# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/43998b8a-e338-493f-8532-91983099ffd5/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 BaPt2S3 / P4_12_12 (92) / materials id 29289](https://mdr.nims.go.jp/datasets/f1f06552-a869-4101-9e2a-0af113c0e82b) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P4_12_12" number: 92 Hall_symbol: "P 4abw 2nw"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 6.757054620000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.757054620000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.281712640000000 ] # c points: - symbol: S # 1 coordinates: [ 0.253892130000000, 0.843952070000000, 0.494765250000000 ] mass: 32.065000 - symbol: S # 2 coordinates: [ 0.746107870000000, 0.156047930000000, 0.994765250000000 ] mass: 32.065000 - symbol: S # 3 coordinates: [ 0.843952070000000, 0.253892130000000, 0.505234750000000 ] mass: 32.065000 - symbol: S # 4 coordinates: [ 0.343952070000000, 0.246107870000000, 0.244765250000000 ] mass: 32.065000 - symbol: S # 5 coordinates: [ 0.656047930000000, 0.753892130000000, 0.744765250000000 ] mass: 32.065000 - symbol: S # 6 coordinates: [ 0.246107870000000, 0.343952070000000, 0.755234750000000 ] mass: 32.065000 - symbol: S # 7 coordinates: [ 0.753892130000000, 0.656047930000000, 0.255234750000000 ] mass: 32.065000 - symbol: S # 8 coordinates: [ 0.246118990000000, 0.246118990000000, 0.000000000000000 ] mass: 32.065000 - symbol: S # 9 coordinates: [ 0.753881010000000, 0.753881010000000, 0.500000000000000 ] mass: 32.065000 - symbol: S # 10 coordinates: [ 0.746118990000000, 0.253881010000000, 0.750000000000000 ] mass: 32.065000 - symbol: S # 11 coordinates: [ 0.253881010000000, 0.746118990000000, 0.250000000000000 ] mass: 32.065000 - symbol: S # 12 coordinates: [ 0.156047930000000, 0.746107870000000, 0.005234750000000 ] mass: 32.065000 - symbol: Ba # 13 coordinates: [ 0.672890860000000, 0.672890860000000, 0.000000000000000 ] mass: 137.327000 - symbol: Ba # 14 coordinates: [ 0.172890860000000, 0.827109140000000, 0.750000000000000 ] mass: 137.327000 - symbol: Ba # 15 coordinates: [ 0.827109140000000, 0.172890860000000, 0.250000000000000 ] mass: 137.327000 - symbol: Ba # 16 coordinates: [ 0.327109140000000, 0.327109140000000, 0.500000000000000 ] mass: 137.327000 - symbol: Pt # 17 coordinates: [ 0.749857000000000, 0.004226190000000, 0.624935430000000 ] mass: 195.084000 - symbol: Pt # 18 coordinates: [ 0.995773810000000, 0.250143000000000, 0.875064570000000 ] mass: 195.084000 - symbol: Pt # 19 coordinates: [ 0.004226190000000, 0.749857000000000, 0.375064570000000 ] mass: 195.084000 - symbol: Pt # 20 coordinates: [ 0.249857000000000, 0.495773810000000, 0.125064570000000 ] mass: 195.084000 - symbol: Pt # 21 coordinates: [ 0.750143000000000, 0.504226190000000, 0.625064570000000 ] mass: 195.084000 - symbol: Pt # 22 coordinates: [ 0.495773810000000, 0.249857000000000, 0.874935430000000 ] mass: 195.084000 - symbol: Pt # 23 coordinates: [ 0.504226190000000, 0.750143000000000, 0.374935430000000 ] mass: 195.084000 - symbol: Pt # 24 coordinates: [ 0.250143000000000, 0.995773810000000, 0.124935430000000 ] mass: 195.084000 reciprocal_lattice: # without 2pi - [ 0.147993475891127, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.147993475891127, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.081421869189735 ] # c*unit_cell: lattice: - [ 6.757054620000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.757054620000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.281712640000000 ] # c points: - symbol: S # 1 coordinates: [ 0.253892130000000, 0.843952070000000, 0.494765250000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 2 coordinates: [ 0.746107870000000, 0.156047930000000, 0.994765250000000 ] mass: 32.065000 reduced_to: 2 - symbol: S # 3 coordinates: [ 0.843952070000000, 0.253892130000000, 0.505234750000000 ] mass: 32.065000 reduced_to: 3 - symbol: S # 4 coordinates: [ 0.343952070000000, 0.246107870000000, 0.244765250000000 ] mass: 32.065000 reduced_to: 4 - symbol: S # 5 coordinates: [ 0.656047930000000, 0.753892130000000, 0.744765250000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 6 coordinates: [ 0.246107870000000, 0.343952070000000, 0.755234750000000 ] mass: 32.065000 reduced_to: 6 - symbol: S # 7 coordinates: [ 0.753892130000000, 0.656047930000000, 0.255234750000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 8 coordinates: [ 0.246118990000000, 0.246118990000000, 0.000000000000000 ] mass: 32.065000 reduced_to: 8 - symbol: S # 9 coordinates: [ 0.753881010000000, 0.753881010000000, 0.500000000000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 10 coordinates: [ 0.746118990000000, 0.253881010000000, 0.750000000000000 ] mass: 32.065000 reduced_to: 10 - symbol: S # 11 coordinates: [ 0.253881010000000, 0.746118990000000, 0.250000000000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 12 coordinates: [ 0.156047930000000, 0.746107870000000, 0.005234750000000 ] mass: 32.065000 reduced_to: 12 - symbol: Ba # 13 coordinates: [ 0.672890860000000, 0.672890860000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 13 - symbol: Ba # 14 coordinates: [ 0.172890860000000, 0.827109140000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 14 - symbol: Ba # 15 coordinates: [ 0.827109140000000, 0.172890860000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 15 - symbol: Ba # 16 coordinates: [ 0.327109140000000, 0.327109140000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 16 - symbol: Pt # 17 coordinates: [ 0.749857000000000, 0.004226190000000, 0.624935430000000 ] mass: 195.084000 reduced_to: 17 - symbol: Pt # 18 coordinates: [ 0.995773810000000, 0.250143000000000, 0.875064570000000 ] mass: 195.084000 reduced_to: 18 - symbol: Pt # 19 coordinates: [ 0.004226190000000, 0.749857000000000, 0.375064570000000 ] mass: 195.084000 reduced_to: 19 - symbol: Pt # 20 coordinates: [ 0.249857000000000, 0.495773810000000, 0.125064570000000 ] mass: 195.084000 reduced_to: 20 - symbol: Pt # 21 coordinates: [ 0.750143000000000, 0.504226190000000, 0.625064570000000 ] mass: 195.084000 reduced_to: 21 - symbol: Pt # 22 coordinates: [ 0.495773810000000, 0.249857000000000, 0.874935430000000 ] mass: 195.084000 reduced_to: 22 - symbol: Pt # 23 coordinates: [ 0.504226190000000, 0.750143000000000, 0.374935430000000 ] mass: 195.084000 reduced_to: 23 - symbol: Pt # 24 coordinates: [ 0.250143000000000, 0.995773810000000, 0.124935430000000 ] mass: 195.084000 reduced_to: 24supercell: lattice: - [ 13.514109240000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 13.514109240000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.281712640000000 ] # c points: - symbol: S # 1 coordinates: [ 0.126946065000000, 0.421976035000000, 0.494765250000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 2 coordinates: [ 0.626946065000000, 0.421976035000000, 0.494765250000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 3 coordinates: [ 0.126946065000000, 0.921976035000000, 0.494765250000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 4 coordinates: [ 0.626946065000000, 0.921976035000000, 0.494765250000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 5 coordinates: [ 0.373053935000000, 0.078023965000000, 0.994765250000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 6 coordinates: [ 0.873053935000000, 0.078023965000000, 0.994765250000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 7 coordinates: [ 0.373053935000000, 0.578023965000000, 0.994765250000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 8 coordinates: [ 0.873053935000000, 0.578023965000000, 0.994765250000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 9 coordinates: [ 0.421976035000000, 0.126946065000000, 0.505234750000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 10 coordinates: [ 0.921976035000000, 0.126946065000000, 0.505234750000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 11 coordinates: [ 0.421976035000000, 0.626946065000000, 0.505234750000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 12 coordinates: [ 0.921976035000000, 0.626946065000000, 0.505234750000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 13 coordinates: [ 0.171976035000000, 0.123053935000000, 0.244765250000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 14 coordinates: [ 0.671976035000000, 0.123053935000000, 0.244765250000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 15 coordinates: [ 0.171976035000000, 0.623053935000000, 0.244765250000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 16 coordinates: [ 0.671976035000000, 0.623053935000000, 0.244765250000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 17 coordinates: [ 0.328023965000000, 0.376946065000000, 0.744765250000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 18 coordinates: [ 0.828023965000000, 0.376946065000000, 0.744765250000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 19 coordinates: [ 0.328023965000000, 0.876946065000000, 0.744765250000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 20 coordinates: [ 0.828023965000000, 0.876946065000000, 0.744765250000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 21 coordinates: [ 0.123053935000000, 0.171976035000000, 0.755234750000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 22 coordinates: [ 0.623053935000000, 0.171976035000000, 0.755234750000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 23 coordinates: [ 0.123053935000000, 0.671976035000000, 0.755234750000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 24 coordinates: [ 0.623053935000000, 0.671976035000000, 0.755234750000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 25 coordinates: [ 0.376946065000000, 0.328023965000000, 0.255234750000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 26 coordinates: [ 0.876946065000000, 0.328023965000000, 0.255234750000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 27 coordinates: [ 0.376946065000000, 0.828023965000000, 0.255234750000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 28 coordinates: [ 0.876946065000000, 0.828023965000000, 0.255234750000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 29 coordinates: [ 0.123059495000000, 0.123059495000000, 0.000000000000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 30 coordinates: [ 0.623059495000000, 0.123059495000000, 0.000000000000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 31 coordinates: [ 0.123059495000000, 0.623059495000000, 0.000000000000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 32 coordinates: [ 0.623059495000000, 0.623059495000000, 0.000000000000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 33 coordinates: [ 0.376940505000000, 0.376940505000000, 0.500000000000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 34 coordinates: [ 0.876940505000000, 0.376940505000000, 0.500000000000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 35 coordinates: [ 0.376940505000000, 0.876940505000000, 0.500000000000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 36 coordinates: [ 0.876940505000000, 0.876940505000000, 0.500000000000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 37 coordinates: [ 0.373059495000000, 0.126940505000000, 0.750000000000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 38 coordinates: [ 0.873059495000000, 0.126940505000000, 0.750000000000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 39 coordinates: [ 0.373059495000000, 0.626940505000000, 0.750000000000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 40 coordinates: [ 0.873059495000000, 0.626940505000000, 0.750000000000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 41 coordinates: [ 0.126940505000000, 0.373059495000000, 0.250000000000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 42 coordinates: [ 0.626940505000000, 0.373059495000000, 0.250000000000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 43 coordinates: [ 0.126940505000000, 0.873059495000000, 0.250000000000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 44 coordinates: [ 0.626940505000000, 0.873059495000000, 0.250000000000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 45 coordinates: [ 0.078023965000000, 0.373053935000000, 0.005234750000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 46 coordinates: [ 0.578023965000000, 0.373053935000000, 0.005234750000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 47 coordinates: [ 0.078023965000000, 0.873053935000000, 0.005234750000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 48 coordinates: [ 0.578023965000000, 0.873053935000000, 0.005234750000000 ] mass: 32.065000 reduced_to: 45 - symbol: Ba # 49 coordinates: [ 0.336445430000000, 0.336445430000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 49 - symbol: Ba # 50 coordinates: [ 0.836445430000000, 0.336445430000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 49 - symbol: Ba # 51 coordinates: [ 0.336445430000000, 0.836445430000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 49 - symbol: Ba # 52 coordinates: [ 0.836445430000000, 0.836445430000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 49 - symbol: Ba # 53 coordinates: [ 0.086445430000000, 0.413554570000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 53 - symbol: Ba # 54 coordinates: [ 0.586445430000000, 0.413554570000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 53 - symbol: Ba # 55 coordinates: [ 0.086445430000000, 0.913554570000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 53 - symbol: Ba # 56 coordinates: [ 0.586445430000000, 0.913554570000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 53 - symbol: Ba # 57 coordinates: [ 0.413554570000000, 0.086445430000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 57 - symbol: Ba # 58 coordinates: [ 0.913554570000000, 0.086445430000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 57 - symbol: Ba # 59 coordinates: [ 0.413554570000000, 0.586445430000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 57 - symbol: Ba # 60 coordinates: [ 0.913554570000000, 0.586445430000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 57 - symbol: Ba # 61 coordinates: [ 0.163554570000000, 0.163554570000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 61 - symbol: Ba # 62 coordinates: [ 0.663554570000000, 0.163554570000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 61 - symbol: Ba # 63 coordinates: [ 0.163554570000000, 0.663554570000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 61 - symbol: Ba # 64 coordinates: [ 0.663554570000000, 0.663554570000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 61 - symbol: Pt # 65 coordinates: [ 0.374928500000000, 0.002113095000000, 0.624935430000000 ] mass: 195.084000 reduced_to: 65 - symbol: Pt # 66 coordinates: [ 0.874928500000000, 0.002113095000000, 0.624935430000000 ] mass: 195.084000 reduced_to: 65 - symbol: Pt # 67 coordinates: [ 0.374928500000000, 0.502113095000000, 0.624935430000000 ] mass: 195.084000 reduced_to: 65 - symbol: Pt # 68 coordinates: [ 0.874928500000000, 0.502113095000000, 0.624935430000000 ] mass: 195.084000 reduced_to: 65 - symbol: Pt # 69 coordinates: [ 0.497886905000000, 0.125071500000000, 0.875064570000000 ] mass: 195.084000 reduced_to: 69 - symbol: Pt # 70 coordinates: [ 0.997886905000000, 0.125071500000000, 0.875064570000000 ] mass: 195.084000 reduced_to: 69 - symbol: Pt # 71 coordinates: [ 0.497886905000000, 0.625071500000000, 0.875064570000000 ] mass: 195.084000 reduced_to: 69 - symbol: Pt # 72 coordinates: [ 0.997886905000000, 0.625071500000000, 0.875064570000000 ] mass: 195.084000 reduced_to: 69 - symbol: Pt # 73 coordinates: [ 0.002113095000000, 0.374928500000000, 0.375064570000000 ] mass: 195.084000 reduced_to: 73 - symbol: Pt # 74 coordinates: [ 0.502113095000000, 0.374928500000000, 0.375064570000000 ] mass: 195.084000 reduced_to: 73 - symbol: Pt # 75 coordinates: [ 0.002113095000000, 0.874928500000000, 0.375064570000000 ] mass: 195.084000 reduced_to: 73 - symbol: Pt # 76 coordinates: [ 0.502113095000000, 0.874928500000000, 0.375064570000000 ] mass: 195.084000 reduced_to: 73 - symbol: Pt # 77 coordinates: [ 0.124928500000000, 0.247886905000000, 0.125064570000000 ] mass: 195.084000 reduced_to: 77 - symbol: Pt # 78 coordinates: [ 0.624928500000000, 0.247886905000000, 0.125064570000000 ] mass: 195.084000 reduced_to: 77 - symbol: Pt # 79 coordinates: [ 0.124928500000000, 0.747886905000000, 0.125064570000000 ] mass: 195.084000 reduced_to: 77 - symbol: Pt # 80 coordinates: [ 0.624928500000000, 0.747886905000000, 0.125064570000000 ] mass: 195.084000 reduced_to: 77 - symbol: Pt # 81 coordinates: [ 0.375071500000000, 0.252113095000000, 0.625064570000000 ] mass: 195.084000 reduced_to: 81 - symbol: Pt # 82 coordinates: [ 0.875071500000000, 0.252113095000000, 0.625064570000000 ] mass: 195.084000 reduced_to: 81 - symbol: Pt # 83 coordinates: [ 0.375071500000000, 0.752113095000000, 0.625064570000000 ] mass: 195.084000 reduced_to: 81 - symbol: Pt # 84 coordinates: [ 0.875071500000000, 0.752113095000000, 0.625064570000000 ] mass: 195.084000 reduced_to: 81 - symbol: Pt # 85 coordinates: [ 0.247886905000000, 0.124928500000000, 0.874935430000000 ] mass: 195.084000 reduced_to: 85 - symbol: Pt # 86 coordinates: [ 0.747886905000000, 0.124928500000000, 0.874935430000000 ] mass: 195.084000 reduced_to: 85 - symbol: Pt # 87 coordinates: [ 0.247886905000000, 0.624928500000000, 0.874935430000000 ] mass: 195.084000 reduced_to: 85 - symbol: Pt # 88 coordinates: [ 0.747886905000000, 0.624928500000000, 0.874935430000000 ] mass: 195.084000 reduced_to: 85 - symbol: Pt # 89 coordinates: [ 0.252113095000000, 0.375071500000000, 0.374935430000000 ] mass: 195.084000 reduced_to: 89 - symbol: Pt # 90 coordinates: [ 0.752113095000000, 0.375071500000000, 0.374935430000000 ] mass: 195.084000 reduced_to: 89 - symbol: Pt # 91 coordinates: [ 0.252113095000000, 0.875071500000000, 0.374935430000000 ] mass: 195.084000 reduced_to: 89 - symbol: Pt # 92 coordinates: [ 0.752113095000000, 0.875071500000000, 0.374935430000000 ] mass: 195.084000 reduced_to: 89 - symbol: Pt # 93 coordinates: [ 0.125071500000000, 0.497886905000000, 0.124935430000000 ] mass: 195.084000 reduced_to: 93 - symbol: Pt # 94 coordinates: [ 0.625071500000000, 0.497886905000000, 0.124935430000000 ] mass: 195.084000 reduced_to: 93 - symbol: Pt # 95 coordinates: [ 0.125071500000000, 0.997886905000000, 0.124935430000000 ] mass: 195.084000 reduced_to: 93 - symbol: Pt # 96 coordinates: [ 0.625071500000000, 0.997886905000000, 0.124935430000000 ] mass: 195.084000 reduced_to: 93born_effective_charge:- # 1 (S) - [ -1.490338940000000, -0.160541150000000, 0.049641420000000 ] - [ -0.065247440000000, -1.179680350000000, -0.254427460000000 ] - [ 0.106061250000000, -0.202122880000000, -1.670717870000000 ]- # 2 (S) - [ -1.490338940000000, -0.160541150000000, -0.049641420000000 ] - [ -0.065247440000000, -1.179680350000000, 0.254427460000000 ] - [ -0.106061250000000, 0.202122880000000, -1.670717870000000 ]- # 3 (S) - [ -1.179680350000000, -0.065247440000000, 0.254427460000000 ] - [ -0.160541150000000, -1.490338940000000, -0.049641420000000 ] - [ 0.202122880000000, -0.106061250000000, -1.670717870000000 ]- # 4 (S) - [ -1.179680350000000, 0.065247440000000, -0.254427460000000 ] - [ 0.160541150000000, -1.490338940000000, -0.049641420000000 ] - [ -0.202122880000000, -0.106061250000000, -1.670717870000000 ]- # 5 (S) - [ -1.179680350000000, 0.065247440000000, 0.254427460000000 ] - [ 0.160541150000000, -1.490338940000000, 0.049641420000000 ] - [ 0.202122880000000, 0.106061250000000, -1.670717870000000 ]- # 6 (S) - [ -1.490338940000000, 0.160541150000000, 0.049641420000000 ] - [ 0.065247440000000, -1.179680350000000, 0.254427460000000 ] - [ 0.106061250000000, 0.202122880000000, -1.670717870000000 ]- # 7 (S) - [ -1.490338940000000, 0.160541150000000, -0.049641420000000 ] - [ 0.065247440000000, -1.179680350000000, -0.254427460000000 ] - [ -0.106061250000000, -0.202122880000000, -1.670717870000000 ]- # 8 (S) - [ 1.271949550000000, 0.031172290000000, 0.071951010000000 ] - [ 0.031172290000000, 1.271949550000000, -0.071951010000000 ] - [ 0.182409730000000, -0.182409730000000, 0.482063750000000 ]- # 9 (S) - [ 1.271949550000000, 0.031172290000000, -0.071951010000000 ] - [ 0.031172290000000, 1.271949550000000, 0.071951010000000 ] - [ -0.182409730000000, 0.182409730000000, 0.482063750000000 ]- # 10 (S) - [ 1.271949550000000, -0.031172290000000, -0.071951010000000 ] - [ -0.031172290000000, 1.271949550000000, -0.071951010000000 ] - [ -0.182409730000000, -0.182409730000000, 0.482063750000000 ]- # 11 (S) - [ 1.271949550000000, -0.031172290000000, 0.071951010000000 ] - [ -0.031172290000000, 1.271949550000000, 0.071951010000000 ] - [ 0.182409730000000, 0.182409730000000, 0.482063750000000 ]- # 12 (S) - [ -1.179680350000000, -0.065247440000000, -0.254427460000000 ] - [ -0.160541150000000, -1.490338940000000, 0.049641420000000 ] - [ -0.202122880000000, 0.106061250000000, -1.670717870000000 ]- # 13 (Ba) - [ 2.864235050000000, 0.154127950000000, -0.209995250000000 ] - [ 0.154127950000000, 2.864235050000000, 0.209995250000000 ] - [ -0.043650560000000, 0.043650560000000, 3.268301630000000 ]- # 14 (Ba) - [ 2.864235050000000, -0.154127950000000, 0.209995250000000 ] - [ -0.154127950000000, 2.864235050000000, 0.209995250000000 ] - [ 0.043650560000000, 0.043650560000000, 3.268301630000000 ]- # 15 (Ba) - [ 2.864235050000000, -0.154127950000000, -0.209995250000000 ] - [ -0.154127950000000, 2.864235050000000, -0.209995250000000 ] - [ -0.043650560000000, -0.043650560000000, 3.268301630000000 ]- # 16 (Ba) - [ 2.864235050000000, 0.154127950000000, 0.209995250000000 ] - [ 0.154127950000000, 2.864235050000000, -0.209995250000000 ] - [ 0.043650560000000, -0.043650560000000, 3.268301630000000 ]- # 17 (Pt) - [ -2.083235420000000, 0.304990580000000, -0.320329410000000 ] - [ 0.621027820000000, 0.617070120000000, -0.181910040000000 ] - [ -0.328487430000000, 0.394621310000000, -0.204464820000000 ]- # 18 (Pt) - [ 0.617070120000000, 0.621027820000000, -0.181910040000000 ] - [ 0.304990580000000, -2.083235420000000, -0.320329410000000 ] - [ 0.394621310000000, -0.328487430000000, -0.204464820000000 ]- # 19 (Pt) - [ 0.617070120000000, 0.621027820000000, 0.181910040000000 ] - [ 0.304990580000000, -2.083235420000000, 0.320329410000000 ] - [ -0.394621310000000, 0.328487430000000, -0.204464820000000 ]- # 20 (Pt) - [ -2.083235420000000, -0.304990580000000, 0.320329410000000 ] - [ -0.621027820000000, 0.617070120000000, -0.181910040000000 ] - [ 0.328487430000000, 0.394621310000000, -0.204464820000000 ]- # 21 (Pt) - [ -2.083235420000000, -0.304990580000000, -0.320329410000000 ] - [ -0.621027820000000, 0.617070120000000, 0.181910040000000 ] - [ -0.328487430000000, -0.394621310000000, -0.204464820000000 ]- # 22 (Pt) - [ 0.617070120000000, -0.621027820000000, 0.181910040000000 ] - [ -0.304990580000000, -2.083235420000000, -0.320329410000000 ] - [ -0.394621310000000, -0.328487430000000, -0.204464820000000 ]- # 23 (Pt) - [ 0.617070120000000, -0.621027820000000, -0.181910040000000 ] - [ -0.304990580000000, -2.083235420000000, 0.320329410000000 ] - [ 0.394621310000000, 0.328487430000000, -0.204464820000000 ]- # 24 (Pt) - [ -2.083235420000000, 0.304990580000000, 0.320329410000000 ] - [ 0.621027820000000, 0.617070120000000, 0.181910040000000 ] - [ 0.328487430000000, -0.394621310000000, -0.204464820000000 ]dielectric_constant: - [ 8.003525030000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 8.003525030000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 10.432004709999999 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1485004600000000, 0.0276777500000000, 0.0126202000000000 ] - [ -0.0265425000000000, 0.0270938400000000, 0.0083387700000000 ] - [ -0.0269986700000000, 0.0273011400000000, 0.0084058900000000 ] - [ -0.0268534300000000, 0.0270538700000000, 0.0083782200000000 ] - [ 0.0268558200000000, -0.0271690200000000, 0.0081501500000000 ] - [ 0.0268927000000000, -0.0268867000000000, 0.0085521700000000 ] - [ 0.0268901700000000, -0.0269334000000000, 0.0082441500000000 ] - [ 0.0268675600000000, -0.0271114700000000, 0.0085106700000000 ] - [ 0.0270316400000000, -0.0270553800000000, -0.0083450900000000 ] - [ 0.0270076300000000, -0.0267511200000000, -0.0084984300000000 ] - [ 0.0271662400000000, -0.0267472100000000, -0.0084236600000000 ] - [ 0.0276383300000000, -0.0280333400000000, -0.0087629000000000 ] - [ 0.0268386400000000, 0.0269350000000000, 0.0082325000000000 ] - [ 0.0272809100000000, 0.0269709900000000, 0.0084746800000000 ] - [ 0.0268453800000000, 0.0270703600000000, 0.0080471700000000 ] - [ 0.0271326400000000, 0.0269044200000000, 0.0084110600000000 ] - [ -0.0263697800000000, -0.0270742100000000, 0.0090274600000000 ] - [ -0.0269277100000000, -0.0269346400000000, 0.0084924500000000 ] - [ -0.0270808700000000, -0.0269038500000000, 0.0084640400000000 ] - [ -0.0270665300000000, -0.0269691600000000, 0.0081468300000000 ] - [ 0.0267164900000000, 0.0271656800000000, -0.0083849800000000 ] - [ 0.0269891700000000, 0.0269934300000000, -0.0083853300000000 ] - [ 0.0267165400000000, 0.0270041300000000, -0.0083044900000000 ] - [ 0.0269889200000000, 0.0270134200000000, -0.0083664000000000 ] - [ -0.0213220000000000, -0.0313303800000000, -0.0186255700000000 ] - [ -0.0214267500000000, -0.0235704800000000, 0.0016908800000000 ] - [ -0.0268890000000000, -0.0270046200000000, -0.0083827700000000 ] - [ -0.0268891300000000, -0.0270961800000000, -0.0084690400000000 ] - [ 0.0012460400000000, 0.0012316900000000, -0.0000045700000000 ] - [ 0.0012704200000000, 0.0013044000000000, -0.0000541900000000 ] - [ 0.0014416100000000, 0.0012983000000000, 0.0000000700000000 ] - [ 0.0012299900000000, 0.0012483800000000, -0.0000207400000000 ] - [ 0.0046664900000000, -0.0020749600000000, 0.0004601700000000 ] - [ 0.0042396600000000, -0.0006682500000000, -0.0002358300000000 ] - [ -0.0013060400000000, -0.0013223700000000, -0.0000039800000000 ] - [ -0.0012168800000000, -0.0012573900000000, -0.0000734300000000 ] - [ 0.0012743300000000, -0.0012706100000000, -0.0000248500000000 ] - [ 0.0013789300000000, -0.0013562600000000, 0.0001000700000000 ] - [ 0.0014025900000000, -0.0013783900000000, -0.0000848300000000 ] - [ 0.0014690900000000, -0.0011900400000000, 0.0001881800000000 ] - [ -0.0077543200000000, 0.0014676000000000, 0.0002457600000000 ] - [ -0.0023049100000000, 0.0013460200000000, -0.0000313300000000 ] - [ -0.0012452000000000, 0.0013094400000000, 0.0000420600000000 ] - [ -0.0013325200000000, 0.0012671800000000, 0.0000166700000000 ] - [ -0.0273434800000000, 0.0271174000000000, -0.0089252400000000 ] - [ -0.0266498500000000, 0.0269013800000000, -0.0085780500000000 ] - [ -0.0270480700000000, 0.0269016400000000, -0.0084311400000000 ] - [ -0.0269945200000000, 0.0269111400000000, -0.0082978100000000 ] - [ -0.0234870500000000, -0.0240231300000000, 0.0010553300000000 ] - [ -0.0242413900000000, -0.0239288200000000, -0.0011838500000000 ] - [ -0.0240052100000000, -0.0240169600000000, -0.0000211600000000 ] - [ -0.0240260400000000, -0.0240468000000000, 0.0000634500000000 ] - [ -0.0228024000000000, 0.0237998200000000, -0.0033931800000000 ] - [ -0.0243651800000000, 0.0240307900000000, 0.0000961200000000 ] - [ -0.0238368200000000, 0.0240015300000000, -0.0000693500000000 ] - [ -0.0241708100000000, 0.0240240200000000, -0.0000266500000000 ] - [ 0.0238694400000000, -0.0230824400000000, -0.0000451800000000 ] - [ 0.0242840500000000, -0.0249828600000000, 0.0000119900000000 ] - [ 0.0239279800000000, -0.0246335200000000, 0.0000506500000000 ] - [ 0.0241952300000000, -0.0235333400000000, 0.0000973700000000 ] - [ 0.0242379500000000, 0.0231942200000000, 0.0003863100000000 ] - [ 0.0236787000000000, 0.0239815200000000, 0.0000392800000000 ] - [ 0.0249173700000000, 0.0256693900000000, 0.0000860600000000 ] - [ 0.0237025800000000, 0.0240827400000000, -0.0000154700000000 ] - [ -0.0081820500000000, -0.0149143000000000, 0.0014415500000000 ] - [ -0.0082776000000000, -0.0149626000000000, 0.0015593200000000 ] - [ -0.0081057300000000, -0.0150462800000000, 0.0020461400000000 ] - [ -0.0083183800000000, -0.0150547900000000, 0.0012549200000000 ] - [ 0.0149412900000000, 0.0081482000000000, -0.0013846300000000 ] - [ 0.0149985400000000, 0.0082380400000000, -0.0014780900000000 ] - [ 0.0149358300000000, 0.0083126700000000, -0.0014122100000000 ] - [ 0.0150324300000000, 0.0081301800000000, -0.0014668500000000 ] - [ 0.0351757600000000, 0.0069904000000000, 0.0318585800000000 ] - [ -0.0155014200000000, -0.0080399200000000, 0.0000201200000000 ] - [ -0.0149817100000000, -0.0081512700000000, -0.0014148200000000 ] - [ -0.0149773700000000, -0.0082682300000000, -0.0014445200000000 ] - [ -0.0077906700000000, 0.0147320000000000, -0.0014153400000000 ] - [ -0.0074586400000000, 0.0151807400000000, -0.0015832300000000 ] - [ -0.0082968500000000, 0.0148654500000000, -0.0013834400000000 ] - [ -0.0081286600000000, 0.0149748000000000, -0.0014925600000000 ] - [ 0.0083587300000000, -0.0147663500000000, -0.0015020100000000 ] - [ 0.0084636100000000, -0.0147764200000000, -0.0015026800000000 ] - [ 0.0082856700000000, -0.0149750700000000, -0.0014387800000000 ] - [ 0.0084510700000000, -0.0149520700000000, -0.0010758700000000 ] - [ 0.0150205600000000, -0.0082742700000000, 0.0015109900000000 ] - [ 0.0149477100000000, -0.0081390900000000, 0.0014009300000000 ] - [ 0.0149833700000000, -0.0082478200000000, 0.0013986200000000 ] - [ 0.0149257300000000, -0.0082224500000000, 0.0014322300000000 ] - [ 0.0365600100000000, -0.0072396700000000, -0.0334566500000000 ] - [ -0.0154821900000000, 0.0081776400000000, -0.0000360800000000 ] - [ -0.0149419000000000, 0.0082072000000000, 0.0014766100000000 ] - [ -0.0149859100000000, 0.0082167900000000, 0.0014577300000000 ] - [ 0.0081384000000000, 0.0151093400000000, 0.0016176800000000 ] - [ 0.0084396400000000, 0.0148449500000000, 0.0014701000000000 ] - [ 0.0080818000000000, 0.0149511900000000, 0.0015304200000000 ] - [ 0.0083951300000000, 0.0150156300000000, 0.0013544700000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0947237400000000, 0.0278780100000000, 0.0074130000000000 ] - [ -0.0272272200000000, 0.0269470100000000, 0.0084067200000000 ] - [ -0.0267722200000000, 0.0267421000000000, 0.0083358500000000 ] - [ -0.0269185000000000, 0.0269870700000000, 0.0083621800000000 ] - [ 0.0269153400000000, -0.0268732500000000, 0.0085893300000000 ] - [ 0.0268789600000000, -0.0271548000000000, 0.0081875800000000 ] - [ 0.0268808900000000, -0.0271069400000000, 0.0084956700000000 ] - [ 0.0269048300000000, -0.0269288700000000, 0.0082289400000000 ] - [ 0.0270093800000000, -0.0267175000000000, -0.0083962700000000 ] - [ 0.0270343000000000, -0.0270234500000000, -0.0082419300000000 ] - [ 0.0268788000000000, -0.0270194700000000, -0.0083192000000000 ] - [ 0.0263865200000000, -0.0257095800000000, -0.0079719000000000 ] - [ 0.0272017500000000, 0.0268372000000000, 0.0085083000000000 ] - [ 0.0267593700000000, 0.0268002900000000, 0.0082671700000000 ] - [ 0.0271937800000000, 0.0267002100000000, 0.0086929900000000 ] - [ 0.0269079100000000, 0.0268674200000000, 0.0083291200000000 ] - [ -0.0276521200000000, -0.0267041200000000, 0.0077385400000000 ] - [ -0.0271137700000000, -0.0268373200000000, 0.0082484900000000 ] - [ -0.0269603500000000, -0.0268670800000000, 0.0082770300000000 ] - [ -0.0269730900000000, -0.0267984700000000, 0.0085980200000000 ] - [ 0.0270546800000000, 0.0268789800000000, -0.0083563000000000 ] - [ 0.0267824500000000, 0.0270472500000000, -0.0083548800000000 ] - [ 0.0270546700000000, 0.0270309600000000, -0.0084404400000000 ] - [ 0.0267823200000000, 0.0270282800000000, -0.0083733300000000 ] - [ -0.0323434900000000, -0.0227842400000000, 0.0017236600000000 ] - [ -0.0324479000000000, -0.0305397300000000, -0.0185945600000000 ] - [ -0.0268822700000000, -0.0270363100000000, -0.0083582500000000 ] - [ -0.0268823900000000, -0.0269442200000000, -0.0082712200000000 ] - [ 0.0013185900000000, 0.0013362100000000, 0.0000072700000000 ] - [ 0.0012941700000000, 0.0012613200000000, 0.0000548600000000 ] - [ 0.0011228500000000, 0.0012670900000000, 0.0000034600000000 ] - [ 0.0013342700000000, 0.0013140800000000, 0.0000211800000000 ] - [ -0.0070808800000000, -0.0005258600000000, -0.0004394500000000 ] - [ -0.0069445000000000, -0.0019304400000000, 0.0002468800000000 ] - [ -0.0012579400000000, -0.0012415400000000, 0.0000046400000000 ] - [ -0.0013485500000000, -0.0013083100000000, 0.0000750200000000 ] - [ 0.0012911300000000, -0.0012931800000000, 0.0000256600000000 ] - [ 0.0011825200000000, -0.0012064800000000, -0.0001008300000000 ] - [ 0.0011712800000000, -0.0011900200000000, 0.0000818300000000 ] - [ 0.0010839200000000, -0.0013782600000000, -0.0001936400000000 ] - [ 0.0051915400000000, 0.0011579300000000, -0.0002345200000000 ] - [ -0.0002616300000000, 0.0012175700000000, 0.0000354600000000 ] - [ -0.0013189300000000, 0.0012551600000000, -0.0000422100000000 ] - [ -0.0012320800000000, 0.0012975600000000, -0.0000163500000000 ] - [ -0.0267026300000000, 0.0266587700000000, -0.0078232500000000 ] - [ -0.0273905500000000, 0.0268713300000000, -0.0081617300000000 ] - [ -0.0269928900000000, 0.0268715600000000, -0.0083098400000000 ] - [ -0.0270467900000000, 0.0268608200000000, -0.0084426500000000 ] - [ -0.0245458800000000, -0.0240144400000000, -0.0010527300000000 ] - [ -0.0237968100000000, -0.0241092700000000, 0.0011895600000000 ] - [ -0.0240313500000000, -0.0240195200000000, 0.0000215900000000 ] - [ -0.0240115500000000, -0.0239892700000000, -0.0000636600000000 ] - [ -0.0251889600000000, 0.0242320800000000, 0.0033206200000000 ] - [ -0.0236761800000000, 0.0240075200000000, -0.0000962100000000 ] - [ -0.0242013700000000, 0.0240360800000000, 0.0000687000000000 ] - [ -0.0238656800000000, 0.0240127600000000, 0.0000267700000000 ] - [ 0.0241684800000000, -0.0249505700000000, 0.0000432400000000 ] - [ 0.0237499200000000, -0.0230494000000000, -0.0000137300000000 ] - [ 0.0241070900000000, -0.0234047700000000, -0.0000501300000000 ] - [ 0.0238396000000000, -0.0245022300000000, -0.0000999000000000 ] - [ 0.0237890400000000, 0.0248276700000000, -0.0003771100000000 ] - [ 0.0243592200000000, 0.0240539100000000, -0.0000384600000000 ] - [ 0.0231042700000000, 0.0223461900000000, -0.0000986200000000 ] - [ 0.0243362700000000, 0.0239526500000000, 0.0000172900000000 ] - [ -0.0082557000000000, -0.0150242200000000, 0.0014525600000000 ] - [ -0.0081593700000000, -0.0149783500000000, 0.0013324600000000 ] - [ -0.0083473300000000, -0.0148780400000000, 0.0008590500000000 ] - [ -0.0081049200000000, -0.0148685000000000, 0.0016483300000000 ] - [ 0.0149980600000000, 0.0082887500000000, -0.0015092500000000 ] - [ 0.0149396800000000, 0.0082000700000000, -0.0014158500000000 ] - [ 0.0150027200000000, 0.0081252800000000, -0.0014795100000000 ] - [ 0.0149077500000000, 0.0082989800000000, -0.0014274600000000 ] - [ -0.0667131200000000, -0.0241016200000000, -0.0362160600000000 ] - [ -0.0144658800000000, -0.0084044500000000, -0.0029342700000000 ] - [ -0.0149581900000000, -0.0082854300000000, -0.0014788600000000 ] - [ -0.0149616200000000, -0.0081685100000000, -0.0014492300000000 ] - [ -0.0086461300000000, 0.0151957700000000, -0.0014751800000000 ] - [ -0.0089806800000000, 0.0147568700000000, -0.0013081400000000 ] - [ -0.0081392600000000, 0.0150741700000000, -0.0015100400000000 ] - [ -0.0083084000000000, 0.0149639000000000, -0.0014014700000000 ] - [ 0.0080769000000000, -0.0151758000000000, -0.0013940300000000 ] - [ 0.0079747800000000, -0.0151717600000000, -0.0013887200000000 ] - [ 0.0081492300000000, -0.0149668600000000, -0.0014554600000000 ] - [ 0.0079806100000000, -0.0149848400000000, -0.0018269200000000 ] - [ 0.0149187300000000, -0.0081611800000000, 0.0013829900000000 ] - [ 0.0149909100000000, -0.0082975100000000, 0.0014922100000000 ] - [ 0.0149553200000000, -0.0081932300000000, 0.0014952600000000 ] - [ 0.0150133100000000, -0.0082140600000000, 0.0014627000000000 ] - [ -0.0649034800000000, 0.0230071700000000, 0.0348693300000000 ] - [ -0.0144291500000000, 0.0082507300000000, 0.0029134100000000 ] - [ -0.0149988900000000, 0.0082258500000000, 0.0014183900000000 ] - [ -0.0149530100000000, 0.0082201500000000, 0.0014362500000000 ] - [ 0.0082990900000000, 0.0148338200000000, 0.0012676100000000 ] - [ 0.0079975000000000, 0.0150985400000000, 0.0014237400000000 ] - [ 0.0083541900000000, 0.0149860600000000, 0.0013637900000000 ] - [ 0.0080409600000000, 0.0149241100000000, 0.0015390600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0270410200000000, -0.0080941800000000, -0.0249492500000000 ] - [ -0.0268113900000000, 0.0264456400000000, 0.0077880100000000 ] - [ -0.0266100400000000, 0.0289505800000000, 0.0081876200000000 ] - [ -0.0268522400000000, 0.0270852800000000, 0.0084181000000000 ] - [ 0.0267384300000000, -0.0269693200000000, 0.0081981400000000 ] - [ 0.0270196100000000, -0.0269053600000000, 0.0082600400000000 ] - [ 0.0269732400000000, -0.0271345600000000, 0.0084706100000000 ] - [ 0.0267944000000000, -0.0271874400000000, 0.0085100600000000 ] - [ 0.0268318300000000, -0.0268741900000000, -0.0084909100000000 ] - [ 0.0273994800000000, -0.0267418600000000, -0.0085201000000000 ] - [ 0.0274052600000000, -0.0268986000000000, -0.0082200300000000 ] - [ 0.0260983700000000, -0.0262560700000000, -0.0077134700000000 ] - [ 0.0270874100000000, 0.0269791400000000, 0.0088078200000000 ] - [ 0.0270088800000000, 0.0268400700000000, 0.0084110200000000 ] - [ 0.0267431300000000, 0.0275304700000000, 0.0073970100000000 ] - [ 0.0270027400000000, 0.0268250900000000, 0.0083221400000000 ] - [ -0.0267445900000000, -0.0270617000000000, 0.0087258900000000 ] - [ -0.0270868800000000, -0.0270678800000000, 0.0086024200000000 ] - [ -0.0270023700000000, -0.0267731300000000, 0.0083693900000000 ] - [ -0.0270082900000000, -0.0266242500000000, 0.0085208800000000 ] - [ 0.0268989200000000, 0.0269975400000000, -0.0091204900000000 ] - [ 0.0268934600000000, 0.0270307800000000, -0.0083796600000000 ] - [ 0.0267418600000000, 0.0269965700000000, -0.0076763600000000 ] - [ 0.0269130700000000, 0.0270305300000000, -0.0083382800000000 ] - [ -0.0303760600000000, -0.0303412300000000, -0.0043142900000000 ] - [ -0.0226025000000000, -0.0303346600000000, -0.0035307200000000 ] - [ -0.0268087500000000, -0.0270518900000000, -0.0084030600000000 ] - [ -0.0269029400000000, -0.0270511200000000, -0.0083812400000000 ] - [ 0.0012837800000000, 0.0011037800000000, 0.0001108600000000 ] - [ 0.0012901300000000, 0.0012395900000000, -0.0000411100000000 ] - [ 0.0013326800000000, 0.0012851300000000, 0.0001383400000000 ] - [ 0.0012595100000000, 0.0013092800000000, -0.0000099900000000 ] - [ -0.0032251300000000, -0.0012883900000000, -0.0003426300000000 ] - [ 0.0004654700000000, -0.0013941900000000, -0.0002013100000000 ] - [ -0.0014072200000000, -0.0015042000000000, -0.0000232700000000 ] - [ -0.0012289400000000, -0.0014112800000000, 0.0000370300000000 ] - [ 0.0013093700000000, -0.0013270500000000, 0.0000884800000000 ] - [ 0.0012599400000000, -0.0013961000000000, 0.0000966600000000 ] - [ 0.0012365600000000, -0.0012174100000000, -0.0000952800000000 ] - [ 0.0013857100000000, -0.0012075600000000, -0.0000378000000000 ] - [ -0.0010921400000000, 0.0002327200000000, 0.0038809600000000 ] - [ -0.0013007000000000, 0.0015529200000000, -0.0003944100000000 ] - [ -0.0011601100000000, 0.0011408300000000, -0.0000009100000000 ] - [ -0.0012977500000000, 0.0012536200000000, 0.0000212900000000 ] - [ -0.0270834300000000, 0.0265683200000000, -0.0082263500000000 ] - [ -0.0271568400000000, 0.0268578500000000, -0.0082615600000000 ] - [ -0.0271575800000000, 0.0272572000000000, -0.0085854000000000 ] - [ -0.0269663000000000, 0.0269122500000000, -0.0083178200000000 ] - [ -0.0243045700000000, -0.0238872300000000, -0.0004087400000000 ] - [ -0.0238787000000000, -0.0238874400000000, -0.0005319700000000 ] - [ -0.0241493000000000, -0.0241871100000000, 0.0000575400000000 ] - [ -0.0239226500000000, -0.0240860200000000, -0.0000313000000000 ] - [ -0.0242740600000000, 0.0248792800000000, 0.0002313900000000 ] - [ -0.0241918300000000, 0.0241769900000000, 0.0000405200000000 ] - [ -0.0239735400000000, 0.0236814400000000, 0.0000277000000000 ] - [ -0.0240428500000000, 0.0238443100000000, -0.0000646700000000 ] - [ 0.0239894400000000, -0.0244030200000000, 0.0000766600000000 ] - [ 0.0240896800000000, -0.0242924200000000, -0.0000515300000000 ] - [ 0.0237138200000000, -0.0234199200000000, 0.0001651500000000 ] - [ 0.0246039800000000, -0.0235258600000000, 0.0003444900000000 ] - [ 0.0239658400000000, 0.0252019000000000, -0.0013686500000000 ] - [ 0.0238988000000000, 0.0238763600000000, 0.0000113100000000 ] - [ 0.0247056300000000, 0.0310179700000000, -0.0002944000000000 ] - [ 0.0240031600000000, 0.0241456700000000, 0.0001033900000000 ] - [ -0.0083307600000000, -0.0149714400000000, 0.0014659400000000 ] - [ -0.0082546000000000, -0.0150240800000000, 0.0014828000000000 ] - [ -0.0076692500000000, -0.0147282900000000, 0.0017038300000000 ] - [ -0.0085788900000000, -0.0145919000000000, 0.0012849600000000 ] - [ 0.0149238500000000, 0.0082888500000000, -0.0014198300000000 ] - [ 0.0147257600000000, 0.0083510900000000, -0.0014402700000000 ] - [ 0.0149658800000000, 0.0081314700000000, -0.0014459500000000 ] - [ 0.0151543100000000, 0.0082445800000000, -0.0015446000000000 ] - [ -0.0010101200000000, 0.0072090100000000, 0.0102257200000000 ] - [ -0.0159319000000000, -0.0084359100000000, -0.0014933300000000 ] - [ -0.0149668400000000, -0.0078864400000000, -0.0015160800000000 ] - [ -0.0150019100000000, -0.0081107900000000, -0.0014709100000000 ] - [ -0.0083346200000000, 0.0157064000000000, -0.0013825800000000 ] - [ -0.0081373800000000, 0.0149338000000000, -0.0013982900000000 ] - [ -0.0078608200000000, 0.0146022400000000, -0.0014513600000000 ] - [ -0.0082093100000000, 0.0149580100000000, -0.0014712200000000 ] - [ 0.0078418200000000, -0.0150634900000000, -0.0015755800000000 ] - [ 0.0082270300000000, -0.0149517000000000, -0.0014698000000000 ] - [ 0.0087169000000000, -0.0149297100000000, -0.0013498900000000 ] - [ 0.0079218900000000, -0.0152415400000000, -0.0017816600000000 ] - [ 0.0152206100000000, -0.0080468000000000, 0.0014495400000000 ] - [ 0.0149917700000000, -0.0081168600000000, 0.0015149000000000 ] - [ 0.0148550800000000, -0.0081588900000000, 0.0013034000000000 ] - [ 0.0149277700000000, -0.0083006000000000, 0.0014016400000000 ] - [ -0.0298587800000000, 0.0222994200000000, 0.0134477200000000 ] - [ -0.0141864600000000, 0.0081025400000000, 0.0010777300000000 ] - [ -0.0148535600000000, 0.0088910700000000, 0.0011891400000000 ] - [ -0.0149421500000000, 0.0083039800000000, 0.0014060100000000 ] - [ 0.0083497600000000, 0.0153497400000000, 0.0017814600000000 ] - [ 0.0083142400000000, 0.0150438400000000, 0.0014299300000000 ] - [ 0.0081242400000000, 0.0147655500000000, 0.0015148500000000 ] - [ 0.0081835700000000, 0.0149303900000000, 0.0014378400000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0268430100000000, 0.0616043100000000, 0.0418235300000000 ] - [ -0.0269581400000000, 0.0275895400000000, 0.0089404800000000 ] - [ -0.0271691400000000, 0.0250840400000000, 0.0085443600000000 ] - [ -0.0269190900000000, 0.0269565800000000, 0.0083208300000000 ] - [ 0.0270341900000000, -0.0270698400000000, 0.0085412700000000 ] - [ 0.0267515800000000, -0.0271344000000000, 0.0084801300000000 ] - [ 0.0267995600000000, -0.0269085000000000, 0.0082683900000000 ] - [ 0.0269769500000000, -0.0268564400000000, 0.0082294000000000 ] - [ 0.0272152000000000, -0.0268963700000000, -0.0082482500000000 ] - [ 0.0266352400000000, -0.0270290500000000, -0.0082190400000000 ] - [ 0.0266409900000000, -0.0268716600000000, -0.0085191800000000 ] - [ 0.0279356400000000, -0.0275078700000000, -0.0090195500000000 ] - [ 0.0269543600000000, 0.0267931800000000, 0.0079233300000000 ] - [ 0.0270337600000000, 0.0269336300000000, 0.0083284000000000 ] - [ 0.0272976600000000, 0.0262483000000000, 0.0093339900000000 ] - [ 0.0270387300000000, 0.0269457800000000, 0.0084160300000000 ] - [ -0.0272991700000000, -0.0267131400000000, 0.0080202100000000 ] - [ -0.0269537500000000, -0.0267046100000000, 0.0081392000000000 ] - [ -0.0270384200000000, -0.0269976700000000, 0.0083700500000000 ] - [ -0.0270332400000000, -0.0271456200000000, 0.0082191400000000 ] - [ 0.0268719600000000, 0.0270436200000000, -0.0076123700000000 ] - [ 0.0268784800000000, 0.0270103600000000, -0.0083588900000000 ] - [ 0.0270285100000000, 0.0270425300000000, -0.0090524200000000 ] - [ 0.0268590700000000, 0.0270100800000000, -0.0083991100000000 ] - [ -0.0234068200000000, -0.0236593200000000, -0.0123950300000000 ] - [ -0.0311485500000000, -0.0236528200000000, -0.0131657600000000 ] - [ -0.0269608000000000, -0.0269901500000000, -0.0083378100000000 ] - [ -0.0268713400000000, -0.0269893800000000, -0.0083607000000000 ] - [ 0.0012803700000000, 0.0014583700000000, -0.0001111100000000 ] - [ 0.0012735500000000, 0.0013232700000000, 0.0000397900000000 ] - [ 0.0012329700000000, 0.0012820700000000, -0.0001364200000000 ] - [ 0.0013041800000000, 0.0012552100000000, 0.0000091600000000 ] - [ 0.0006544300000000, -0.0012692200000000, 0.0003513700000000 ] - [ -0.0030239900000000, -0.0011635800000000, 0.0002174000000000 ] - [ -0.0011594500000000, -0.0010615200000000, 0.0000239200000000 ] - [ -0.0013330100000000, -0.0011538600000000, -0.0000382200000000 ] - [ 0.0012541500000000, -0.0012399100000000, -0.0000887200000000 ] - [ 0.0013053500000000, -0.0011718100000000, -0.0000960400000000 ] - [ 0.0013295100000000, -0.0013483400000000, 0.0000925000000000 ] - [ 0.0011764400000000, -0.0013588600000000, 0.0000346400000000 ] - [ -0.0014715500000000, 0.0023466900000000, -0.0038722000000000 ] - [ -0.0012635800000000, 0.0010163200000000, 0.0003931900000000 ] - [ -0.0014028800000000, 0.0014218100000000, 0.0000035100000000 ] - [ -0.0012662000000000, 0.0013094000000000, -0.0000207500000000 ] - [ -0.0269602000000000, 0.0272093500000000, -0.0085146300000000 ] - [ -0.0268850400000000, 0.0269131300000000, -0.0084764400000000 ] - [ -0.0268857900000000, 0.0265165500000000, -0.0081562800000000 ] - [ -0.0270741500000000, 0.0268601400000000, -0.0084187700000000 ] - [ -0.0237342300000000, -0.0241476800000000, 0.0003983200000000 ] - [ -0.0241572000000000, -0.0241472400000000, 0.0005179400000000 ] - [ -0.0238883700000000, -0.0238502600000000, -0.0000574500000000 ] - [ -0.0241119300000000, -0.0239502300000000, 0.0000320200000000 ] - [ -0.0237534100000000, 0.0231597500000000, -0.0002810800000000 ] - [ -0.0238475400000000, 0.0238620300000000, -0.0000394300000000 ] - [ -0.0240602100000000, 0.0243513800000000, -0.0000325200000000 ] - [ -0.0239948300000000, 0.0241898600000000, 0.0000626900000000 ] - [ 0.0240424000000000, -0.0236423700000000, -0.0000724000000000 ] - [ 0.0239523100000000, -0.0237548000000000, 0.0000553000000000 ] - [ 0.0243190800000000, -0.0246086600000000, -0.0001625100000000 ] - [ 0.0234374900000000, -0.0244996800000000, -0.0003409900000000 ] - [ 0.0241114300000000, 0.0226281500000000, 0.0013617700000000 ] - [ 0.0241348800000000, 0.0241537300000000, -0.0000092500000000 ] - [ 0.0234031800000000, 0.0174123300000000, 0.0003015700000000 ] - [ 0.0240322300000000, 0.0238926700000000, -0.0001007200000000 ] - [ -0.0081021100000000, -0.0149694500000000, 0.0014270900000000 ] - [ -0.0081832800000000, -0.0149149800000000, 0.0014104500000000 ] - [ -0.0087638100000000, -0.0152046200000000, 0.0011914100000000 ] - [ -0.0078679200000000, -0.0153390200000000, 0.0016099000000000 ] - [ 0.0150145600000000, 0.0081487500000000, -0.0014728500000000 ] - [ 0.0152136200000000, 0.0080897900000000, -0.0014521300000000 ] - [ 0.0149727900000000, 0.0083041800000000, -0.0014471900000000 ] - [ 0.0147862200000000, 0.0081890000000000, -0.0013489700000000 ] - [ -0.0289652500000000, -0.0235615600000000, -0.0132072500000000 ] - [ -0.0140103900000000, -0.0080064200000000, -0.0014101000000000 ] - [ -0.0149704200000000, -0.0085486000000000, -0.0013749200000000 ] - [ -0.0149387700000000, -0.0083241400000000, -0.0014227300000000 ] - [ -0.0081007100000000, 0.0142261700000000, -0.0015091700000000 ] - [ -0.0082981500000000, 0.0150040800000000, -0.0014945700000000 ] - [ -0.0085711200000000, 0.0153345000000000, -0.0014427400000000 ] - [ -0.0082265200000000, 0.0149815400000000, -0.0014227400000000 ] - [ 0.0085906500000000, -0.0148740200000000, -0.0013236800000000 ] - [ 0.0082134900000000, -0.0149848200000000, -0.0014239900000000 ] - [ 0.0077245700000000, -0.0150109400000000, -0.0015426300000000 ] - [ 0.0085128300000000, -0.0147008200000000, -0.0011140900000000 ] - [ 0.0147194100000000, -0.0083863400000000, 0.0014448200000000 ] - [ 0.0149488000000000, -0.0083167800000000, 0.0013794400000000 ] - [ 0.0150827800000000, -0.0082796000000000, 0.0015875400000000 ] - [ 0.0150117800000000, -0.0081364100000000, 0.0014919900000000 ] - [ -0.0000469300000000, -0.0057201100000000, -0.0106267900000000 ] - [ -0.0157543500000000, 0.0083290000000000, 0.0018023300000000 ] - [ -0.0150865200000000, 0.0075509000000000, 0.0017048700000000 ] - [ -0.0149970900000000, 0.0081323800000000, 0.0014879800000000 ] - [ 0.0080836300000000, 0.0145802800000000, 0.0011206800000000 ] - [ 0.0081233400000000, 0.0148953100000000, 0.0014643600000000 ] - [ 0.0083109800000000, 0.0151749300000000, 0.0013793500000000 ] - [ 0.0082530900000000, 0.0150085400000000, 0.0014545600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0241994700000000, -0.0057262100000000, -0.0998311500000000 ] - [ -0.0269213000000000, 0.0264404500000000, 0.0072882000000000 ] - [ -0.0268495100000000, 0.0268416800000000, 0.0085641900000000 ] - [ -0.0268786600000000, 0.0270694500000000, 0.0083478300000000 ] - [ 0.0271070500000000, -0.0268481100000000, 0.0087387600000000 ] - [ 0.0267039000000000, -0.0269093800000000, 0.0087237200000000 ] - [ 0.0270132400000000, -0.0271225800000000, 0.0087012100000000 ] - [ 0.0267451600000000, -0.0271620500000000, 0.0087068200000000 ] - [ 0.0271419300000000, -0.0269128900000000, -0.0086866700000000 ] - [ 0.0268724500000000, -0.0268350500000000, -0.0086393800000000 ] - [ 0.0271703900000000, -0.0267582700000000, -0.0086404300000000 ] - [ 0.0263677700000000, -0.0264923200000000, -0.0085709700000000 ] - [ 0.0272530600000000, 0.0267637400000000, 0.0084455900000000 ] - [ 0.0271723200000000, 0.0271127200000000, 0.0084074300000000 ] - [ 0.0273697300000000, 0.0262482600000000, 0.0088289700000000 ] - [ 0.0270205100000000, 0.0267931600000000, 0.0083386800000000 ] - [ -0.0260426900000000, -0.0272129200000000, 0.0088341400000000 ] - [ -0.0274658400000000, -0.0270249900000000, 0.0084404400000000 ] - [ -0.0269733300000000, -0.0268452900000000, 0.0083385200000000 ] - [ -0.0270622200000000, -0.0267831900000000, 0.0084081900000000 ] - [ 0.0269556200000000, 0.0263284300000000, -0.0076851300000000 ] - [ 0.0268902800000000, 0.0269898100000000, -0.0083663000000000 ] - [ 0.0268726000000000, 0.0277825500000000, -0.0076801700000000 ] - [ 0.0268712300000000, 0.0270313000000000, -0.0083659900000000 ] - [ -0.0369668200000000, -0.0222102600000000, -0.0012072800000000 ] - [ -0.0167676300000000, -0.0229803600000000, -0.0012053200000000 ] - [ -0.0267882500000000, -0.0270310600000000, -0.0083787000000000 ] - [ -0.0268738600000000, -0.0270531600000000, -0.0083782700000000 ] - [ 0.0012531300000000, 0.0014324700000000, 0.0000062300000000 ] - [ 0.0012568600000000, 0.0011479800000000, -0.0001921100000000 ] - [ 0.0011280900000000, 0.0014014000000000, -0.0002876100000000 ] - [ 0.0013099900000000, 0.0012902400000000, -0.0000632700000000 ] - [ -0.0014110500000000, -0.0020372000000000, -0.0010304300000000 ] - [ -0.0012554600000000, -0.0020005000000000, -0.0013993700000000 ] - [ -0.0013431200000000, -0.0012878500000000, 0.0000158600000000 ] - [ -0.0012166600000000, -0.0013497200000000, 0.0000946300000000 ] - [ 0.0012171400000000, -0.0011295500000000, -0.0000288300000000 ] - [ 0.0013050200000000, -0.0011612700000000, -0.0000324200000000 ] - [ 0.0012733300000000, -0.0016099100000000, -0.0000854100000000 ] - [ 0.0014001300000000, -0.0015981600000000, -0.0000822700000000 ] - [ -0.0012126400000000, 0.0049315300000000, 0.0143766900000000 ] - [ -0.0013074000000000, 0.0016610800000000, -0.0004898700000000 ] - [ -0.0013311300000000, 0.0013203700000000, 0.0001238400000000 ] - [ -0.0012663800000000, 0.0012322600000000, 0.0000213800000000 ] - [ -0.0268758500000000, 0.0263310100000000, -0.0067954200000000 ] - [ -0.0272363500000000, 0.0268259500000000, -0.0080889000000000 ] - [ -0.0269142700000000, 0.0266829600000000, -0.0080910000000000 ] - [ -0.0269701000000000, 0.0269595300000000, -0.0081534600000000 ] - [ -0.0247970700000000, -0.0238619700000000, -0.0017381900000000 ] - [ -0.0237148100000000, -0.0237880000000000, -0.0017578800000000 ] - [ -0.0241300700000000, -0.0241192300000000, -0.0001283400000000 ] - [ -0.0238476600000000, -0.0241450300000000, -0.0001292300000000 ] - [ -0.0260795900000000, 0.0237650600000000, 0.0112932400000000 ] - [ -0.0242906700000000, 0.0240899100000000, 0.0000296400000000 ] - [ -0.0239855300000000, 0.0239147400000000, -0.0001007300000000 ] - [ -0.0240191600000000, 0.0239782000000000, -0.0000802800000000 ] - [ 0.0238190800000000, -0.0252887600000000, 0.0001246000000000 ] - [ 0.0245157600000000, -0.0251122500000000, 0.0000052900000000 ] - [ 0.0239207800000000, -0.0231033800000000, 0.0000697700000000 ] - [ 0.0240961900000000, -0.0232352400000000, -0.0000161000000000 ] - [ 0.0238314800000000, 0.0265458800000000, 0.0003234700000000 ] - [ 0.0240959400000000, 0.0237726500000000, 0.0004494600000000 ] - [ 0.0236644700000000, 0.0224958400000000, 0.0009006400000000 ] - [ 0.0242140700000000, 0.0241919400000000, 0.0002217100000000 ] - [ -0.0081346700000000, -0.0149845000000000, 0.0015226200000000 ] - [ -0.0083955700000000, -0.0150112500000000, 0.0014892500000000 ] - [ -0.0078833300000000, -0.0146362100000000, 0.0016757500000000 ] - [ -0.0088353200000000, -0.0143699700000000, 0.0013321300000000 ] - [ 0.0149036600000000, 0.0082720000000000, -0.0015188700000000 ] - [ 0.0152762500000000, 0.0081259200000000, -0.0016024100000000 ] - [ 0.0149278700000000, 0.0082147900000000, -0.0014405300000000 ] - [ 0.0149922800000000, 0.0088397900000000, -0.0016283300000000 ] - [ 0.0102896200000000, 0.0032323100000000, 0.0352331300000000 ] - [ -0.0154184900000000, -0.0085159600000000, -0.0022966300000000 ] - [ -0.0149840300000000, -0.0080647500000000, -0.0014222000000000 ] - [ -0.0150050100000000, -0.0081342400000000, -0.0014678700000000 ] - [ -0.0084833400000000, 0.0152236000000000, -0.0015180500000000 ] - [ -0.0082899400000000, 0.0149317500000000, -0.0012408700000000 ] - [ -0.0084452900000000, 0.0152122700000000, -0.0014306000000000 ] - [ -0.0082798900000000, 0.0149472700000000, -0.0014795700000000 ] - [ 0.0086756400000000, -0.0150024200000000, -0.0013724200000000 ] - [ 0.0078478100000000, -0.0152311900000000, -0.0015017600000000 ] - [ 0.0083510200000000, -0.0150591000000000, -0.0014239500000000 ] - [ 0.0080105900000000, -0.0149056300000000, -0.0017335700000000 ] - [ 0.0147370100000000, -0.0082698200000000, 0.0013220400000000 ] - [ 0.0150600800000000, -0.0081126500000000, 0.0014044900000000 ] - [ 0.0149423200000000, -0.0079308100000000, 0.0012476600000000 ] - [ 0.0149945500000000, -0.0082532600000000, 0.0014399300000000 ] - [ -0.0398766800000000, 0.0188420400000000, 0.0368231900000000 ] - [ -0.0144885600000000, 0.0081231300000000, 0.0008654300000000 ] - [ -0.0149772400000000, 0.0084851100000000, 0.0014560500000000 ] - [ -0.0149365400000000, 0.0082593100000000, 0.0014409600000000 ] - [ 0.0079984600000000, 0.0140426100000000, 0.0010223200000000 ] - [ 0.0082194300000000, 0.0150834700000000, 0.0014155700000000 ] - [ 0.0081492700000000, 0.0150457800000000, 0.0012727100000000 ] - [ 0.0082239200000000, 0.0149641400000000, 0.0013521500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0294038300000000, 0.0610598200000000, 0.1183571300000000 ] - [ -0.0268510800000000, 0.0275927100000000, 0.0094300900000000 ] - [ -0.0269177800000000, 0.0271986600000000, 0.0081739600000000 ] - [ -0.0268929400000000, 0.0269720500000000, 0.0083903600000000 ] - [ 0.0266658400000000, -0.0271911500000000, 0.0080036800000000 ] - [ 0.0270666500000000, -0.0271293800000000, 0.0080191900000000 ] - [ 0.0267595500000000, -0.0269203000000000, 0.0080406800000000 ] - [ 0.0270248000000000, -0.0268813500000000, 0.0080358400000000 ] - [ 0.0268990400000000, -0.0268598700000000, -0.0080561900000000 ] - [ 0.0271714100000000, -0.0269377000000000, -0.0081031000000000 ] - [ 0.0268691800000000, -0.0270129800000000, -0.0081041500000000 ] - [ 0.0276735500000000, -0.0272816400000000, -0.0081809300000000 ] - [ 0.0267899100000000, 0.0270058200000000, 0.0083004200000000 ] - [ 0.0268704300000000, 0.0266595000000000, 0.0083314000000000 ] - [ 0.0266637500000000, 0.0275352200000000, 0.0079106300000000 ] - [ 0.0270210400000000, 0.0269782300000000, 0.0083998100000000 ] - [ -0.0279797400000000, -0.0265651900000000, 0.0079155900000000 ] - [ -0.0265812400000000, -0.0267471700000000, 0.0082952800000000 ] - [ -0.0270671300000000, -0.0269253000000000, 0.0083996600000000 ] - [ -0.0269795400000000, -0.0269887500000000, 0.0083322100000000 ] - [ 0.0268175700000000, 0.0277041600000000, -0.0090520800000000 ] - [ 0.0268813000000000, 0.0270504800000000, -0.0083717200000000 ] - [ 0.0268994600000000, 0.0262741500000000, -0.0090471100000000 ] - [ 0.0268997300000000, 0.0270103400000000, -0.0083714300000000 ] - [ -0.0166795500000000, -0.0318448800000000, -0.0155348200000000 ] - [ -0.0371146800000000, -0.0310606700000000, -0.0155329900000000 ] - [ -0.0269844000000000, -0.0270103400000000, -0.0083597700000000 ] - [ -0.0268966900000000, -0.0269877300000000, -0.0083593200000000 ] - [ 0.0013084400000000, 0.0011278400000000, -0.0000153400000000 ] - [ 0.0013073100000000, 0.0014159300000000, 0.0001906900000000 ] - [ 0.0014359700000000, 0.0011622900000000, 0.0002858600000000 ] - [ 0.0012540500000000, 0.0012727900000000, 0.0000624400000000 ] - [ -0.0011698500000000, -0.0004960800000000, 0.0010934300000000 ] - [ -0.0012967100000000, -0.0005309800000000, 0.0014588600000000 ] - [ -0.0012211800000000, -0.0012769500000000, -0.0000153200000000 ] - [ -0.0013486000000000, -0.0012155400000000, -0.0000932700000000 ] - [ 0.0013452800000000, -0.0014336600000000, 0.0000292300000000 ] - [ 0.0012601700000000, -0.0014013400000000, 0.0000320700000000 ] - [ 0.0012898600000000, -0.0009543600000000, 0.0000875600000000 ] - [ 0.0011653100000000, -0.0009673800000000, 0.0000815300000000 ] - [ -0.0013554500000000, -0.0025188200000000, -0.0147376200000000 ] - [ -0.0012577800000000, 0.0009064700000000, 0.0004823800000000 ] - [ -0.0012307100000000, 0.0012432700000000, -0.0001262900000000 ] - [ -0.0012977400000000, 0.0013317500000000, -0.0000207500000000 ] - [ -0.0271641000000000, 0.0274314500000000, -0.0099173800000000 ] - [ -0.0268071100000000, 0.0269453200000000, -0.0086462300000000 ] - [ -0.0271290600000000, 0.0270975800000000, -0.0086484700000000 ] - [ -0.0270709100000000, 0.0268127700000000, -0.0085835400000000 ] - [ -0.0232387600000000, -0.0241719600000000, 0.0017240500000000 ] - [ -0.0243200800000000, -0.0242451400000000, 0.0017475300000000 ] - [ -0.0239065400000000, -0.0239190100000000, 0.0001268500000000 ] - [ -0.0241870100000000, -0.0238933400000000, 0.0001271900000000 ] - [ -0.0220646200000000, 0.0242697800000000, -0.0108031700000000 ] - [ -0.0237505800000000, 0.0239498900000000, -0.0000297500000000 ] - [ -0.0240500900000000, 0.0241181200000000, 0.0001018000000000 ] - [ -0.0240165500000000, 0.0240566400000000, 0.0000802800000000 ] - [ 0.0242179700000000, -0.0227547100000000, -0.0001221100000000 ] - [ 0.0235190400000000, -0.0229334600000000, -0.0000028100000000 ] - [ 0.0241214100000000, -0.0249268900000000, -0.0000719500000000 ] - [ 0.0239301800000000, -0.0247841500000000, 0.0000104500000000 ] - [ 0.0241997400000000, 0.0214742600000000, -0.0002982500000000 ] - [ 0.0239416100000000, 0.0242590600000000, -0.0004454300000000 ] - [ 0.0243544400000000, 0.0254710600000000, -0.0008802500000000 ] - [ 0.0238260600000000, 0.0238439000000000, -0.0002170200000000 ] - [ -0.0083026400000000, -0.0149551000000000, 0.0013712500000000 ] - [ -0.0080409500000000, -0.0149306300000000, 0.0014037900000000 ] - [ -0.0085404000000000, -0.0153076500000000, 0.0012345200000000 ] - [ -0.0076236400000000, -0.0155662400000000, 0.0015795400000000 ] - [ 0.0150357400000000, 0.0081648600000000, -0.0013749800000000 ] - [ 0.0146624900000000, 0.0083109700000000, -0.0012919600000000 ] - [ 0.0150112000000000, 0.0082240900000000, -0.0014514200000000 ] - [ 0.0149442400000000, 0.0076000300000000, -0.0012675300000000 ] - [ -0.0412368400000000, -0.0202522900000000, -0.0391969900000000 ] - [ -0.0145304700000000, -0.0079284500000000, -0.0005868800000000 ] - [ -0.0149564400000000, -0.0083702700000000, -0.0014724700000000 ] - [ -0.0149343900000000, -0.0083009100000000, -0.0014255400000000 ] - [ -0.0079507600000000, 0.0147160000000000, -0.0013716300000000 ] - [ -0.0081472300000000, 0.0150040300000000, -0.0016552600000000 ] - [ -0.0079854500000000, 0.0147222100000000, -0.0014666900000000 ] - [ -0.0081568100000000, 0.0149917300000000, -0.0014135700000000 ] - [ 0.0077627300000000, -0.0149343900000000, -0.0015164700000000 ] - [ 0.0085835800000000, -0.0147069700000000, -0.0013873500000000 ] - [ 0.0080844600000000, -0.0148812200000000, -0.0014686100000000 ] - [ 0.0084272800000000, -0.0150281500000000, -0.0011599400000000 ] - [ 0.0152028900000000, -0.0081647400000000, 0.0015719300000000 ] - [ 0.0148795100000000, -0.0083226900000000, 0.0014891500000000 ] - [ 0.0149987500000000, -0.0085050600000000, 0.0016435800000000 ] - [ 0.0149458000000000, -0.0081807600000000, 0.0014546000000000 ] - [ 0.0108914700000000, -0.0029338700000000, -0.0350117400000000 ] - [ -0.0154376000000000, 0.0083063400000000, 0.0020401200000000 ] - [ -0.0149595800000000, 0.0079522900000000, 0.0014376200000000 ] - [ -0.0150028700000000, 0.0081780900000000, 0.0014524800000000 ] - [ 0.0084413800000000, 0.0159103300000000, 0.0018889900000000 ] - [ 0.0082171300000000, 0.0148597300000000, 0.0014774600000000 ] - [ 0.0082872800000000, 0.0148905100000000, 0.0016227000000000 ] - [ 0.0082121400000000, 0.0149750500000000, 0.0015416700000000 ]- atom: 29 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0269219700000000, 0.0270234400000000, 0.0083432800000000 ] - [ -0.0268980900000000, 0.0270287500000000, 0.0083483200000000 ] - [ -0.0267265100000000, 0.0270704400000000, 0.0082192400000000 ] - [ -0.0269386700000000, 0.0269984500000000, 0.0084000600000000 ] - [ 0.0328272700000000, -0.0289835900000000, 0.0084915100000000 ] - [ 0.0324122100000000, -0.0252948700000000, 0.0083482700000000 ] - [ 0.0268622000000000, -0.0271448500000000, 0.0084323300000000 ] - [ 0.0269507900000000, -0.0269688100000000, 0.0083051400000000 ] - [ 0.0268437800000000, -0.0269388200000000, -0.0085237700000000 ] - [ 0.0270217100000000, -0.0268703400000000, -0.0084893900000000 ] - [ 0.0269788800000000, -0.0268640000000000, -0.0082360500000000 ] - [ 0.0270469800000000, -0.0269191600000000, -0.0083787700000000 ] - [ 0.0259400300000000, 0.0267317100000000, 0.0121000000000000 ] - [ 0.0268805600000000, 0.0268590900000000, 0.0084091100000000 ] - [ 0.0272916200000000, 0.0268220100000000, 0.0087487700000000 ] - [ 0.0269922600000000, 0.0269017600000000, 0.0083204900000000 ] - [ -0.0269446800000000, -0.0269794200000000, 0.0086875900000000 ] - [ -0.0271338200000000, -0.0268114400000000, 0.0082528200000000 ] - [ -0.0269556400000000, -0.0267910100000000, 0.0087015400000000 ] - [ -0.0270656100000000, -0.0268973500000000, 0.0082215600000000 ] - [ 0.0204134000000000, 0.0268526500000000, -0.0082864800000000 ] - [ 0.0258640800000000, 0.0270376000000000, -0.0083869700000000 ] - [ 0.0269231700000000, 0.0268995000000000, -0.0084222200000000 ] - [ 0.0268353600000000, 0.0270370100000000, -0.0083564800000000 ] - [ -0.0266941800000000, -0.0271253700000000, -0.0084895800000000 ] - [ -0.0267707100000000, -0.0269736500000000, -0.0083644200000000 ] - [ -0.0267874200000000, -0.0269980100000000, -0.0083952600000000 ] - [ -0.0268950100000000, -0.0270476800000000, -0.0083088600000000 ] - [ -0.1677493100000000, 0.0012041600000000, -0.0016842500000000 ] - [ 0.0017359500000000, 0.0013375100000000, 0.0000588400000000 ] - [ 0.0008320700000000, 0.0013370500000000, 0.0001472900000000 ] - [ 0.0013199700000000, 0.0012623600000000, -0.0000051000000000 ] - [ -0.0018961500000000, -0.0008667200000000, -0.0001224100000000 ] - [ -0.0018780500000000, -0.0018033200000000, -0.0000664700000000 ] - [ -0.0019288500000000, -0.0018068500000000, -0.0000077000000000 ] - [ -0.0019155200000000, -0.0005679800000000, -0.0001583000000000 ] - [ 0.0060780100000000, -0.0006620000000000, -0.0109723900000000 ] - [ 0.0059851000000000, -0.0017411100000000, 0.0106762600000000 ] - [ 0.0013026100000000, -0.0013136700000000, 0.0001147500000000 ] - [ 0.0013055700000000, -0.0012656900000000, -0.0000376100000000 ] - [ -0.0123058800000000, 0.0016840200000000, 0.0006901800000000 ] - [ -0.0011841900000000, 0.0012669500000000, -0.0000094400000000 ] - [ -0.0123056100000000, 0.0007098400000000, 0.0007819000000000 ] - [ -0.0011841700000000, 0.0013122400000000, 0.0000073500000000 ] - [ -0.0270218800000000, 0.0261112600000000, -0.0091452600000000 ] - [ -0.0272415300000000, 0.0268454000000000, -0.0083775100000000 ] - [ -0.0271290300000000, 0.0275169800000000, -0.0091111400000000 ] - [ -0.0271497600000000, 0.0269126500000000, -0.0084390900000000 ] - [ -0.0233309700000000, -0.0221442400000000, 0.0006751700000000 ] - [ -0.0233576000000000, -0.0250457900000000, -0.0003176000000000 ] - [ -0.0241226400000000, -0.0247907500000000, 0.0002307100000000 ] - [ -0.0238155800000000, -0.0233182100000000, -0.0000550600000000 ] - [ -0.0243927300000000, 0.0238190200000000, 0.0001382700000000 ] - [ -0.0238659200000000, 0.0240047200000000, -0.0000032400000000 ] - [ -0.0254139900000000, 0.0248908200000000, 0.0005823200000000 ] - [ -0.0236867800000000, 0.0239874800000000, -0.0000566800000000 ] - [ 0.0243778300000000, -0.0240551700000000, 0.0007666100000000 ] - [ 0.0238715800000000, -0.0240103500000000, -0.0014982400000000 ] - [ 0.0240597300000000, -0.0240007600000000, -0.0000824100000000 ] - [ 0.0240600700000000, -0.0240201600000000, 0.0001010200000000 ] - [ 0.0239950500000000, 0.0240848100000000, 0.0002823200000000 ] - [ 0.0240896500000000, 0.0239973000000000, 0.0000129500000000 ] - [ 0.0237520400000000, 0.0239884100000000, -0.0000114500000000 ] - [ 0.0242004000000000, 0.0240510300000000, 0.0000050200000000 ] - [ -0.0073151200000000, -0.0153673200000000, -0.0003374800000000 ] - [ -0.0079211400000000, -0.0144488000000000, 0.0030060800000000 ] - [ -0.0083052800000000, -0.0149205100000000, 0.0014069900000000 ] - [ -0.0082384100000000, -0.0150230000000000, 0.0013866600000000 ] - [ 0.0156813300000000, 0.0086852800000000, -0.0003493000000000 ] - [ 0.0737932900000000, 0.0081465000000000, 0.0292158000000000 ] - [ 0.0150136000000000, 0.0082466000000000, -0.0014689600000000 ] - [ 0.0149857900000000, 0.0081956200000000, -0.0014292500000000 ] - [ -0.0139867900000000, -0.0058648300000000, -0.0005600300000000 ] - [ -0.0149466100000000, -0.0081810300000000, -0.0013614400000000 ] - [ -0.0140255600000000, -0.0107340300000000, -0.0006044500000000 ] - [ -0.0150274100000000, -0.0081324500000000, -0.0013869900000000 ] - [ 0.0169643800000000, 0.0122803900000000, -0.0010650500000000 ] - [ -0.0085696600000000, 0.0148881700000000, -0.0013856100000000 ] - [ -0.0076978000000000, 0.0161647600000000, -0.0018157900000000 ] - [ -0.0084032100000000, 0.0149348700000000, -0.0013823000000000 ] - [ 0.0090584200000000, -0.0147882500000000, -0.0031500200000000 ] - [ 0.0086135900000000, -0.0152405000000000, 0.0002444200000000 ] - [ 0.0081454400000000, -0.0150008100000000, -0.0014906800000000 ] - [ 0.0082180000000000, -0.0149671200000000, -0.0015158700000000 ] - [ 0.0754240600000000, -0.0091088800000000, -0.0329206600000000 ] - [ 0.0154425800000000, -0.0086487200000000, 0.0003487100000000 ] - [ 0.0150120300000000, -0.0081814000000000, 0.0015070400000000 ] - [ 0.0149967900000000, -0.0082656500000000, 0.0014330500000000 ] - [ -0.0140939200000000, 0.0060906700000000, 0.0008332500000000 ] - [ -0.0149380200000000, 0.0082324000000000, 0.0013230300000000 ] - [ -0.0140842900000000, 0.0106028100000000, 0.0007602400000000 ] - [ -0.0150409300000000, 0.0080346400000000, 0.0013208400000000 ] - [ 0.0087513500000000, 0.0138851100000000, 0.0010788000000000 ] - [ 0.0080802100000000, 0.0150184600000000, 0.0014956500000000 ] - [ 0.0373257200000000, 0.0178262900000000, 0.0024785500000000 ] - [ 0.0076460900000000, 0.0150754600000000, 0.0015833400000000 ]- atom: 29 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0268490400000000, 0.0270197000000000, 0.0083963000000000 ] - [ -0.0268738000000000, 0.0270119300000000, 0.0083966600000000 ] - [ -0.0270447500000000, 0.0269706500000000, 0.0085252200000000 ] - [ -0.0268338100000000, 0.0270430100000000, 0.0083422200000000 ] - [ 0.0210800500000000, -0.0251031200000000, 0.0082479600000000 ] - [ 0.0212281100000000, -0.0287851500000000, 0.0083879900000000 ] - [ 0.0269099200000000, -0.0268968900000000, 0.0083082300000000 ] - [ 0.0268186700000000, -0.0270727300000000, 0.0084347900000000 ] - [ 0.0271981400000000, -0.0268338600000000, -0.0082173400000000 ] - [ 0.0270184400000000, -0.0269012600000000, -0.0082484400000000 ] - [ 0.0270622600000000, -0.0269065600000000, -0.0085020700000000 ] - [ 0.0269927600000000, -0.0268530200000000, -0.0083596200000000 ] - [ 0.0280538100000000, 0.0270407000000000, 0.0046490900000000 ] - [ 0.0271612800000000, 0.0269128600000000, 0.0083300100000000 ] - [ 0.0267548300000000, 0.0269499700000000, 0.0079922900000000 ] - [ 0.0270478200000000, 0.0268708600000000, 0.0084180500000000 ] - [ -0.0270960300000000, -0.0267909800000000, 0.0080550800000000 ] - [ -0.0269095900000000, -0.0269610800000000, 0.0084910300000000 ] - [ -0.0270865800000000, -0.0269791900000000, 0.0080440600000000 ] - [ -0.0269785700000000, -0.0268744700000000, 0.0085238900000000 ] - [ 0.0333579200000000, 0.0272318500000000, -0.0084273800000000 ] - [ 0.0279072900000000, 0.0270002600000000, -0.0083353600000000 ] - [ 0.0268490800000000, 0.0271420000000000, -0.0083195900000000 ] - [ 0.0269354600000000, 0.0270051900000000, -0.0083856100000000 ] - [ -0.0270788600000000, -0.0269160400000000, -0.0082526400000000 ] - [ -0.0270013800000000, -0.0270664800000000, -0.0083787500000000 ] - [ -0.0269834000000000, -0.0270434300000000, -0.0083484800000000 ] - [ -0.0268778400000000, -0.0269922700000000, -0.0084351600000000 ] - [ 0.1702776100000000, 0.0014155400000000, 0.0061610300000000 ] - [ 0.0008304400000000, 0.0012276100000000, -0.0000520400000000 ] - [ 0.0017323900000000, 0.0012272900000000, -0.0001423800000000 ] - [ 0.0012448300000000, 0.0013020000000000, 0.0000048000000000 ] - [ -0.0006569300000000, -0.0016940100000000, 0.0001262500000000 ] - [ -0.0006962700000000, -0.0007577600000000, 0.0000693700000000 ] - [ -0.0006276400000000, -0.0007612700000000, 0.0000100700000000 ] - [ -0.0006536900000000, -0.0019973300000000, 0.0001615300000000 ] - [ -0.0034206100000000, -0.0019045100000000, 0.0107815700000000 ] - [ -0.0035134000000000, -0.0008299000000000, -0.0108751200000000 ] - [ 0.0012591500000000, -0.0012510500000000, -0.0001151200000000 ] - [ 0.0012620300000000, -0.0012988000000000, 0.0000380600000000 ] - [ 0.0097280000000000, 0.0007727500000000, -0.0007535200000000 ] - [ -0.0013790500000000, 0.0012999200000000, 0.0000106800000000 ] - [ 0.0097285900000000, 0.0019521000000000, -0.0008318200000000 ] - [ -0.0013789600000000, 0.0012496300000000, -0.0000063600000000 ] - [ -0.0270027500000000, 0.0276592400000000, -0.0076025600000000 ] - [ -0.0267988200000000, 0.0269258300000000, -0.0083647300000000 ] - [ -0.0268984000000000, 0.0262551300000000, -0.0076397400000000 ] - [ -0.0268923000000000, 0.0268612500000000, -0.0083029300000000 ] - [ -0.0247114500000000, -0.0258656300000000, -0.0006613500000000 ] - [ -0.0246725800000000, -0.0229778600000000, 0.0003217100000000 ] - [ -0.0239285200000000, -0.0232572000000000, -0.0002226000000000 ] - [ -0.0242150600000000, -0.0247308200000000, 0.0000563900000000 ] - [ -0.0236432300000000, 0.0242186000000000, -0.0001334400000000 ] - [ -0.0241711900000000, 0.0240376700000000, 0.0000019700000000 ] - [ -0.0226182500000000, 0.0231280200000000, -0.0005798200000000 ] - [ -0.0243480300000000, 0.0240413500000000, 0.0000521300000000 ] - [ 0.0236465800000000, -0.0239804600000000, -0.0007545600000000 ] - [ 0.0241951500000000, -0.0240254800000000, 0.0015082600000000 ] - [ 0.0239737800000000, -0.0240365000000000, 0.0000819600000000 ] - [ 0.0239802700000000, -0.0240168300000000, -0.0001021900000000 ] - [ 0.0240392600000000, 0.0239492800000000, -0.0002976300000000 ] - [ 0.0239502100000000, 0.0240395700000000, -0.0000165600000000 ] - [ 0.0242835100000000, 0.0240500400000000, 0.0000072100000000 ] - [ 0.0238374200000000, 0.0239857600000000, -0.0000045000000000 ] - [ -0.0091070600000000, -0.0145738500000000, 0.0032259900000000 ] - [ -0.0085333500000000, -0.0154884400000000, -0.0001163700000000 ] - [ -0.0081275800000000, -0.0150198400000000, 0.0014877900000000 ] - [ -0.0082017300000000, -0.0149194100000000, 0.0015071800000000 ] - [ 0.0142380300000000, 0.0077596900000000, -0.0025555800000000 ] - [ -0.0457978400000000, 0.0083098400000000, -0.0339580900000000 ] - [ 0.0149263100000000, 0.0081896900000000, -0.0014239100000000 ] - [ 0.0149525100000000, 0.0082409600000000, -0.0014630700000000 ] - [ -0.0159261400000000, -0.0105681900000000, -0.0023427900000000 ] - [ -0.0149908600000000, -0.0082587400000000, -0.0015318300000000 ] - [ -0.0158879100000000, -0.0057137000000000, -0.0023004300000000 ] - [ -0.0149121300000000, -0.0083019400000000, -0.0015040600000000 ] - [ -0.0333648900000000, 0.0176501100000000, -0.0019917400000000 ] - [ -0.0078690600000000, 0.0150488100000000, -0.0015082400000000 ] - [ -0.0087419100000000, 0.0137885800000000, -0.0010605800000000 ] - [ -0.0080338100000000, 0.0150032900000000, -0.0015110800000000 ] - [ 0.0073873400000000, -0.0151474300000000, 0.0002543500000000 ] - [ 0.0078119800000000, -0.0146963400000000, -0.0031436800000000 ] - [ 0.0082955300000000, -0.0149379100000000, -0.0014031600000000 ] - [ 0.0082158600000000, -0.0149700900000000, -0.0013768400000000 ] - [ -0.0435418700000000, -0.0073257300000000, 0.0339183100000000 ] - [ 0.0145126300000000, -0.0077836900000000, 0.0025347400000000 ] - [ 0.0149272400000000, -0.0082542900000000, 0.0013881400000000 ] - [ 0.0149421500000000, -0.0081703600000000, 0.0014614000000000 ] - [ -0.0158677500000000, 0.0103457500000000, 0.0020483200000000 ] - [ -0.0150032600000000, 0.0082012600000000, 0.0015709800000000 ] - [ -0.0158765000000000, 0.0058305900000000, 0.0021206800000000 ] - [ -0.0148980700000000, 0.0084042700000000, 0.0015755000000000 ] - [ 0.0076835700000000, 0.0160372200000000, 0.0018279500000000 ] - [ 0.0083565200000000, 0.0149208900000000, 0.0013978100000000 ] - [ -0.0208621300000000, 0.0120993000000000, 0.0002970800000000 ] - [ 0.0087899300000000, 0.0148640300000000, 0.0013087800000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0268914900000000, 0.0271305800000000, 0.0083815400000000 ] - [ -0.0269412800000000, 0.0269799800000000, 0.0081774800000000 ] - [ -0.0268873500000000, 0.0271602600000000, 0.0080837900000000 ] - [ -0.0269074300000000, 0.0270108400000000, 0.0083065000000000 ] - [ 0.0264236700000000, -0.0266718000000000, 0.0073364800000000 ] - [ 0.0271400100000000, -0.0268118900000000, 0.0069650600000000 ] - [ 0.0268900100000000, -0.0269970600000000, 0.0083847200000000 ] - [ 0.0269602700000000, -0.0270583900000000, 0.0084632700000000 ] - [ 0.0269086200000000, -0.0268797100000000, -0.0083604300000000 ] - [ 0.0268855400000000, -0.0268839200000000, -0.0086574800000000 ] - [ 0.0270610700000000, -0.0268321900000000, -0.0085606100000000 ] - [ 0.0270300800000000, -0.0268654800000000, -0.0084324400000000 ] - [ 0.0309267900000000, 0.0266450500000000, 0.0230797600000000 ] - [ 0.0270180100000000, 0.0268435600000000, 0.0084945800000000 ] - [ 0.0266280600000000, 0.0269184500000000, 0.0078790000000000 ] - [ 0.0270415700000000, 0.0268692600000000, 0.0083902400000000 ] - [ -0.0269853800000000, -0.0266969200000000, 0.0082889900000000 ] - [ -0.0271161700000000, -0.0267856900000000, 0.0083371200000000 ] - [ -0.0269269100000000, -0.0269697400000000, 0.0082819500000000 ] - [ -0.0271088300000000, -0.0269117400000000, 0.0083394700000000 ] - [ 0.0271254400000000, 0.0231727300000000, 0.0060341200000000 ] - [ 0.0268516800000000, 0.0274157500000000, -0.0088515600000000 ] - [ 0.0269277400000000, 0.0270224200000000, -0.0082447300000000 ] - [ 0.0269021600000000, 0.0269994000000000, -0.0083483000000000 ] - [ -0.0270788500000000, -0.0270578100000000, -0.0084532100000000 ] - [ -0.0268032400000000, -0.0271146500000000, -0.0084552900000000 ] - [ -0.0269866500000000, -0.0269234700000000, -0.0084020200000000 ] - [ -0.0268613400000000, -0.0269318800000000, -0.0083979500000000 ] - [ -0.0027557500000000, 0.0050900700000000, -0.2133371100000000 ] - [ 0.0013375300000000, 0.0011365900000000, -0.0005576500000000 ] - [ 0.0014262200000000, 0.0012269500000000, -0.0005615300000000 ] - [ 0.0012773600000000, 0.0012872800000000, -0.0000256400000000 ] - [ -0.0011569700000000, -0.0014059600000000, -0.0001634500000000 ] - [ -0.0012136000000000, -0.0012894300000000, -0.0004610100000000 ] - [ -0.0012715900000000, -0.0013495500000000, -0.0004584400000000 ] - [ -0.0011226900000000, -0.0014424900000000, -0.0004490700000000 ] - [ -0.0094081700000000, -0.0020819400000000, 0.0056308300000000 ] - [ 0.0120701200000000, -0.0019965500000000, 0.0056199300000000 ] - [ 0.0013195300000000, -0.0012887700000000, -0.0000582200000000 ] - [ 0.0011677200000000, -0.0012722300000000, -0.0000577000000000 ] - [ -0.0004683100000000, 0.0121434800000000, 0.0056961100000000 ] - [ -0.0012750900000000, 0.0012439100000000, -0.0000586300000000 ] - [ -0.0005526500000000, -0.0096841400000000, 0.0057068100000000 ] - [ -0.0012921800000000, 0.0013976000000000, -0.0000591400000000 ] - [ -0.0273662200000000, 0.0273230900000000, -0.0094611400000000 ] - [ -0.0270442200000000, 0.0268814300000000, -0.0083540900000000 ] - [ -0.0272311300000000, 0.0266571400000000, -0.0098241300000000 ] - [ -0.0269832200000000, 0.0268117300000000, -0.0082759100000000 ] - [ -0.0232100000000000, -0.0248188400000000, -0.0014001600000000 ] - [ -0.0239407400000000, -0.0247632100000000, -0.0004945100000000 ] - [ -0.0232732600000000, -0.0240940000000000, -0.0004962700000000 ] - [ -0.0243971800000000, -0.0236357900000000, -0.0001863800000000 ] - [ -0.0238146400000000, 0.0227145000000000, -0.0001912400000000 ] - [ -0.0240446300000000, 0.0239308800000000, 0.0000245800000000 ] - [ -0.0240149900000000, 0.0262527100000000, 0.0005566900000000 ] - [ -0.0239757800000000, 0.0240545500000000, 0.0000765900000000 ] - [ 0.0253413100000000, -0.0242261300000000, -0.0001896300000000 ] - [ 0.0217702700000000, -0.0240196500000000, 0.0005574900000000 ] - [ 0.0241055300000000, -0.0239904400000000, 0.0000240500000000 ] - [ 0.0239807300000000, -0.0240587800000000, 0.0000768200000000 ] - [ 0.0236575300000000, 0.0243781900000000, 0.0025216400000000 ] - [ 0.0241055300000000, 0.0240263300000000, 0.0001269800000000 ] - [ 0.0240081900000000, 0.0239318200000000, 0.0001272300000000 ] - [ 0.0240045700000000, 0.0240318600000000, 0.0000173700000000 ] - [ -0.0085054100000000, -0.0144793700000000, 0.0024411800000000 ] - [ -0.0083392500000000, -0.0143974100000000, 0.0021320400000000 ] - [ -0.0082000000000000, -0.0151274300000000, 0.0015135100000000 ] - [ -0.0082055600000000, -0.0151387700000000, 0.0013971600000000 ] - [ 0.0134113100000000, 0.0081212000000000, -0.0016689300000000 ] - [ 0.0465209600000000, 0.0078136300000000, 0.0388410800000000 ] - [ 0.0149269700000000, 0.0082096800000000, -0.0014345700000000 ] - [ 0.0150439300000000, 0.0082894200000000, -0.0015093300000000 ] - [ -0.0154603000000000, -0.0079350300000000, -0.0004655900000000 ] - [ -0.0148101900000000, -0.0082375600000000, -0.0013785600000000 ] - [ -0.0155435800000000, -0.0080975100000000, -0.0007766000000000 ] - [ -0.0148006200000000, -0.0082300200000000, -0.0014966600000000 ] - [ -0.0088309000000000, 0.0480142000000000, 0.0407472800000000 ] - [ -0.0082160200000000, 0.0149264100000000, -0.0015482400000000 ] - [ -0.0080111900000000, 0.0136352400000000, -0.0016795100000000 ] - [ -0.0081945400000000, 0.0149495000000000, -0.0014636600000000 ] - [ 0.0078532500000000, -0.0150017300000000, -0.0006259300000000 ] - [ 0.0084363600000000, -0.0153932400000000, -0.0005784500000000 ] - [ 0.0081973500000000, -0.0149073100000000, -0.0014261600000000 ] - [ 0.0082287200000000, -0.0148795400000000, -0.0015026900000000 ] - [ -0.0166138500000000, -0.0075405000000000, 0.0421357000000000 ] - [ 0.0163290600000000, -0.0084321700000000, 0.0012079500000000 ] - [ 0.0150150000000000, -0.0082209900000000, 0.0013449300000000 ] - [ 0.0149893800000000, -0.0082417100000000, 0.0014295200000000 ] - [ -0.0149425700000000, 0.0085870100000000, 0.0022563600000000 ] - [ -0.0150324500000000, 0.0082389900000000, 0.0014685200000000 ] - [ -0.0145485600000000, 0.0079914100000000, 0.0023040700000000 ] - [ -0.0150581300000000, 0.0082062400000000, 0.0013896400000000 ] - [ 0.0083117200000000, 0.0165029700000000, 0.0012279300000000 ] - [ 0.0082255600000000, 0.0150126000000000, 0.0014586600000000 ] - [ 0.0086929300000000, -0.0180084300000000, 0.0431720500000000 ] - [ 0.0081456300000000, 0.0148921200000000, 0.0013851800000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0263594800000000, 0.0267359300000000, 0.0075920200000000 ] - [ -0.0271060500000000, 0.0271605000000000, 0.0086740600000000 ] - [ -0.0268728100000000, 0.0268901100000000, 0.0082570700000000 ] - [ -0.0268925000000000, 0.0271155800000000, 0.0085388400000000 ] - [ 0.0271026900000000, -0.0271025000000000, 0.0085500300000000 ] - [ 0.0265442400000000, -0.0271390500000000, 0.0082929200000000 ] - [ 0.0277864900000000, -0.0263687700000000, 0.0087139300000000 ] - [ 0.0265682600000000, -0.0270356700000000, 0.0081767100000000 ] - [ 0.0271517900000000, -0.0268930200000000, -0.0085274200000000 ] - [ 0.0268515300000000, -0.0268842300000000, -0.0082695800000000 ] - [ 0.0271518900000000, -0.0267929000000000, -0.0086010100000000 ] - [ 0.0269521400000000, -0.0269140400000000, -0.0082436900000000 ] - [ 0.0275039100000000, 0.0264007300000000, 0.0091436500000000 ] - [ 0.0267515100000000, 0.0278566500000000, 0.0072746600000000 ] - [ 0.0276110700000000, 0.0274968300000000, 0.0092768600000000 ] - [ 0.0266378000000000, 0.0259475600000000, 0.0070982800000000 ] - [ -0.0261632600000000, -0.0266751000000000, 0.0086348500000000 ] - [ -0.0273561400000000, -0.0268682900000000, 0.0084708500000000 ] - [ -0.0268631900000000, -0.0268972200000000, 0.0082989400000000 ] - [ -0.0271935900000000, -0.0268908500000000, 0.0084083300000000 ] - [ 0.0270594400000000, 0.0264399800000000, -0.0082883100000000 ] - [ 0.0267967200000000, 0.0273249300000000, -0.0084705400000000 ] - [ 0.0271497300000000, 0.0269524800000000, -0.0078729800000000 ] - [ 0.0267375100000000, 0.0270476600000000, -0.0085707800000000 ] - [ -0.0257083500000000, -0.0267620400000000, -0.0063712000000000 ] - [ -0.0272299400000000, -0.0268495000000000, -0.0081012200000000 ] - [ -0.0267035600000000, -0.0270639700000000, -0.0084007200000000 ] - [ -0.0270382000000000, -0.0269969400000000, -0.0083684500000000 ] - [ 0.0019707100000000, 0.0031333200000000, 0.0007969500000000 ] - [ 0.0019394700000000, 0.0005113400000000, 0.0000752100000000 ] - [ 0.0011865800000000, 0.0002506100000000, 0.0007422000000000 ] - [ 0.0014818700000000, 0.0019914100000000, -0.0003822800000000 ] - [ -0.0013059000000000, -0.0012152300000000, 0.0003603900000000 ] - [ -0.0012127000000000, -0.0013133100000000, -0.0000872900000000 ] - [ -0.0015488900000000, -0.0013037000000000, 0.0000093400000000 ] - [ -0.0011011700000000, -0.0012500500000000, 0.0000139400000000 ] - [ -0.0001192600000000, -0.0012880600000000, -0.0000006000000000 ] - [ 0.0016137600000000, -0.0012812600000000, -0.0000414400000000 ] - [ 0.0009068000000000, -0.0012466100000000, -0.0002051300000000 ] - [ 0.0014350600000000, -0.0013003300000000, 0.0000271200000000 ] - [ -0.0014439500000000, 0.0004056400000000, -0.0022312800000000 ] - [ -0.0009167300000000, 0.0014842900000000, 0.0013200800000000 ] - [ -0.0012424800000000, 0.0013096400000000, -0.0000373800000000 ] - [ -0.0012405200000000, 0.0012988400000000, 0.0000878700000000 ] - [ -0.0258339000000000, 0.0260818000000000, -0.0058438200000000 ] - [ -0.0199964300000000, 0.0285926800000000, -0.0098573000000000 ] - [ -0.0271596600000000, 0.0268488100000000, -0.0086115000000000 ] - [ -0.0268933900000000, 0.0269508300000000, -0.0081936800000000 ] - [ -0.0437681400000000, -0.0295730300000000, -0.0013865000000000 ] - [ -0.0214195300000000, -0.0239425500000000, 0.0001472600000000 ] - [ -0.0248739200000000, -0.0239438200000000, 0.0000674400000000 ] - [ -0.0234296400000000, -0.0239444900000000, -0.0000544000000000 ] - [ -0.0224579300000000, 0.0230539000000000, 0.0027934800000000 ] - [ -0.0224498200000000, 0.0249510200000000, -0.0031537500000000 ] - [ -0.0238023200000000, 0.0244168000000000, 0.0003671300000000 ] - [ -0.0238052700000000, 0.0234969500000000, -0.0005277900000000 ] - [ 0.0228460500000000, -0.0249419000000000, 0.0006857700000000 ] - [ 0.0254945500000000, -0.0234977900000000, -0.0003902800000000 ] - [ 0.0228462000000000, -0.0230529700000000, 0.0009756200000000 ] - [ 0.0254927900000000, -0.0244156500000000, -0.0003569100000000 ] - [ 0.0238176400000000, 0.0237894800000000, -0.0004060800000000 ] - [ 0.0241432400000000, 0.0240788300000000, 0.0002974200000000 ] - [ 0.0240181600000000, 0.0240771700000000, -0.0005053600000000 ] - [ 0.0240319700000000, 0.0240775100000000, 0.0003924900000000 ] - [ -0.0075186500000000, -0.0151280400000000, 0.0014521000000000 ] - [ -0.0086330400000000, -0.0148982100000000, 0.0013856000000000 ] - [ -0.0074763500000000, -0.0151332100000000, 0.0013390300000000 ] - [ -0.0088088200000000, -0.0149186900000000, 0.0013830200000000 ] - [ 0.0150192400000000, 0.0089995500000000, -0.0016336600000000 ] - [ 0.0151807300000000, 0.0079884900000000, -0.0014392100000000 ] - [ 0.0151202700000000, 0.0080002200000000, -0.0014992500000000 ] - [ 0.0151047700000000, 0.0085837700000000, -0.0015585000000000 ] - [ -0.0146706200000000, -0.0080438500000000, -0.0014566800000000 ] - [ -0.0152097200000000, -0.0084614400000000, -0.0008678000000000 ] - [ -0.0148697000000000, -0.0082836800000000, -0.0013738400000000 ] - [ -0.0150476100000000, -0.0081845600000000, -0.0015250000000000 ] - [ -0.0051653100000000, 0.0184135600000000, -0.0057400300000000 ] - [ -0.0091333500000000, 0.0130502000000000, -0.0000363000000000 ] - [ -0.0080872600000000, 0.0149653700000000, -0.0015690800000000 ] - [ -0.0083741600000000, 0.0149833000000000, -0.0013141100000000 ] - [ 0.0092691900000000, -0.0148855200000000, -0.0013844100000000 ] - [ 0.0075300200000000, -0.0150621300000000, -0.0014721400000000 ] - [ 0.0086097300000000, -0.0147923800000000, -0.0014045300000000 ] - [ 0.0079103900000000, -0.0150293900000000, -0.0014823600000000 ] - [ 0.0150572200000000, -0.0069035700000000, 0.0026531300000000 ] - [ 0.0150358500000000, -0.0081144600000000, 0.0014527400000000 ] - [ 0.0147776000000000, -0.0078654300000000, 0.0012006900000000 ] - [ 0.0152026800000000, -0.0084463700000000, 0.0015426400000000 ] - [ -0.0159837900000000, 0.0087851000000000, 0.0013419700000000 ] - [ -0.0145691600000000, 0.0080268600000000, 0.0014609800000000 ] - [ -0.0150958700000000, 0.0081347800000000, 0.0015623200000000 ] - [ -0.0149009500000000, 0.0081599000000000, 0.0013610400000000 ] - [ 0.0072181600000000, 0.0134894800000000, 0.0001119300000000 ] - [ 0.0080974400000000, 0.0162363600000000, 0.0025733000000000 ] - [ 0.0083014300000000, 0.0149931600000000, 0.0012157500000000 ] - [ 0.0080366700000000, 0.0148158700000000, 0.0015176300000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0274191000000000, 0.0273065400000000, 0.0091505500000000 ] - [ -0.0266620400000000, 0.0268819700000000, 0.0080690000000000 ] - [ -0.0268997300000000, 0.0271510400000000, 0.0084807900000000 ] - [ -0.0268786000000000, 0.0269261600000000, 0.0081996400000000 ] - [ 0.0266555100000000, -0.0269573400000000, 0.0081817900000000 ] - [ 0.0272264100000000, -0.0269028400000000, 0.0084471700000000 ] - [ 0.0259751300000000, -0.0276699800000000, 0.0080239900000000 ] - [ 0.0272035400000000, -0.0270066400000000, 0.0085647800000000 ] - [ 0.0268918700000000, -0.0268852100000000, -0.0082175600000000 ] - [ 0.0271887300000000, -0.0268879400000000, -0.0084698900000000 ] - [ 0.0268927100000000, -0.0269745500000000, -0.0081439600000000 ] - [ 0.0270882600000000, -0.0268578400000000, -0.0084954400000000 ] - [ 0.0265306600000000, 0.0273708400000000, 0.0075948100000000 ] - [ 0.0272895300000000, 0.0259241300000000, 0.0094536500000000 ] - [ 0.0264226800000000, 0.0262691800000000, 0.0074533500000000 ] - [ 0.0273988900000000, 0.0278169200000000, 0.0096325500000000 ] - [ -0.0278821700000000, -0.0271085100000000, 0.0081303200000000 ] - [ -0.0266857700000000, -0.0269040200000000, 0.0082676200000000 ] - [ -0.0271777500000000, -0.0268751100000000, 0.0084390900000000 ] - [ -0.0268477400000000, -0.0268807300000000, 0.0083301000000000 ] - [ 0.0267057100000000, 0.0276064900000000, -0.0084543100000000 ] - [ 0.0269774600000000, 0.0267196400000000, -0.0082699500000000 ] - [ 0.0266173400000000, 0.0270897600000000, -0.0088697400000000 ] - [ 0.0270383400000000, 0.0269945600000000, -0.0081719200000000 ] - [ -0.0280954800000000, -0.0272829200000000, -0.0103848300000000 ] - [ -0.0265414700000000, -0.0271937500000000, -0.0086416000000000 ] - [ -0.0270686200000000, -0.0269773000000000, -0.0083362800000000 ] - [ -0.0267339100000000, -0.0270449300000000, -0.0083709700000000 ] - [ 0.0005896200000000, -0.0005891700000000, -0.0008119900000000 ] - [ 0.0006239100000000, 0.0020440400000000, -0.0000779400000000 ] - [ 0.0013801300000000, 0.0023178800000000, -0.0007477000000000 ] - [ 0.0010818700000000, 0.0005779100000000, 0.0003791500000000 ] - [ -0.0012600300000000, -0.0013496600000000, -0.0003602500000000 ] - [ -0.0013505000000000, -0.0012503600000000, 0.0000863900000000 ] - [ -0.0010157900000000, -0.0012600500000000, -0.0000087700000000 ] - [ -0.0014626000000000, -0.0013144100000000, -0.0000133700000000 ] - [ 0.0026758700000000, -0.0012718800000000, 0.0000042400000000 ] - [ 0.0009518600000000, -0.0012836100000000, 0.0000416400000000 ] - [ 0.0016557800000000, -0.0013202800000000, 0.0002064100000000 ] - [ 0.0011291100000000, -0.0012635200000000, -0.0000270900000000 ] - [ -0.0011188700000000, 0.0021673300000000, 0.0022512800000000 ] - [ -0.0016465400000000, 0.0010835600000000, -0.0013068000000000 ] - [ -0.0013208700000000, 0.0012547100000000, 0.0000364600000000 ] - [ -0.0013246800000000, 0.0012647700000000, -0.0000866300000000 ] - [ -0.0284070200000000, 0.0277166400000000, -0.0109155700000000 ] - [ -0.0336022300000000, 0.0252692400000000, -0.0068818600000000 ] - [ -0.0268821600000000, 0.0269225800000000, -0.0081251400000000 ] - [ -0.0271462100000000, 0.0268218700000000, -0.0085418900000000 ] - [ -0.0043113300000000, -0.0184686000000000, 0.0013119000000000 ] - [ -0.0266120300000000, -0.0240899500000000, -0.0001497800000000 ] - [ -0.0231577100000000, -0.0240912000000000, -0.0000685400000000 ] - [ -0.0246057800000000, -0.0240918200000000, 0.0000540300000000 ] - [ -0.0255822400000000, 0.0249883700000000, -0.0028146700000000 ] - [ -0.0255741000000000, 0.0230955000000000, 0.0031229200000000 ] - [ -0.0242282000000000, 0.0236206800000000, -0.0003654900000000 ] - [ -0.0242311500000000, 0.0245375800000000, 0.0005253200000000 ] - [ 0.0251840100000000, -0.0230864600000000, -0.0006901700000000 ] - [ 0.0225430300000000, -0.0245384000000000, 0.0003903500000000 ] - [ 0.0251841700000000, -0.0249872800000000, -0.0009808600000000 ] - [ 0.0225412700000000, -0.0236194800000000, 0.0003579600000000 ] - [ 0.0242222800000000, 0.0242496700000000, 0.0004103900000000 ] - [ 0.0238890200000000, 0.0239584900000000, -0.0002939400000000 ] - [ 0.0240200900000000, 0.0239568500000000, 0.0005100600000000 ] - [ 0.0240009000000000, 0.0239574600000000, -0.0003889000000000 ] - [ -0.0089145800000000, -0.0148104500000000, 0.0014428900000000 ] - [ -0.0078038200000000, -0.0150413700000000, 0.0015082000000000 ] - [ -0.0089637200000000, -0.0148090600000000, 0.0015586400000000 ] - [ -0.0076265800000000, -0.0150206400000000, 0.0015110000000000 ] - [ 0.0149242900000000, 0.0074266300000000, -0.0012591000000000 ] - [ 0.0147558100000000, 0.0084487800000000, -0.0014548000000000 ] - [ 0.0148139000000000, 0.0084307200000000, -0.0013908200000000 ] - [ 0.0148342400000000, 0.0078511800000000, -0.0013348900000000 ] - [ -0.0152690600000000, -0.0083903100000000, -0.0014339500000000 ] - [ -0.0147328200000000, -0.0079737700000000, -0.0020220600000000 ] - [ -0.0150698100000000, -0.0081518400000000, -0.0015196900000000 ] - [ -0.0148926800000000, -0.0082515300000000, -0.0013690700000000 ] - [ -0.0114071500000000, 0.0114381600000000, 0.0029510500000000 ] - [ -0.0073084500000000, 0.0168652800000000, -0.0028437800000000 ] - [ -0.0083511200000000, 0.0149748300000000, -0.0013223600000000 ] - [ -0.0080596700000000, 0.0149557400000000, -0.0015810000000000 ] - [ 0.0071634800000000, -0.0150477200000000, -0.0015038000000000 ] - [ 0.0089053400000000, -0.0148774800000000, -0.0014213000000000 ] - [ 0.0078265600000000, -0.0151481400000000, -0.0014872900000000 ] - [ 0.0085254900000000, -0.0149102900000000, -0.0014114000000000 ] - [ 0.0149009600000000, -0.0095492900000000, 0.0002421700000000 ] - [ 0.0149036200000000, -0.0083188900000000, 0.0014407900000000 ] - [ 0.0151686600000000, -0.0085726000000000, 0.0016960200000000 ] - [ 0.0147366500000000, -0.0079900000000000, 0.0013518000000000 ] - [ -0.0139439500000000, 0.0076463700000000, 0.0015515700000000 ] - [ -0.0153701200000000, 0.0084086800000000, 0.0014322200000000 ] - [ -0.0148425500000000, 0.0083015500000000, 0.0013303400000000 ] - [ -0.0150381300000000, 0.0082771000000000, 0.0015322700000000 ] - [ 0.0092087000000000, 0.0164792700000000, 0.0028033100000000 ] - [ 0.0083503000000000, 0.0137140700000000, 0.0003232900000000 ] - [ 0.0081322900000000, 0.0149461300000000, 0.0016809400000000 ] - [ 0.0084006800000000, 0.0151222600000000, 0.0013749100000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0258270600000000, 0.0266165500000000, 0.0066347100000000 ] - [ -0.0280734700000000, 0.0264976100000000, 0.0066140000000000 ] - [ -0.0269070500000000, 0.0270782200000000, 0.0082417200000000 ] - [ -0.0268226100000000, 0.0269891500000000, 0.0082412700000000 ] - [ 0.0265018600000000, -0.0256552700000000, 0.0086794500000000 ] - [ 0.0268470300000000, -0.0270310800000000, 0.0088157500000000 ] - [ 0.0267890900000000, -0.0267280100000000, 0.0092585800000000 ] - [ 0.0269022800000000, -0.0271226400000000, 0.0085886600000000 ] - [ 0.0274236000000000, -0.0279352800000000, -0.0100967700000000 ] - [ 0.0269633100000000, -0.0268643000000000, -0.0084964900000000 ] - [ 0.0275475600000000, -0.0256999900000000, -0.0101191000000000 ] - [ 0.0270524900000000, -0.0269497200000000, -0.0084970500000000 ] - [ 0.0273660700000000, 0.0267856000000000, 0.0083620600000000 ] - [ 0.0269670800000000, 0.0268716600000000, 0.0083755300000000 ] - [ 0.0271862500000000, 0.0268357600000000, 0.0084426900000000 ] - [ 0.0270950300000000, 0.0269311400000000, 0.0084950600000000 ] - [ -0.0272740300000000, -0.0301623200000000, 0.0191275400000000 ] - [ -0.0270515200000000, -0.0269541700000000, 0.0082673300000000 ] - [ -0.0270595000000000, -0.0267901800000000, 0.0083958500000000 ] - [ -0.0269569600000000, -0.0269125700000000, 0.0082888300000000 ] - [ 0.0269826100000000, 0.0266805700000000, -0.0083882400000000 ] - [ 0.0269364900000000, 0.0268586500000000, -0.0083005900000000 ] - [ 0.0268971900000000, 0.0270739100000000, -0.0083672700000000 ] - [ 0.0268426400000000, 0.0269459600000000, -0.0082480400000000 ] - [ -0.0234453000000000, -0.0267610800000000, 0.0029701500000000 ] - [ -0.0269825500000000, -0.0269794700000000, -0.0083363600000000 ] - [ -0.0268162300000000, -0.0269913100000000, -0.0084698400000000 ] - [ -0.0268594100000000, -0.0270843000000000, -0.0084488900000000 ] - [ 0.0019507300000000, 0.0006142200000000, -0.0013997200000000 ] - [ 0.0009608100000000, 0.0010555200000000, -0.0004951500000000 ] - [ 0.0015089500000000, 0.0016001800000000, -0.0004948600000000 ] - [ 0.0012258600000000, 0.0013373600000000, -0.0001859900000000 ] - [ -0.0015693100000000, -0.0009894200000000, 0.0025216400000000 ] - [ -0.0012971200000000, -0.0012919400000000, 0.0001274300000000 ] - [ -0.0012733000000000, -0.0012675700000000, 0.0001271800000000 ] - [ -0.0012867900000000, -0.0012772000000000, 0.0000179200000000 ] - [ 0.0007006700000000, 0.0002084400000000, 0.0005619300000000 ] - [ 0.0013368100000000, -0.0013836900000000, 0.0000773500000000 ] - [ 0.0011450600000000, -0.0020394700000000, -0.0001881600000000 ] - [ 0.0012847000000000, -0.0011998000000000, 0.0000250500000000 ] - [ -0.0027984000000000, 0.0018628000000000, 0.0005529800000000 ] - [ -0.0005182500000000, 0.0014168100000000, -0.0001918400000000 ] - [ -0.0011805300000000, 0.0012280100000000, 0.0000765900000000 ] - [ -0.0013643000000000, 0.0012794900000000, 0.0000243200000000 ] - [ -0.0283862200000000, 0.0272652800000000, -0.0080577200000000 ] - [ -0.0273245000000000, 0.0269738500000000, -0.0074778000000000 ] - [ -0.0270107100000000, 0.0269249200000000, -0.0079207000000000 ] - [ -0.0269185200000000, 0.0268694800000000, -0.0081498400000000 ] - [ -0.0253912500000000, -0.0226892200000000, -0.0370213500000000 ] - [ -0.0238683400000000, -0.0240837800000000, -0.0000744200000000 ] - [ -0.0239477800000000, -0.0241654200000000, -0.0000743200000000 ] - [ -0.0240719700000000, -0.0239635100000000, -0.0000000300000000 ] - [ -0.0208922900000000, 0.0230428000000000, 0.0015926000000000 ] - [ -0.0268096700000000, 0.0233332200000000, 0.0015898300000000 ] - [ -0.0234901000000000, 0.0243776900000000, 0.0001562000000000 ] - [ -0.0243840100000000, 0.0244088600000000, 0.0001557200000000 ] - [ 0.0249993700000000, -0.0271688900000000, 0.0015902600000000 ] - [ 0.0236628500000000, -0.0245431600000000, 0.0001535100000000 ] - [ 0.0247092300000000, -0.0212014100000000, 0.0015929600000000 ] - [ 0.0236282600000000, -0.0236512700000000, 0.0001539400000000 ] - [ 0.0244222300000000, 0.0236057500000000, 0.0011969700000000 ] - [ 0.0237245300000000, 0.0235090800000000, 0.0004016400000000 ] - [ 0.0245244200000000, 0.0243159800000000, 0.0004014600000000 ] - [ 0.0236284300000000, 0.0244098500000000, 0.0000758600000000 ] - [ -0.0082206600000000, -0.0148129400000000, 0.0015688300000000 ] - [ -0.0082350200000000, -0.0149623100000000, 0.0014731700000000 ] - [ -0.0084818100000000, -0.0161748900000000, 0.0029048400000000 ] - [ -0.0082321300000000, -0.0149242200000000, 0.0013821400000000 ] - [ 0.0148154300000000, 0.0079725200000000, -0.0015115700000000 ] - [ 0.0148571000000000, 0.0085681100000000, -0.0015809900000000 ] - [ 0.0150614000000000, 0.0081503100000000, -0.0012785100000000 ] - [ 0.0150090700000000, 0.0081259200000000, -0.0014806600000000 ] - [ -0.0151280100000000, -0.0082157200000000, -0.0013222800000000 ] - [ -0.0137763300000000, -0.0079737800000000, 0.0000482400000000 ] - [ -0.0149770000000000, -0.0082018000000000, -0.0014202200000000 ] - [ -0.0150146800000000, -0.0082021900000000, -0.0015119000000000 ] - [ -0.0099663000000000, 0.0137355300000000, -0.0003069500000000 ] - [ -0.0084199900000000, 0.0147098400000000, -0.0012385500000000 ] - [ -0.0084499100000000, 0.0148724000000000, -0.0015313800000000 ] - [ -0.0081697700000000, 0.0150390600000000, -0.0014956500000000 ] - [ 0.0074879100000000, -0.0136779200000000, -0.0000388300000000 ] - [ 0.0083023400000000, -0.0150404200000000, -0.0014676200000000 ] - [ 0.0082236400000000, -0.0150352100000000, -0.0013308800000000 ] - [ 0.0082225900000000, -0.0149522600000000, -0.0014090700000000 ] - [ 0.0161857600000000, -0.0065168000000000, 0.0025967100000000 ] - [ 0.0150667900000000, -0.0079874300000000, 0.0013632500000000 ] - [ 0.0152335200000000, -0.0080203500000000, 0.0016593800000000 ] - [ 0.0149001700000000, -0.0082666500000000, 0.0013985400000000 ] - [ -0.0162719200000000, 0.0089511800000000, 0.0028761200000000 ] - [ -0.0149035500000000, 0.0082114800000000, 0.0015602500000000 ] - [ -0.0148991400000000, 0.0081333900000000, 0.0014267800000000 ] - [ -0.0149871300000000, 0.0082132100000000, 0.0014842800000000 ] - [ 0.0084565600000000, 0.0151270100000000, 0.0013777600000000 ] - [ 0.0082793500000000, 0.0148770300000000, 0.0016095500000000 ] - [ 0.0078676900000000, 0.0150810200000000, 0.0013109600000000 ] - [ 0.0083095900000000, 0.0149299700000000, 0.0014123100000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0268494900000000, 0.0269079200000000, 0.0084532300000000 ] - [ -0.0269440100000000, 0.0269848800000000, 0.0081920400000000 ] - [ -0.0267658100000000, 0.0275678800000000, 0.0087078500000000 ] - [ -0.0269887700000000, 0.0266620300000000, 0.0077633400000000 ] - [ 0.0268052300000000, -0.0268910600000000, 0.0085969100000000 ] - [ 0.0271070700000000, -0.0269260700000000, 0.0083684400000000 ] - [ 0.0267488100000000, -0.0271137900000000, 0.0084379300000000 ] - [ 0.0270631400000000, -0.0270556700000000, 0.0083631300000000 ] - [ 0.0423391400000000, -0.0113081100000000, -0.0201510600000000 ] - [ 0.0273497900000000, -0.0268179800000000, -0.0085220900000000 ] - [ 0.0268048500000000, -0.0267049800000000, -0.0080715000000000 ] - [ 0.0271272400000000, -0.0269359800000000, -0.0084532300000000 ] - [ 0.0270809200000000, 0.0269130200000000, 0.0086562400000000 ] - [ 0.0271904400000000, 0.0269426500000000, 0.0083177000000000 ] - [ 0.0269386100000000, 0.0268905500000000, 0.0083326500000000 ] - [ 0.0271207500000000, 0.0268064400000000, 0.0084745400000000 ] - [ -0.0271328400000000, -0.0268464900000000, 0.0084548400000000 ] - [ -0.0269348000000000, -0.0268833700000000, 0.0083284300000000 ] - [ -0.0129197600000000, -0.0117873400000000, -0.0024862900000000 ] - [ -0.0263463900000000, -0.0268767400000000, 0.0081025500000000 ] - [ 0.0271256400000000, 0.0270199500000000, -0.0087404700000000 ] - [ 0.0270332400000000, 0.0274038700000000, -0.0079142600000000 ] - [ 0.0271210900000000, 0.0273158100000000, -0.0085778100000000 ] - [ 0.0269538300000000, 0.0265212200000000, -0.0082365200000000 ] - [ -0.0269650400000000, -0.0273749200000000, -0.0081413000000000 ] - [ -0.0267961100000000, -0.0270295300000000, -0.0083082100000000 ] - [ -0.0264581100000000, -0.0269010800000000, -0.0081053400000000 ] - [ -0.0261252900000000, -0.0271029100000000, -0.0083037500000000 ] - [ 0.0021793900000000, 0.0036358100000000, -0.0002926900000000 ] - [ 0.0015854300000000, -0.0012257900000000, -0.0001306700000000 ] - [ 0.0011932500000000, 0.0013192800000000, 0.0000179200000000 ] - [ 0.0012645200000000, 0.0013666900000000, 0.0000121400000000 ] - [ -0.0007503600000000, -0.0008185500000000, -0.0000911300000000 ] - [ -0.0014202000000000, -0.0012532900000000, -0.0000078800000000 ] - [ 0.0278131800000000, -0.0013376900000000, -0.0003783200000000 ] - [ -0.0018545800000000, -0.0013046000000000, 0.0000735800000000 ] - [ 0.0264296600000000, -0.0004277700000000, 0.0005691300000000 ] - [ 0.0009314900000000, -0.0013178800000000, -0.0000022700000000 ] - [ 0.0018050900000000, -0.0008509600000000, -0.0002147500000000 ] - [ 0.0010970400000000, -0.0012348200000000, -0.0000238900000000 ] - [ -0.0012824300000000, 0.0014675600000000, 0.0000111700000000 ] - [ -0.0013571100000000, 0.0012680700000000, -0.0000203300000000 ] - [ -0.0008798200000000, -0.0011078900000000, 0.0002319500000000 ] - [ -0.0004484600000000, 0.0034063200000000, -0.0003586700000000 ] - [ -0.0269503700000000, 0.0268152900000000, -0.0083153600000000 ] - [ -0.0271069300000000, 0.0269793000000000, -0.0083732700000000 ] - [ -0.0268897300000000, 0.0269049700000000, -0.0084610400000000 ] - [ -0.0269932700000000, 0.0268006100000000, -0.0077472900000000 ] - [ -0.0233190100000000, -0.0238469300000000, -0.0000044600000000 ] - [ -0.0244325200000000, -0.0240839200000000, -0.0000167600000000 ] - [ -0.0232738800000000, -0.0242633200000000, -0.0002516700000000 ] - [ -0.0246097100000000, -0.0239845200000000, -0.0000156500000000 ] - [ -0.0241750700000000, 0.0242453900000000, -0.0000488900000000 ] - [ -0.0238856600000000, 0.0239142200000000, 0.0002303900000000 ] - [ -0.0249278000000000, 0.0236691800000000, 0.0001939400000000 ] - [ -0.0208359400000000, 0.0226718100000000, 0.0017535700000000 ] - [ 0.0250709600000000, -0.0245857000000000, -0.0007306800000000 ] - [ 0.0233305300000000, -0.0239344600000000, 0.0000848700000000 ] - [ 0.0244098700000000, -0.0238284500000000, 0.0000063000000000 ] - [ 0.0237104600000000, -0.0239593100000000, 0.0000055800000000 ] - [ 0.0230145400000000, 0.0248070800000000, -0.0002436200000000 ] - [ 0.0238846400000000, 0.0237971100000000, -0.0000594000000000 ] - [ 0.0241022300000000, 0.0237858800000000, 0.0003498000000000 ] - [ 0.0238366500000000, 0.0243846100000000, -0.0000916300000000 ] - [ -0.0856642100000000, -0.0446652900000000, 0.0262981300000000 ] - [ -0.0072825800000000, -0.0151270500000000, 0.0016074100000000 ] - [ -0.0082024600000000, -0.0144677100000000, 0.0015423300000000 ] - [ -0.0079656000000000, -0.0149981400000000, 0.0015030800000000 ] - [ 0.0121820000000000, 0.0166988100000000, 0.0015421700000000 ] - [ 0.0152414500000000, 0.0077945600000000, -0.0014006300000000 ] - [ 0.0149520700000000, 0.0077959900000000, -0.0014449100000000 ] - [ 0.0149418200000000, 0.0083419700000000, -0.0012966700000000 ] - [ -0.0150077100000000, -0.0084498300000000, -0.0014852300000000 ] - [ -0.0148155000000000, -0.0081885700000000, -0.0014005800000000 ] - [ -0.0150261400000000, -0.0081875400000000, -0.0017850900000000 ] - [ -0.0190267700000000, -0.0163938800000000, -0.0044078800000000 ] - [ -0.0082958200000000, 0.0148504000000000, -0.0014167500000000 ] - [ -0.0082990500000000, 0.0151049300000000, -0.0015011700000000 ] - [ -0.0082425300000000, 0.0150186300000000, -0.0014044300000000 ] - [ -0.0082472200000000, 0.0150640100000000, -0.0014776500000000 ] - [ 0.0054072500000000, -0.0158666400000000, -0.0036424500000000 ] - [ 0.0086748800000000, -0.0149123800000000, -0.0013917300000000 ] - [ 0.0053925000000000, -0.0157489600000000, -0.0040798400000000 ] - [ 0.0086755400000000, -0.0148508200000000, -0.0013566200000000 ] - [ 0.0110725000000000, -0.0166666200000000, -0.0010996700000000 ] - [ 0.0153171800000000, -0.0077431700000000, 0.0014917800000000 ] - [ 0.0150401800000000, -0.0084187700000000, 0.0015259600000000 ] - [ 0.0148823600000000, -0.0082968600000000, 0.0013643200000000 ] - [ -0.0151144400000000, 0.0077435100000000, 0.0016213700000000 ] - [ -0.0150215000000000, 0.0082965700000000, 0.0014835000000000 ] - [ -0.0183263100000000, 0.0166666000000000, 0.0042784300000000 ] - [ -0.0151559700000000, 0.0084189800000000, 0.0015448500000000 ] - [ 0.0083133400000000, 0.0149773500000000, 0.0014210900000000 ] - [ 0.0083297100000000, 0.0149342200000000, 0.0014038700000000 ] - [ 0.0102636400000000, 0.0151263900000000, 0.0014261300000000 ] - [ 0.0100579300000000, 0.0148957700000000, 0.0013388600000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0269237100000000, 0.0271366300000000, 0.0082852100000000 ] - [ -0.0268261800000000, 0.0270563600000000, 0.0085471200000000 ] - [ -0.0270066800000000, 0.0264731000000000, 0.0080512000000000 ] - [ -0.0267747200000000, 0.0273734500000000, 0.0089748800000000 ] - [ 0.0269665400000000, -0.0271571000000000, 0.0081540500000000 ] - [ 0.0266657000000000, -0.0271168000000000, 0.0083708100000000 ] - [ 0.0270222800000000, -0.0269270000000000, 0.0083000300000000 ] - [ 0.0267092200000000, -0.0269860400000000, 0.0083748300000000 ] - [ 0.0115680800000000, -0.0423891500000000, 0.0033250700000000 ] - [ 0.0266876900000000, -0.0269526200000000, -0.0082170200000000 ] - [ 0.0272344400000000, -0.0270700400000000, -0.0086589800000000 ] - [ 0.0269139200000000, -0.0268368200000000, -0.0082865200000000 ] - [ 0.0269600700000000, 0.0268584900000000, 0.0080821700000000 ] - [ 0.0268508100000000, 0.0268296800000000, 0.0084227500000000 ] - [ 0.0271029400000000, 0.0268823700000000, 0.0084054700000000 ] - [ 0.0269205800000000, 0.0269651400000000, 0.0082646600000000 ] - [ -0.0269062300000000, -0.0269202300000000, 0.0082719200000000 ] - [ -0.0271063900000000, -0.0268874100000000, 0.0084099600000000 ] - [ -0.0409393400000000, -0.0420253500000000, 0.0192839800000000 ] - [ -0.0276866300000000, -0.0268959400000000, 0.0086351900000000 ] - [ 0.0266377600000000, 0.0270335000000000, -0.0080047900000000 ] - [ 0.0267522700000000, 0.0266549400000000, -0.0088273400000000 ] - [ 0.0266511200000000, 0.0267248500000000, -0.0081614500000000 ] - [ 0.0268176800000000, 0.0275136400000000, -0.0085029400000000 ] - [ -0.0268075800000000, -0.0266645800000000, -0.0086011900000000 ] - [ -0.0269761800000000, -0.0270122900000000, -0.0084314800000000 ] - [ -0.0273145200000000, -0.0271351000000000, -0.0086380500000000 ] - [ -0.0276473000000000, -0.0269421200000000, -0.0084466000000000 ] - [ 0.0003872300000000, -0.0010679300000000, 0.0002774400000000 ] - [ 0.0009729500000000, 0.0037945600000000, 0.0001112800000000 ] - [ 0.0013706500000000, 0.0012416800000000, -0.0000194900000000 ] - [ 0.0013010100000000, 0.0011968000000000, -0.0000124700000000 ] - [ -0.0018180500000000, -0.0017437900000000, 0.0000990800000000 ] - [ -0.0011433000000000, -0.0013097400000000, 0.0000081000000000 ] - [ -0.0303743700000000, -0.0011746100000000, 0.0004997900000000 ] - [ -0.0007100500000000, -0.0012587800000000, -0.0000702400000000 ] - [ -0.0239007300000000, -0.0022111200000000, -0.0007223200000000 ] - [ 0.0016322000000000, -0.0012446600000000, 0.0000026300000000 ] - [ 0.0007605200000000, -0.0017157500000000, 0.0002059100000000 ] - [ 0.0014663200000000, -0.0013297200000000, 0.0000234200000000 ] - [ -0.0012842600000000, 0.0010972100000000, -0.0000114800000000 ] - [ -0.0012067600000000, 0.0012991500000000, 0.0000213700000000 ] - [ -0.0016810400000000, 0.0036642000000000, -0.0002129500000000 ] - [ -0.0021192800000000, -0.0008491800000000, 0.0003748800000000 ] - [ -0.0270907000000000, 0.0269561800000000, -0.0084225400000000 ] - [ -0.0269341300000000, 0.0267921000000000, -0.0083639200000000 ] - [ -0.0271511000000000, 0.0268671800000000, -0.0082762600000000 ] - [ -0.0270490400000000, 0.0269695900000000, -0.0089870800000000 ] - [ -0.0247150100000000, -0.0241932000000000, 0.0000007700000000 ] - [ -0.0236035500000000, -0.0239517500000000, 0.0000162000000000 ] - [ -0.0247614200000000, -0.0237754200000000, 0.0002561700000000 ] - [ -0.0234276900000000, -0.0240513000000000, 0.0000141700000000 ] - [ -0.0238608200000000, 0.0237889100000000, 0.0000485200000000 ] - [ -0.0241501200000000, 0.0241184200000000, -0.0002318000000000 ] - [ -0.0231026900000000, 0.0243760500000000, -0.0002057700000000 ] - [ -0.0270778700000000, 0.0253184400000000, -0.0016964200000000 ] - [ 0.0229648900000000, -0.0234473900000000, 0.0007326600000000 ] - [ 0.0247051200000000, -0.0241012400000000, -0.0000836500000000 ] - [ 0.0236266400000000, -0.0242102500000000, -0.0000052200000000 ] - [ 0.0243250700000000, -0.0240762000000000, -0.0000045000000000 ] - [ 0.0250039900000000, 0.0232336900000000, 0.0002401900000000 ] - [ 0.0241378200000000, 0.0242274600000000, 0.0000693200000000 ] - [ 0.0239323300000000, 0.0242458900000000, -0.0003504800000000 ] - [ 0.0242003100000000, 0.0236518400000000, 0.0000921100000000 ] - [ 0.0690947500000000, 0.0147714000000000, -0.0233716600000000 ] - [ -0.0091517100000000, -0.0148140200000000, 0.0012890100000000 ] - [ -0.0082336200000000, -0.0154730800000000, 0.0013501200000000 ] - [ -0.0084701000000000, -0.0149418300000000, 0.0013912200000000 ] - [ 0.0177568600000000, -0.0002762700000000, -0.0043733200000000 ] - [ 0.0147045100000000, 0.0086427900000000, -0.0014902500000000 ] - [ 0.0149871900000000, 0.0086443000000000, -0.0014483600000000 ] - [ 0.0149966500000000, 0.0080959900000000, -0.0015969700000000 ] - [ -0.0149320300000000, -0.0079852800000000, -0.0014076000000000 ] - [ -0.0151214700000000, -0.0082525200000000, -0.0014953700000000 ] - [ -0.0149155600000000, -0.0082514300000000, -0.0011227100000000 ] - [ -0.0109005900000000, -0.0000443900000000, 0.0014318000000000 ] - [ -0.0081380600000000, 0.0150861000000000, -0.0014811200000000 ] - [ -0.0081412800000000, 0.0148312600000000, -0.0013960700000000 ] - [ -0.0081882900000000, 0.0149220700000000, -0.0014853400000000 ] - [ -0.0081930400000000, 0.0148785300000000, -0.0014117500000000 ] - [ 0.0110489100000000, -0.0141470200000000, 0.0007460700000000 ] - [ 0.0077605100000000, -0.0150280200000000, -0.0015031300000000 ] - [ 0.0110341500000000, -0.0141061100000000, 0.0011962000000000 ] - [ 0.0077611500000000, -0.0150864000000000, -0.0015357500000000 ] - [ 0.0188578600000000, 0.0002216200000000, 0.0040651200000000 ] - [ 0.0146154600000000, -0.0086899000000000, 0.0014021800000000 ] - [ 0.0148963500000000, -0.0080130700000000, 0.0013695800000000 ] - [ 0.0150566600000000, -0.0081389000000000, 0.0015291300000000 ] - [ -0.0148223500000000, 0.0086901700000000, 0.0012759700000000 ] - [ -0.0149190700000000, 0.0081388500000000, 0.0014103300000000 ] - [ -0.0116183000000000, -0.0002218900000000, -0.0014642400000000 ] - [ -0.0147784900000000, 0.0080130700000000, 0.0013409500000000 ] - [ 0.0081222300000000, 0.0149619200000000, 0.0014725900000000 ] - [ 0.0081070400000000, 0.0150058000000000, 0.0014898500000000 ] - [ 0.0061868600000000, 0.0148137200000000, 0.0014669600000000 ] - [ 0.0063661400000000, 0.0150416400000000, 0.0015562300000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0268312000000000, 0.0270196700000000, 0.0083554500000000 ] - [ -0.0268777500000000, 0.0269674700000000, 0.0083286400000000 ] - [ -0.0269704500000000, 0.0272575800000000, 0.0087093700000000 ] - [ -0.0269764200000000, 0.0273931200000000, 0.0089730900000000 ] - [ 0.0270232100000000, -0.0266384100000000, 0.0093062200000000 ] - [ 0.0267586000000000, -0.0269452300000000, 0.0082564300000000 ] - [ 0.0268687700000000, -0.0272251500000000, 0.0082906100000000 ] - [ 0.0269301400000000, -0.0270597300000000, 0.0083750900000000 ] - [ 0.0414344400000000, 0.0249139900000000, -0.0349366700000000 ] - [ 0.0270239400000000, -0.0268979200000000, -0.0083561700000000 ] - [ 0.0260616700000000, -0.0273915800000000, -0.0079172400000000 ] - [ 0.0269882600000000, -0.0268932900000000, -0.0083339600000000 ] - [ 0.0271343900000000, 0.0268997500000000, 0.0083992100000000 ] - [ 0.0267690100000000, 0.0269362700000000, 0.0086035000000000 ] - [ 0.0270619500000000, 0.0268426400000000, 0.0083443700000000 ] - [ 0.0269990100000000, 0.0268650200000000, 0.0082794600000000 ] - [ -0.0278039600000000, -0.0274197400000000, 0.0088383100000000 ] - [ -0.0270475600000000, -0.0269020500000000, 0.0084024300000000 ] - [ -0.0125330800000000, 0.0229993500000000, -0.0162103800000000 ] - [ -0.0271406600000000, -0.0268573900000000, 0.0083615600000000 ] - [ 0.0266878600000000, 0.0270359900000000, -0.0081104800000000 ] - [ 0.0266791200000000, 0.0269246600000000, -0.0083386000000000 ] - [ 0.0268666600000000, 0.0267507600000000, -0.0084291000000000 ] - [ 0.0268894600000000, 0.0270640800000000, -0.0082824200000000 ] - [ -0.0267814700000000, -0.0273880300000000, -0.0081228800000000 ] - [ -0.0268915400000000, -0.0270324800000000, -0.0083923700000000 ] - [ -0.0266542700000000, -0.0262821300000000, -0.0081169000000000 ] - [ -0.0270966500000000, -0.0270540400000000, -0.0084014200000000 ] - [ 0.0008786600000000, 0.0022610600000000, 0.0005036600000000 ] - [ 0.0018074500000000, 0.0022141700000000, 0.0005830500000000 ] - [ 0.0013323800000000, 0.0013026100000000, -0.0001582200000000 ] - [ 0.0012305300000000, 0.0012244500000000, -0.0001669900000000 ] - [ -0.0023714100000000, -0.0005586400000000, -0.0015629300000000 ] - [ -0.0012327900000000, -0.0012377000000000, -0.0000427300000000 ] - [ 0.0015338700000000, 0.0574362800000000, 0.0312299500000000 ] - [ -0.0011764200000000, -0.0012647400000000, 0.0000760800000000 ] - [ 0.0040272100000000, 0.0592527100000000, 0.0333610900000000 ] - [ 0.0013620100000000, -0.0012394600000000, -0.0000443500000000 ] - [ 0.0001047400000000, -0.0008131400000000, -0.0013337200000000 ] - [ 0.0013162000000000, -0.0012545100000000, -0.0000196100000000 ] - [ -0.0012831900000000, 0.0012080500000000, -0.0000911400000000 ] - [ -0.0012524400000000, 0.0013156100000000, -0.0000629500000000 ] - [ -0.0010133300000000, 0.0021747000000000, 0.0004123300000000 ] - [ -0.0014563600000000, 0.0021616500000000, 0.0000183500000000 ] - [ -0.0270660400000000, 0.0268570100000000, -0.0084362000000000 ] - [ -0.0270235800000000, 0.0268522100000000, -0.0084113300000000 ] - [ -0.0272635800000000, 0.0269158600000000, -0.0080644000000000 ] - [ -0.0268356300000000, 0.0269487200000000, -0.0083496400000000 ] - [ -0.0241765900000000, -0.0237189400000000, 0.0001568100000000 ] - [ -0.0239466600000000, -0.0239167600000000, 0.0000080000000000 ] - [ -0.0241806500000000, -0.0242571100000000, -0.0011973900000000 ] - [ -0.0239674100000000, -0.0240961200000000, 0.0000449200000000 ] - [ -0.0240327000000000, 0.0242531400000000, 0.0000693200000000 ] - [ -0.0240156300000000, 0.0240815900000000, -0.0000987700000000 ] - [ -0.0221235800000000, 0.0238167500000000, -0.0002553700000000 ] - [ -0.0274522000000000, 0.0240826100000000, -0.0012005200000000 ] - [ 0.0239370900000000, -0.0250398700000000, -0.0012994800000000 ] - [ 0.0241109000000000, -0.0241426900000000, 0.0000695600000000 ] - [ 0.0238405800000000, -0.0236194500000000, 0.0000655800000000 ] - [ 0.0240777800000000, -0.0239509100000000, -0.0000172900000000 ] - [ 0.0224969000000000, 0.0240853400000000, -0.0001679300000000 ] - [ 0.0252817600000000, 0.0241775700000000, 0.0000895800000000 ] - [ 0.0240446000000000, 0.0242292900000000, -0.0001113000000000 ] - [ 0.0238652900000000, 0.0241516900000000, 0.0000396100000000 ] - [ -0.0379788600000000, -0.2650673000000000, -0.0013394500000000 ] - [ -0.0083740600000000, -0.0149466800000000, 0.0014903800000000 ] - [ -0.0077155100000000, -0.0163121500000000, 0.0018468900000000 ] - [ -0.0082464000000000, -0.0149366100000000, 0.0014112100000000 ] - [ 0.0143602500000000, 0.0054251300000000, -0.0037810200000000 ] - [ 0.0149973800000000, 0.0081988500000000, -0.0012783300000000 ] - [ 0.0149940100000000, 0.0084799600000000, -0.0016411500000000 ] - [ 0.0148696600000000, 0.0081906700000000, -0.0014321100000000 ] - [ -0.0150258700000000, -0.0082565600000000, -0.0014342400000000 ] - [ -0.0145696500000000, -0.0082733000000000, -0.0014026100000000 ] - [ -0.0145794100000000, -0.0080651900000000, -0.0014435900000000 ] - [ -0.0149605700000000, -0.0122617900000000, -0.0043007600000000 ] - [ -0.0083595500000000, 0.0149808000000000, -0.0012343300000000 ] - [ -0.0080966200000000, 0.0149805200000000, -0.0013365600000000 ] - [ -0.0083131200000000, 0.0149768800000000, -0.0013581500000000 ] - [ -0.0082620900000000, 0.0149759900000000, -0.0012953700000000 ] - [ 0.0090246500000000, 0.0051734400000000, -0.0005274200000000 ] - [ 0.0080999400000000, -0.0150323200000000, -0.0014418600000000 ] - [ 0.0090930100000000, 0.0047570500000000, -0.0010314400000000 ] - [ 0.0081603400000000, -0.0150334500000000, -0.0014548700000000 ] - [ 0.0156017100000000, -0.0115955200000000, -0.0019069700000000 ] - [ 0.0150815400000000, -0.0083667800000000, 0.0016305500000000 ] - [ 0.0150992000000000, -0.0084088100000000, 0.0015667100000000 ] - [ 0.0149577500000000, -0.0082686500000000, 0.0014464100000000 ] - [ -0.0150815700000000, 0.0085759100000000, 0.0012489400000000 ] - [ -0.0149594300000000, 0.0081311300000000, 0.0014613400000000 ] - [ -0.0155944100000000, 0.0043369900000000, -0.0011641500000000 ] - [ -0.0151005100000000, 0.0082899100000000, 0.0015059000000000 ] - [ 0.0082250800000000, 0.0149517900000000, 0.0014687000000000 ] - [ 0.0081834700000000, 0.0149313000000000, 0.0014842900000000 ] - [ 0.0083733000000000, 0.0148546400000000, 0.0013533700000000 ] - [ 0.0081471300000000, 0.0148379500000000, 0.0013788400000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0269408300000000, 0.0270216400000000, 0.0083870200000000 ] - [ -0.0268930700000000, 0.0270764700000000, 0.0084112400000000 ] - [ -0.0268020700000000, 0.0267816700000000, 0.0080394800000000 ] - [ -0.0267896900000000, 0.0266464200000000, 0.0077786800000000 ] - [ 0.0267476500000000, -0.0274080100000000, 0.0074401800000000 ] - [ 0.0270120800000000, -0.0270940700000000, 0.0084807500000000 ] - [ 0.0269035900000000, -0.0268155000000000, 0.0084471100000000 ] - [ 0.0268385400000000, -0.0269815500000000, 0.0083669200000000 ] - [ 0.0134668100000000, -0.0769773900000000, 0.0165979200000000 ] - [ 0.0270203900000000, -0.0268741300000000, -0.0083856900000000 ] - [ 0.0279827000000000, -0.0263562700000000, -0.0088068400000000 ] - [ 0.0270511500000000, -0.0268775700000000, -0.0084059800000000 ] - [ 0.0269062700000000, 0.0268723400000000, 0.0083444300000000 ] - [ 0.0272698900000000, 0.0268346100000000, 0.0081394200000000 ] - [ 0.0269777600000000, 0.0269304000000000, 0.0083948400000000 ] - [ 0.0270416900000000, 0.0269086100000000, 0.0084620600000000 ] - [ -0.0262367400000000, -0.0263668300000000, 0.0078912800000000 ] - [ -0.0269928200000000, -0.0268689100000000, 0.0083382800000000 ] - [ -0.0423549900000000, -0.0784660200000000, 0.0345716100000000 ] - [ -0.0269077600000000, -0.0269142000000000, 0.0083810800000000 ] - [ 0.0270826500000000, 0.0270025500000000, -0.0086367000000000 ] - [ 0.0270886500000000, 0.0271137500000000, -0.0084088200000000 ] - [ 0.0268991100000000, 0.0272915100000000, -0.0083090100000000 ] - [ 0.0268808300000000, 0.0269830000000000, -0.0084628600000000 ] - [ -0.0269898400000000, -0.0266555500000000, -0.0086152100000000 ] - [ -0.0268806700000000, -0.0270094300000000, -0.0083498500000000 ] - [ -0.0271178400000000, -0.0277626300000000, -0.0086262400000000 ] - [ -0.0266725500000000, -0.0269832100000000, -0.0083309100000000 ] - [ 0.0016728000000000, 0.0003225700000000, -0.0004777600000000 ] - [ 0.0007687100000000, 0.0003528700000000, -0.0005636000000000 ] - [ 0.0012341200000000, 0.0012593900000000, 0.0001589300000000 ] - [ 0.0013346100000000, 0.0013408800000000, 0.0001711800000000 ] - [ -0.0002196400000000, -0.0020031100000000, 0.0015293000000000 ] - [ -0.0013309200000000, -0.0013261700000000, 0.0000427700000000 ] - [ -0.0041939600000000, -0.0621583700000000, -0.0333083800000000 ] - [ -0.0013883600000000, -0.0012986600000000, -0.0000755300000000 ] - [ -0.0013424000000000, -0.0597172900000000, -0.0312743300000000 ] - [ 0.0012020000000000, -0.0013247700000000, 0.0000443800000000 ] - [ 0.0024816600000000, -0.0017443400000000, 0.0013605000000000 ] - [ 0.0012484100000000, -0.0013104300000000, 0.0000199200000000 ] - [ -0.0012810200000000, 0.0013520800000000, 0.0000869200000000 ] - [ -0.0013156000000000, 0.0012515300000000, 0.0000619500000000 ] - [ -0.0015579600000000, 0.0003834300000000, -0.0004327600000000 ] - [ -0.0010979200000000, 0.0003885300000000, -0.0000411700000000 ] - [ -0.0269753400000000, 0.0269141500000000, -0.0083053400000000 ] - [ -0.0270166800000000, 0.0269192900000000, -0.0083295200000000 ] - [ -0.0267758900000000, 0.0268569000000000, -0.0086798100000000 ] - [ -0.0272039100000000, 0.0268245500000000, -0.0083993900000000 ] - [ -0.0238599000000000, -0.0243183800000000, -0.0001581200000000 ] - [ -0.0240903700000000, -0.0241187000000000, -0.0000069100000000 ] - [ -0.0238573700000000, -0.0237810800000000, 0.0012012500000000 ] - [ -0.0240701300000000, -0.0239420200000000, -0.0000456000000000 ] - [ -0.0240058500000000, 0.0237872100000000, -0.0000694700000000 ] - [ -0.0240259600000000, 0.0239494500000000, 0.0000957700000000 ] - [ -0.0259393800000000, 0.0242089100000000, 0.0002687000000000 ] - [ -0.0204773600000000, 0.0239270700000000, 0.0012503000000000 ] - [ 0.0240995300000000, -0.0230021300000000, 0.0012948200000000 ] - [ 0.0239268200000000, -0.0238917500000000, -0.0000702700000000 ] - [ 0.0241970000000000, -0.0244219100000000, -0.0000650600000000 ] - [ 0.0239597100000000, -0.0240889200000000, 0.0000168900000000 ] - [ 0.0254875100000000, 0.0239899000000000, 0.0001443800000000 ] - [ 0.0227601400000000, 0.0238715600000000, -0.0000943900000000 ] - [ 0.0239982000000000, 0.0238046300000000, 0.0001130500000000 ] - [ 0.0241727800000000, 0.0238815700000000, -0.0000394700000000 ] - [ 0.0214808200000000, 0.2351813500000000, 0.0041749900000000 ] - [ -0.0080614700000000, -0.0149931000000000, 0.0014036300000000 ] - [ -0.0087211700000000, -0.0136268400000000, 0.0010441400000000 ] - [ -0.0081904100000000, -0.0150028900000000, 0.0014829800000000 ] - [ 0.0155625600000000, 0.0110004500000000, 0.0008340100000000 ] - [ 0.0149473900000000, 0.0082343700000000, -0.0016136400000000 ] - [ 0.0149441400000000, 0.0079434900000000, -0.0012438700000000 ] - [ 0.0150735900000000, 0.0082459500000000, -0.0014658900000000 ] - [ -0.0149127700000000, -0.0081809800000000, -0.0014582900000000 ] - [ -0.0153567600000000, -0.0081629200000000, -0.0014960200000000 ] - [ -0.0153663100000000, -0.0083714400000000, -0.0014537800000000 ] - [ -0.0149906400000000, -0.0041351500000000, 0.0014541100000000 ] - [ -0.0080861400000000, 0.0149554400000000, -0.0016547000000000 ] - [ -0.0083326600000000, 0.0149551400000000, -0.0015549600000000 ] - [ -0.0081278700000000, 0.0149652900000000, -0.0015363000000000 ] - [ -0.0081658200000000, 0.0149644400000000, -0.0016016400000000 ] - [ 0.0073833600000000, -0.0347031800000000, -0.0023111200000000 ] - [ 0.0083359400000000, -0.0149062900000000, -0.0014519500000000 ] - [ 0.0073749600000000, -0.0351195400000000, -0.0019081400000000 ] - [ 0.0082763700000000, -0.0149074200000000, -0.0014398500000000 ] - [ 0.0143379200000000, -0.0048867100000000, 0.0047425300000000 ] - [ 0.0148566100000000, -0.0080747300000000, 0.0012651200000000 ] - [ 0.0148303200000000, -0.0080313200000000, 0.0013289100000000 ] - [ 0.0149808400000000, -0.0081663100000000, 0.0014473100000000 ] - [ -0.0148564800000000, 0.0078745300000000, 0.0016429100000000 ] - [ -0.0149822900000000, 0.0083060000000000, 0.0014327800000000 ] - [ -0.0143303400000000, 0.0121227600000000, 0.0041033600000000 ] - [ -0.0148318300000000, 0.0081463500000000, 0.0013838000000000 ] - [ 0.0082097900000000, 0.0149874500000000, 0.0014254600000000 ] - [ 0.0082552800000000, 0.0150073600000000, 0.0014094700000000 ] - [ 0.0080608700000000, 0.0150827900000000, 0.0015383800000000 ] - [ 0.0082932000000000, 0.0151055100000000, 0.0015179100000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0268915000000000, 0.0270395900000000, 0.0084463900000000 ] - [ -0.0267721600000000, 0.0270554400000000, 0.0084138000000000 ] - [ -0.0263003500000000, 0.0272746800000000, 0.0086018900000000 ] - [ -0.0270772400000000, 0.0268614600000000, 0.0082569000000000 ] - [ 0.0267115600000000, -0.0273566700000000, 0.0079354400000000 ] - [ 0.0268644600000000, -0.0270020000000000, 0.0083366600000000 ] - [ 0.0268029100000000, -0.0270869700000000, 0.0081941300000000 ] - [ 0.0269790400000000, -0.0270127000000000, 0.0082723300000000 ] - [ 0.0156046000000000, -0.0603095800000000, 0.0282863000000000 ] - [ 0.0270925100000000, -0.0269169500000000, -0.0083436600000000 ] - [ 0.0270499900000000, -0.0283879900000000, -0.0092214500000000 ] - [ 0.0270450900000000, -0.0268884000000000, -0.0083896800000000 ] - [ 0.0268799400000000, 0.0269340900000000, 0.0081748000000000 ] - [ 0.0270226700000000, 0.0268213400000000, 0.0082449900000000 ] - [ 0.0269750700000000, 0.0269012100000000, 0.0083630000000000 ] - [ 0.0270882800000000, 0.0269325100000000, 0.0083272800000000 ] - [ -0.0266529900000000, -0.0283312600000000, 0.0077802500000000 ] - [ -0.0269798100000000, -0.0268753300000000, 0.0083633000000000 ] - [ -0.0393603200000000, -0.0616411300000000, 0.0448540900000000 ] - [ -0.0267628400000000, -0.0268558900000000, 0.0083786200000000 ] - [ 0.0268314800000000, 0.0270448000000000, -0.0084347000000000 ] - [ 0.0268338400000000, 0.0271458500000000, -0.0083024100000000 ] - [ 0.0272650600000000, 0.0273558700000000, -0.0086587800000000 ] - [ 0.0268939500000000, 0.0269266300000000, -0.0083468400000000 ] - [ -0.0269497800000000, -0.0270235900000000, -0.0083510200000000 ] - [ -0.0268406100000000, -0.0270445500000000, -0.0084014700000000 ] - [ -0.0269131900000000, -0.0269526700000000, -0.0084403900000000 ] - [ -0.0267501900000000, -0.0269724400000000, -0.0081620900000000 ] - [ -0.0005072300000000, 0.0003667800000000, 0.0010030800000000 ] - [ 0.0028371200000000, 0.0004216600000000, 0.0006852100000000 ] - [ 0.0012418600000000, 0.0011977400000000, 0.0000689400000000 ] - [ 0.0012215900000000, 0.0012233700000000, -0.0000495800000000 ] - [ -0.0008971000000000, -0.0001472100000000, -0.0002274500000000 ] - [ -0.0013310500000000, -0.0013045900000000, 0.0000127000000000 ] - [ -0.0022884900000000, 0.0295780600000000, 0.0401885300000000 ] - [ -0.0014199700000000, -0.0012641000000000, -0.0000620100000000 ] - [ 0.0007490400000000, 0.0328818800000000, 0.0423131000000000 ] - [ 0.0012217800000000, -0.0013436100000000, -0.0001010400000000 ] - [ 0.0016477500000000, -0.0002248000000000, -0.0002251400000000 ] - [ 0.0012175100000000, -0.0012674700000000, -0.0000174000000000 ] - [ -0.0013525400000000, 0.0011541200000000, -0.0000563600000000 ] - [ -0.0013252700000000, 0.0011571500000000, 0.0000211400000000 ] - [ 0.0004142000000000, 0.0006186100000000, 0.0008522300000000 ] - [ -0.0029718800000000, 0.0006976000000000, 0.0007975300000000 ] - [ -0.0269942100000000, 0.0269471500000000, -0.0084408100000000 ] - [ -0.0270197500000000, 0.0269194100000000, -0.0083642900000000 ] - [ -0.0270141000000000, 0.0268560400000000, -0.0085258000000000 ] - [ -0.0271191900000000, 0.0268673800000000, -0.0085538700000000 ] - [ -0.0240132000000000, -0.0240120300000000, 0.0001221500000000 ] - [ -0.0240793200000000, -0.0240915500000000, 0.0000269800000000 ] - [ -0.0241291600000000, -0.0246029300000000, 0.0014925800000000 ] - [ -0.0240819900000000, -0.0239390200000000, -0.0000632300000000 ] - [ -0.0241520700000000, 0.0239203400000000, -0.0000473100000000 ] - [ -0.0238930100000000, 0.0240132000000000, -0.0000811000000000 ] - [ -0.0254345200000000, 0.0242672200000000, 0.0002144800000000 ] - [ -0.0196072200000000, 0.0227956200000000, 0.0011669800000000 ] - [ 0.0240755400000000, -0.0241280200000000, 0.0014192600000000 ] - [ 0.0239929100000000, -0.0239031800000000, -0.0000223700000000 ] - [ 0.0240587700000000, -0.0240008900000000, 0.0001123300000000 ] - [ 0.0239830400000000, -0.0241029000000000, 0.0000373400000000 ] - [ 0.0253315800000000, 0.0238439100000000, -0.0000805800000000 ] - [ 0.0229001900000000, 0.0239645300000000, 0.0001616100000000 ] - [ 0.0242458200000000, 0.0240242500000000, -0.0001410200000000 ] - [ 0.0239474600000000, 0.0239080900000000, -0.0000360500000000 ] - [ 0.0165739100000000, -0.0177458800000000, -0.1757801100000000 ] - [ -0.0080590300000000, -0.0149256400000000, 0.0013749700000000 ] - [ -0.0081215800000000, -0.0145691300000000, 0.0011579100000000 ] - [ -0.0081619600000000, -0.0150057200000000, 0.0014442800000000 ] - [ 0.0126842200000000, 0.0112328700000000, -0.0004224600000000 ] - [ 0.0147697800000000, 0.0082211700000000, -0.0013424600000000 ] - [ 0.0151382100000000, 0.0082637800000000, -0.0013426200000000 ] - [ 0.0149855200000000, 0.0083698000000000, -0.0012276600000000 ] - [ -0.0149806200000000, -0.0081789900000000, -0.0014436300000000 ] - [ -0.0149727900000000, -0.0078875800000000, -0.0017246900000000 ] - [ -0.0150136900000000, -0.0082675200000000, -0.0017214500000000 ] - [ -0.0121085500000000, -0.0054054900000000, 0.0003114100000000 ] - [ -0.0081628000000000, 0.0150800400000000, -0.0014530600000000 ] - [ -0.0082520900000000, 0.0151800400000000, -0.0014512200000000 ] - [ -0.0081834500000000, 0.0151223300000000, -0.0013732400000000 ] - [ -0.0082596800000000, 0.0150573900000000, -0.0013727400000000 ] - [ 0.0055499700000000, -0.0155943700000000, 0.0047095200000000 ] - [ 0.0083068300000000, -0.0149609000000000, -0.0014611900000000 ] - [ 0.0060649800000000, -0.0156731400000000, 0.0046757100000000 ] - [ 0.0082739900000000, -0.0149754400000000, -0.0014616000000000 ] - [ 0.0176010100000000, -0.0052495500000000, 0.0022819500000000 ] - [ 0.0151646300000000, -0.0080444100000000, 0.0015704300000000 ] - [ 0.0149084800000000, -0.0081170400000000, 0.0014788200000000 ] - [ 0.0149551600000000, -0.0081814100000000, 0.0014548700000000 ] - [ -0.0147869100000000, 0.0081702100000000, 0.0015720000000000 ] - [ -0.0149701100000000, 0.0083007000000000, 0.0014549600000000 ] - [ -0.0183043000000000, 0.0107377600000000, 0.0022860400000000 ] - [ -0.0148516700000000, 0.0081375900000000, 0.0014739500000000 ] - [ 0.0082436400000000, 0.0149480900000000, 0.0014182500000000 ] - [ 0.0082612600000000, 0.0149325700000000, 0.0014208500000000 ] - [ 0.0082197600000000, 0.0150614200000000, 0.0018583200000000 ] - [ 0.0083435300000000, 0.0150392400000000, 0.0018554200000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0268804700000000, 0.0270008200000000, 0.0082938600000000 ] - [ -0.0269989200000000, 0.0269830900000000, 0.0083272600000000 ] - [ -0.0274871500000000, 0.0267619000000000, 0.0081616400000000 ] - [ -0.0266837400000000, 0.0271860300000000, 0.0085052700000000 ] - [ 0.0270615500000000, -0.0266963300000000, 0.0088010900000000 ] - [ 0.0269107400000000, -0.0270380600000000, 0.0083992500000000 ] - [ 0.0269695000000000, -0.0269524600000000, 0.0085453200000000 ] - [ 0.0267943200000000, -0.0270286300000000, 0.0084622200000000 ] - [ 0.0390484500000000, 0.0077619500000000, -0.0461489000000000 ] - [ 0.0269512800000000, -0.0268531900000000, -0.0083939800000000 ] - [ 0.0269674100000000, -0.0254346600000000, -0.0075127200000000 ] - [ 0.0269971100000000, -0.0268830700000000, -0.0083476900000000 ] - [ 0.0271641800000000, 0.0268374000000000, 0.0085705300000000 ] - [ 0.0270178300000000, 0.0269491500000000, 0.0084949800000000 ] - [ 0.0270656800000000, 0.0268706100000000, 0.0083774200000000 ] - [ 0.0269528500000000, 0.0268414300000000, 0.0084114100000000 ] - [ -0.0273768500000000, -0.0253826600000000, 0.0089540800000000 ] - [ -0.0270615800000000, -0.0268961200000000, 0.0083745400000000 ] - [ -0.0152772600000000, 0.0066797400000000, -0.0269854700000000 ] - [ -0.0272786200000000, -0.0269143000000000, 0.0083602000000000 ] - [ 0.0269453200000000, 0.0269986700000000, -0.0083197000000000 ] - [ 0.0269418800000000, 0.0268936700000000, -0.0084458400000000 ] - [ 0.0265135800000000, 0.0266879400000000, -0.0080853400000000 ] - [ 0.0268776600000000, 0.0271188500000000, -0.0083917100000000 ] - [ -0.0268232700000000, -0.0270154100000000, -0.0083857100000000 ] - [ -0.0269318200000000, -0.0269958200000000, -0.0083360900000000 ] - [ -0.0268534600000000, -0.0270792700000000, -0.0082945600000000 ] - [ -0.0270253300000000, -0.0270687100000000, -0.0085763900000000 ] - [ 0.0030558000000000, 0.0021494200000000, -0.0009727300000000 ] - [ -0.0002851700000000, 0.0021173700000000, -0.0006706600000000 ] - [ 0.0013226200000000, 0.0013681200000000, -0.0000667900000000 ] - [ 0.0013420500000000, 0.0013403900000000, 0.0000491000000000 ] - [ -0.0016460800000000, -0.0023528400000000, 0.0002123000000000 ] - [ -0.0012334700000000, -0.0012604100000000, -0.0000119800000000 ] - [ -0.0001074100000000, -0.0335892900000000, -0.0418279800000000 ] - [ -0.0011454700000000, -0.0012976800000000, 0.0000616400000000 ] - [ 0.0016755100000000, -0.0339515000000000, -0.0405736600000000 ] - [ 0.0013444100000000, -0.0012245300000000, 0.0001017300000000 ] - [ 0.0008926400000000, -0.0024104000000000, 0.0002451700000000 ] - [ 0.0013460600000000, -0.0012966400000000, 0.0000160800000000 ] - [ -0.0012135800000000, 0.0014090100000000, 0.0000558500000000 ] - [ -0.0012377900000000, 0.0014050800000000, -0.0000221200000000 ] - [ -0.0029737300000000, 0.0019788400000000, -0.0008739700000000 ] - [ 0.0004320900000000, 0.0019126300000000, -0.0008334400000000 ] - [ -0.0270471600000000, 0.0268228500000000, -0.0082976500000000 ] - [ -0.0270206800000000, 0.0268520200000000, -0.0083755900000000 ] - [ -0.0270261300000000, 0.0269181100000000, -0.0082155500000000 ] - [ -0.0269235200000000, 0.0269067200000000, -0.0081934400000000 ] - [ -0.0240221500000000, -0.0240347100000000, -0.0001225700000000 ] - [ -0.0239570900000000, -0.0239457800000000, -0.0000263500000000 ] - [ -0.0239098100000000, -0.0234484900000000, -0.0014601400000000 ] - [ -0.0239541400000000, -0.0240949100000000, 0.0000669800000000 ] - [ -0.0238846800000000, 0.0241111800000000, 0.0000482600000000 ] - [ -0.0241392900000000, 0.0240253100000000, 0.0000861600000000 ] - [ -0.0226271500000000, 0.0237722300000000, -0.0002049600000000 ] - [ -0.0282977400000000, 0.0252072100000000, -0.0011218600000000 ] - [ 0.0239562000000000, -0.0239178700000000, -0.0014184400000000 ] - [ 0.0240442500000000, -0.0241335200000000, 0.0000194300000000 ] - [ 0.0239768400000000, -0.0240285100000000, -0.0001153900000000 ] - [ 0.0240531600000000, -0.0239324800000000, -0.0000371200000000 ] - [ 0.0226399300000000, 0.0242189900000000, 0.0000539900000000 ] - [ 0.0251499700000000, 0.0240734300000000, -0.0001683700000000 ] - [ 0.0237809100000000, 0.0240091400000000, 0.0001292800000000 ] - [ 0.0240899200000000, 0.0241313700000000, 0.0000320600000000 ] - [ -0.0331122100000000, -0.0122242100000000, 0.1785448000000000 ] - [ -0.0083772700000000, -0.0150124100000000, 0.0015206400000000 ] - [ -0.0083138700000000, -0.0153712500000000, 0.0017333000000000 ] - [ -0.0082740100000000, -0.0149340100000000, 0.0014490800000000 ] - [ 0.0172989500000000, 0.0053174700000000, -0.0024861300000000 ] - [ 0.0151671900000000, 0.0082178200000000, -0.0015494600000000 ] - [ 0.0148029400000000, 0.0081745900000000, -0.0015496400000000 ] - [ 0.0149518000000000, 0.0080694700000000, -0.0016633400000000 ] - [ -0.0149568000000000, -0.0082569800000000, -0.0014492600000000 ] - [ -0.0149625100000000, -0.0085498300000000, -0.0011765100000000 ] - [ -0.0149205200000000, -0.0081728900000000, -0.0011732700000000 ] - [ -0.0178626400000000, -0.0112453000000000, -0.0032302100000000 ] - [ -0.0082680500000000, 0.0148616600000000, -0.0014473400000000 ] - [ -0.0081877600000000, 0.0147596800000000, -0.0014454500000000 ] - [ -0.0082493600000000, 0.0148159800000000, -0.0015164900000000 ] - [ -0.0081790300000000, 0.0148792900000000, -0.0015160600000000 ] - [ 0.0108244500000000, -0.0147198600000000, -0.0075760500000000 ] - [ 0.0081278300000000, -0.0149761000000000, -0.0014319800000000 ] - [ 0.0104518500000000, -0.0138911500000000, -0.0076100400000000 ] - [ 0.0081626600000000, -0.0149654900000000, -0.0014324100000000 ] - [ 0.0123345700000000, -0.0109925000000000, 0.0006208500000000 ] - [ 0.0147704800000000, -0.0083900900000000, 0.0013211000000000 ] - [ 0.0150306700000000, -0.0083208500000000, 0.0014206100000000 ] - [ 0.0149836200000000, -0.0082547000000000, 0.0014391500000000 ] - [ -0.0151524400000000, 0.0082602800000000, 0.0013227100000000 ] - [ -0.0149691800000000, 0.0081357600000000, 0.0014391000000000 ] - [ -0.0116555100000000, 0.0055731500000000, 0.0006246900000000 ] - [ -0.0150893600000000, 0.0082941200000000, 0.0014157900000000 ] - [ 0.0081921200000000, 0.0149914400000000, 0.0014752200000000 ] - [ 0.0081753100000000, 0.0150074900000000, 0.0014728500000000 ] - [ 0.0081789300000000, 0.0148765900000000, 0.0010381200000000 ] - [ 0.0081261600000000, 0.0149003700000000, 0.0010333800000000 ]