000000 ] - [ 0.0002595800000000, -0.0007392600000000, -0.0022846000000000 ] - [ -0.0002515300000000, -0.0030866400000000, -0.0055144400000000 ] - [ 0.0000000600000000, -0.0000841900000000, -0.0008158900000000 ] - [ 0.0000038000000000, -0.0009774700000000, -0.0022949100000000 ] - [ 0.0004508800000000, 0.0002473000000000, -0.0017028800000000 ] - [ 0.0002351400000000, 0.0029937500000000, -0.0052263600000000 ] - [ 0.0009045600000000, -0.0002838300000000, -0.0024610700000000 ] - [ -0.0003359500000000, 0.0001832600000000, -0.0014188400000000 ] - [ -0.0011210600000000, -0.0007306300000000, -0.0010713900000000 ] - [ -0.0023690700000000, -0.0019311400000000, -0.0051387200000000 ] - [ -0.0002026100000000, 0.0005481400000000, -0.0007954000000000 ] - [ -0.0017383900000000, -0.0024799200000000, 0.0008434400000000 ] - [ 0.0014382400000000, 0.0013485200000000, 0.0008189100000000 ] - [ -0.0010643200000000, -0.0009717000000000, 0.0025772200000000 ] - [ -0.0010819300000000, 0.0006359700000000, 0.0006153300000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0018443400000000, -0.0023242800000000, 0.0060056600000000 ] - [ -0.0001332900000000, -0.0002738700000000, 0.0008964900000000 ] - [ 0.0017962700000000, 0.0036852200000000, 0.0049304700000000 ] - [ 0.0022142800000000, -0.0021571500000000, 0.0032458600000000 ] - [ 0.0030503300000000, 0.0024435000000000, 0.0060535800000000 ] - [ -0.0001580300000000, -0.0000823600000000, 0.0012981400000000 ] - [ -0.0005393200000000, -0.0002333900000000, 0.0009061400000000 ] - [ 0.0005299000000000, 0.0008704400000000, 0.0032655800000000 ] - [ -0.0008126500000000, 0.0007461900000000, 0.0027117500000000 ] - [ 0.0007110100000000, 0.0000214300000000, 0.0011812000000000 ] - [ -0.0009386500000000, 0.0085399700000000, -0.0048607900000000 ] - [ -0.0015375100000000, -0.0016820300000000, -0.0014533900000000 ] - [ 0.0006464300000000, -0.0065067800000000, -0.0033849200000000 ] - [ -0.0009069200000000, 0.0006720500000000, 0.0001235800000000 ] - [ 0.0002223700000000, -0.0000616900000000, -0.0000958900000000 ] - [ 0.0059331400000000, -0.0024837800000000, -0.0043666800000000 ] - [ -0.0002343100000000, -0.0001760100000000, 0.0000498300000000 ] - [ 0.0020749100000000, 0.0016484500000000, -0.0019491900000000 ] - [ -0.0002655600000000, -0.0002335500000000, -0.0003841800000000 ] - [ -0.0067458000000000, -0.0004135100000000, -0.0053875800000000 ] - [ 0.0003333300000000, 0.0002010600000000, -0.0005070300000000 ] - [ -0.0001412000000000, 0.0004924300000000, -0.0004335200000000 ] - [ -0.0001456600000000, -0.0001192000000000, -0.0036874700000000 ] - [ 0.0000577900000000, -0.0000154200000000, -0.0006147500000000 ] - [ 0.0000086500000000, 0.0001319400000000, -0.0010193200000000 ] - [ 0.0004252400000000, 0.0001509500000000, -0.0017400200000000 ] - [ 0.0000170900000000, 0.0001343700000000, -0.0007627200000000 ] - [ 0.0000958200000000, 0.0001088800000000, -0.0007340700000000 ] - [ 0.0000270800000000, 0.0000398200000000, -0.0002146300000000 ] - [ -0.0002747700000000, 0.0003540900000000, -0.0013719200000000 ] - [ 0.0002841600000000, -0.0002780800000000, -0.0006211900000000 ] - [ 0.0031587800000000, 0.0010128800000000, -0.0033693900000000 ] - [ -0.0013391900000000, 0.0039271400000000, -0.0201720800000000 ] - [ 0.0001864200000000, -0.0000681700000000, -0.0001836100000000 ] - [ 0.0002239300000000, -0.0001175800000000, -0.0001263300000000 ] - [ -0.0018069900000000, 0.0019666200000000, -0.0020985400000000 ] - [ -0.0000723200000000, -0.0000825900000000, -0.0000235400000000 ] - [ -0.0000363100000000, 0.0000069700000000, 0.0001223300000000 ] - [ 0.0000642200000000, -0.0049555200000000, -0.0047680800000000 ] - [ 0.0011091600000000, 0.0019631100000000, -0.0005643600000000 ] - [ -0.0142837900000000, -0.0064493000000000, 0.1399576600000000 ] - [ -0.0003243500000000, -0.0023326100000000, 0.0025793000000000 ] - [ 0.0005514800000000, 0.0005407700000000, -0.0001299100000000 ] - [ 0.0009399500000000, -0.0009122800000000, -0.0002094000000000 ] - [ -0.0012619500000000, 0.0011996000000000, -0.0045434700000000 ] - [ -0.0012718800000000, 0.0009692200000000, -0.0048531200000000 ] - [ -0.0002495700000000, 0.0014057900000000, -0.0008967400000000 ] - [ -0.0047148100000000, -0.0021110000000000, -0.0013537000000000 ] - [ 0.0241815700000000, -0.0126762200000000, -0.0405103700000000 ] - [ -0.0012142200000000, -0.0003692700000000, -0.0017337000000000 ] - [ -0.0188286700000000, 0.0227528100000000, -0.0339810100000000 ] - [ -0.0000201700000000, 0.0018095500000000, -0.0014994700000000 ] - [ 0.0147623300000000, 0.0078260900000000, -0.0219602600000000 ] - [ 0.0001204800000000, 0.0007771800000000, -0.0006126700000000 ] - [ -0.0106464200000000, -0.0156534800000000, -0.0243153200000000 ] - [ 0.0014424900000000, -0.0014673800000000, -0.0023881200000000 ] - [ -0.0005843600000000, 0.0014033300000000, -0.0017149200000000 ] - [ -0.0013277800000000, -0.0014846300000000, -0.0004399200000000 ] - [ -0.0010162000000000, 0.0002283700000000, -0.0020830100000000 ] - [ 0.0011199700000000, -0.0014815500000000, -0.0030011100000000 ] - [ 0.0007896200000000, 0.0006076500000000, 0.0015898000000000 ] - [ -0.0003964800000000, -0.0016444700000000, 0.0018210100000000 ] - [ -0.0004287400000000, 0.0001155200000000, 0.0011602000000000 ] - [ -0.0012241800000000, 0.0001547400000000, 0.0021615200000000 ] - [ 0.0037916800000000, -0.0032926600000000, 0.0068713600000000 ] - [ -0.0002909600000000, 0.0003647500000000, 0.0019411200000000 ] - [ -0.0000589400000000, 0.0024773600000000, 0.0051055600000000 ] - [ 0.0003096200000000, -0.0004833900000000, 0.0004450700000000 ] - [ -0.0001349600000000, 0.0013011300000000, 0.0023348700000000 ] - [ -0.0003297500000000, 0.0000766900000000, 0.0017352200000000 ] - [ 0.0002933800000000, -0.0030176500000000, 0.0051260000000000 ] - [ -0.0014368500000000, 0.0003097600000000, 0.0023238200000000 ] - [ 0.0008705100000000, -0.0001738700000000, 0.0015480300000000 ] - [ 0.0005901400000000, 0.0007447900000000, 0.0012046200000000 ] - [ 0.0023014100000000, 0.0022931600000000, 0.0051184300000000 ] - [ 0.0003137400000000, -0.0002203800000000, 0.0007497100000000 ] - [ 0.0020637300000000, 0.0019029000000000, -0.0004828800000000 ] - [ -0.0017616400000000, -0.0019298800000000, -0.0004516100000000 ] - [ 0.0010852800000000, 0.0005902300000000, -0.0022394100000000 ] - [ 0.0010418100000000, -0.0010039100000000, -0.0002686600000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0020968100000000, -0.0002998100000000, 0.0000974200000000 ] - [ -0.0006557700000000, -0.0003461300000000, 0.0000300400000000 ] - [ 0.0006790100000000, 0.0014873600000000, -0.0004977500000000 ] - [ 0.0081631900000000, -0.0037547900000000, 0.0024726900000000 ] - [ 0.0021252800000000, -0.0035639900000000, -0.0036643800000000 ] - [ 0.0006639800000000, -0.0004565200000000, 0.0000702600000000 ] - [ -0.0005622100000000, -0.0004879800000000, -0.0005163800000000 ] - [ -0.0010824700000000, -0.0011039600000000, -0.0001674800000000 ] - [ -0.0011176600000000, 0.0007857000000000, 0.0006187500000000 ] - [ -0.0016381200000000, 0.0004335600000000, -0.0001733800000000 ] - [ 0.0010743800000000, -0.0010763300000000, 0.0005588700000000 ] - [ 0.0005682300000000, 0.0002994400000000, 0.0000603000000000 ] - [ -0.0002077100000000, 0.0006621800000000, 0.0009362700000000 ] - [ 0.0004564000000000, 0.0001674300000000, -0.0005524400000000 ] - [ -0.0002425200000000, 0.0000678600000000, 0.0000570500000000 ] - [ -0.0011147900000000, 0.0005025200000000, 0.0010530400000000 ] - [ -0.0002977900000000, -0.0000141800000000, 0.0002250100000000 ] - [ -0.0006128600000000, -0.0004104400000000, 0.0007980000000000 ] - [ 0.0002014400000000, -0.0002305200000000, -0.0001519400000000 ] - [ 0.0013295000000000, -0.0011576200000000, -0.0001022100000000 ] - [ -0.0001699100000000, 0.0003903200000000, 0.0003427800000000 ] - [ -0.0008132200000000, 0.0006815400000000, 0.0004565400000000 ] - [ 0.0004943100000000, 0.0001150600000000, -0.0001486300000000 ] - [ 0.0003079400000000, 0.0001615300000000, -0.0000316200000000 ] - [ 0.0001298400000000, -0.0000625100000000, 0.0003723900000000 ] - [ 0.0006700000000000, -0.0002385000000000, -0.0001044000000000 ] - [ -0.0004901400000000, -0.0001785700000000, 0.0004467300000000 ] - [ -0.0001106700000000, 0.0000621400000000, -0.0000039400000000 ] - [ -0.0002276300000000, 0.0000379000000000, 0.0003635500000000 ] - [ -0.0007044600000000, 0.0002762600000000, 0.0001372000000000 ] - [ 0.0006416200000000, -0.0000952800000000, -0.0004818600000000 ] - [ 0.0063910400000000, 0.0008452600000000, -0.0016811900000000 ] - [ 0.0066244400000000, -0.0009892900000000, 0.0008059400000000 ] - [ 0.0002200100000000, 0.0007879600000000, 0.0002434000000000 ] - [ -0.0016727900000000, 0.0010459100000000, 0.0004283200000000 ] - [ -0.0010457300000000, 0.0008324900000000, -0.0007801400000000 ] - [ -0.0025744200000000, -0.0003195500000000, 0.0004566900000000 ] - [ -0.0003143100000000, -0.0002407900000000, 0.0000549100000000 ] - [ 0.0077661300000000, 0.0053037900000000, 0.0032617500000000 ] - [ 0.0009012500000000, -0.0007872400000000, 0.0000190500000000 ] - [ 0.0280817900000000, -0.0083824800000000, -0.0230456900000000 ] - [ 0.0014038800000000, 0.0012063900000000, -0.0011351200000000 ] - [ -0.0010531900000000, -0.0010351100000000, 0.0003447400000000 ] - [ -0.0032336800000000, -0.0024943800000000, -0.0013157900000000 ] - [ 0.0012679500000000, 0.0010193600000000, 0.0003655000000000 ] - [ 0.0022099900000000, 0.0026849900000000, 0.0038865600000000 ] - [ -0.0024235500000000, -0.0004891100000000, 0.0009691600000000 ] - [ -0.0044507000000000, -0.0003497600000000, -0.0011653100000000 ] - [ -0.0651930400000000, 0.0142074300000000, 0.0187180300000000 ] - [ -0.0012812300000000, -0.0003696600000000, -0.0000991600000000 ] - [ 0.0062920700000000, -0.0070946100000000, 0.0030791400000000 ] - [ 0.0010188900000000, -0.0032285700000000, 0.0009802800000000 ] - [ 0.0079937600000000, 0.0056806900000000, -0.0050886100000000 ] - [ 0.0000442400000000, -0.0005597800000000, 0.0005322400000000 ] - [ -0.0106924500000000, -0.0068974300000000, -0.0029221000000000 ] - [ -0.0020952800000000, -0.0003469900000000, 0.0006117000000000 ] - [ 0.0024711600000000, 0.0003863200000000, -0.0007313700000000 ] - [ 0.0010127900000000, 0.0003109400000000, 0.0001346800000000 ] - [ 0.0001945100000000, -0.0011783400000000, -0.0006070700000000 ] - [ 0.0040335700000000, 0.0003849900000000, 0.0063494100000000 ] - [ -0.0006588900000000, 0.0009430800000000, -0.0000334900000000 ] - [ 0.0000733600000000, 0.0009478900000000, -0.0000917000000000 ] - [ 0.0006377400000000, 0.0003569800000000, -0.0002176300000000 ] - [ 0.0018192800000000, -0.0002118300000000, 0.0001026900000000 ] - [ -0.0019181900000000, 0.0005924300000000, -0.0013509400000000 ] - [ -0.0003244600000000, -0.0006359600000000, -0.0007867600000000 ] - [ -0.0003215000000000, -0.0010387500000000, -0.0009358300000000 ] - [ 0.0005187000000000, -0.0010218900000000, -0.0005365500000000 ] - [ 0.0021216900000000, -0.0012576600000000, -0.0044614900000000 ] - [ -0.0000074900000000, 0.0001269400000000, 0.0005879000000000 ] - [ -0.0025446800000000, 0.0011397900000000, -0.0011527000000000 ] - [ -0.0019421500000000, -0.0008004300000000, -0.0004434000000000 ] - [ 0.0019562300000000, -0.0005171700000000, -0.0001739600000000 ] - [ 0.0012245300000000, 0.0004900900000000, 0.0005433600000000 ] - [ 0.0016236400000000, 0.0013872600000000, 0.0027427900000000 ] - [ -0.0002638300000000, 0.0003674400000000, -0.0005542800000000 ] - [ 0.0015454700000000, 0.0014434500000000, 0.0013570400000000 ] - [ 0.0043936000000000, 0.0054637900000000, -0.0011186100000000 ] - [ 0.0029640800000000, -0.0002457500000000, 0.0002940800000000 ] - [ 0.0018454100000000, -0.0001168400000000, 0.0010590600000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0023320800000000, -0.0004624400000000, 0.0003597000000000 ] - [ 0.0004264500000000, -0.0004140400000000, 0.0004279700000000 ] - [ -0.0009720400000000, -0.0014242200000000, 0.0001283700000000 ] - [ -0.0077407900000000, 0.0035678400000000, -0.0026609000000000 ] - [ -0.0021508000000000, 0.0034397100000000, 0.0036761300000000 ] - [ -0.0004886600000000, 0.0002231100000000, -0.0001593300000000 ] - [ 0.0005042600000000, 0.0001197200000000, 0.0005295500000000 ] - [ 0.0011417900000000, 0.0007442200000000, 0.0001785300000000 ] - [ 0.0009478700000000, -0.0008673300000000, -0.0001244100000000 ] - [ 0.0018058300000000, -0.0005073300000000, 0.0006626700000000 ] - [ -0.0009049300000000, 0.0010041300000000, -0.0010534100000000 ] - [ -0.0007418000000000, -0.0003772400000000, -0.0005567300000000 ] - [ 0.0001490800000000, -0.0010337000000000, -0.0009524600000000 ] - [ -0.0003955000000000, -0.0005344200000000, 0.0005416000000000 ] - [ 0.0004220000000000, -0.0002976300000000, 0.0000326200000000 ] - [ 0.0009380500000000, -0.0007348800000000, -0.0009676400000000 ] - [ 0.0000089100000000, 0.0000752900000000, 0.0001482600000000 ] - [ 0.0009020900000000, 0.0004743800000000, -0.0004251300000000 ] - [ -0.0004340200000000, -0.0005306500000000, -0.0003060800000000 ] - [ -0.0010999400000000, 0.0003973400000000, -0.0003578500000000 ] - [ 0.0003996000000000, 0.0003701400000000, 0.0001160800000000 ] - [ 0.0005832700000000, 0.0000796600000000, 0.0000016400000000 ] - [ -0.0007853200000000, -0.0001791800000000, -0.0002296000000000 ] - [ -0.0000180700000000, -0.0002241100000000, -0.0003424900000000 ] - [ -0.0003056600000000, 0.0002929900000000, -0.0004638100000000 ] - [ -0.0004926900000000, 0.0004689600000000, 0.0000121300000000 ] - [ 0.0004314900000000, 0.0005476400000000, -0.0004338500000000 ] - [ 0.0001675000000000, 0.0003068500000000, 0.0000155500000000 ] - [ 0.0004028300000000, 0.0000389000000000, 0.0001325600000000 ] - [ 0.0005295700000000, -0.0001999600000000, 0.0003578300000000 ] - [ -0.0004730900000000, 0.0001729100000000, -0.0000118200000000 ] - [ -0.0063593800000000, -0.0006106100000000, 0.0009269300000000 ] - [ -0.0068460100000000, 0.0014973300000000, -0.0009910100000000 ] - [ -0.0001596800000000, -0.0004228400000000, -0.0002565200000000 ] - [ 0.0018446900000000, -0.0008067000000000, -0.0003330300000000 ] - [ 0.0008643400000000, -0.0006029200000000, 0.0008716900000000 ] - [ 0.0022723800000000, 0.0002517800000000, -0.0000760100000000 ] - [ 0.0006023800000000, 0.0001775500000000, 0.0003190100000000 ] - [ -0.0080239200000000, -0.0046890200000000, -0.0038253000000000 ] - [ -0.0006656000000000, 0.0015540100000000, -0.0004774300000000 ] - [ -0.0283566500000000, 0.0070512600000000, 0.0241395500000000 ] - [ -0.0016188100000000, -0.0028951100000000, 0.0013210600000000 ] - [ 0.0008250100000000, -0.0006514900000000, -0.0005377800000000 ] - [ 0.0034606500000000, 0.0008117600000000, 0.0011197700000000 ] - [ -0.0010560400000000, 0.0006664500000000, -0.0001841700000000 ] - [ -0.0024175000000000, -0.0010021800000000, -0.0037069800000000 ] - [ 0.0026503300000000, 0.0021671700000000, -0.0011499900000000 ] - [ 0.0042271900000000, 0.0020422300000000, 0.0009864200000000 ] - [ 0.0653528100000000, -0.0142672700000000, -0.0197342000000000 ] - [ 0.0013053300000000, 0.0007458500000000, -0.0002616900000000 ] - [ -0.0066229900000000, 0.0077114600000000, -0.0034707700000000 ] - [ -0.0007041600000000, 0.0038016800000000, -0.0013643700000000 ] - [ -0.0078989000000000, -0.0060100600000000, 0.0051444600000000 ] - [ -0.0001581600000000, 0.0002351800000000, -0.0004848600000000 ] - [ 0.0112756300000000, 0.0069178300000000, 0.0027801900000000 ] - [ 0.0015565700000000, 0.0003514000000000, -0.0007549100000000 ] - [ -0.0019399200000000, -0.0003969000000000, 0.0008695000000000 ] - [ -0.0015479900000000, -0.0003238500000000, 0.0000011000000000 ] - [ -0.0003042800000000, 0.0008538800000000, 0.0005627200000000 ] - [ -0.0039304700000000, -0.0007190800000000, -0.0063774700000000 ] - [ 0.0003336100000000, -0.0003598300000000, 0.0004243300000000 ] - [ 0.0002537600000000, -0.0003661100000000, 0.0004822200000000 ] - [ -0.0006110300000000, 0.0000192600000000, 0.0005751300000000 ] - [ -0.0018442800000000, 0.0005858400000000, 0.0002573300000000 ] - [ 0.0019451000000000, -0.0009695300000000, 0.0009969100000000 ] - [ 0.0002970100000000, 0.0002616700000000, 0.0004321400000000 ] - [ 0.0000042000000000, 0.0004618100000000, 0.0005536100000000 ] - [ -0.0002012400000000, 0.0004410600000000, 0.0001512800000000 ] - [ -0.0022363700000000, 0.0015833000000000, 0.0044897000000000 ] - [ 0.0001250900000000, 0.0001991400000000, -0.0005454900000000 ] - [ 0.0030821800000000, -0.0011526400000000, 0.0010446000000000 ] - [ 0.0014032900000000, 0.0008159100000000, 0.0003211500000000 ] - [ -0.0014212600000000, 0.0005286800000000, 0.0003067700000000 ] - [ -0.0017594300000000, -0.0004814900000000, -0.0004098200000000 ] - [ -0.0017224000000000, -0.0010584500000000, -0.0028008100000000 ] - [ 0.0003696400000000, -0.0000375300000000, 0.0005053600000000 ] - [ -0.0012134600000000, -0.0020361900000000, -0.0009707700000000 ] - [ -0.0047136500000000, -0.0060199500000000, 0.0014967100000000 ] - [ -0.0029343900000000, -0.0001332900000000, 0.0000605600000000 ] - [ -0.0018726000000000, -0.0002571000000000, -0.0007025000000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0010076200000000, 0.0000710400000000, 0.0004026800000000 ] - [ 0.0002163400000000, -0.0007739900000000, 0.0003986800000000 ] - [ 0.0002480600000000, -0.0022973400000000, -0.0005801500000000 ] - [ -0.0040325000000000, 0.0103469400000000, -0.0039585500000000 ] - [ -0.0015826800000000, 0.0037103400000000, -0.0009474600000000 ] - [ -0.0006626600000000, -0.0016583800000000, 0.0005772100000000 ] - [ -0.0001796200000000, -0.0005922200000000, -0.0002686000000000 ] - [ -0.0003763100000000, 0.0003643100000000, 0.0008763900000000 ] - [ 0.0003664400000000, -0.0007245200000000, -0.0000308900000000 ] - [ 0.0009291500000000, 0.0002040800000000, 0.0006821100000000 ] - [ -0.0007679200000000, 0.0007605800000000, 0.0000901100000000 ] - [ -0.0006090700000000, -0.0006939800000000, -0.0005109800000000 ] - [ 0.0002578800000000, -0.0009036700000000, -0.0004778800000000 ] - [ 0.0002976800000000, 0.0000819700000000, 0.0006023500000000 ] - [ 0.0003408700000000, -0.0002717000000000, 0.0000940600000000 ] - [ 0.0004179700000000, -0.0002345600000000, -0.0005094400000000 ] - [ -0.0001035100000000, -0.0001418500000000, 0.0001829000000000 ] - [ 0.0003501400000000, 0.0003309800000000, -0.0001686200000000 ] - [ -0.0004869800000000, -0.0009214300000000, -0.0000161300000000 ] - [ -0.0005212200000000, 0.0004203100000000, -0.0007335100000000 ] - [ 0.0002090700000000, 0.0002767600000000, 0.0002727100000000 ] - [ 0.0000409700000000, 0.0004304000000000, 0.0000353900000000 ] - [ 0.0000172600000000, 0.0007210500000000, -0.0002451600000000 ] - [ 0.0002885600000000, -0.0006697900000000, -0.0003196700000000 ] - [ -0.0004308200000000, -0.0001176200000000, 0.0001581900000000 ] - [ -0.0002931300000000, 0.0002119500000000, -0.0007029600000000 ] - [ -0.0000359000000000, 0.0005392400000000, 0.0000229300000000 ] - [ 0.0000171000000000, -0.0001119500000000, -0.0001714600000000 ] - [ 0.0001852000000000, -0.0003130400000000, 0.0002610900000000 ] - [ -0.0000264000000000, 0.0004553600000000, 0.0001240900000000 ] - [ -0.0002315100000000, -0.0013118200000000, -0.0005484700000000 ] - [ 0.0020150800000000, 0.0066236200000000, -0.0027516500000000 ] - [ -0.0009523400000000, 0.0060789500000000, -0.0006839100000000 ] - [ 0.0005052200000000, -0.0012199900000000, -0.0004653700000000 ] - [ 0.0009812100000000, 0.0000361100000000, -0.0003162200000000 ] - [ 0.0003675100000000, -0.0003362500000000, 0.0005283400000000 ] - [ -0.0002587700000000, 0.0007325900000000, 0.0003895300000000 ] - [ -0.0000531500000000, -0.0007056300000000, 0.0000809900000000 ] - [ 0.0032776500000000, 0.0112585900000000, 0.0039543700000000 ] - [ -0.0005901500000000, -0.0021363300000000, 0.0005746400000000 ] - [ -0.0068601300000000, 0.0173224300000000, 0.0127263300000000 ] - [ 0.0003703800000000, -0.0050367400000000, 0.0006459200000000 ] - [ 0.0000925900000000, -0.0013098900000000, -0.0001632900000000 ] - [ 0.0009374600000000, 0.0001633100000000, -0.0001210100000000 ] - [ 0.0011039700000000, -0.0010696200000000, 0.0006473600000000 ] - [ 0.0012613500000000, 0.0021863200000000, -0.0030262900000000 ] - [ -0.0005187200000000, -0.0006186500000000, 0.0007295400000000 ] - [ -0.0026066400000000, 0.0021662300000000, -0.0008708400000000 ] - [ 0.0142490300000000, -0.0560294200000000, -0.0123752300000000 ] - [ 0.0005716700000000, 0.0028411200000000, 0.0002618800000000 ] - [ -0.0055700400000000, 0.0028367100000000, -0.0004144000000000 ] - [ -0.0016410300000000, 0.0032120000000000, -0.0011848600000000 ] - [ -0.0052523700000000, -0.0061350100000000, 0.0027974500000000 ] - [ -0.0006921800000000, 0.0010979500000000, -0.0005214100000000 ] - [ 0.0014615600000000, 0.0033136700000000, 0.0049746000000000 ] - [ -0.0007931400000000, 0.0031810900000000, -0.0025895400000000 ] - [ -0.0006117500000000, -0.0001606100000000, 0.0007361500000000 ] - [ -0.0008330800000000, -0.0002036400000000, -0.0003387300000000 ] - [ -0.0001500200000000, 0.0012420300000000, 0.0001066200000000 ] - [ -0.0012453800000000, -0.0025971600000000, -0.0014736800000000 ] - [ 0.0003619700000000, -0.0000628700000000, 0.0002193600000000 ] - [ 0.0006165400000000, 0.0002881400000000, 0.0005692100000000 ] - [ -0.0001534500000000, 0.0004886300000000, 0.0001722400000000 ] - [ -0.0004127200000000, -0.0000311700000000, 0.0006539800000000 ] - [ 0.0007952900000000, -0.0014520200000000, 0.0006936700000000 ] - [ 0.0004335100000000, 0.0010728600000000, -0.0003570900000000 ] - [ -0.0005952300000000, -0.0003754700000000, 0.0001077800000000 ] - [ -0.0004607200000000, 0.0000911000000000, 0.0000948800000000 ] - [ -0.0009274900000000, -0.0013723500000000, 0.0007356200000000 ] - [ -0.0003158900000000, 0.0013915400000000, 0.0004522200000000 ] - [ -0.0004077200000000, 0.0020507900000000, -0.0043789500000000 ] - [ -0.0010426700000000, 0.0016646400000000, 0.0034865800000000 ] - [ 0.0003202500000000, -0.0004694600000000, -0.0003053000000000 ] - [ -0.0000115600000000, 0.0005323100000000, 0.0005266600000000 ] - [ 0.0010398900000000, -0.0017612900000000, 0.0012570300000000 ] - [ -0.0003649600000000, 0.0013945500000000, -0.0002432100000000 ] - [ 0.0041127200000000, 0.0011716100000000, 0.0010915900000000 ] - [ 0.0037222700000000, 0.0018522700000000, -0.0008960100000000 ] - [ -0.0000409100000000, -0.0012607600000000, -0.0007538100000000 ] - [ -0.0000849600000000, 0.0008657200000000, 0.0004253100000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007833200000000, -0.0008278500000000, 0.0000532600000000 ] - [ -0.0004480100000000, 0.0000162900000000, 0.0000571600000000 ] - [ -0.0005285200000000, 0.0023549200000000, 0.0001953700000000 ] - [ 0.0046485900000000, -0.0106266800000000, 0.0038908000000000 ] - [ 0.0014840300000000, -0.0038610600000000, 0.0009154400000000 ] - [ 0.0008492000000000, 0.0014405500000000, -0.0006727100000000 ] - [ 0.0001202100000000, 0.0002272900000000, 0.0002813600000000 ] - [ 0.0004355000000000, -0.0007331200000000, -0.0008667300000000 ] - [ -0.0005382800000000, 0.0006480000000000, 0.0005261200000000 ] - [ -0.0007608800000000, -0.0002866800000000, -0.0001896600000000 ] - [ 0.0009447300000000, -0.0008408900000000, -0.0005873500000000 ] - [ 0.0004356300000000, 0.0006210700000000, 0.0000175300000000 ] - [ -0.0003180400000000, 0.0005399400000000, 0.0004685700000000 ] - [ -0.0002403500000000, -0.0004532900000000, -0.0006170600000000 ] - [ -0.0001650500000000, 0.0000422500000000, -0.0000045400000000 ] - [ -0.0005984900000000, 0.0000087700000000, 0.0006022400000000 ] - [ -0.0001867900000000, 0.0002061800000000, 0.0001924400000000 ] - [ -0.0000633900000000, -0.0002705900000000, 0.0005467700000000 ] - [ 0.0002580800000000, 0.0001635200000000, -0.0004417700000000 ] - [ 0.0007505100000000, -0.0011789600000000, 0.0002816500000000 ] - [ 0.0000218500000000, 0.0004853700000000, 0.0001846800000000 ] - [ -0.0002719600000000, 0.0003289800000000, 0.0004212800000000 ] - [ -0.0003058000000000, -0.0007814400000000, -0.0001316000000000 ] - [ -0.0000004600000000, 0.0006087900000000, -0.0000554600000000 ] - [ 0.0002521900000000, 0.0003491200000000, -0.0002473700000000 ] - [ 0.0004733100000000, 0.0000168100000000, 0.0006149300000000 ] - [ -0.0000258200000000, -0.0001680300000000, -0.0000093200000000 ] - [ 0.0000424200000000, 0.0004800600000000, 0.0001846900000000 ] - [ -0.0000131000000000, 0.0003900900000000, 0.0002344400000000 ] - [ -0.0001462000000000, -0.0003766700000000, 0.0003707300000000 ] - [ 0.0004049600000000, 0.0013975800000000, 0.0000583800000000 ] - [ -0.0020956400000000, -0.0065096300000000, 0.0021565500000000 ] - [ 0.0007925100000000, -0.0056403400000000, 0.0005690200000000 ] - [ -0.0004526300000000, 0.0015959500000000, 0.0004577800000000 ] - [ -0.0008085100000000, 0.0001923800000000, 0.0004085100000000 ] - [ -0.0005472300000000, 0.0005701900000000, -0.0004401000000000 ] - [ -0.0000303900000000, -0.0007927200000000, -0.0000150400000000 ] - [ 0.0003431200000000, 0.0006433100000000, 0.0002941400000000 ] - [ -0.0038024600000000, -0.0109477700000000, -0.0047950100000000 ] - [ 0.0008108000000000, 0.0028799700000000, -0.0010205300000000 ] - [ 0.0069867200000000, -0.0190799700000000, -0.0124147600000000 ] - [ -0.0006069400000000, 0.0033678700000000, -0.0004745000000000 ] - [ -0.0003193400000000, -0.0003757100000000, -0.0000220000000000 ] - [ -0.0007075100000000, -0.0018433400000000, -0.0000609000000000 ] - [ -0.0008715100000000, 0.0027549600000000, -0.0004614500000000 ] - [ -0.0014925500000000, -0.0005183000000000, 0.0032155100000000 ] - [ 0.0007418400000000, 0.0023084500000000, -0.0009096800000000 ] - [ 0.0023758300000000, -0.0004923400000000, 0.0006897800000000 ] - [ -0.0142183100000000, 0.0570792000000000, 0.0120760900000000 ] - [ -0.0005488500000000, -0.0024738300000000, -0.0006206800000000 ] - [ 0.0052387500000000, -0.0022888200000000, 0.0000643800000000 ] - [ 0.0019798300000000, -0.0026361300000000, 0.0008025100000000 ] - [ 0.0053736700000000, 0.0058318200000000, -0.0027624200000000 ] - [ 0.0005857100000000, -0.0014317200000000, 0.0005734800000000 ] - [ -0.0009668600000000, -0.0033584600000000, -0.0050928500000000 ] - [ 0.0002629800000000, -0.0031996100000000, 0.0024764800000000 ] - [ 0.0011446100000000, 0.0001460200000000, -0.0006003400000000 ] - [ 0.0003002500000000, 0.0001977200000000, 0.0004736400000000 ] - [ 0.0000361500000000, -0.0015732300000000, -0.0001515800000000 ] - [ 0.0013420200000000, 0.0022772800000000, 0.0014141400000000 ] - [ -0.0006847800000000, 0.0006417800000000, 0.0001652700000000 ] - [ -0.0002937300000000, 0.0002979500000000, -0.0001806700000000 ] - [ 0.0001794600000000, -0.0001142100000000, 0.0001861900000000 ] - [ 0.0003898700000000, 0.0004033400000000, -0.0002948900000000 ] - [ -0.0007727200000000, 0.0010830700000000, -0.0010552500000000 ] - [ -0.0004577600000000, -0.0014453000000000, -0.0000051000000000 ] - [ 0.0002683300000000, -0.0002086400000000, -0.0004981400000000 ] - [ 0.0007851800000000, -0.0006683600000000, -0.0004823700000000 ] - [ 0.0008138300000000, 0.0017084600000000, -0.0006794800000000 ] - [ 0.0004251000000000, -0.0010640100000000, -0.0004060100000000 ] - [ 0.0009372700000000, -0.0020432200000000, 0.0042243600000000 ] - [ 0.0005118900000000, -0.0016527400000000, -0.0036409900000000 ] - [ 0.0002153100000000, 0.0004779700000000, 0.0004371700000000 ] - [ -0.0005218700000000, -0.0005185900000000, -0.0003938400000000 ] - [ -0.0011367300000000, 0.0021007500000000, -0.0012954800000000 ] - [ 0.0004783400000000, -0.0010661900000000, 0.0001942200000000 ] - [ -0.0038110700000000, -0.0017532400000000, -0.0007097400000000 ] - [ -0.0040261800000000, -0.0024337200000000, 0.0012810400000000 ] - [ 0.0000660400000000, 0.0008915800000000, 0.0011155600000000 ] - [ 0.0000614300000000, -0.0012402400000000, -0.0000662700000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0018476100000000, -0.0003325000000000, 0.0010212600000000 ] - [ -0.0001191100000000, -0.0004027400000000, 0.0005156500000000 ] - [ -0.0003531300000000, -0.0015216400000000, 0.0008282300000000 ] - [ 0.0047312900000000, -0.0055760700000000, 0.0090276600000000 ] - [ -0.0010357300000000, -0.0001721200000000, 0.0050760700000000 ] - [ 0.0001711900000000, -0.0000697300000000, 0.0006954200000000 ] - [ -0.0000628000000000, -0.0003396700000000, 0.0005061300000000 ] - [ 0.0005894000000000, 0.0007753000000000, 0.0011800700000000 ] - [ 0.0006183400000000, -0.0008416700000000, 0.0000834600000000 ] - [ -0.0000379700000000, 0.0002588000000000, 0.0008347400000000 ] - [ -0.0003014300000000, 0.0011774800000000, -0.0019617300000000 ] - [ -0.0007024200000000, -0.0008369200000000, -0.0011216600000000 ] - [ 0.0004667200000000, -0.0012572300000000, -0.0015059500000000 ] - [ -0.0001904300000000, 0.0003142100000000, -0.0011302000000000 ] - [ 0.0002189500000000, -0.0001500700000000, -0.0003893600000000 ] - [ 0.0006466700000000, -0.0007893500000000, -0.0014287400000000 ] - [ -0.0001650300000000, -0.0001892900000000, -0.0000759500000000 ] - [ 0.0006394600000000, 0.0005462800000000, -0.0008550500000000 ] - [ -0.0001846200000000, -0.0003855000000000, -0.0008389100000000 ] - [ -0.0005685200000000, -0.0000366100000000, -0.0023921700000000 ] - [ -0.0000226400000000, 0.0003591900000000, -0.0000070100000000 ] - [ 0.0002572400000000, 0.0003000600000000, -0.0003759900000000 ] - [ -0.0005587500000000, 0.0002518100000000, -0.0024925100000000 ] - [ 0.0002681200000000, -0.0003604100000000, -0.0006465000000000 ] - [ 0.0003864100000000, 0.0003751500000000, -0.0009478200000000 ] - [ -0.0002336400000000, -0.0002865900000000, -0.0013192000000000 ] - [ 0.0003505900000000, 0.0005985400000000, -0.0007367100000000 ] - [ -0.0000533600000000, 0.0000469100000000, -0.0003846200000000 ] - [ 0.0002802100000000, -0.0001927600000000, 0.0000823000000000 ] - [ -0.0005492600000000, 0.0004737700000000, -0.0003241800000000 ] - [ -0.0002115700000000, -0.0007299500000000, 0.0001174400000000 ] - [ -0.0012199300000000, -0.0007909600000000, 0.0060697800000000 ] - [ -0.0018452200000000, 0.0016542000000000, 0.0052126200000000 ] - [ 0.0003885300000000, -0.0004908100000000, 0.0004677600000000 ] - [ 0.0007111700000000, -0.0004100100000000, 0.0005759900000000 ] - [ 0.0001023200000000, -0.0001085000000000, 0.0010176800000000 ] - [ 0.0008706300000000, 0.0002893200000000, 0.0007576400000000 ] - [ 0.0001122800000000, -0.0003506700000000, 0.0004353600000000 ] - [ 0.0017359400000000, 0.0039325200000000, 0.0070510700000000 ] - [ 0.0003501400000000, 0.0018886700000000, 0.0005174700000000 ] - [ -0.0202942600000000, 0.0113701800000000, 0.0404052600000000 ] - [ -0.0009954700000000, -0.0009311800000000, 0.0016455100000000 ] - [ 0.0003643400000000, -0.0006622000000000, -0.0010704600000000 ] - [ -0.0005902800000000, -0.0014097000000000, -0.0020675200000000 ] - [ -0.0020623800000000, 0.0024947600000000, -0.0020177700000000 ] - [ 0.0012326900000000, -0.0012783500000000, -0.0069593200000000 ] - [ 0.0013391500000000, 0.0012834000000000, 0.0003425200000000 ] - [ -0.0035152700000000, -0.0003450500000000, 0.0023060700000000 ] - [ 0.0196738600000000, -0.0123393500000000, -0.0779950200000000 ] - [ -0.0000622100000000, 0.0006288600000000, -0.0017553700000000 ] - [ -0.0062434800000000, 0.0072948500000000, -0.0119629300000000 ] - [ 0.0003328800000000, 0.0009672300000000, -0.0019706700000000 ] - [ -0.0091870600000000, -0.0083118300000000, 0.0064733100000000 ] - [ 0.0002228500000000, 0.0003636400000000, 0.0000632000000000 ] - [ 0.0066986200000000, 0.0088575000000000, 0.0058341800000000 ] - [ 0.0006580500000000, -0.0025141600000000, 0.0003573100000000 ] - [ -0.0004525500000000, 0.0006406100000000, 0.0001535600000000 ] - [ -0.0006355200000000, -0.0008199200000000, 0.0000217700000000 ] - [ -0.0007866000000000, 0.0009334000000000, 0.0003921600000000 ] - [ 0.0042610800000000, -0.0007639900000000, 0.0022615900000000 ] - [ -0.0003574500000000, 0.0006607100000000, 0.0019741400000000 ] - [ 0.0004332700000000, -0.0000335900000000, 0.0016382900000000 ] - [ -0.0003785900000000, 0.0001935100000000, 0.0010222300000000 ] - [ 0.0000579600000000, -0.0002884900000000, 0.0023917400000000 ] - [ 0.0011945000000000, -0.0010626200000000, 0.0034808000000000 ] - [ -0.0006266100000000, -0.0000078400000000, 0.0021191800000000 ] - [ 0.0005904200000000, 0.0003808700000000, 0.0019907700000000 ] - [ -0.0009268700000000, 0.0007453000000000, 0.0015880300000000 ] - [ -0.0031010600000000, 0.0011837300000000, 0.0027110100000000 ] - [ 0.0007991000000000, 0.0002922800000000, -0.0007801600000000 ] - [ 0.0019647900000000, -0.0067726800000000, 0.0051238600000000 ] - [ -0.0008327100000000, 0.0025808800000000, 0.0023804900000000 ] - [ -0.0000985400000000, -0.0002800700000000, -0.0000020600000000 ] - [ -0.0001342200000000, 0.0007262800000000, 0.0003412000000000 ] - [ 0.0064012700000000, 0.0016035800000000, 0.0029601900000000 ] - [ -0.0005947000000000, 0.0002564100000000, -0.0000995000000000 ] - [ 0.0010003500000000, 0.0008289300000000, -0.0017380400000000 ] - [ -0.0019078700000000, -0.0020249800000000, -0.0016931400000000 ] - [ 0.0001334100000000, -0.0011213100000000, -0.0021988200000000 ] - [ -0.0009025200000000, 0.0000599600000000, -0.0008071300000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0016053000000000, -0.0004259500000000, -0.0005590000000000 ] - [ -0.0001100300000000, -0.0003556600000000, -0.0000566500000000 ] - [ 0.0000588500000000, 0.0015813000000000, -0.0011971300000000 ] - [ -0.0042691500000000, 0.0054200800000000, -0.0093103900000000 ] - [ 0.0009438400000000, 0.0000168100000000, -0.0050823300000000 ] - [ 0.0000050200000000, -0.0001649800000000, -0.0007794400000000 ] - [ 0.0000054200000000, -0.0000256000000000, -0.0004888400000000 ] - [ -0.0005315500000000, -0.0011363300000000, -0.0011608100000000 ] - [ -0.0007836200000000, 0.0007594500000000, 0.0004122200000000 ] - [ 0.0002120700000000, -0.0003379300000000, -0.0003364400000000 ] - [ 0.0004715700000000, -0.0012439400000000, 0.0014600000000000 ] - [ 0.0005275000000000, 0.0007591100000000, 0.0006263300000000 ] - [ -0.0005261200000000, 0.0008843400000000, 0.0014891900000000 ] - [ 0.0002491400000000, -0.0006799700000000, 0.0011187400000000 ] - [ -0.0000405600000000, -0.0000785000000000, 0.0004787800000000 ] - [ -0.0008194900000000, 0.0005572500000000, 0.0015111100000000 ] - [ -0.0001245700000000, 0.0002502100000000, 0.0004514200000000 ] - [ -0.0003481000000000, -0.0004819900000000, 0.0012295700000000 ] - [ -0.0000472800000000, -0.0003743900000000, 0.0003827700000000 ] - [ 0.0007923200000000, -0.0007228000000000, 0.0019280000000000 ] - [ 0.0002556700000000, 0.0004008800000000, 0.0004631400000000 ] - [ -0.0004881700000000, 0.0004603200000000, 0.0008309400000000 ] - [ 0.0002743200000000, -0.0003174200000000, 0.0021246500000000 ] - [ 0.0000205600000000, 0.0002989200000000, 0.0002695100000000 ] - [ -0.0005654000000000, -0.0001462000000000, 0.0008568700000000 ] - [ 0.0004138500000000, 0.0005192300000000, 0.0012296300000000 ] - [ -0.0004119200000000, -0.0002299400000000, 0.0007473400000000 ] - [ 0.0001144200000000, 0.0003206500000000, 0.0003951200000000 ] - [ -0.0001084200000000, 0.0002703600000000, 0.0004116700000000 ] - [ 0.0003791900000000, -0.0003968300000000, 0.0008180600000000 ] - [ 0.0003799300000000, 0.0008059100000000, -0.0006148200000000 ] - [ 0.0013453200000000, 0.0010623900000000, -0.0068513300000000 ] - [ 0.0016015500000000, -0.0011412600000000, -0.0053928100000000 ] - [ -0.0003288800000000, 0.0008561500000000, -0.0004838700000000 ] - [ -0.0005314600000000, 0.0006398400000000, -0.0004901500000000 ] - [ -0.0002790700000000, 0.0003382000000000, -0.0009297800000000 ] - [ -0.0011552900000000, -0.0003515900000000, -0.0003855300000000 ] - [ 0.0001780600000000, 0.0002867000000000, -0.0000614000000000 ] - [ -0.0021146800000000, -0.0034484500000000, -0.0076479600000000 ] - [ -0.0001212700000000, -0.0011207300000000, -0.0009813100000000 ] - [ 0.0194033700000000, -0.0124695600000000, -0.0391926800000000 ] - [ 0.0007652500000000, -0.0007650700000000, -0.0014524300000000 ] - [ -0.0005877100000000, -0.0010208400000000, 0.0008859000000000 ] - [ 0.0008266900000000, -0.0002751200000000, 0.0018864900000000 ] - [ 0.0022922700000000, -0.0008140500000000, 0.0021990000000000 ] - [ -0.0014806200000000, 0.0029828800000000, 0.0071662700000000 ] - [ -0.0011008200000000, 0.0004070100000000, -0.0005357700000000 ] - [ 0.0032734200000000, 0.0020360800000000, -0.0025025900000000 ] - [ -0.0187775700000000, 0.0121231500000000, 0.0770554000000000 ] - [ 0.0000938300000000, -0.0002499400000000, 0.0014015200000000 ] - [ 0.0059015300000000, -0.0066766400000000, 0.0114891700000000 ] - [ -0.0000208000000000, -0.0003790400000000, 0.0015835200000000 ] - [ 0.0092672900000000, 0.0079466400000000, -0.0063998800000000 ] - [ -0.0003428500000000, -0.0006833700000000, -0.0000262000000000 ] - [ -0.0061277200000000, -0.0088277500000000, -0.0059591700000000 ] - [ -0.0011829500000000, 0.0024951600000000, -0.0005086100000000 ] - [ 0.0009757500000000, -0.0006565400000000, -0.0000144500000000 ] - [ 0.0001022500000000, 0.0008010800000000, 0.0001140700000000 ] - [ 0.0006659900000000, -0.0012505500000000, -0.0004334100000000 ] - [ -0.0041325300000000, 0.0004382000000000, -0.0023156800000000 ] - [ 0.0000406300000000, -0.0000848500000000, -0.0015896000000000 ] - [ -0.0001136200000000, 0.0006068100000000, -0.0012526400000000 ] - [ 0.0004080800000000, 0.0001840700000000, -0.0006691100000000 ] - [ -0.0000907300000000, 0.0006648100000000, -0.0020355800000000 ] - [ -0.0011597800000000, 0.0006812800000000, -0.0038301600000000 ] - [ 0.0005980400000000, -0.0003650700000000, -0.0024697700000000 ] - [ -0.0009089700000000, -0.0009531600000000, -0.0023692400000000 ] - [ 0.0012494600000000, -0.0013257800000000, -0.0019744200000000 ] - [ 0.0029927700000000, -0.0008572300000000, -0.0026588500000000 ] - [ -0.0006810700000000, 0.0000338700000000, 0.0008206600000000 ] - [ -0.0014328800000000, 0.0068126300000000, -0.0052591200000000 ] - [ 0.0002998300000000, -0.0025729300000000, -0.0025116300000000 ] - [ 0.0006207500000000, 0.0003021300000000, 0.0001441900000000 ] - [ -0.0003939700000000, -0.0007084200000000, -0.0001980200000000 ] - [ -0.0065405400000000, -0.0012882000000000, -0.0029926600000000 ] - [ 0.0007185600000000, 0.0000641500000000, 0.0000646500000000 ] - [ -0.0006600200000000, -0.0013966400000000, 0.0021296200000000 ] - [ 0.0015621300000000, 0.0014263100000000, 0.0020855500000000 ] - [ -0.0001062100000000, 0.0007429300000000, 0.0025471900000000 ] - [ 0.0008652000000000, -0.0004360600000000, 0.0011534000000000 ]- atom: 51 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0045114200000000, -0.0017064500000000, 0.0013767200000000 ] - [ -0.0006382700000000, 0.0000961100000000, 0.0007486700000000 ] - [ 0.0066783200000000, 0.0015775800000000, 0.0011178800000000 ] - [ -0.0011028100000000, 0.0010710200000000, -0.0004213800000000 ] - [ -0.0026350800000000, -0.0002953800000000, 0.0000410100000000 ] - [ 0.0006812700000000, 0.0000827100000000, -0.0000430400000000 ] - [ -0.0019124500000000, 0.0001117900000000, 0.0004891000000000 ] - [ 0.0007910300000000, -0.0003324400000000, 0.0008216600000000 ] - [ 0.0042390500000000, 0.0008662000000000, 0.0012264700000000 ] - [ -0.0004840200000000, -0.0001664500000000, 0.0006375800000000 ] - [ 0.0002653400000000, 0.0012027300000000, -0.0013399500000000 ] - [ -0.0010339100000000, -0.0006514100000000, -0.0008495300000000 ] - [ 0.0012066500000000, -0.0009927700000000, -0.0007977400000000 ] - [ -0.0003381200000000, -0.0000344800000000, -0.0002198100000000 ] - [ -0.0001489100000000, -0.0000162700000000, -0.0000080400000000 ] - [ 0.0008640300000000, -0.0010577600000000, 0.0007984500000000 ] - [ -0.0006461500000000, 0.0003833600000000, 0.0004095600000000 ] - [ 0.0005345800000000, 0.0002856800000000, -0.0001811500000000 ] - [ 0.0001827000000000, -0.0003702700000000, -0.0003046900000000 ] - [ -0.0010479200000000, -0.0000277000000000, -0.0013755000000000 ] - [ 0.0004688800000000, 0.0006410800000000, -0.0002311800000000 ] - [ -0.0003414000000000, 0.0003744100000000, 0.0001191600000000 ] - [ 0.0002739500000000, 0.0000866400000000, -0.0003484900000000 ] - [ -0.0000613500000000, 0.0000535200000000, -0.0002964500000000 ] - [ -0.0006449200000000, -0.0000610700000000, -0.0002047400000000 ] - [ 0.0004059500000000, 0.0001910400000000, -0.0002321900000000 ] - [ -0.0004951600000000, -0.0001712600000000, -0.0002235600000000 ] - [ 0.0001869500000000, 0.0002333400000000, -0.0001817000000000 ] - [ -0.0001324800000000, 0.0002000300000000, 0.0000424700000000 ] - [ 0.0002734600000000, -0.0003324000000000, -0.0006115200000000 ] - [ 0.0005970200000000, 0.0000366100000000, -0.0000511000000000 ] - [ -0.0014818500000000, -0.0003187600000000, 0.0005955500000000 ] - [ 0.0062564000000000, -0.0007535900000000, -0.0007812100000000 ] - [ -0.0003948400000000, 0.0003688500000000, 0.0002182000000000 ] - [ -0.0006334800000000, 0.0001288100000000, -0.0001171600000000 ] - [ 0.0063777700000000, -0.0012713900000000, 0.0021772000000000 ] - [ -0.0021424100000000, -0.0007559300000000, -0.0004767300000000 ] - [ 0.0005499400000000, 0.0007839100000000, -0.0002064900000000 ] - [ 0.0007306900000000, 0.0012735700000000, 0.0006456400000000 ] - [ -0.0014322300000000, -0.0004120200000000, 0.0006668200000000 ] - [ 0.0354221400000000, -0.0237073800000000, 0.0187345400000000 ] - [ -0.0020455200000000, -0.0010927200000000, -0.0000924300000000 ] - [ 0.0003976200000000, 0.0002496300000000, 0.0004734200000000 ] - [ -0.0027663900000000, -0.0028990600000000, 0.0008599200000000 ] - [ 0.0022447500000000, -0.0002412800000000, -0.0000089500000000 ] - [ -0.0011269000000000, 0.0011977100000000, 0.0002450900000000 ] - [ -0.0045479500000000, 0.0013999900000000, -0.0016803800000000 ] - [ 0.0017409900000000, -0.0018814100000000, -0.0019932200000000 ] - [ 0.0064491000000000, -0.0052384400000000, -0.0062626900000000 ] - [ 0.0008687100000000, 0.0019933000000000, -0.0003622300000000 ] - [ -0.0669075100000000, 0.0290955400000000, -0.0236151000000000 ] - [ 0.0016706000000000, 0.0001685500000000, -0.0006622100000000 ] - [ -0.0119583700000000, -0.0021617300000000, 0.0027336600000000 ] - [ 0.0015837200000000, -0.0005580400000000, 0.0000330000000000 ] - [ 0.0065837100000000, 0.0052082800000000, 0.0064438900000000 ] - [ 0.0000417900000000, -0.0011743400000000, 0.0002565400000000 ] - [ 0.0050105800000000, 0.0014825700000000, -0.0053951300000000 ] - [ -0.0003829900000000, -0.0004650500000000, -0.0003950500000000 ] - [ -0.0024829000000000, -0.0007403300000000, -0.0007061100000000 ] - [ 0.0028412300000000, -0.0000383200000000, 0.0010785100000000 ] - [ 0.0015038500000000, 0.0000499400000000, 0.0002951800000000 ] - [ -0.0003956900000000, -0.0003168400000000, 0.0003112700000000 ] - [ -0.0000770900000000, -0.0002714900000000, 0.0004573500000000 ] - [ -0.0005058300000000, 0.0007048900000000, 0.0003855900000000 ] - [ 0.0003697800000000, -0.0008059400000000, 0.0009047200000000 ] - [ -0.0001758100000000, 0.0002497800000000, 0.0005650300000000 ] - [ -0.0013184300000000, -0.0001882000000000, 0.0002167800000000 ] - [ 0.0007482200000000, -0.0006162500000000, -0.0002131500000000 ] - [ 0.0013900600000000, 0.0005213600000000, 0.0000402700000000 ] - [ -0.0018932200000000, -0.0002985300000000, 0.0014635200000000 ] - [ 0.0003873100000000, 0.0010583200000000, -0.0023685700000000 ] - [ -0.0004164700000000, -0.0003504200000000, -0.0004866300000000 ] - [ 0.0026254800000000, -0.0007621400000000, 0.0026009800000000 ] - [ 0.0000122400000000, 0.0000355100000000, 0.0006603600000000 ] - [ -0.0022043300000000, 0.0003017600000000, 0.0005976600000000 ] - [ 0.0016368100000000, -0.0005434100000000, 0.0006483300000000 ] - [ -0.0014551400000000, -0.0002871800000000, -0.0006083200000000 ] - [ 0.0028692300000000, 0.0008729100000000, -0.0007155100000000 ] - [ 0.0013919100000000, 0.0037717500000000, 0.0010124100000000 ] - [ 0.0045430400000000, -0.0040444900000000, 0.0019188700000000 ]- atom: 51 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0046202300000000, 0.0007122200000000, -0.0007590900000000 ] - [ 0.0004080500000000, -0.0008566400000000, -0.0002916100000000 ] - [ -0.0068066300000000, -0.0013037600000000, -0.0014075600000000 ] - [ 0.0013900000000000, -0.0010074500000000, 0.0000486900000000 ] - [ 0.0024510100000000, 0.0000662000000000, -0.0001341300000000 ] - [ -0.0004990500000000, -0.0003090600000000, -0.0000484600000000 ] - [ 0.0018638300000000, -0.0004839200000000, -0.0004803300000000 ] - [ -0.0007379800000000, -0.0000322700000000, -0.0008094700000000 ] - [ -0.0045508700000000, -0.0007897300000000, -0.0006114200000000 ] - [ 0.0006560500000000, 0.0000877500000000, -0.0001438400000000 ] - [ -0.0000869200000000, -0.0012741000000000, 0.0008402200000000 ] - [ 0.0008596300000000, 0.0005725900000000, 0.0003550900000000 ] - [ -0.0012571200000000, 0.0006243800000000, 0.0007951100000000 ] - [ 0.0003956400000000, -0.0003325700000000, 0.0002063800000000 ] - [ 0.0003265800000000, -0.0002132100000000, 0.0000983600000000 ] - [ -0.0010486900000000, 0.0008255200000000, -0.0007056800000000 ] - [ 0.0003571200000000, -0.0003225500000000, -0.0000361900000000 ] - [ -0.0002484100000000, -0.0002223100000000, 0.0005550300000000 ] - [ -0.0004097000000000, -0.0003886600000000, -0.0001524300000000 ] - [ 0.0012765400000000, -0.0007346600000000, 0.0009155400000000 ] - [ -0.0002403600000000, 0.0001183000000000, 0.0006887000000000 ] - [ 0.0001102500000000, 0.0003866600000000, 0.0003390100000000 ] - [ -0.0005600500000000, -0.0001498800000000, -0.0000277500000000 ] - [ 0.0003505500000000, -0.0001152900000000, -0.0000770000000000 ] - [ 0.0004672600000000, 0.0002905300000000, 0.0001138500000000 ] - [ -0.0002240300000000, 0.0000383200000000, 0.0001412700000000 ] - [ 0.0004365900000000, 0.0005397500000000, 0.0002355900000000 ] - [ -0.0001314300000000, 0.0001354000000000, 0.0001936300000000 ] - [ 0.0003067100000000, -0.0001226900000000, 0.0004524300000000 ] - [ -0.0004513700000000, 0.0004093600000000, 0.0011051700000000 ] - [ -0.0004229400000000, 0.0000455300000000, -0.0004424000000000 ] - [ 0.0013087800000000, 0.0004001700000000, -0.0010861800000000 ] - [ -0.0062417300000000, 0.0010552900000000, 0.0006453500000000 ] - [ 0.0004516800000000, -0.0000023900000000, -0.0002311200000000 ] - [ 0.0008116800000000, 0.0001019200000000, 0.0002085300000000 ] - [ -0.0066462200000000, 0.0016327600000000, -0.0022813800000000 ] - [ 0.0018637700000000, 0.0006993400000000, 0.0008572200000000 ] - [ -0.0002647300000000, -0.0008456200000000, 0.0005805800000000 ] - [ -0.0009559200000000, -0.0005167900000000, -0.0011026800000000 ] - [ 0.0016576600000000, 0.0011665000000000, -0.0011198800000000 ] - [ -0.0347645500000000, 0.0212913300000000, -0.0179173400000000 ] - [ 0.0018216200000000, -0.0005918700000000, 0.0002795700000000 ] - [ -0.0006395700000000, -0.0019331800000000, -0.0006545600000000 ] - [ 0.0029935500000000, 0.0012151300000000, -0.0010553700000000 ] - [ -0.0020116600000000, 0.0019235700000000, 0.0001870800000000 ] - [ 0.0009010500000000, 0.0004880400000000, -0.0000578200000000 ] - [ 0.0047814700000000, 0.0002783700000000, 0.0015103100000000 ] - [ -0.0019879600000000, 0.0035658900000000, 0.0018054100000000 ] - [ -0.0064610400000000, 0.0055737700000000, 0.0058832800000000 ] - [ -0.0008584800000000, -0.0016238600000000, -0.0000072100000000 ] - [ 0.0665243300000000, -0.0279370900000000, 0.0225110800000000 ] - [ -0.0013409400000000, 0.0004190100000000, 0.0002692100000000 ] - [ 0.0120191300000000, 0.0018378800000000, -0.0026843500000000 ] - [ -0.0016859300000000, 0.0002249900000000, 0.0000214200000000 ] - [ -0.0060416000000000, -0.0052054400000000, -0.0065426800000000 ] - [ -0.0005835300000000, 0.0011660300000000, -0.0003827000000000 ] - [ -0.0044747500000000, -0.0014817800000000, 0.0055478500000000 ] - [ -0.0001525400000000, 0.0004582000000000, 0.0005265300000000 ] - [ 0.0023861000000000, 0.0003779300000000, 0.0006318900000000 ] - [ -0.0027391200000000, -0.0002978300000000, -0.0011301900000000 ] - [ -0.0018358000000000, 0.0005411800000000, 0.0001011500000000 ] - [ 0.0007268000000000, 0.0009057600000000, 0.0000824700000000 ] - [ 0.0001000100000000, 0.0006435100000000, -0.0000910900000000 ] - [ 0.0004913600000000, -0.0003394600000000, -0.0000137100000000 ] - [ -0.0003538600000000, 0.0004349500000000, -0.0012700900000000 ] - [ 0.0001543300000000, -0.0006173800000000, -0.0009334800000000 ] - [ 0.0009889400000000, -0.0004005200000000, -0.0006100500000000 ] - [ -0.0004181700000000, 0.0000258100000000, -0.0001800900000000 ] - [ -0.0014927800000000, -0.0001883800000000, 0.0000106300000000 ] - [ 0.0019954300000000, 0.0006278500000000, -0.0014015800000000 ] - [ 0.0001447700000000, -0.0010572600000000, 0.0022382100000000 ] - [ -0.0001257600000000, 0.0003510600000000, 0.0003572600000000 ] - [ -0.0020828500000000, 0.0007685400000000, -0.0024858300000000 ] - [ -0.0005494800000000, -0.0000330600000000, -0.0005330900000000 ] - [ 0.0021074900000000, 0.0000459000000000, -0.0006425900000000 ] - [ -0.0015371500000000, 0.0008792400000000, -0.0007034000000000 ] - [ 0.0017878300000000, -0.0003053800000000, 0.0010041600000000 ] - [ -0.0032008800000000, -0.0014589200000000, 0.0011047900000000 ] - [ -0.0013704400000000, -0.0041570100000000, -0.0006489200000000 ] - [ -0.0045603600000000, 0.0036995100000000, -0.0015533000000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0014179800000000, 0.0059961000000000, -0.0010095500000000 ] - [ 0.0001879900000000, -0.0011034700000000, -0.0000599000000000 ] - [ -0.0013993200000000, 0.0051239900000000, -0.0010233200000000 ] - [ 0.0011064900000000, -0.0013404000000000, 0.0000061600000000 ] - [ 0.0013718600000000, 0.0008126000000000, -0.0002511700000000 ] - [ -0.0001604200000000, -0.0021161000000000, -0.0001199900000000 ] - [ 0.0009099500000000, 0.0002679000000000, -0.0004474400000000 ] - [ -0.0006577800000000, -0.0020743300000000, -0.0000611900000000 ] - [ 0.0008006900000000, 0.0042777900000000, -0.0006832800000000 ] - [ -0.0000775500000000, -0.0005351200000000, 0.0004096800000000 ] - [ 0.0003961100000000, -0.0017844400000000, 0.0008310100000000 ] - [ 0.0002093600000000, 0.0005373600000000, 0.0000965900000000 ] - [ -0.0012145600000000, 0.0008561600000000, -0.0009781000000000 ] - [ 0.0002495700000000, -0.0005701200000000, 0.0001042800000000 ] - [ 0.0002548000000000, -0.0003820100000000, 0.0000149500000000 ] - [ -0.0006291300000000, 0.0014010400000000, 0.0005685800000000 ] - [ 0.0001078500000000, 0.0002201900000000, 0.0001295800000000 ] - [ -0.0004621000000000, -0.0008275900000000, 0.0008339000000000 ] - [ -0.0006275500000000, -0.0008957800000000, -0.0005286400000000 ] - [ 0.0010123000000000, -0.0002808600000000, 0.0008749800000000 ] - [ 0.0003455500000000, 0.0006493800000000, 0.0006903800000000 ] - [ -0.0001098200000000, 0.0002501400000000, 0.0001725200000000 ] - [ -0.0000079900000000, 0.0005804900000000, -0.0000163700000000 ] - [ 0.0001397400000000, -0.0003475400000000, -0.0001158200000000 ] - [ -0.0001360900000000, 0.0002950500000000, 0.0002251000000000 ] - [ 0.0000675200000000, -0.0004422900000000, -0.0000650300000000 ] - [ 0.0000534600000000, 0.0005401800000000, 0.0001691100000000 ] - [ 0.0001954500000000, -0.0004283500000000, 0.0000401300000000 ] - [ 0.0001771800000000, -0.0003398700000000, 0.0002965000000000 ] - [ -0.0003007500000000, 0.0007211800000000, 0.0003375300000000 ] - [ -0.0002248900000000, -0.0014216200000000, 0.0002273900000000 ] - [ 0.0004842800000000, 0.0009947100000000, -0.0009820200000000 ] - [ -0.0013655400000000, 0.0063089500000000, 0.0009516800000000 ] - [ -0.0000768800000000, -0.0003747100000000, 0.0002109500000000 ] - [ 0.0000206100000000, -0.0003624300000000, -0.0000841100000000 ] - [ -0.0014835300000000, 0.0063947800000000, -0.0020461300000000 ] - [ -0.0001867800000000, 0.0007273600000000, -0.0001144800000000 ] - [ 0.0006106600000000, -0.0019532900000000, 0.0007472700000000 ] - [ -0.0000487300000000, -0.0010997800000000, -0.0010054400000000 ] - [ -0.0010500500000000, 0.0006708900000000, 0.0001831600000000 ] - [ -0.0197736700000000, 0.0393112000000000, -0.0216006900000000 ] - [ -0.0012165100000000, -0.0021198300000000, -0.0014391100000000 ] - [ 0.0019786300000000, -0.0039679700000000, -0.0020252100000000 ] - [ 0.0005014000000000, 0.0004185900000000, 0.0002344000000000 ] - [ -0.0015825600000000, 0.0017825600000000, 0.0028602600000000 ] - [ 0.0003788200000000, 0.0001961200000000, -0.0001191500000000 ] - [ 0.0027732800000000, 0.0018315000000000, 0.0015613200000000 ] - [ -0.0014451100000000, -0.0025094200000000, -0.0022664000000000 ] - [ -0.0074068800000000, 0.0027588900000000, 0.0068002700000000 ] - [ 0.0035372200000000, 0.0031158100000000, 0.0004976900000000 ] - [ 0.0280272300000000, -0.0668853800000000, 0.0248527500000000 ] - [ 0.0002807600000000, 0.0017132100000000, -0.0003734500000000 ] - [ 0.0066650500000000, 0.0048216800000000, -0.0066657800000000 ] - [ -0.0004388600000000, -0.0005249100000000, 0.0004317200000000 ] - [ -0.0039578600000000, -0.0126256400000000, -0.0026480400000000 ] - [ -0.0008545200000000, 0.0023380000000000, 0.0000807600000000 ] - [ -0.0012947500000000, -0.0028111200000000, 0.0014518200000000 ] - [ -0.0006410500000000, 0.0021117500000000, -0.0005223100000000 ] - [ -0.0002749100000000, 0.0051872000000000, 0.0059115400000000 ] - [ -0.0013692400000000, -0.0001092600000000, -0.0009383600000000 ] - [ -0.0003983900000000, -0.0002169700000000, -0.0003305100000000 ] - [ 0.0007663800000000, 0.0023782900000000, 0.0005088400000000 ] - [ -0.0006425100000000, 0.0001834000000000, 0.0004959100000000 ] - [ 0.0006351500000000, -0.0001608900000000, -0.0001993600000000 ] - [ -0.0007142800000000, 0.0001893500000000, -0.0012074800000000 ] - [ 0.0007348900000000, -0.0002750300000000, -0.0008397400000000 ] - [ -0.0002610800000000, -0.0017687100000000, -0.0009772000000000 ] - [ -0.0001664600000000, 0.0003558900000000, -0.0000142200000000 ] - [ -0.0004038600000000, -0.0001483300000000, 0.0004972100000000 ] - [ 0.0006510200000000, 0.0018558300000000, -0.0037189000000000 ] - [ 0.0012094500000000, -0.0018650400000000, -0.0006534500000000 ] - [ -0.0000893200000000, 0.0012656500000000, -0.0000780300000000 ] - [ -0.0002726700000000, -0.0015261300000000, -0.0008161200000000 ] - [ 0.0002272900000000, 0.0015644600000000, 0.0005464200000000 ] - [ 0.0004564100000000, 0.0007924300000000, 0.0017027000000000 ] - [ -0.0003497000000000, 0.0007523000000000, -0.0006107300000000 ] - [ 0.0001630300000000, 0.0023864500000000, 0.0003322100000000 ] - [ -0.0013186100000000, -0.0019633600000000, 0.0010126700000000 ] - [ 0.0017511500000000, 0.0012741800000000, 0.0012886900000000 ] - [ -0.0057643200000000, 0.0019471000000000, -0.0015523900000000 ]- atom: 51 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0013427300000000, -0.0068507500000000, 0.0015370900000000 ] - [ -0.0004181400000000, 0.0003438300000000, 0.0005191100000000 ] - [ 0.0013724400000000, -0.0047723400000000, 0.0007727200000000 ] - [ -0.0008212300000000, 0.0014040900000000, -0.0003787000000000 ] - [ -0.0015578500000000, -0.0010491900000000, 0.0001632700000000 ] - [ 0.0003394200000000, 0.0018775100000000, 0.0000268500000000 ] - [ -0.0009724800000000, -0.0006321600000000, 0.0004592800000000 ] - [ 0.0007203100000000, 0.0017125000000000, 0.0000700600000000 ] - [ -0.0011497200000000, -0.0041561300000000, 0.0013343600000000 ] - [ 0.0002492800000000, 0.0004548400000000, 0.0000853500000000 ] - [ -0.0002215100000000, 0.0017128600000000, -0.0013294400000000 ] - [ -0.0003846700000000, -0.0006118500000000, -0.0005936400000000 ] - [ 0.0011586900000000, -0.0012219400000000, 0.0009691500000000 ] - [ -0.0001912200000000, 0.0002004600000000, -0.0001166700000000 ] - [ -0.0000739900000000, 0.0001507000000000, 0.0000742300000000 ] - [ 0.0004496800000000, -0.0016385700000000, -0.0004690100000000 ] - [ -0.0003971100000000, -0.0001561000000000, 0.0002452800000000 ] - [ 0.0007518500000000, 0.0008875500000000, -0.0004596300000000 ] - [ 0.0003966800000000, 0.0001349000000000, 0.0000688600000000 ] - [ -0.0007879500000000, -0.0004842400000000, -0.0013396000000000 ] - [ -0.0001132600000000, 0.0001123800000000, -0.0002317000000000 ] - [ -0.0001210600000000, 0.0005086000000000, 0.0002866600000000 ] - [ -0.0002795300000000, -0.0006453800000000, -0.0003610800000000 ] - [ 0.0001479900000000, 0.0002866600000000, -0.0002581300000000 ] - [ -0.0000448800000000, -0.0000629800000000, -0.0003150100000000 ] - [ 0.0001148200000000, 0.0006723000000000, -0.0000255200000000 ] - [ -0.0001140100000000, -0.0001724100000000, -0.0001573500000000 ] - [ -0.0001362900000000, 0.0007975500000000, -0.0000292200000000 ] - [ -0.0000027500000000, 0.0004161900000000, 0.0002001000000000 ] - [ 0.0001273200000000, -0.0006482900000000, 0.0001561000000000 ] - [ 0.0003931500000000, 0.0014945400000000, -0.0007159400000000 ] - [ -0.0006538300000000, -0.0009191900000000, 0.0004877100000000 ] - [ 0.0013637900000000, -0.0059765000000000, -0.0010466100000000 ] - [ 0.0001343600000000, 0.0007416600000000, -0.0002226100000000 ] - [ 0.0001600100000000, 0.0005932100000000, 0.0001743800000000 ] - [ 0.0011694100000000, -0.0060757800000000, 0.0019402600000000 ] - [ -0.0001047100000000, -0.0007935200000000, 0.0004876300000000 ] - [ -0.0003150500000000, 0.0018843800000000, -0.0003677700000000 ] - [ -0.0001844900000000, 0.0018612800000000, 0.0005509100000000 ] - [ 0.0012804800000000, 0.0000934200000000, -0.0006409400000000 ] - [ 0.0208109500000000, -0.0416165900000000, 0.0225645900000000 ] - [ 0.0009733500000000, 0.0004303400000000, 0.0016154600000000 ] - [ -0.0022126300000000, 0.0022751700000000, 0.0018368900000000 ] - [ -0.0002785400000000, -0.0021177100000000, -0.0004158000000000 ] - [ 0.0018154100000000, -0.0000866700000000, -0.0026836300000000 ] - [ -0.0006189300000000, 0.0014836600000000, 0.0002995400000000 ] - [ -0.0025419700000000, -0.0001350400000000, -0.0017369500000000 ] - [ 0.0012150500000000, 0.0042078300000000, 0.0020962200000000 ] - [ 0.0073984200000000, -0.0023719200000000, -0.0071733900000000 ] - [ -0.0034930300000000, -0.0027359600000000, -0.0008510000000000 ] - [ -0.0290103700000000, 0.0676056400000000, -0.0261152400000000 ] - [ 0.0000352800000000, -0.0011390500000000, -0.0000099600000000 ] - [ -0.0065644600000000, -0.0051474800000000, 0.0067360300000000 ] - [ 0.0003239700000000, 0.0001957500000000, -0.0003852700000000 ] - [ 0.0044917200000000, 0.0126683000000000, 0.0025044300000000 ] - [ 0.0003291800000000, -0.0023573500000000, -0.0002188600000000 ] - [ 0.0018491600000000, 0.0027937100000000, -0.0013340900000000 ] - [ 0.0001110900000000, -0.0021294300000000, 0.0006610400000000 ] - [ 0.0001519400000000, -0.0055062500000000, -0.0059291100000000 ] - [ 0.0014970000000000, -0.0002121800000000, 0.0008989700000000 ] - [ 0.0000859600000000, 0.0007898200000000, 0.0007125200000000 ] - [ -0.0004505100000000, -0.0018043400000000, -0.0001235300000000 ] - [ 0.0006714700000000, 0.0001886700000000, -0.0001429800000000 ] - [ -0.0006675900000000, 0.0005386700000000, 0.0005499600000000 ] - [ 0.0007479500000000, -0.0005653400000000, 0.0008614100000000 ] - [ -0.0007644500000000, -0.0001028800000000, 0.0004911100000000 ] - [ -0.0000540100000000, 0.0011932000000000, 0.0005959200000000 ] - [ 0.0004806100000000, -0.0009301900000000, -0.0003684900000000 ] - [ 0.0002848900000000, 0.0004757300000000, -0.0004531500000000 ] - [ -0.0005336000000000, -0.0015365400000000, 0.0037505400000000 ] - [ -0.0006858400000000, 0.0018745100000000, 0.0005276200000000 ] - [ -0.0004369600000000, -0.0012473700000000, -0.0000625500000000 ] - [ 0.0008101300000000, 0.0015391100000000, 0.0009609400000000 ] - [ -0.0007573600000000, -0.0015497200000000, -0.0004096000000000 ] - [ -0.0005730400000000, -0.0004591700000000, -0.0017509500000000 ] - [ 0.0004712700000000, -0.0004315300000000, 0.0005676700000000 ] - [ 0.0001506000000000, -0.0029618800000000, 0.0000469400000000 ] - [ 0.0010069400000000, 0.0013892200000000, -0.0006309500000000 ] - [ -0.0017291400000000, -0.0016451200000000, -0.0009344200000000 ] - [ 0.0057189100000000, -0.0023336900000000, 0.0019013600000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0008009700000000, -0.0014305100000000, 0.0064091900000000 ] - [ -0.0001765400000000, -0.0002627200000000, 0.0006837000000000 ] - [ 0.0012835200000000, 0.0008815500000000, 0.0059033900000000 ] - [ -0.0006883800000000, 0.0008934800000000, 0.0000702700000000 ] - [ -0.0013233700000000, -0.0003446700000000, 0.0008926100000000 ] - [ 0.0000618800000000, 0.0000736400000000, 0.0007206200000000 ] - [ -0.0000784700000000, -0.0005033900000000, 0.0007903300000000 ] - [ 0.0006539500000000, 0.0004556700000000, 0.0011459100000000 ] - [ -0.0011156800000000, 0.0011779100000000, 0.0064182400000000 ] - [ -0.0000074200000000, 0.0001072900000000, 0.0006940200000000 ] - [ -0.0002741300000000, 0.0010823800000000, -0.0014621400000000 ] - [ -0.0005681600000000, -0.0007008600000000, -0.0009311200000000 ] - [ -0.0004049000000000, -0.0013692700000000, -0.0026002600000000 ] - [ -0.0001345100000000, 0.0000812400000000, -0.0003032900000000 ] - [ 0.0001407200000000, -0.0000482600000000, -0.0001383600000000 ] - [ 0.0007685500000000, -0.0002138100000000, -0.0025649000000000 ] - [ -0.0001035000000000, -0.0002484900000000, -0.0002424800000000 ] - [ 0.0006119400000000, 0.0005492100000000, -0.0006597900000000 ] - [ -0.0003049600000000, -0.0003841600000000, -0.0007281200000000 ] - [ -0.0005288200000000, -0.0001563200000000, -0.0015287200000000 ] - [ -0.0001395000000000, 0.0005023100000000, -0.0008705000000000 ] - [ -0.0002335500000000, 0.0004822800000000, -0.0001484500000000 ] - [ 0.0000943200000000, -0.0003320500000000, -0.0015689900000000 ] - [ 0.0001561300000000, 0.0001466900000000, -0.0004160100000000 ] - [ 0.0001513600000000, 0.0001815800000000, -0.0006815700000000 ] - [ 0.0003637000000000, -0.0000237100000000, -0.0007431000000000 ] - [ -0.0002438900000000, -0.0001688100000000, -0.0006237700000000 ] - [ -0.0001621500000000, 0.0004407200000000, -0.0006020600000000 ] - [ -0.0000189100000000, 0.0001477700000000, -0.0000615100000000 ] - [ -0.0006635100000000, -0.0004756400000000, -0.0016123600000000 ] - [ 0.0005548000000000, 0.0007223600000000, -0.0000948300000000 ] - [ 0.0002263100000000, -0.0007163100000000, 0.0003437800000000 ] - [ 0.0015656400000000, -0.0011332400000000, 0.0039483700000000 ] - [ 0.0000181900000000, 0.0004409000000000, 0.0001194500000000 ] - [ -0.0002638000000000, 0.0001683200000000, 0.0001412400000000 ] - [ 0.0027313400000000, -0.0026890400000000, 0.0087764000000000 ] - [ -0.0011682500000000, -0.0005126300000000, 0.0004155400000000 ] - [ -0.0001501800000000, 0.0007713200000000, 0.0004989500000000 ] - [ 0.0007378600000000, 0.0001353600000000, 0.0004825600000000 ] - [ 0.0012371000000000, 0.0008237900000000, 0.0000840900000000 ] - [ 0.0171148700000000, -0.0236150500000000, 0.0338379700000000 ] - [ -0.0003740000000000, -0.0007744000000000, 0.0013969200000000 ] - [ 0.0011739400000000, -0.0012968700000000, -0.0017145900000000 ] - [ 0.0008355500000000, -0.0004045100000000, -0.0014827800000000 ] - [ 0.0014765500000000, 0.0021349400000000, -0.0052090500000000 ] - [ -0.0001285500000000, 0.0008959200000000, -0.0005411600000000 ] - [ -0.0024441800000000, 0.0018622400000000, 0.0005400800000000 ] - [ -0.0020045900000000, -0.0029432100000000, 0.0005585300000000 ] - [ 0.0032641600000000, -0.0000485100000000, -0.0119241300000000 ] - [ -0.0011650900000000, -0.0008137400000000, -0.0019591500000000 ] - [ -0.0234025400000000, 0.0259630800000000, -0.0612584000000000 ] - [ 0.0006278300000000, 0.0001080900000000, -0.0007585600000000 ] - [ -0.0053797300000000, -0.0062185900000000, 0.0044939100000000 ] - [ 0.0000293800000000, 0.0004063000000000, -0.0002071600000000 ] - [ 0.0072841000000000, 0.0049312600000000, 0.0036146400000000 ] - [ 0.0006806800000000, -0.0011979100000000, -0.0002410600000000 ] - [ -0.0032653300000000, -0.0000107800000000, 0.0011663700000000 ] - [ -0.0007664300000000, -0.0004338600000000, -0.0003106400000000 ] - [ -0.0006624000000000, 0.0035224900000000, 0.0010678500000000 ] - [ 0.0009711400000000, -0.0007115200000000, -0.0000934800000000 ] - [ -0.0002591300000000, 0.0008124900000000, 0.0016904000000000 ] - [ 0.0002777100000000, -0.0000253600000000, 0.0016604800000000 ] - [ -0.0002758300000000, -0.0001899100000000, 0.0016275400000000 ] - [ 0.0002163600000000, 0.0001562100000000, 0.0019645900000000 ] - [ 0.0003559900000000, -0.0004731300000000, 0.0015974200000000 ] - [ -0.0007533000000000, -0.0004845000000000, 0.0019934100000000 ] - [ 0.0002505000000000, 0.0004957600000000, 0.0027221500000000 ] - [ 0.0001785500000000, -0.0004673300000000, 0.0002711200000000 ] - [ 0.0005403300000000, 0.0006391500000000, 0.0001102500000000 ] - [ -0.0005257400000000, -0.0023395200000000, 0.0031133700000000 ] - [ -0.0022610300000000, -0.0004062300000000, 0.0029535700000000 ] - [ -0.0009170200000000, -0.0004265100000000, 0.0000008800000000 ] - [ 0.0040557000000000, -0.0009136600000000, 0.0020124700000000 ] - [ 0.0004375200000000, 0.0001641300000000, 0.0005993500000000 ] - [ 0.0000851300000000, 0.0041321700000000, 0.0023620400000000 ] - [ 0.0003337300000000, -0.0004101300000000, 0.0004262000000000 ] - [ -0.0006418000000000, -0.0001502700000000, -0.0013961500000000 ] - [ 0.0007499900000000, 0.0005328400000000, -0.0011968600000000 ] - [ 0.0011761200000000, 0.0007241800000000, -0.0017447000000000 ] - [ 0.0013071200000000, -0.0012776500000000, -0.0016999700000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0009667700000000, 0.0006254100000000, -0.0059286500000000 ] - [ -0.0000535100000000, -0.0004962200000000, -0.0002238400000000 ] - [ -0.0015353100000000, -0.0007794800000000, -0.0062698100000000 ] - [ 0.0009734300000000, -0.0008273200000000, -0.0004406600000000 ] - [ 0.0011436300000000, 0.0001119900000000, -0.0009803000000000 ] - [ 0.0001176800000000, -0.0002994400000000, -0.0008100400000000 ] - [ 0.0000187600000000, 0.0001373200000000, -0.0007751600000000 ] - [ -0.0005967500000000, -0.0008241600000000, -0.0011311400000000 ] - [ 0.0008331000000000, -0.0011314400000000, -0.0058367200000000 ] - [ 0.0001787400000000, -0.0001865200000000, -0.0001978100000000 ] - [ 0.0004485300000000, -0.0011582000000000, 0.0009661600000000 ] - [ 0.0003929700000000, 0.0006238800000000, 0.0004384200000000 ] - [ 0.0003396600000000, 0.0009924100000000, 0.0025793600000000 ] - [ 0.0001916000000000, -0.0004477800000000, 0.0002909100000000 ] - [ 0.0000383500000000, -0.0001811700000000, 0.0002295300000000 ] - [ -0.0009390800000000, -0.0000105300000000, 0.0026430800000000 ] - [ -0.0001851500000000, 0.0003109500000000, 0.0006173300000000 ] - [ -0.0003222200000000, -0.0004856800000000, 0.0010349000000000 ] - [ 0.0000753200000000, -0.0003760500000000, 0.0002713800000000 ] - [ 0.0007583900000000, -0.0006050800000000, 0.0010703000000000 ] - [ 0.0003740400000000, 0.0002566600000000, 0.0013311200000000 ] - [ 0.0000037400000000, 0.0002794400000000, 0.0006063800000000 ] - [ -0.0003849000000000, 0.0002719900000000, 0.0011995200000000 ] - [ 0.0001312600000000, -0.0002091100000000, 0.0000417800000000 ] - [ -0.0003319000000000, 0.0000480600000000, 0.0005910100000000 ] - [ -0.0001838800000000, 0.0002542800000000, 0.0006525700000000 ] - [ 0.0001857800000000, 0.0005376100000000, 0.0006356300000000 ] - [ 0.0002201400000000, -0.0000721800000000, 0.0006136100000000 ] - [ 0.0001939200000000, -0.0000699800000000, 0.0005556700000000 ] - [ 0.0004967300000000, 0.0005576600000000, 0.0021175300000000 ] - [ -0.0003843200000000, -0.0006422700000000, -0.0004014900000000 ] - [ -0.0004012900000000, 0.0007983800000000, -0.0008412000000000 ] - [ -0.0014132800000000, 0.0013334000000000, -0.0042881700000000 ] - [ 0.0000379800000000, -0.0000743500000000, -0.0001346600000000 ] - [ 0.0004425300000000, 0.0000625300000000, -0.0000528500000000 ] - [ -0.0032197500000000, 0.0032267300000000, -0.0090670300000000 ] - [ 0.0008789200000000, 0.0004504400000000, -0.0000460800000000 ] - [ 0.0004407500000000, -0.0008326200000000, -0.0001290400000000 ] - [ -0.0009691800000000, 0.0006269300000000, -0.0009437800000000 ] - [ -0.0010091700000000, -0.0000651400000000, -0.0005480400000000 ] - [ -0.0163296300000000, 0.0213007100000000, -0.0333321400000000 ] - [ 0.0001480100000000, -0.0009052200000000, -0.0012050200000000 ] - [ -0.0014045100000000, -0.0003940400000000, 0.0015306100000000 ] - [ -0.0006109900000000, -0.0012821100000000, 0.0012955000000000 ] - [ -0.0012600900000000, -0.0004698500000000, 0.0054162500000000 ] - [ -0.0001021500000000, 0.0007877300000000, 0.0007258500000000 ] - [ 0.0026686100000000, -0.0001793100000000, -0.0007353100000000 ] - [ 0.0017884200000000, 0.0046396500000000, -0.0007678200000000 ] - [ -0.0032826200000000, 0.0004343100000000, 0.0115282300000000 ] - [ 0.0011752600000000, 0.0011751500000000, 0.0015942400000000 ] - [ 0.0227240900000000, -0.0250043500000000, 0.0612263100000000 ] - [ -0.0003000800000000, 0.0004783900000000, 0.0003671100000000 ] - [ 0.0054817600000000, 0.0058600800000000, -0.0044471000000000 ] - [ -0.0001324000000000, -0.0007393900000000, 0.0002579300000000 ] - [ -0.0067223700000000, -0.0049367300000000, -0.0037574300000000 ] - [ -0.0012162700000000, 0.0011897400000000, 0.0001095700000000 ] - [ 0.0037967000000000, 0.0000075400000000, -0.0010481800000000 ] - [ 0.0002265900000000, 0.0004298700000000, 0.0004379000000000 ] - [ 0.0005618000000000, -0.0038499300000000, -0.0011355900000000 ] - [ -0.0008651700000000, 0.0003767400000000, 0.0000394600000000 ] - [ -0.0000675500000000, -0.0002243100000000, -0.0012990800000000 ] - [ 0.0000505200000000, 0.0006124400000000, -0.0012684400000000 ] - [ 0.0002952700000000, 0.0005626500000000, -0.0012628900000000 ] - [ -0.0002373900000000, 0.0002127500000000, -0.0015986500000000 ] - [ -0.0003355300000000, 0.0001018800000000, -0.0019655700000000 ] - [ 0.0007397200000000, 0.0001190700000000, -0.0023675000000000 ] - [ -0.0005793100000000, -0.0010822200000000, -0.0031193800000000 ] - [ 0.0001492700000000, -0.0001202300000000, -0.0006633400000000 ] - [ -0.0006429500000000, -0.0003059900000000, -0.0000553900000000 ] - [ 0.0006237900000000, 0.0026899300000000, -0.0030600700000000 ] - [ 0.0028192600000000, 0.0004120100000000, -0.0030910200000000 ] - [ 0.0003807200000000, 0.0004297600000000, -0.0001287200000000 ] - [ -0.0035346500000000, 0.0009230800000000, -0.0018824900000000 ] - [ -0.0009793700000000, -0.0001617300000000, -0.0004684300000000 ] - [ -0.0001906900000000, -0.0038205000000000, -0.0024192500000000 ] - [ -0.0002274000000000, 0.0007447800000000, -0.0004766200000000 ] - [ 0.0009720700000000, -0.0004411300000000, 0.0017937800000000 ] - [ -0.0010749400000000, -0.0011184200000000, 0.0015899400000000 ] - [ -0.0011543500000000, -0.0010805800000000, 0.0021237700000000 ] - [ -0.0013044400000000, 0.0008964600000000, 0.0020792500000000 ]- atom: 53 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0026019400000000, 0.0029797300000000, -0.0036201400000000 ] - [ -0.0007102100000000, -0.0008380300000000, -0.0002460300000000 ] - [ 0.0001554800000000, -0.0018946200000000, 0.0000600200000000 ] - [ -0.0014759300000000, 0.0009534800000000, -0.0004372800000000 ] - [ -0.0026417500000000, -0.0002454900000000, -0.0001219300000000 ] - [ 0.0009057100000000, 0.0001332200000000, 0.0000556500000000 ] - [ -0.0007769900000000, 0.0001409200000000, -0.0005343100000000 ] - [ 0.0057476400000000, 0.0008122800000000, 0.0004683400000000 ] - [ 0.0011413600000000, 0.0002189400000000, -0.0008566800000000 ] - [ -0.0024346700000000, -0.0007616700000000, -0.0004507000000000 ] - [ 0.0082649700000000, -0.0026566400000000, 0.0017278600000000 ] - [ -0.0012234500000000, -0.0004973600000000, -0.0009529200000000 ] - [ 0.0011208800000000, -0.0012011200000000, -0.0009360100000000 ] - [ -0.0010495500000000, -0.0000599800000000, -0.0001595400000000 ] - [ -0.0007257700000000, -0.0003574900000000, 0.0003114800000000 ] - [ 0.0049476100000000, 0.0006321300000000, 0.0004553800000000 ] - [ -0.0006396300000000, 0.0005137100000000, 0.0004787600000000 ] - [ 0.0053200000000000, -0.0000086500000000, -0.0001049000000000 ] - [ 0.0003940400000000, -0.0001812400000000, -0.0005216500000000 ] - [ -0.0019617900000000, -0.0003675700000000, -0.0013829200000000 ] - [ 0.0004042500000000, 0.0005197700000000, 0.0006548900000000 ] - [ -0.0007876700000000, -0.0000528500000000, 0.0008223300000000 ] - [ 0.0003810600000000, -0.0001899300000000, -0.0006597500000000 ] - [ -0.0000599300000000, 0.0000499000000000, -0.0002083300000000 ] - [ -0.0005247600000000, 0.0001326400000000, 0.0000603300000000 ] - [ 0.0008034600000000, 0.0003340100000000, -0.0002179800000000 ] - [ -0.0005511000000000, 0.0004439200000000, 0.0006120500000000 ] - [ 0.0002513900000000, -0.0000429700000000, 0.0002656700000000 ] - [ -0.0002177000000000, -0.0000203200000000, 0.0003846200000000 ] - [ 0.0005642000000000, 0.0004953700000000, 0.0011790900000000 ] - [ 0.0003708000000000, -0.0000631300000000, -0.0001546300000000 ] - [ -0.0010486600000000, -0.0004028600000000, 0.0005742600000000 ] - [ 0.0005371200000000, 0.0000512000000000, 0.0019244100000000 ] - [ -0.0002330300000000, 0.0003033700000000, 0.0001237800000000 ] - [ -0.0007468400000000, -0.0001128400000000, -0.0001857700000000 ] - [ 0.0006128000000000, -0.0002156900000000, 0.0005885100000000 ] - [ -0.0008144300000000, 0.0004322800000000, -0.0001541900000000 ] - [ 0.0003631400000000, -0.0004316400000000, 0.0000834700000000 ] - [ 0.0006848800000000, 0.0013356600000000, 0.0006818700000000 ] - [ -0.0002897000000000, 0.0000193900000000, 0.0001955800000000 ] - [ 0.0337908800000000, 0.0131728300000000, -0.0153303100000000 ] - [ -0.0021914500000000, -0.0006901000000000, 0.0002649500000000 ] - [ 0.0026611000000000, -0.0036359500000000, 0.0008613900000000 ] - [ -0.0102423500000000, 0.0006134700000000, 0.0009518300000000 ] - [ 0.0010568100000000, 0.0004708400000000, 0.0004861500000000 ] - [ -0.0022396400000000, 0.0012835000000000, 0.0000246100000000 ] - [ -0.0005684400000000, 0.0008140300000000, 0.0001702900000000 ] - [ 0.0029306300000000, 0.0004243700000000, -0.0024342000000000 ] - [ 0.0079448200000000, -0.0051357700000000, -0.0094202100000000 ] - [ 0.0001178000000000, 0.0008260700000000, -0.0004617300000000 ] - [ -0.0121897200000000, 0.0069195600000000, -0.0056343400000000 ] - [ 0.0017932700000000, 0.0006678000000000, -0.0002727600000000 ] - [ -0.0654808300000000, -0.0228031600000000, 0.0220775500000000 ] - [ 0.0019865800000000, -0.0003587600000000, 0.0007102400000000 ] - [ 0.0078599600000000, 0.0083661000000000, 0.0059813200000000 ] - [ 0.0015207000000000, -0.0027710600000000, -0.0001675800000000 ] - [ 0.0042680700000000, -0.0046376500000000, -0.0002765600000000 ] - [ 0.0014035600000000, 0.0065970700000000, -0.0007274900000000 ] - [ -0.0022152900000000, 0.0012361500000000, 0.0011847200000000 ] - [ 0.0043579100000000, 0.0003724700000000, 0.0015180800000000 ] - [ 0.0026302000000000, -0.0011421300000000, -0.0007223300000000 ] - [ -0.0022737100000000, 0.0005172900000000, -0.0004253300000000 ] - [ 0.0002701200000000, 0.0002806100000000, -0.0005506500000000 ] - [ 0.0039745900000000, -0.0011101100000000, -0.0040074400000000 ] - [ 0.0021931200000000, -0.0010584200000000, 0.0028743400000000 ] - [ -0.0000868800000000, 0.0001860500000000, 0.0005647900000000 ] - [ -0.0021055600000000, -0.0008876800000000, -0.0007745200000000 ] - [ 0.0015989600000000, -0.0006320600000000, -0.0007831700000000 ] - [ 0.0019682300000000, 0.0005472300000000, -0.0002440600000000 ] - [ -0.0004824200000000, 0.0007181900000000, -0.0003144500000000 ] - [ 0.0002421800000000, 0.0008046600000000, -0.0010895800000000 ] - [ -0.0004921500000000, -0.0004876000000000, -0.0004171800000000 ] - [ 0.0001328100000000, -0.0006649000000000, -0.0006739700000000 ] - [ -0.0000052800000000, 0.0006335600000000, 0.0000695800000000 ] - [ -0.0021438000000000, -0.0009222500000000, -0.0003689900000000 ] - [ 0.0005594100000000, 0.0000936600000000, -0.0001675400000000 ] - [ -0.0019960500000000, 0.0002291400000000, 0.0003399100000000 ] - [ 0.0014309900000000, 0.0001254400000000, -0.0000913300000000 ] - [ 0.0016970200000000, 0.0008997000000000, 0.0066406700000000 ] - [ -0.0003352800000000, 0.0002379600000000, 0.0008326100000000 ]- atom: 53 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0024968100000000, -0.0036454600000000, 0.0039638900000000 ] - [ 0.0004766300000000, 0.0000798300000000, 0.0007012100000000 ] - [ -0.0004424300000000, 0.0019438600000000, -0.0004359400000000 ] - [ 0.0017593700000000, -0.0008861800000000, 0.0000619300000000 ] - [ 0.0024537800000000, 0.0000142600000000, 0.0000348400000000 ] - [ -0.0007197300000000, -0.0003702400000000, -0.0001464200000000 ] - [ 0.0007146400000000, -0.0005081100000000, 0.0005470600000000 ] - [ -0.0057414300000000, -0.0013105200000000, -0.0005628900000000 ] - [ -0.0013103900000000, -0.0002987000000000, 0.0013470800000000 ] - [ 0.0026129800000000, 0.0006924700000000, 0.0009525600000000 ] - [ -0.0078482700000000, 0.0023331300000000, -0.0020359500000000 ] - [ 0.0010512700000000, 0.0004179100000000, 0.0004556000000000 ] - [ -0.0011740600000000, 0.0008352400000000, 0.0009207100000000 ] - [ 0.0011099600000000, -0.0003058100000000, 0.0001458500000000 ] - [ 0.0009016900000000, 0.0001286600000000, -0.0002241800000000 ] - [ -0.0051558300000000, -0.0007809100000000, -0.0003056900000000 ] - [ 0.0003469600000000, -0.0004547000000000, -0.0001027100000000 ] - [ -0.0051618300000000, -0.0000705500000000, 0.0006674800000000 ] - [ -0.0006220500000000, -0.0005786900000000, 0.0000647900000000 ] - [ 0.0021865100000000, -0.0003917300000000, 0.0009184500000000 ] - [ -0.0001739400000000, 0.0002386300000000, -0.0001968300000000 ] - [ 0.0005533100000000, 0.0008124000000000, -0.0003658700000000 ] - [ -0.0006635400000000, 0.0001310500000000, 0.0002877000000000 ] - [ 0.0003499200000000, -0.0001090700000000, -0.0001685100000000 ] - [ 0.0003463900000000, 0.0000965900000000, -0.0001491100000000 ] - [ -0.0006189900000000, -0.0001043400000000, 0.0001346900000000 ] - [ 0.0004870600000000, -0.0000740100000000, -0.0005993600000000 ] - [ -0.0001922600000000, 0.0004109800000000, -0.0002519900000000 ] - [ 0.0003872400000000, 0.0000978400000000, 0.0001114700000000 ] - [ -0.0007381900000000, -0.0004165600000000, -0.0006786300000000 ] - [ -0.0002004700000000, 0.0001423900000000, -0.0003388200000000 ] - [ 0.0008779900000000, 0.0004816800000000, -0.0010656900000000 ] - [ -0.0005927800000000, 0.0003152400000000, -0.0019245000000000 ] - [ 0.0002931400000000, 0.0000640100000000, -0.0001355800000000 ] - [ 0.0009228700000000, 0.0003444000000000, 0.0002739700000000 ] - [ -0.0007940000000000, 0.0004445600000000, -0.0004987800000000 ] - [ 0.0005226500000000, -0.0004919900000000, 0.0005318100000000 ] - [ -0.0000750200000000, 0.0003689500000000, 0.0002929700000000 ] - [ -0.0009110900000000, -0.0005739600000000, -0.0011357400000000 ] - [ 0.0005201200000000, 0.0007370900000000, -0.0006489400000000 ] - [ -0.0326872000000000, -0.0140625100000000, 0.0146613500000000 ] - [ 0.0019666900000000, -0.0009809900000000, -0.0000973700000000 ] - [ -0.0028975000000000, 0.0019465400000000, -0.0010370900000000 ] - [ 0.0105043100000000, -0.0023097300000000, -0.0011543400000000 ] - [ -0.0008204900000000, 0.0011944400000000, -0.0003133900000000 ] - [ 0.0020166800000000, 0.0003822200000000, 0.0001535900000000 ] - [ 0.0007953800000000, 0.0008526100000000, -0.0003360300000000 ] - [ -0.0031688700000000, 0.0012510400000000, 0.0022479300000000 ] - [ -0.0079545300000000, 0.0054988400000000, 0.0090543500000000 ] - [ -0.0000771300000000, -0.0004412900000000, 0.0001263500000000 ] - [ 0.0118040800000000, -0.0063294300000000, 0.0052425000000000 ] - [ -0.0014920400000000, -0.0001124800000000, -0.0000950800000000 ] - [ 0.0647958200000000, 0.0220033100000000, -0.0213841100000000 ] - [ -0.0021228100000000, 0.0000500200000000, -0.0006791500000000 ] - [ -0.0073191100000000, -0.0083687200000000, -0.0061138300000000 ] - [ -0.0020385200000000, 0.0027279300000000, 0.0000185600000000 ] - [ -0.0037468800000000, 0.0046256300000000, 0.0004316600000000 ] - [ -0.0019011000000000, -0.0066463200000000, 0.0008777800000000 ] - [ 0.0020710900000000, -0.0015410100000000, -0.0012080800000000 ] - [ -0.0042160900000000, -0.0006865800000000, -0.0015449900000000 ] - [ -0.0029355500000000, 0.0017079000000000, 0.0010999400000000 ] - [ 0.0025797600000000, 0.0000720500000000, 0.0007845200000000 ] - [ -0.0002202900000000, 0.0001066300000000, 0.0008800300000000 ] - [ -0.0039966800000000, 0.0014872500000000, 0.0043647900000000 ] - [ -0.0021572100000000, 0.0006717600000000, -0.0031965500000000 ] - [ 0.0000376700000000, -0.0005650000000000, -0.0008932900000000 ] - [ 0.0017996100000000, 0.0003152300000000, 0.0003908100000000 ] - [ -0.0012989700000000, 0.0000751200000000, 0.0004145100000000 ] - [ -0.0021036000000000, -0.0002338300000000, 0.0002730400000000 ] - [ 0.0006225400000000, -0.0004025500000000, 0.0003388700000000 ] - [ 0.0002649700000000, -0.0007635900000000, 0.0009329000000000 ] - [ -0.0000222100000000, 0.0005235500000000, 0.0002625100000000 ] - [ 0.0003819100000000, 0.0006994000000000, 0.0008205200000000 ] - [ -0.0005042300000000, -0.0005960700000000, 0.0000810900000000 ] - [ 0.0019998800000000, 0.0012315400000000, 0.0003358000000000 ] - [ -0.0004217300000000, 0.0002211500000000, 0.0001374000000000 ] - [ 0.0023011800000000, -0.0007806500000000, 0.0000503300000000 ] - [ -0.0017283500000000, -0.0006786400000000, 0.0004560900000000 ] - [ -0.0016412700000000, -0.0012879000000000, -0.0063229600000000 ] - [ 0.0002894600000000, -0.0006165300000000, -0.0005028900000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0013070500000000, 0.0042129900000000, 0.0010254400000000 ] - [ -0.0005262200000000, -0.0010601800000000, -0.0003121800000000 ] - [ -0.0003038400000000, -0.0018003100000000, -0.0000948700000000 ] - [ 0.0000626500000000, 0.0012337200000000, -0.0009127000000000 ] - [ -0.0015348400000000, -0.0001710300000000, 0.0000612900000000 ] - [ 0.0011473700000000, -0.0024745200000000, -0.0011382800000000 ] - [ 0.0001044100000000, -0.0007258600000000, 0.0001907300000000 ] - [ 0.0018115600000000, 0.0076606800000000, 0.0020799500000000 ] - [ 0.0005559900000000, -0.0021780500000000, 0.0002892500000000 ] - [ -0.0011756400000000, 0.0005427200000000, -0.0001218800000000 ] - [ -0.0000095700000000, 0.0058524500000000, -0.0007351600000000 ] - [ -0.0005582300000000, -0.0007581200000000, -0.0006082200000000 ] - [ -0.0003168900000000, -0.0023668900000000, -0.0008873400000000 ] - [ 0.0005296400000000, 0.0002739100000000, 0.0001010400000000 ] - [ -0.0005028800000000, -0.0004017900000000, 0.0004120900000000 ] - [ -0.0015625900000000, 0.0074343000000000, 0.0022339200000000 ] - [ -0.0001648800000000, -0.0007389600000000, -0.0001202800000000 ] - [ 0.0002607800000000, 0.0057972200000000, -0.0002253700000000 ] - [ 0.0005894200000000, -0.0016516200000000, -0.0000674800000000 ] - [ -0.0004509700000000, 0.0003686300000000, -0.0010289100000000 ] - [ 0.0003494300000000, -0.0001728600000000, 0.0002466300000000 ] - [ -0.0004796800000000, 0.0007234000000000, 0.0004384800000000 ] - [ -0.0002627800000000, 0.0006542100000000, -0.0003643200000000 ] - [ 0.0001497400000000, -0.0002962700000000, -0.0000453500000000 ] - [ -0.0002246800000000, -0.0000439100000000, -0.0000667800000000 ] - [ 0.0006855700000000, 0.0004214200000000, 0.0010417200000000 ] - [ -0.0000860000000000, 0.0002860100000000, -0.0000640600000000 ] - [ -0.0002220900000000, -0.0002436900000000, 0.0006098400000000 ] - [ -0.0001551900000000, -0.0001076900000000, 0.0004442800000000 ] - [ 0.0001006200000000, 0.0005527300000000, -0.0000351800000000 ] - [ 0.0004159200000000, -0.0004313500000000, -0.0003852400000000 ] - [ -0.0006640800000000, -0.0001718100000000, 0.0003496000000000 ] - [ 0.0001777100000000, 0.0004270900000000, 0.0014020900000000 ] - [ -0.0000158000000000, 0.0001503900000000, -0.0000689300000000 ] - [ -0.0003024800000000, 0.0002305800000000, -0.0000469300000000 ] - [ 0.0004487500000000, -0.0004857900000000, 0.0006884600000000 ] - [ -0.0003117800000000, 0.0003517200000000, 0.0003125400000000 ] - [ -0.0000265800000000, -0.0007101700000000, 0.0000317700000000 ] - [ 0.0007754700000000, 0.0013937000000000, -0.0002272400000000 ] - [ -0.0001590300000000, -0.0001194900000000, -0.0000463700000000 ] - [ 0.0153255400000000, 0.0194114900000000, -0.0082018700000000 ] - [ 0.0005191200000000, -0.0026416600000000, -0.0008427800000000 ] - [ -0.0006245500000000, -0.0077174200000000, 0.0002786000000000 ] - [ 0.0014167600000000, 0.0017985000000000, -0.0014143300000000 ] - [ 0.0000385000000000, -0.0009942400000000, 0.0000083600000000 ] - [ 0.0001695300000000, 0.0015071900000000, 0.0012339900000000 ] - [ 0.0000281600000000, 0.0000934700000000, 0.0002926800000000 ] - [ -0.0003785200000000, 0.0027503900000000, -0.0022121600000000 ] - [ 0.0058366300000000, -0.0057989800000000, -0.0083215200000000 ] - [ 0.0004106600000000, 0.0014492000000000, 0.0003402700000000 ] - [ -0.0021500800000000, 0.0052720400000000, -0.0062464900000000 ] - [ 0.0005547200000000, -0.0000648600000000, 0.0003764100000000 ] - [ -0.0223749300000000, -0.0591683800000000, 0.0150143900000000 ] - [ 0.0001437400000000, 0.0013808800000000, -0.0001166400000000 ] - [ 0.0051487400000000, 0.0053446600000000, 0.0026690000000000 ] - [ -0.0042437600000000, 0.0023524900000000, 0.0008368300000000 ] - [ -0.0044971200000000, 0.0014232600000000, 0.0009509600000000 ] - [ 0.0037086800000000, 0.0046397100000000, -0.0007721500000000 ] - [ -0.0014470600000000, 0.0033004400000000, 0.0011369100000000 ] - [ 0.0005895500000000, -0.0015700600000000, 0.0001802300000000 ] - [ -0.0000325400000000, 0.0003432800000000, 0.0007383100000000 ] - [ 0.0007232100000000, 0.0056372100000000, -0.0034738700000000 ] - [ 0.0010267700000000, 0.0015918200000000, -0.0009080400000000 ] - [ 0.0005500400000000, -0.0022564400000000, 0.0007791800000000 ] - [ -0.0014135100000000, -0.0017216800000000, -0.0012076100000000 ] - [ 0.0000249800000000, 0.0010433600000000, -0.0003120200000000 ] - [ 0.0003014900000000, 0.0014012200000000, 0.0023244800000000 ] - [ 0.0005154400000000, -0.0006027400000000, -0.0006655700000000 ] - [ 0.0003319600000000, -0.0004218000000000, -0.0004038800000000 ] - [ -0.0005012700000000, 0.0016490500000000, -0.0001266300000000 ] - [ 0.0004461000000000, 0.0003707300000000, -0.0008243600000000 ] - [ -0.0006833100000000, -0.0002393600000000, -0.0004939100000000 ] - [ -0.0000488900000000, -0.0000019700000000, -0.0001001600000000 ] - [ 0.0002823400000000, 0.0001617800000000, -0.0000093100000000 ] - [ -0.0011373800000000, -0.0013801100000000, -0.0003620600000000 ] - [ 0.0001225400000000, 0.0006314600000000, -0.0001957500000000 ] - [ 0.0002890000000000, 0.0003347200000000, 0.0041639500000000 ] - [ 0.0005496700000000, 0.0002982900000000, -0.0003841700000000 ] - [ 0.0012400900000000, -0.0021092900000000, 0.0016388100000000 ] - [ -0.0002163500000000, 0.0010448200000000, 0.0002758700000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0011421800000000, -0.0049035300000000, -0.0006311700000000 ] - [ 0.0002966200000000, 0.0003026600000000, 0.0007706100000000 ] - [ 0.0000114700000000, 0.0018668000000000, -0.0002777300000000 ] - [ 0.0002256400000000, -0.0011725400000000, 0.0005395500000000 ] - [ 0.0013556600000000, -0.0000583000000000, -0.0001498200000000 ] - [ -0.0009769800000000, 0.0022603700000000, 0.0010603400000000 ] - [ -0.0001632000000000, 0.0003609500000000, -0.0001756500000000 ] - [ -0.0019835200000000, -0.0083594300000000, -0.0023724900000000 ] - [ -0.0007207500000000, 0.0020922700000000, 0.0002130900000000 ] - [ 0.0013430400000000, -0.0006253000000000, 0.0006180600000000 ] - [ 0.0003853100000000, -0.0060880700000000, 0.0003718600000000 ] - [ 0.0003847300000000, 0.0006845200000000, 0.0001125200000000 ] - [ 0.0002476900000000, 0.0019902200000000, 0.0008682300000000 ] - [ -0.0004696300000000, -0.0006443000000000, -0.0001168400000000 ] - [ 0.0006814500000000, 0.0001726300000000, -0.0003242000000000 ] - [ 0.0012289300000000, -0.0073717400000000, -0.0018765600000000 ] - [ -0.0001238200000000, 0.0008037200000000, 0.0004938700000000 ] - [ -0.0000928800000000, -0.0058305000000000, 0.0007481100000000 ] - [ -0.0008243800000000, 0.0008969300000000, -0.0003933200000000 ] - [ 0.0006833300000000, -0.0011251400000000, 0.0005707500000000 ] - [ -0.0001175500000000, 0.0009357300000000, 0.0002097400000000 ] - [ 0.0002488500000000, 0.0000352600000000, 0.0000188700000000 ] - [ -0.0000260000000000, -0.0007119700000000, -0.0000056600000000 ] - [ 0.0001384600000000, 0.0002346300000000, -0.0003300300000000 ] - [ 0.0000455000000000, 0.0002762400000000, -0.0000221800000000 ] - [ -0.0005081500000000, -0.0001944100000000, -0.0011304200000000 ] - [ 0.0000236900000000, 0.0000857300000000, 0.0000785200000000 ] - [ 0.0002824500000000, 0.0006125700000000, -0.0005983500000000 ] - [ 0.0003287100000000, 0.0001847100000000, 0.0000502900000000 ] - [ -0.0002713100000000, -0.0004726800000000, 0.0005325400000000 ] - [ -0.0002468900000000, 0.0005114200000000, -0.0001092400000000 ] - [ 0.0004932100000000, 0.0002533900000000, -0.0008460500000000 ] - [ -0.0002353900000000, -0.0000587900000000, -0.0014187900000000 ] - [ 0.0000740900000000, 0.0002171800000000, 0.0000553500000000 ] - [ 0.0004783600000000, -0.0000008200000000, 0.0001359200000000 ] - [ -0.0006274300000000, 0.0007193600000000, -0.0006006800000000 ] - [ 0.0000200000000000, -0.0004112100000000, 0.0000606000000000 ] - [ 0.0003169000000000, 0.0006477700000000, 0.0003426700000000 ] - [ -0.0010061400000000, -0.0006355000000000, -0.0002302600000000 ] - [ 0.0003876000000000, 0.0008803700000000, -0.0004115000000000 ] - [ -0.0146537000000000, -0.0209864800000000, 0.0081079400000000 ] - [ -0.0007483100000000, 0.0009564500000000, 0.0010311700000000 ] - [ 0.0004153000000000, 0.0060573400000000, -0.0004828200000000 ] - [ -0.0012046200000000, -0.0034722500000000, 0.0012202600000000 ] - [ 0.0001857400000000, 0.0026830100000000, 0.0001757600000000 ] - [ -0.0003890000000000, 0.0001748900000000, -0.0010407500000000 ] - [ 0.0001983000000000, 0.0015972200000000, -0.0004773400000000 ] - [ 0.0001607300000000, -0.0010760100000000, 0.0020144800000000 ] - [ -0.0058530900000000, 0.0061723500000000, 0.0079415500000000 ] - [ -0.0003865400000000, -0.0010762700000000, -0.0007021600000000 ] - [ 0.0018500400000000, -0.0047032100000000, 0.0058345700000000 ] - [ -0.0002293000000000, 0.0006505000000000, -0.0007663300000000 ] - [ 0.0224141300000000, 0.0588888600000000, -0.0147975400000000 ] - [ -0.0002563900000000, -0.0017111000000000, 0.0001644200000000 ] - [ -0.0046158400000000, -0.0053741200000000, -0.0028333500000000 ] - [ 0.0037256600000000, -0.0023636900000000, -0.0009699800000000 ] - [ 0.0050065500000000, -0.0014380600000000, -0.0008165700000000 ] - [ -0.0042726400000000, -0.0046499200000000, 0.0009065200000000 ] - [ 0.0013366900000000, -0.0036310800000000, -0.0011835400000000 ] - [ -0.0004765400000000, 0.0012459400000000, -0.0002251600000000 ] - [ -0.0002908000000000, 0.0002351600000000, -0.0003520700000000 ] - [ -0.0003967700000000, -0.0050622500000000, 0.0038950200000000 ] - [ -0.0010066700000000, -0.0012185400000000, 0.0012714800000000 ] - [ -0.0005533000000000, 0.0026235700000000, -0.0004282200000000 ] - [ 0.0014256100000000, 0.0013557600000000, 0.0008384700000000 ] - [ -0.0000461600000000, -0.0014169100000000, -0.0000485300000000 ] - [ -0.0006239300000000, -0.0019844700000000, -0.0027021100000000 ] - [ -0.0001948200000000, 0.0000270200000000, 0.0002819500000000 ] - [ -0.0004425800000000, 0.0007511700000000, 0.0004494300000000 ] - [ 0.0006127100000000, -0.0013208600000000, 0.0001733100000000 ] - [ 0.0000901500000000, -0.0003613900000000, 0.0006905000000000 ] - [ 0.0001531100000000, 0.0002553900000000, 0.0003570300000000 ] - [ 0.0005821500000000, 0.0000105500000000, 0.0002331800000000 ] - [ -0.0008172200000000, -0.0001456200000000, 0.0001453800000000 ] - [ 0.0010235900000000, 0.0017088500000000, 0.0003152000000000 ] - [ -0.0000098100000000, -0.0003024400000000, 0.0001496100000000 ] - [ 0.0000315900000000, -0.0009098300000000, -0.0037914600000000 ] - [ -0.0008725500000000, -0.0008796600000000, 0.0007689300000000 ] - [ -0.0012066200000000, 0.0017483900000000, -0.0012581200000000 ] - [ 0.0001897000000000, -0.0014194900000000, 0.0000793700000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0015239800000000, 0.0006037300000000, 0.0040795000000000 ] - [ -0.0000689100000000, -0.0004674200000000, 0.0005774000000000 ] - [ -0.0000473800000000, 0.0015177300000000, -0.0000976400000000 ] - [ 0.0008898400000000, -0.0007346000000000, 0.0003578800000000 ] - [ 0.0015846100000000, 0.0000590200000000, 0.0001112500000000 ] - [ 0.0002940100000000, -0.0006993000000000, 0.0005533400000000 ] - [ 0.0001259500000000, -0.0001461800000000, 0.0003085300000000 ] - [ 0.0024135500000000, 0.0037446600000000, 0.0083249000000000 ] - [ -0.0007818800000000, 0.0006750600000000, 0.0012499400000000 ] - [ -0.0001989000000000, -0.0002984600000000, 0.0010097700000000 ] - [ 0.0001249800000000, -0.0003913900000000, 0.0054709400000000 ] - [ 0.0004626800000000, 0.0002862500000000, 0.0003282100000000 ] - [ -0.0011966600000000, -0.0007031800000000, 0.0010675600000000 ] - [ -0.0003519300000000, 0.0000114700000000, 0.0005078400000000 ] - [ 0.0003563400000000, 0.0000512500000000, 0.0001968700000000 ] - [ -0.0003916100000000, 0.0001489700000000, 0.0055012300000000 ] - [ 0.0001428600000000, -0.0001215400000000, 0.0002786300000000 ] - [ -0.0007305300000000, -0.0006893200000000, 0.0064845400000000 ] - [ -0.0006606400000000, 0.0003024000000000, 0.0001920800000000 ] - [ -0.0002911800000000, -0.0013494500000000, 0.0008641400000000 ] - [ 0.0003633100000000, 0.0001128800000000, -0.0002760900000000 ] - [ 0.0002220800000000, 0.0008291500000000, -0.0006069300000000 ] - [ -0.0013020100000000, -0.0008081300000000, -0.0024132400000000 ] - [ 0.0000604000000000, 0.0001220300000000, -0.0002978500000000 ] - [ -0.0000598300000000, 0.0000648200000000, -0.0001561500000000 ] - [ -0.0004177500000000, 0.0007579900000000, -0.0019423500000000 ] - [ 0.0003180700000000, -0.0001703400000000, -0.0006075000000000 ] - [ 0.0002710400000000, 0.0003168200000000, -0.0007901900000000 ] - [ 0.0001011200000000, 0.0001021000000000, -0.0000560100000000 ] - [ 0.0001458100000000, -0.0004004700000000, -0.0018164600000000 ] - [ 0.0003187100000000, -0.0001647900000000, -0.0007533000000000 ] - [ 0.0004275700000000, 0.0002756800000000, -0.0011011100000000 ] - [ 0.0000239300000000, 0.0003776400000000, -0.0019391600000000 ] - [ 0.0000749600000000, 0.0001814200000000, -0.0002768400000000 ] - [ -0.0001970000000000, -0.0001475800000000, -0.0003863400000000 ] - [ -0.0005718400000000, 0.0006500200000000, -0.0008887800000000 ] - [ -0.0004183400000000, 0.0002453400000000, -0.0003272300000000 ] - [ -0.0000787700000000, -0.0002733100000000, -0.0000363900000000 ] - [ 0.0001363800000000, -0.0002760800000000, -0.0015022500000000 ] - [ 0.0003275000000000, 0.0006812400000000, -0.0006920900000000 ] - [ -0.0158964200000000, -0.0088159800000000, 0.0221131700000000 ] - [ 0.0002107600000000, -0.0003687800000000, 0.0007094200000000 ] - [ 0.0009092500000000, 0.0015363700000000, 0.0019975100000000 ] - [ 0.0047450600000000, -0.0022235100000000, 0.0029101000000000 ] - [ -0.0012386400000000, 0.0002740200000000, -0.0016425900000000 ] - [ -0.0010420100000000, 0.0011997400000000, -0.0022398900000000 ] - [ 0.0001424200000000, 0.0010249400000000, -0.0008500300000000 ] - [ -0.0004170100000000, 0.0002868900000000, -0.0052025700000000 ] - [ -0.0051302200000000, 0.0029806500000000, 0.0062669400000000 ] - [ -0.0004955500000000, -0.0003577100000000, -0.0001315000000000 ] - [ 0.0025562900000000, -0.0064066400000000, 0.0042873800000000 ] - [ 0.0001532800000000, 0.0006929400000000, -0.0004191100000000 ] - [ 0.0217265400000000, 0.0146622700000000, -0.0574436300000000 ] - [ -0.0007411800000000, -0.0003060000000000, -0.0003944800000000 ] - [ -0.0052195700000000, -0.0071856100000000, -0.0081742000000000 ] - [ 0.0003065000000000, -0.0003151300000000, -0.0018274700000000 ] - [ -0.0002385700000000, 0.0009394600000000, -0.0023557000000000 ] - [ -0.0010029000000000, -0.0004604300000000, -0.0022215500000000 ] - [ 0.0011472800000000, -0.0013249300000000, -0.0016336000000000 ] - [ -0.0014796900000000, -0.0003687800000000, -0.0017845200000000 ] - [ -0.0012614800000000, 0.0012042200000000, 0.0001206800000000 ] - [ -0.0005086300000000, -0.0056422800000000, 0.0012845500000000 ] - [ -0.0005734700000000, 0.0000606400000000, 0.0005891900000000 ] - [ -0.0063905700000000, 0.0016357300000000, 0.0024633800000000 ] - [ 0.0044938900000000, -0.0008987300000000, 0.0025038400000000 ] - [ 0.0005569000000000, -0.0006166000000000, -0.0009800900000000 ] - [ 0.0012718900000000, 0.0034570500000000, 0.0028990300000000 ] - [ 0.0001468500000000, -0.0007625300000000, -0.0001084700000000 ] - [ 0.0002101600000000, 0.0005936100000000, 0.0016755500000000 ] - [ -0.0002795200000000, 0.0003168500000000, 0.0014068300000000 ] - [ 0.0006021200000000, -0.0006490100000000, 0.0014688800000000 ] - [ -0.0007617100000000, -0.0002798900000000, 0.0012130400000000 ] - [ 0.0002320000000000, 0.0002215000000000, 0.0013558200000000 ] - [ 0.0003318400000000, 0.0005618200000000, 0.0015112800000000 ] - [ -0.0003998100000000, -0.0001733000000000, 0.0032398300000000 ] - [ 0.0002015800000000, -0.0000064900000000, 0.0004161800000000 ] - [ 0.0007804200000000, 0.0014339200000000, 0.0025793600000000 ] - [ -0.0008363800000000, -0.0008748000000000, 0.0006425400000000 ] - [ 0.0027726800000000, 0.0010856500000000, 0.0031550100000000 ] - [ 0.0005190600000000, -0.0004072300000000, 0.0000992300000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0016566900000000, -0.0012866400000000, -0.0037364000000000 ] - [ -0.0001612300000000, -0.0002912700000000, -0.0001232200000000 ] - [ -0.0002414600000000, -0.0014567200000000, -0.0002783800000000 ] - [ -0.0005990000000000, 0.0007968900000000, -0.0007336500000000 ] - [ -0.0017670500000000, -0.0002904300000000, -0.0002021700000000 ] - [ -0.0001124200000000, 0.0004671500000000, -0.0006491900000000 ] - [ -0.0001842500000000, -0.0002209500000000, -0.0002986000000000 ] - [ -0.0025001300000000, -0.0043530300000000, -0.0084660900000000 ] - [ 0.0006122300000000, -0.0007508900000000, -0.0007594800000000 ] - [ 0.0003664400000000, 0.0002189300000000, -0.0005190800000000 ] - [ 0.0001665000000000, 0.0002161300000000, -0.0059045100000000 ] - [ -0.0006370500000000, -0.0003639700000000, -0.0008205900000000 ] - [ 0.0011396900000000, 0.0003335100000000, -0.0010750400000000 ] - [ 0.0004113300000000, -0.0003792800000000, -0.0005170100000000 ] - [ -0.0001781500000000, -0.0002795300000000, -0.0001027000000000 ] - [ 0.0001103800000000, -0.0001570300000000, -0.0052442300000000 ] - [ -0.0004326000000000, 0.0001826500000000, 0.0000999800000000 ] - [ 0.0007982400000000, 0.0005454200000000, -0.0058619300000000 ] - [ 0.0004309900000000, -0.0010628200000000, -0.0006480300000000 ] - [ 0.0005188500000000, 0.0005891300000000, -0.0013192700000000 ] - [ -0.0001296000000000, 0.0006461300000000, 0.0007339800000000 ] - [ -0.0004524600000000, -0.0000702500000000, 0.0010650800000000 ] - [ 0.0010011500000000, 0.0007397900000000, 0.0020232900000000 ] - [ 0.0002291300000000, -0.0001812600000000, -0.0000767600000000 ] - [ -0.0001200500000000, 0.0001649000000000, 0.0000658700000000 ] - [ 0.0005928500000000, -0.0005176300000000, 0.0018453100000000 ] - [ -0.0003772900000000, 0.0005403700000000, 0.0006204200000000 ] - [ -0.0002128900000000, 0.0000530600000000, 0.0008037500000000 ] - [ 0.0000729200000000, -0.0000227100000000, 0.0005515000000000 ] - [ -0.0003104100000000, 0.0004723500000000, 0.0023013900000000 ] - [ -0.0001487400000000, 0.0002468900000000, 0.0002594500000000 ] - [ -0.0005990100000000, -0.0001933200000000, 0.0006071600000000 ] - [ -0.0000827700000000, -0.0000149400000000, 0.0019276500000000 ] - [ -0.0000177700000000, 0.0001861200000000, 0.0002633700000000 ] - [ 0.0003776200000000, 0.0003782300000000, 0.0004771800000000 ] - [ 0.0003919500000000, -0.0004192000000000, 0.0009780500000000 ] - [ 0.0001290900000000, -0.0003067700000000, 0.0007026700000000 ] - [ 0.0003694800000000, 0.0002128100000000, 0.0004111800000000 ] - [ -0.0003726100000000, 0.0010371700000000, 0.0010476500000000 ] - [ -0.0000973500000000, 0.0000771600000000, 0.0002346200000000 ] - [ 0.0166813200000000, 0.0074625500000000, -0.0221398400000000 ] - [ -0.0004493900000000, -0.0013074000000000, -0.0005425900000000 ] - [ -0.0011402600000000, -0.0032323500000000, -0.0021618200000000 ] - [ -0.0045282800000000, 0.0005390600000000, -0.0030734100000000 ] - [ 0.0014698200000000, 0.0013976400000000, 0.0018156100000000 ] - [ 0.0008025000000000, 0.0004750100000000, 0.0024111200000000 ] - [ 0.0000926900000000, 0.0006574200000000, 0.0006781600000000 ] - [ 0.0001949700000000, 0.0014037600000000, 0.0050395500000000 ] - [ 0.0050971400000000, -0.0025815200000000, -0.0066051900000000 ] - [ 0.0005282700000000, 0.0007365500000000, -0.0002189800000000 ] - [ -0.0028572000000000, 0.0069997400000000, -0.0046571200000000 ] - [ 0.0001608800000000, -0.0001201300000000, 0.0000412300000000 ] - [ -0.0217141400000000, -0.0151422600000000, 0.0574426700000000 ] - [ 0.0006310000000000, -0.0000196000000000, 0.0004377900000000 ] - [ 0.0057617000000000, 0.0071985500000000, 0.0080558200000000 ] - [ -0.0008467800000000, 0.0003101300000000, 0.0016914800000000 ] - [ 0.0007912300000000, -0.0009657800000000, 0.0024884900000000 ] - [ 0.0004838000000000, 0.0004712700000000, 0.0023547100000000 ] - [ -0.0012631500000000, 0.0010021400000000, 0.0015929900000000 ] - [ 0.0015969100000000, 0.0000422800000000, 0.0017430700000000 ] - [ 0.0009490400000000, -0.0006292400000000, 0.0002578300000000 ] - [ 0.0008260800000000, 0.0062021500000000, -0.0009149400000000 ] - [ 0.0006036700000000, 0.0003177200000000, -0.0002399000000000 ] - [ 0.0063317800000000, -0.0012548300000000, -0.0021140500000000 ] - [ -0.0044497400000000, 0.0005158800000000, -0.0028617800000000 ] - [ -0.0005834600000000, 0.0002432600000000, 0.0006230900000000 ] - [ -0.0015882400000000, -0.0040143900000000, -0.0032777700000000 ] - [ 0.0001708600000000, 0.0001851300000000, -0.0002776400000000 ] - [ -0.0003237100000000, -0.0002655000000000, -0.0016305000000000 ] - [ 0.0003915400000000, 0.0000100300000000, -0.0013640200000000 ] - [ -0.0000697600000000, 0.0006641400000000, -0.0016036600000000 ] - [ 0.0002336900000000, 0.0002938100000000, -0.0013490500000000 ] - [ 0.0002953600000000, -0.0002035700000000, -0.0012174900000000 ] - [ -0.0008650000000000, -0.0005508700000000, -0.0013762900000000 ] - [ 0.0002869900000000, 0.0004974900000000, -0.0032742900000000 ] - [ -0.0000876400000000, 0.0003328900000000, -0.0004591800000000 ] - [ -0.0004630900000000, -0.0020244400000000, -0.0021986400000000 ] - [ 0.0005203400000000, 0.0003011500000000, -0.0002581000000000 ] - [ -0.0027648600000000, -0.0014649900000000, -0.0027997800000000 ] - [ -0.0005481500000000, 0.0000309600000000, 0.0002591900000000 ]- atom: 55 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0021064200000000, -0.0003110800000000, 0.0002367600000000 ] - [ -0.0007410200000000, -0.0006269700000000, 0.0005178800000000 ] - [ 0.0052075400000000, 0.0009977600000000, -0.0003447200000000 ] - [ 0.0013629300000000, 0.0001292000000000, 0.0007653000000000 ] - [ 0.0049561400000000, 0.0007274400000000, 0.0010867600000000 ] - [ 0.0006595000000000, -0.0001759400000000, -0.0002679000000000 ] - [ -0.0024364500000000, -0.0007237800000000, 0.0007984800000000 ] - [ -0.0008453000000000, -0.0010660900000000, -0.0003565100000000 ] - [ -0.0020339400000000, 0.0008618500000000, 0.0003644400000000 ] - [ -0.0007074200000000, 0.0001777000000000, 0.0006785600000000 ] - [ 0.0010632600000000, -0.0009992600000000, 0.0006356800000000 ] - [ 0.0046671400000000, -0.0004783700000000, -0.0004741200000000 ] - [ 0.0101447100000000, -0.0045238800000000, -0.0048739000000000 ] - [ 0.0005340600000000, 0.0004305600000000, -0.0003405600000000 ] - [ -0.0003912600000000, -0.0003368500000000, -0.0002980200000000 ] - [ -0.0023628000000000, -0.0000162000000000, 0.0013221900000000 ] - [ -0.0014026200000000, -0.0003788800000000, -0.0000885600000000 ] - [ -0.0006906200000000, -0.0003522100000000, 0.0008104100000000 ] - [ 0.0005989400000000, -0.0003183400000000, -0.0000153700000000 ] - [ 0.0059550900000000, -0.0006813800000000, 0.0006215700000000 ] - [ -0.0004154200000000, 0.0003999100000000, 0.0002263700000000 ] - [ -0.0003322300000000, 0.0005132000000000, 0.0000649900000000 ] - [ 0.0005002000000000, -0.0000990900000000, -0.0001064100000000 ] - [ 0.0003186000000000, -0.0002356100000000, -0.0003724400000000 ] - [ 0.0003090500000000, -0.0002178800000000, -0.0010978900000000 ] - [ 0.0003668100000000, 0.0000219600000000, -0.0000524100000000 ] - [ -0.0004215300000000, 0.0005123200000000, -0.0005147000000000 ] - [ -0.0001148300000000, 0.0001445700000000, 0.0000173400000000 ] - [ -0.0001585600000000, -0.0001105000000000, 0.0002078500000000 ] - [ -0.0006051400000000, -0.0000365800000000, 0.0001838300000000 ] - [ 0.0004369800000000, -0.0000302800000000, -0.0002676400000000 ] - [ 0.0007519600000000, 0.0007949600000000, -0.0001421200000000 ] - [ 0.0004175200000000, 0.0003394700000000, -0.0015994000000000 ] - [ 0.0001435100000000, -0.0000242100000000, 0.0001213900000000 ] - [ -0.0001028300000000, -0.0000064700000000, 0.0001160700000000 ] - [ -0.0009144800000000, 0.0007521200000000, -0.0007534800000000 ] - [ -0.0006854000000000, 0.0003110900000000, 0.0002754600000000 ] - [ -0.0001641200000000, -0.0000786100000000, 0.0000908500000000 ] - [ -0.0000644000000000, -0.0004367700000000, -0.0008700400000000 ] - [ 0.0007344400000000, 0.0002621900000000, 0.0007293500000000 ] - [ 0.0284877700000000, 0.0218417600000000, 0.0109641100000000 ] - [ 0.0018800800000000, -0.0050773300000000, 0.0017997600000000 ] - [ -0.0024449800000000, -0.0003992600000000, 0.0009672100000000 ] - [ -0.0071289700000000, 0.0006712200000000, -0.0009504000000000 ] - [ 0.0020917700000000, 0.0018515400000000, 0.0000713200000000 ] - [ 0.0005447300000000, 0.0009966900000000, -0.0010757800000000 ] - [ -0.0018572500000000, 0.0000230900000000, 0.0005125200000000 ] - [ -0.0013303800000000, 0.0002231600000000, -0.0009536400000000 ] - [ -0.0109716500000000, 0.0014091400000000, 0.0062213900000000 ] - [ -0.0018223200000000, 0.0007074900000000, -0.0011023000000000 ] - [ 0.0061469700000000, -0.0039280800000000, 0.0067879800000000 ] - [ 0.0004745100000000, 0.0008860600000000, -0.0011437100000000 ] - [ 0.0076293600000000, 0.0047076800000000, -0.0054664100000000 ] - [ 0.0017349000000000, 0.0038259400000000, -0.0005491400000000 ] - [ -0.0633721500000000, -0.0140497600000000, -0.0170442200000000 ] - [ -0.0022367700000000, 0.0011325300000000, 0.0001145200000000 ] - [ 0.0037919600000000, 0.0004492700000000, -0.0009730600000000 ] - [ 0.0014654100000000, 0.0001380900000000, 0.0002082100000000 ] - [ 0.0016140600000000, -0.0041543900000000, -0.0007693300000000 ] - [ 0.0040472400000000, -0.0049319500000000, 0.0004911900000000 ] - [ 0.0045780000000000, -0.0012765400000000, 0.0037421400000000 ] - [ 0.0000514500000000, 0.0006729500000000, -0.0002983800000000 ] - [ 0.0012894500000000, 0.0007540000000000, -0.0001864400000000 ] - [ 0.0021996500000000, -0.0006930700000000, 0.0008993600000000 ] - [ -0.0016672100000000, -0.0009566300000000, 0.0003777300000000 ] - [ -0.0028188300000000, 0.0004780700000000, 0.0015020900000000 ] - [ -0.0000381100000000, -0.0012432100000000, -0.0027337900000000 ] - [ 0.0000159500000000, -0.0001212200000000, 0.0004554400000000 ] - [ -0.0002821700000000, -0.0002523800000000, 0.0005216700000000 ] - [ 0.0000362100000000, -0.0000112600000000, 0.0003600800000000 ] - [ -0.0007874000000000, -0.0003778000000000, 0.0005766000000000 ] - [ -0.0007831900000000, 0.0002546100000000, 0.0003073700000000 ] - [ 0.0017174600000000, -0.0004927200000000, 0.0002573500000000 ] - [ 0.0003701300000000, 0.0003596500000000, 0.0003454100000000 ] - [ 0.0002061900000000, 0.0007169300000000, 0.0005713200000000 ] - [ -0.0000816900000000, 0.0004844600000000, 0.0000049600000000 ] - [ 0.0004472600000000, 0.0001930800000000, 0.0009056600000000 ] - [ 0.0021906700000000, 0.0002478600000000, -0.0036068700000000 ] - [ 0.0014990600000000, 0.0000679000000000, 0.0003118700000000 ] - [ 0.0016812700000000, -0.0002386600000000, 0.0005408500000000 ]- atom: 55 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0023391700000000, -0.0004476900000000, 0.0002233700000000 ] - [ 0.0005112400000000, -0.0001333100000000, -0.0000591300000000 ] - [ -0.0055510900000000, -0.0008669900000000, -0.0000958500000000 ] - [ -0.0010727400000000, -0.0000645300000000, -0.0011391700000000 ] - [ -0.0048594900000000, -0.0011109400000000, -0.0014060400000000 ] - [ -0.0004824300000000, -0.0000509000000000, 0.0001777900000000 ] - [ 0.0023633900000000, 0.0003500700000000, -0.0007763900000000 ] - [ 0.0009039900000000, 0.0007039600000000, 0.0003705400000000 ] - [ 0.0018683000000000, -0.0009484700000000, 0.0001341000000000 ] - [ 0.0008799000000000, -0.0002563700000000, -0.0001834000000000 ] - [ -0.0008940200000000, 0.0009212900000000, -0.0011346200000000 ] - [ -0.0046572400000000, 0.0005813400000000, 0.0001326800000000 ] - [ -0.0104391700000000, 0.0044071600000000, 0.0051509500000000 ] - [ -0.0004720700000000, -0.0007999900000000, 0.0003256400000000 ] - [ 0.0005695900000000, 0.0001070500000000, 0.0003872400000000 ] - [ 0.0021927800000000, -0.0002111000000000, -0.0012412800000000 ] - [ 0.0011095300000000, 0.0004381400000000, 0.0004596800000000 ] - [ 0.0009795200000000, 0.0004169800000000, -0.0004366000000000 ] - [ -0.0008311800000000, -0.0004368900000000, -0.0004428900000000 ] - [ -0.0056704300000000, -0.0001821400000000, -0.0009610500000000 ] - [ 0.0006444500000000, 0.0003600000000000, 0.0002321200000000 ] - [ 0.0001028600000000, 0.0002489200000000, 0.0003927800000000 ] - [ -0.0007936000000000, 0.0000339500000000, -0.0002613100000000 ] - [ -0.0000268300000000, 0.0001741000000000, -0.0000007800000000 ] - [ -0.0004818500000000, 0.0004466300000000, 0.0010095500000000 ] - [ -0.0001900900000000, 0.0002083700000000, -0.0000365800000000 ] - [ 0.0003630900000000, -0.0001434500000000, 0.0005282100000000 ] - [ 0.0001717400000000, 0.0002240100000000, -0.0000039900000000 ] - [ 0.0003338000000000, 0.0001872000000000, 0.0002880400000000 ] - [ 0.0004305500000000, 0.0001124700000000, 0.0003114300000000 ] - [ -0.0002675500000000, 0.0001114700000000, -0.0002253300000000 ] - [ -0.0009212500000000, -0.0007152000000000, -0.0003514000000000 ] - [ -0.0004763200000000, 0.0000234500000000, 0.0015880800000000 ] - [ -0.0000848600000000, 0.0003904500000000, -0.0001350000000000 ] - [ 0.0002814400000000, 0.0002383600000000, -0.0000249600000000 ] - [ 0.0007342400000000, -0.0005229700000000, 0.0008447000000000 ] - [ 0.0003952000000000, -0.0003738200000000, 0.0001002700000000 ] - [ 0.0004537900000000, 0.0000156800000000, 0.0002840500000000 ] - [ -0.0001667300000000, 0.0011986500000000, 0.0004153300000000 ] - [ -0.0005000700000000, 0.0004976600000000, -0.0011897700000000 ] - [ -0.0287044400000000, -0.0243108100000000, -0.0112341000000000 ] - [ -0.0020882800000000, 0.0033952000000000, -0.0016060900000000 ] - [ 0.0022143000000000, -0.0012915200000000, -0.0011559800000000 ] - [ 0.0073384400000000, -0.0023419500000000, 0.0007402200000000 ] - [ -0.0018804700000000, -0.0001674800000000, 0.0001299000000000 ] - [ -0.0007614400000000, 0.0006861300000000, 0.0012696400000000 ] - [ 0.0020858900000000, 0.0016638900000000, -0.0006926700000000 ] - [ 0.0011002500000000, 0.0014727200000000, 0.0007606300000000 ] - [ 0.0109920200000000, -0.0010222200000000, -0.0066044900000000 ] - [ 0.0018344600000000, -0.0003492600000000, 0.0007393400000000 ] - [ -0.0064780200000000, 0.0045161500000000, -0.0072175300000000 ] - [ -0.0001507800000000, -0.0003020700000000, 0.0007528400000000 ] - [ -0.0075322700000000, -0.0050537000000000, 0.0055137300000000 ] - [ -0.0018421100000000, -0.0041400900000000, 0.0006036700000000 ] - [ 0.0641018500000000, 0.0145837300000000, 0.0171485200000000 ] - [ 0.0016987000000000, -0.0011406600000000, -0.0002421500000000 ] - [ -0.0032516800000000, -0.0004549900000000, 0.0011069700000000 ] - [ -0.0020026500000000, -0.0001455300000000, -0.0000766200000000 ] - [ -0.0017068900000000, 0.0038297700000000, 0.0007180500000000 ] - [ -0.0039498000000000, 0.0045749900000000, -0.0005376000000000 ] - [ -0.0049069600000000, 0.0018628600000000, -0.0033202000000000 ] - [ 0.0002803500000000, -0.0000861100000000, 0.0006929500000000 ] - [ -0.0012668900000000, -0.0003803400000000, 0.0005508300000000 ] - [ -0.0022161200000000, 0.0010613600000000, -0.0005294900000000 ] - [ 0.0016826500000000, 0.0005991300000000, -0.0007544800000000 ] - [ 0.0028033500000000, -0.0008645700000000, -0.0018943300000000 ] - [ -0.0002793100000000, 0.0006587700000000, 0.0023483100000000 ] - [ 0.0003060900000000, -0.0004637800000000, -0.0008426200000000 ] - [ 0.0001708500000000, 0.0005805800000000, -0.0004731800000000 ] - [ 0.0000757900000000, 0.0003411900000000, -0.0003123000000000 ] - [ 0.0013241300000000, 0.0003855000000000, -0.0007096500000000 ] - [ 0.0002460700000000, -0.0002496200000000, -0.0004395900000000 ] - [ -0.0011784200000000, 0.0004990900000000, -0.0001277000000000 ] - [ -0.0009089800000000, -0.0003557200000000, -0.0002152300000000 ] - [ -0.0003091500000000, -0.0003858800000000, -0.0006241800000000 ] - [ 0.0001836200000000, -0.0001500500000000, -0.0000576200000000 ] - [ -0.0001162700000000, -0.0007850000000000, -0.0005138800000000 ] - [ -0.0025165300000000, -0.0008301200000000, 0.0039826300000000 ] - [ -0.0014802200000000, -0.0004409500000000, 0.0000512900000000 ] - [ -0.0017006800000000, -0.0001312500000000, -0.0001788100000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0016185400000000, 0.0000745300000000, -0.0000352600000000 ] - [ -0.0004696800000000, -0.0006856900000000, 0.0005618600000000 ] - [ 0.0025810600000000, 0.0029435300000000, 0.0030100800000000 ] - [ 0.0010643400000000, -0.0021098300000000, -0.0002680300000000 ] - [ -0.0011908000000000, 0.0062462600000000, 0.0013086000000000 ] - [ 0.0004605600000000, -0.0016754100000000, 0.0002812600000000 ] - [ -0.0011858300000000, 0.0003589300000000, 0.0003670200000000 ] - [ -0.0006386800000000, -0.0015328300000000, -0.0003029000000000 ] - [ 0.0004769200000000, 0.0011361000000000, 0.0011480400000000 ] - [ 0.0000908300000000, -0.0007872200000000, 0.0000610500000000 ] - [ 0.0002273900000000, -0.0022035100000000, 0.0006051000000000 ] - [ -0.0007129300000000, 0.0044591800000000, -0.0005785200000000 ] - [ -0.0024605400000000, 0.0071968300000000, 0.0025549900000000 ] - [ 0.0002322900000000, -0.0013379700000000, 0.0001320100000000 ] - [ -0.0000106400000000, -0.0007843500000000, -0.0002478100000000 ] - [ -0.0003983100000000, 0.0013475700000000, 0.0008712900000000 ] - [ -0.0007580100000000, 0.0005377800000000, -0.0000660000000000 ] - [ -0.0003898800000000, -0.0008835700000000, 0.0007561300000000 ] - [ 0.0002423600000000, -0.0025084700000000, -0.0008928800000000 ] - [ -0.0019129200000000, 0.0075123800000000, -0.0035317300000000 ] - [ 0.0002554300000000, 0.0005512700000000, 0.0000966000000000 ] - [ -0.0001016100000000, 0.0001707100000000, 0.0002204800000000 ] - [ -0.0002643100000000, 0.0007325900000000, 0.0001733200000000 ] - [ -0.0001517000000000, -0.0007998600000000, -0.0005405400000000 ] - [ -0.0005401100000000, 0.0007062500000000, -0.0007251000000000 ] - [ -0.0000163100000000, -0.0004415200000000, 0.0000036200000000 ] - [ -0.0000913300000000, 0.0004807500000000, 0.0000476300000000 ] - [ 0.0000573800000000, -0.0001053300000000, -0.0002100800000000 ] - [ 0.0000318000000000, -0.0002785500000000, 0.0001388500000000 ] - [ -0.0000885400000000, 0.0004312300000000, 0.0002238400000000 ] - [ 0.0004967000000000, -0.0005077200000000, 0.0000204200000000 ] - [ 0.0005646500000000, 0.0009995500000000, -0.0009504700000000 ] - [ -0.0000816100000000, 0.0010517600000000, -0.0017588800000000 ] - [ -0.0001686400000000, -0.0003300600000000, 0.0003815000000000 ] - [ 0.0000561300000000, -0.0003224600000000, 0.0001072400000000 ] - [ -0.0003893700000000, 0.0007749700000000, -0.0005480400000000 ] - [ -0.0001884000000000, 0.0003202800000000, 0.0000210900000000 ] - [ 0.0001654700000000, -0.0002704600000000, 0.0002647700000000 ] - [ -0.0002903300000000, -0.0008746300000000, -0.0009575800000000 ] - [ -0.0001607100000000, 0.0008697100000000, 0.0010239200000000 ] - [ 0.0189691500000000, 0.0381365300000000, 0.0156232900000000 ] - [ -0.0022853000000000, -0.0086605500000000, 0.0015589600000000 ] - [ 0.0019078800000000, -0.0033581600000000, -0.0015759100000000 ] - [ 0.0005614200000000, 0.0014256100000000, 0.0013130000000000 ] - [ 0.0020574200000000, 0.0021867600000000, -0.0029053000000000 ] - [ 0.0007948300000000, -0.0003479300000000, 0.0003966300000000 ] - [ -0.0008245100000000, 0.0012495200000000, 0.0000815200000000 ] - [ -0.0008115200000000, -0.0001125000000000, -0.0008315000000000 ] - [ -0.0068997900000000, 0.0035280800000000, 0.0086483500000000 ] - [ 0.0003582200000000, 0.0033807400000000, -0.0026917000000000 ] - [ 0.0050359400000000, -0.0123114300000000, 0.0047301700000000 ] - [ 0.0013372800000000, 0.0026446200000000, -0.0013915200000000 ] - [ 0.0083999900000000, 0.0051861000000000, -0.0071539900000000 ] - [ 0.0027103200000000, 0.0021885600000000, -0.0002865500000000 ] - [ -0.0136201000000000, -0.0674277500000000, -0.0267644000000000 ] - [ -0.0014033200000000, 0.0037037200000000, 0.0004019400000000 ] - [ 0.0007168400000000, -0.0016613300000000, -0.0000272500000000 ] - [ -0.0004091500000000, 0.0021732800000000, -0.0004998200000000 ] - [ -0.0066811600000000, 0.0044791600000000, 0.0004470200000000 ] - [ -0.0045782600000000, 0.0012719700000000, -0.0009740200000000 ] - [ 0.0013064700000000, -0.0025047100000000, 0.0001981700000000 ] - [ 0.0006243700000000, 0.0024136300000000, 0.0006272800000000 ] - [ -0.0003078700000000, -0.0000124800000000, 0.0009897600000000 ] - [ 0.0003803000000000, 0.0000380900000000, -0.0004703800000000 ] - [ -0.0007967900000000, 0.0014743900000000, -0.0027522800000000 ] - [ -0.0011561800000000, 0.0018502800000000, 0.0066196700000000 ] - [ -0.0012165200000000, -0.0021662300000000, 0.0002045900000000 ] - [ -0.0001880600000000, 0.0009641200000000, 0.0002342000000000 ] - [ -0.0005512500000000, -0.0000790100000000, 0.0003074100000000 ] - [ -0.0007361700000000, 0.0005308100000000, 0.0006760300000000 ] - [ 0.0006484900000000, -0.0019352200000000, 0.0010386200000000 ] - [ -0.0000140500000000, 0.0016774800000000, -0.0001829000000000 ] - [ 0.0007615300000000, -0.0007337500000000, 0.0001540500000000 ] - [ 0.0000902700000000, 0.0007538000000000, 0.0003528400000000 ] - [ 0.0005683000000000, 0.0003212700000000, 0.0005320000000000 ] - [ 0.0007297300000000, 0.0001586800000000, 0.0001891400000000 ] - [ 0.0001956300000000, 0.0012639700000000, 0.0003551900000000 ] - [ 0.0005974200000000, -0.0018274400000000, -0.0007188200000000 ] - [ 0.0004947600000000, 0.0003376600000000, 0.0008951500000000 ] - [ 0.0005098600000000, -0.0006630600000000, -0.0001155200000000 ]- atom: 55 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0018612500000000, -0.0008346900000000, 0.0004930100000000 ] - [ 0.0002376800000000, -0.0000697300000000, -0.0001034800000000 ] - [ -0.0029737100000000, -0.0027273500000000, -0.0035227000000000 ] - [ -0.0007798500000000, 0.0021747400000000, -0.0001029400000000 ] - [ 0.0010921700000000, -0.0065047600000000, -0.0014654400000000 ] - [ -0.0002775000000000, 0.0014446100000000, -0.0003679100000000 ] - [ 0.0011309300000000, -0.0007192600000000, -0.0003519600000000 ] - [ 0.0006981100000000, 0.0011719400000000, 0.0003187200000000 ] - [ -0.0006459300000000, -0.0012153100000000, -0.0006571200000000 ] - [ 0.0000801400000000, 0.0007046500000000, 0.0004318300000000 ] - [ -0.0000530400000000, 0.0021338400000000, -0.0011074900000000 ] - [ 0.0007180800000000, -0.0043835900000000, 0.0002238300000000 ] - [ 0.0022022700000000, -0.0074516900000000, -0.0023836400000000 ] - [ -0.0001771900000000, 0.0009700900000000, -0.0001488500000000 ] - [ 0.0001884800000000, 0.0005561700000000, 0.0003352300000000 ] - [ 0.0002114600000000, -0.0015831500000000, -0.0007830900000000 ] - [ 0.0004670400000000, -0.0004731100000000, 0.0004382400000000 ] - [ 0.0006828400000000, 0.0009449800000000, -0.0003831900000000 ] - [ -0.0004688100000000, 0.0017445200000000, 0.0004252200000000 ] - [ 0.0022975900000000, -0.0084412900000000, 0.0033154400000000 ] - [ -0.0000236500000000, 0.0002092000000000, 0.0003627100000000 ] - [ -0.0001303800000000, 0.0005871400000000, 0.0002379100000000 ] - [ -0.0000282700000000, -0.0007991500000000, -0.0005409300000000 ] - [ 0.0004438900000000, 0.0007425000000000, 0.0001669500000000 ] - [ 0.0003628600000000, -0.0004737400000000, 0.0006409600000000 ] - [ 0.0001957800000000, 0.0006718900000000, -0.0000917500000000 ] - [ 0.0000330800000000, -0.0001133700000000, -0.0000303700000000 ] - [ 0.0000005600000000, 0.0004750700000000, 0.0002242400000000 ] - [ 0.0001408200000000, 0.0003593300000000, 0.0003563900000000 ] - [ -0.0000829800000000, -0.0003539200000000, 0.0002722500000000 ] - [ -0.0003263500000000, 0.0005905900000000, -0.0005119500000000 ] - [ -0.0007355700000000, -0.0009212800000000, 0.0004544500000000 ] - [ 0.0000241600000000, -0.0006900900000000, 0.0017525800000000 ] - [ 0.0002250500000000, 0.0006976000000000, -0.0003938200000000 ] - [ 0.0001217400000000, 0.0005532700000000, -0.0000172200000000 ] - [ 0.0002112400000000, -0.0005435200000000, 0.0006388700000000 ] - [ -0.0001029700000000, -0.0003831600000000, 0.0003527000000000 ] - [ 0.0001268600000000, 0.0002101700000000, 0.0001102000000000 ] - [ 0.0000594400000000, 0.0016346400000000, 0.0005032300000000 ] - [ 0.0003906600000000, -0.0001064300000000, -0.0014823200000000 ] - [ -0.0196955900000000, -0.0406126800000000, -0.0161605900000000 ] - [ 0.0020362000000000, 0.0069599000000000, -0.0013672500000000 ] - [ -0.0021274500000000, 0.0016928000000000, 0.0013933600000000 ] - [ -0.0003205400000000, -0.0031058900000000, -0.0014907100000000 ] - [ -0.0018350100000000, -0.0005131400000000, 0.0030944200000000 ] - [ -0.0010155500000000, 0.0020100200000000, -0.0002118700000000 ] - [ 0.0010513000000000, 0.0004246900000000, -0.0002557200000000 ] - [ 0.0005904500000000, 0.0017782700000000, 0.0006577900000000 ] - [ 0.0068948600000000, -0.0031434200000000, -0.0090157100000000 ] - [ -0.0003173300000000, -0.0029952400000000, 0.0023411700000000 ] - [ -0.0053574300000000, 0.0129560200000000, -0.0051206600000000 ] - [ -0.0010254400000000, -0.0020760200000000, 0.0010133900000000 ] - [ -0.0082920100000000, -0.0055158200000000, 0.0072147100000000 ] - [ -0.0028309800000000, -0.0025111100000000, 0.0003267000000000 ] - [ 0.0150003500000000, 0.0679074700000000, 0.0269659500000000 ] - [ 0.0008896200000000, -0.0037340100000000, -0.0005484500000000 ] - [ -0.0002068100000000, 0.0016280500000000, 0.0001810800000000 ] - [ -0.0001101300000000, -0.0022060200000000, 0.0006495600000000 ] - [ 0.0065201400000000, -0.0047952400000000, -0.0004703600000000 ] - [ 0.0047299800000000, -0.0015727500000000, 0.0009451400000000 ] - [ -0.0016379000000000, 0.0030750500000000, 0.0001641600000000 ] - [ -0.0003187400000000, -0.0018541500000000, -0.0002517000000000 ] - [ 0.0003495700000000, 0.0003931900000000, -0.0006553400000000 ] - [ -0.0004242500000000, 0.0003472800000000, 0.0008055400000000 ] - [ 0.0008416300000000, -0.0018492500000000, 0.0024255900000000 ] - [ 0.0011145700000000, -0.0022475600000000, -0.0069428000000000 ] - [ 0.0009199700000000, 0.0015983600000000, -0.0005958000000000 ] - [ 0.0004931100000000, -0.0015250000000000, -0.0006079400000000 ] - [ 0.0004191300000000, 0.0004002600000000, -0.0002756300000000 ] - [ 0.0008739100000000, -0.0002195000000000, -0.0006512800000000 ] - [ -0.0001318700000000, 0.0019693100000000, -0.0011917800000000 ] - [ -0.0005015700000000, -0.0016451200000000, 0.0000308200000000 ] - [ -0.0002451300000000, 0.0007657400000000, -0.0000091700000000 ] - [ -0.0006090400000000, -0.0007224900000000, -0.0002064600000000 ] - [ -0.0007050300000000, -0.0000033700000000, -0.0005664400000000 ] - [ -0.0005949000000000, 0.0001550600000000, -0.0002231000000000 ] - [ 0.0001084800000000, -0.0018260300000000, 0.0000141500000000 ] - [ -0.0009134200000000, 0.0012615500000000, 0.0011037200000000 ] - [ -0.0004563700000000, -0.0007164800000000, -0.0005616200000000 ] - [ -0.0005587600000000, 0.0002789200000000, 0.0004443000000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0011941600000000, -0.0004147100000000, 0.0005460400000000 ] - [ -0.0001303500000000, -0.0004181800000000, 0.0004215000000000 ] - [ -0.0004336600000000, 0.0011865100000000, 0.0038472900000000 ] - [ 0.0010117300000000, -0.0007882900000000, 0.0005025700000000 ] - [ -0.0010006000000000, 0.0006435700000000, 0.0059696700000000 ] - [ -0.0001155500000000, -0.0002272000000000, 0.0003353100000000 ] - [ 0.0002548600000000, -0.0000108000000000, 0.0005891500000000 ] - [ -0.0004438600000000, -0.0008283800000000, -0.0000677800000000 ] - [ -0.0005988400000000, 0.0005828800000000, 0.0011159200000000 ] - [ -0.0000209900000000, -0.0000099600000000, 0.0005277000000000 ] - [ 0.0008808200000000, 0.0000472700000000, 0.0008100500000000 ] - [ -0.0006665700000000, -0.0005173500000000, 0.0047795700000000 ] - [ -0.0034345500000000, 0.0027406100000000, 0.0085197800000000 ] - [ -0.0001615200000000, 0.0003754900000000, 0.0004473500000000 ] - [ -0.0000426700000000, -0.0002198800000000, 0.0002199100000000 ] - [ 0.0010493800000000, 0.0009486900000000, 0.0008017900000000 ] - [ -0.0006938500000000, -0.0003238100000000, 0.0004572400000000 ] - [ -0.0001486100000000, -0.0002087200000000, 0.0006043200000000 ] - [ 0.0002331500000000, -0.0014179500000000, 0.0003192800000000 ] - [ 0.0014959400000000, -0.0020321600000000, 0.0066956400000000 ] - [ 0.0004844400000000, 0.0001335400000000, -0.0001234300000000 ] - [ -0.0002706700000000, 0.0004162300000000, 0.0000604000000000 ] - [ 0.0005809400000000, 0.0009897800000000, -0.0023381200000000 ] - [ -0.0002666300000000, -0.0004597500000000, -0.0006577500000000 ] - [ -0.0008006700000000, -0.0001354400000000, -0.0017516300000000 ] - [ 0.0004943400000000, 0.0001140600000000, -0.0003789600000000 ] - [ -0.0002763700000000, 0.0003907800000000, -0.0006039600000000 ] - [ 0.0001334600000000, -0.0000055100000000, -0.0001501100000000 ] - [ -0.0000601700000000, 0.0000134500000000, 0.0000081200000000 ] - [ 0.0001233200000000, 0.0004688400000000, -0.0002193200000000 ] - [ 0.0000040100000000, -0.0000683200000000, -0.0008463900000000 ] - [ 0.0005003800000000, 0.0000970400000000, -0.0017671500000000 ] - [ -0.0003478300000000, 0.0003001400000000, -0.0021812700000000 ] - [ 0.0001921100000000, 0.0002156800000000, -0.0004578400000000 ] - [ 0.0000722800000000, 0.0000394500000000, -0.0001716700000000 ] - [ -0.0004317100000000, 0.0006340800000000, -0.0009252800000000 ] - [ -0.0000760200000000, -0.0001790600000000, -0.0001102700000000 ] - [ 0.0001379900000000, -0.0000663200000000, 0.0000123200000000 ] - [ -0.0002786200000000, -0.0003488500000000, -0.0011913700000000 ] - [ 0.0005990100000000, 0.0011588800000000, -0.0022563900000000 ] - [ 0.0099259500000000, 0.0163174200000000, 0.0243740400000000 ] - [ 0.0012876000000000, -0.0001066000000000, 0.0024148800000000 ] - [ 0.0003881700000000, -0.0017034700000000, 0.0004213400000000 ] - [ -0.0029274300000000, 0.0007570200000000, 0.0017062500000000 ] - [ 0.0015011800000000, 0.0003086700000000, -0.0050934800000000 ] - [ -0.0011474800000000, 0.0012564100000000, -0.0022984000000000 ] - [ 0.0004986300000000, 0.0016081100000000, -0.0015792000000000 ] - [ -0.0006826600000000, 0.0003859400000000, -0.0012317500000000 ] - [ -0.0028756500000000, 0.0052097200000000, 0.0057271400000000 ] - [ -0.0006725500000000, -0.0023377700000000, 0.0002575600000000 ] - [ 0.0063261200000000, -0.0022992400000000, 0.0035055000000000 ] - [ -0.0001577500000000, 0.0004399100000000, -0.0003662600000000 ] - [ 0.0060976100000000, 0.0025913000000000, -0.0080953900000000 ] - [ 0.0000411800000000, 0.0007354400000000, -0.0017388400000000 ] - [ -0.0167228400000000, -0.0267134700000000, -0.0582062000000000 ] - [ -0.0004435900000000, 0.0004603000000000, -0.0013114200000000 ] - [ 0.0013044000000000, 0.0000882100000000, -0.0012704700000000 ] - [ -0.0001226000000000, 0.0005600800000000, -0.0003597700000000 ] - [ -0.0008468600000000, 0.0006654900000000, -0.0023099400000000 ] - [ 0.0003941400000000, -0.0010404200000000, -0.0024444800000000 ] - [ 0.0053207300000000, -0.0011052900000000, 0.0012952300000000 ] - [ -0.0003020100000000, 0.0008799600000000, -0.0001838700000000 ] - [ 0.0000804500000000, 0.0005978100000000, 0.0001278500000000 ] - [ 0.0007872000000000, -0.0004791100000000, 0.0002593900000000 ] - [ 0.0003952100000000, -0.0037609500000000, 0.0022688700000000 ] - [ -0.0011115100000000, 0.0041273200000000, 0.0050171600000000 ] - [ -0.0024741200000000, 0.0003028800000000, 0.0028324200000000 ] - [ 0.0005847500000000, -0.0002826900000000, -0.0001288600000000 ] - [ 0.0002893900000000, 0.0005898500000000, 0.0013012300000000 ] - [ -0.0009607400000000, 0.0009222300000000, 0.0015571800000000 ] - [ 0.0009074100000000, -0.0011014200000000, 0.0029409100000000 ] - [ -0.0006381900000000, 0.0001212600000000, 0.0013408400000000 ] - [ 0.0000720300000000, 0.0000945600000000, 0.0012293200000000 ] - [ 0.0000151800000000, 0.0002933600000000, 0.0005327800000000 ] - [ -0.0000600200000000, 0.0000848700000000, 0.0014260300000000 ] - [ 0.0008005700000000, -0.0000026900000000, 0.0012676800000000 ] - [ 0.0007571300000000, 0.0001881800000000, 0.0007283200000000 ] - [ -0.0026996700000000, -0.0011788700000000, 0.0021397000000000 ] - [ 0.0004879500000000, 0.0002700400000000, 0.0004488500000000 ] - [ 0.0002289900000000, -0.0005606800000000, 0.0001056700000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0014215500000000, -0.0003432600000000, -0.0000887400000000 ] - [ -0.0001002500000000, -0.0003406900000000, 0.0000344900000000 ] - [ 0.0000654900000000, -0.0010062900000000, -0.0043407500000000 ] - [ -0.0007236200000000, 0.0008446900000000, -0.0008801600000000 ] - [ 0.0009914300000000, -0.0009597600000000, -0.0061799400000000 ] - [ 0.0002974600000000, -0.0000027300000000, -0.0004253200000000 ] - [ -0.0003133200000000, -0.0003562800000000, -0.0005778800000000 ] - [ 0.0005017200000000, 0.0004619300000000, 0.0000796800000000 ] - [ 0.0004238300000000, -0.0006621600000000, -0.0006221100000000 ] - [ 0.0001914200000000, -0.0000707400000000, -0.0000336000000000 ] - [ -0.0007066900000000, -0.0001225000000000, -0.0013025300000000 ] - [ 0.0006105200000000, 0.0005523400000000, -0.0051885900000000 ] - [ 0.0031089700000000, -0.0028957600000000, -0.0083369000000000 ] - [ 0.0002203000000000, -0.0007461600000000, -0.0004555500000000 ] - [ 0.0002203000000000, -0.0000103300000000, -0.0001277100000000 ] - [ -0.0012270500000000, -0.0011775900000000, -0.0007063800000000 ] - [ 0.0004043700000000, 0.0003844700000000, -0.0000795400000000 ] - [ 0.0004357800000000, 0.0002692200000000, -0.0002256000000000 ] - [ -0.0004617600000000, 0.0006602400000000, -0.0007726400000000 ] - [ -0.0010726200000000, 0.0010032500000000, -0.0068822900000000 ] - [ -0.0002518400000000, 0.0006248900000000, 0.0005811900000000 ] - [ 0.0000382600000000, 0.0003419500000000, 0.0003982500000000 ] - [ -0.0008640800000000, -0.0010425400000000, 0.0019483100000000 ] - [ 0.0005544500000000, 0.0003986400000000, 0.0002831600000000 ] - [ 0.0006133500000000, 0.0003617500000000, 0.0016554500000000 ] - [ -0.0003129500000000, 0.0001175300000000, 0.0002918800000000 ] - [ 0.0002130500000000, -0.0000214600000000, 0.0006183600000000 ] - [ -0.0000728400000000, 0.0003729800000000, 0.0001640800000000 ] - [ 0.0002314700000000, 0.0000630800000000, 0.0004882400000000 ] - [ -0.0002925800000000, -0.0003912000000000, 0.0007150500000000 ] - [ 0.0001666800000000, 0.0001470200000000, 0.0003507400000000 ] - [ -0.0006729800000000, -0.0000134000000000, 0.0012742800000000 ] - [ 0.0002935100000000, 0.0000701900000000, 0.0021694100000000 ] - [ -0.0001336300000000, 0.0001508300000000, 0.0004446300000000 ] - [ 0.0001055300000000, 0.0001914000000000, 0.0002608600000000 ] - [ 0.0002510100000000, -0.0004024000000000, 0.0010122900000000 ] - [ -0.0002149300000000, 0.0001176400000000, 0.0004847200000000 ] - [ 0.0001505700000000, 0.0000032100000000, 0.0003620100000000 ] - [ 0.0000479800000000, 0.0011053000000000, 0.0007323400000000 ] - [ -0.0003750500000000, -0.0004075100000000, 0.0018109800000000 ] - [ -0.0100015600000000, -0.0183736600000000, -0.0242557000000000 ] - [ -0.0015168500000000, -0.0015763900000000, -0.0022405400000000 ] - [ -0.0006186200000000, 0.0000254400000000, -0.0005965200000000 ] - [ 0.0031654800000000, -0.0024349100000000, -0.0018752100000000 ] - [ -0.0012600400000000, 0.0013626300000000, 0.0052642400000000 ] - [ 0.0009214900000000, 0.0004285300000000, 0.0024866900000000 ] - [ -0.0002775500000000, 0.0000734000000000, 0.0013934800000000 ] - [ 0.0004563800000000, 0.0012958300000000, 0.0010438700000000 ] - [ 0.0028196500000000, -0.0048599800000000, -0.0060627500000000 ] - [ 0.0007024800000000, 0.0027278900000000, -0.0006031200000000 ] - [ -0.0066563500000000, 0.0028494400000000, -0.0038652300000000 ] - [ 0.0004770400000000, 0.0001371600000000, -0.0000146000000000 ] - [ -0.0059817300000000, -0.0029050500000000, 0.0081349400000000 ] - [ -0.0001619900000000, -0.0010646700000000, 0.0017815600000000 ] - [ 0.0174635600000000, 0.0270162700000000, 0.0577429100000000 ] - [ -0.0000851700000000, -0.0004778800000000, 0.0011706800000000 ] - [ -0.0007776800000000, -0.0001078000000000, 0.0014119900000000 ] - [ -0.0004063300000000, -0.0005787300000000, 0.0005009100000000 ] - [ 0.0007417100000000, -0.0010062500000000, 0.0022666200000000 ] - [ -0.0002961500000000, 0.0007335900000000, 0.0024001100000000 ] - [ -0.0056193400000000, 0.0016780900000000, -0.0009196400000000 ] - [ 0.0006173100000000, -0.0003060500000000, 0.0005643000000000 ] - [ -0.0000457300000000, -0.0002154100000000, 0.0002160600000000 ] - [ -0.0008196500000000, 0.0008556900000000, 0.0000889600000000 ] - [ -0.0003604900000000, 0.0033667500000000, -0.0026165600000000 ] - [ 0.0010782000000000, -0.0044739600000000, -0.0053607200000000 ] - [ 0.0021370400000000, -0.0008733900000000, -0.0032101700000000 ] - [ -0.0002637700000000, -0.0002935100000000, -0.0002577200000000 ] - [ -0.0004078000000000, -0.0002673600000000, -0.0012584500000000 ] - [ 0.0010779300000000, -0.0005988300000000, -0.0015149000000000 ] - [ -0.0003800800000000, 0.0011195100000000, -0.0030770300000000 ] - [ 0.0001095000000000, -0.0001021200000000, -0.0014798000000000 ] - [ 0.0004567700000000, -0.0000778300000000, -0.0010888300000000 ] - [ -0.0005441700000000, -0.0002749400000000, -0.0003913000000000 ] - [ -0.0000642800000000, 0.0002334700000000, -0.0014609000000000 ] - [ -0.0006771000000000, 0.0003249200000000, -0.0013057100000000 ] - [ -0.0004393400000000, -0.0007649100000000, -0.0003409600000000 ] - [ 0.0023915400000000, 0.0006017000000000, -0.0017565400000000 ] - [ -0.0004574000000000, -0.0006487700000000, -0.0000953000000000 ] - [ -0.0002597500000000, 0.0001822900000000, 0.0002467100000000 ]