# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/9c85af07-8aaf-4cf9-a618-1dd995b382c5/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 Cs3Sb2I9 / P6_3/mmc (194) / materials id 23029](https://mdr.nims.go.jp/datasets/ff37274a-75aa-4fbd-8e2f-a7a3698652e0) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P6_3/mmc" number: 194 Hall_symbol: "-P 6c 2c"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 8.265319829999999, 0.000000000000000, 0.000000000000000 ] # a - [ -4.132659910000000, 7.157976940000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 20.911227000000000 ] # c points: - symbol: Sb # 1 coordinates: [ 0.666666670000000, 0.333333330000000, 0.843147760000000 ] mass: 121.760000 - symbol: Sb # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.656852240000000 ] mass: 121.760000 - symbol: Sb # 3 coordinates: [ 0.333333330000000, 0.666666670000000, 0.156852240000000 ] mass: 121.760000 - symbol: Sb # 4 coordinates: [ 0.333333330000000, 0.666666670000000, 0.343147760000000 ] mass: 121.760000 - symbol: I # 5 coordinates: [ 0.163665580000000, 0.836334420000000, 0.081720200000000 ] mass: 126.904470 - symbol: I # 6 coordinates: [ 0.836334420000000, 0.672668860000000, 0.918279800000000 ] mass: 126.904470 - symbol: I # 7 coordinates: [ 0.836334420000000, 0.163665580000000, 0.918279800000000 ] mass: 126.904470 - symbol: I # 8 coordinates: [ 0.836334420000000, 0.672668860000000, 0.581720200000000 ] mass: 126.904470 - symbol: I # 9 coordinates: [ 0.327331140000000, 0.163665580000000, 0.918279800000000 ] mass: 126.904470 - symbol: I # 10 coordinates: [ 0.672668860000000, 0.836334420000000, 0.418279800000000 ] mass: 126.904470 - symbol: I # 11 coordinates: [ 0.163665580000000, 0.327331140000000, 0.418279800000000 ] mass: 126.904470 - symbol: I # 12 coordinates: [ 0.163665580000000, 0.836334420000000, 0.418279800000000 ] mass: 126.904470 - symbol: I # 13 coordinates: [ 0.505903520000000, 0.011807050000000, 0.250000000000000 ] mass: 126.904470 - symbol: I # 14 coordinates: [ 0.494096480000000, 0.505903520000000, 0.750000000000000 ] mass: 126.904470 - symbol: I # 15 coordinates: [ 0.011807050000000, 0.505903520000000, 0.750000000000000 ] mass: 126.904470 - symbol: I # 16 coordinates: [ 0.988192950000000, 0.494096480000000, 0.250000000000000 ] mass: 126.904470 - symbol: I # 17 coordinates: [ 0.505903520000000, 0.494096480000000, 0.250000000000000 ] mass: 126.904470 - symbol: I # 18 coordinates: [ 0.494096480000000, 0.988192950000000, 0.750000000000000 ] mass: 126.904470 - symbol: I # 19 coordinates: [ 0.327331140000000, 0.163665580000000, 0.581720200000000 ] mass: 126.904470 - symbol: I # 20 coordinates: [ 0.836334420000000, 0.163665580000000, 0.581720200000000 ] mass: 126.904470 - symbol: I # 21 coordinates: [ 0.163665580000000, 0.327331140000000, 0.081720200000000 ] mass: 126.904470 - symbol: I # 22 coordinates: [ 0.672668860000000, 0.836334420000000, 0.081720200000000 ] mass: 126.904470 - symbol: Cs # 23 coordinates: [ 0.666666670000000, 0.333333330000000, 0.073788980000000 ] mass: 132.905452 - symbol: Cs # 24 coordinates: [ 0.333333330000000, 0.666666670000000, 0.573788980000000 ] mass: 132.905452 - symbol: Cs # 25 coordinates: [ 0.333333330000000, 0.666666670000000, 0.926211020000000 ] mass: 132.905452 - symbol: Cs # 26 coordinates: [ 0.666666670000000, 0.333333330000000, 0.426211020000000 ] mass: 132.905452 - symbol: Cs # 27 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 132.905452 - symbol: Cs # 28 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 132.905452 reciprocal_lattice: # without 2pi - [ 0.120987453670017, 0.069852138891504, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.139704277952033, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.047821201500993 ] # c*unit_cell: lattice: - [ 8.265319829999999, 0.000000000000000, 0.000000000000000 ] # a - [ -4.132659910000000, 7.157976940000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 20.911227000000000 ] # c points: - symbol: Sb # 1 coordinates: [ 0.666666670000000, 0.333333330000000, 0.843147760000000 ] mass: 121.760000 reduced_to: 1 - symbol: Sb # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.656852240000000 ] mass: 121.760000 reduced_to: 2 - symbol: Sb # 3 coordinates: [ 0.333333330000000, 0.666666670000000, 0.156852240000000 ] mass: 121.760000 reduced_to: 3 - symbol: Sb # 4 coordinates: [ 0.333333330000000, 0.666666670000000, 0.343147760000000 ] mass: 121.760000 reduced_to: 4 - symbol: I # 5 coordinates: [ 0.163665580000000, 0.836334420000000, 0.081720200000000 ] mass: 126.904470 reduced_to: 5 - symbol: I # 6 coordinates: [ 0.836334420000000, 0.672668860000000, 0.918279800000000 ] mass: 126.904470 reduced_to: 6 - symbol: I # 7 coordinates: [ 0.836334420000000, 0.163665580000000, 0.918279800000000 ] mass: 126.904470 reduced_to: 7 - symbol: I # 8 coordinates: [ 0.836334420000000, 0.672668860000000, 0.581720200000000 ] mass: 126.904470 reduced_to: 8 - symbol: I # 9 coordinates: [ 0.327331140000000, 0.163665580000000, 0.918279800000000 ] mass: 126.904470 reduced_to: 9 - symbol: I # 10 coordinates: [ 0.672668860000000, 0.836334420000000, 0.418279800000000 ] mass: 126.904470 reduced_to: 10 - symbol: I # 11 coordinates: [ 0.163665580000000, 0.327331140000000, 0.418279800000000 ] mass: 126.904470 reduced_to: 11 - symbol: I # 12 coordinates: [ 0.163665580000000, 0.836334420000000, 0.418279800000000 ] mass: 126.904470 reduced_to: 12 - symbol: I # 13 coordinates: [ 0.505903520000000, 0.011807050000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 13 - symbol: I # 14 coordinates: [ 0.494096480000000, 0.505903520000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 14 - symbol: I # 15 coordinates: [ 0.011807050000000, 0.505903520000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 15 - symbol: I # 16 coordinates: [ 0.988192950000000, 0.494096480000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 16 - symbol: I # 17 coordinates: [ 0.505903520000000, 0.494096480000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 17 - symbol: I # 18 coordinates: [ 0.494096480000000, 0.988192950000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 18 - symbol: I # 19 coordinates: [ 0.327331140000000, 0.163665580000000, 0.581720200000000 ] mass: 126.904470 reduced_to: 19 - symbol: I # 20 coordinates: [ 0.836334420000000, 0.163665580000000, 0.581720200000000 ] mass: 126.904470 reduced_to: 20 - symbol: I # 21 coordinates: [ 0.163665580000000, 0.327331140000000, 0.081720200000000 ] mass: 126.904470 reduced_to: 21 - symbol: I # 22 coordinates: [ 0.672668860000000, 0.836334420000000, 0.081720200000000 ] mass: 126.904470 reduced_to: 22 - symbol: Cs # 23 coordinates: [ 0.666666670000000, 0.333333330000000, 0.073788980000000 ] mass: 132.905452 reduced_to: 23 - symbol: Cs # 24 coordinates: [ 0.333333330000000, 0.666666670000000, 0.573788980000000 ] mass: 132.905452 reduced_to: 24 - symbol: Cs # 25 coordinates: [ 0.333333330000000, 0.666666670000000, 0.926211020000000 ] mass: 132.905452 reduced_to: 25 - symbol: Cs # 26 coordinates: [ 0.666666670000000, 0.333333330000000, 0.426211020000000 ] mass: 132.905452 reduced_to: 26 - symbol: Cs # 27 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 27 - symbol: Cs # 28 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 28supercell: lattice: - [ 16.530639659999999, 0.000000000000000, 0.000000000000000 ] # a - [ -8.265319820000000, 14.315953880000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 20.911227000000000 ] # c points: - symbol: Sb # 1 coordinates: [ 0.333333335000000, 0.166666665000000, 0.843147760000000 ] mass: 121.760000 reduced_to: 1 - symbol: Sb # 2 coordinates: [ 0.833333335000000, 0.166666665000000, 0.843147760000000 ] mass: 121.760000 reduced_to: 1 - symbol: Sb # 3 coordinates: [ 0.333333335000000, 0.666666665000000, 0.843147760000000 ] mass: 121.760000 reduced_to: 1 - symbol: Sb # 4 coordinates: [ 0.833333335000000, 0.666666665000000, 0.843147760000000 ] mass: 121.760000 reduced_to: 1 - symbol: Sb # 5 coordinates: [ 0.333333335000000, 0.166666665000000, 0.656852240000000 ] mass: 121.760000 reduced_to: 5 - symbol: Sb # 6 coordinates: [ 0.833333335000000, 0.166666665000000, 0.656852240000000 ] mass: 121.760000 reduced_to: 5 - symbol: Sb # 7 coordinates: [ 0.333333335000000, 0.666666665000000, 0.656852240000000 ] mass: 121.760000 reduced_to: 5 - symbol: Sb # 8 coordinates: [ 0.833333335000000, 0.666666665000000, 0.656852240000000 ] mass: 121.760000 reduced_to: 5 - symbol: Sb # 9 coordinates: [ 0.166666665000000, 0.333333335000000, 0.156852240000000 ] mass: 121.760000 reduced_to: 9 - symbol: Sb # 10 coordinates: [ 0.666666665000000, 0.333333335000000, 0.156852240000000 ] mass: 121.760000 reduced_to: 9 - symbol: Sb # 11 coordinates: [ 0.166666665000000, 0.833333335000000, 0.156852240000000 ] mass: 121.760000 reduced_to: 9 - symbol: Sb # 12 coordinates: [ 0.666666665000000, 0.833333335000000, 0.156852240000000 ] mass: 121.760000 reduced_to: 9 - symbol: Sb # 13 coordinates: [ 0.166666665000000, 0.333333335000000, 0.343147760000000 ] mass: 121.760000 reduced_to: 13 - symbol: Sb # 14 coordinates: [ 0.666666665000000, 0.333333335000000, 0.343147760000000 ] mass: 121.760000 reduced_to: 13 - symbol: Sb # 15 coordinates: [ 0.166666665000000, 0.833333335000000, 0.343147760000000 ] mass: 121.760000 reduced_to: 13 - symbol: Sb # 16 coordinates: [ 0.666666665000000, 0.833333335000000, 0.343147760000000 ] mass: 121.760000 reduced_to: 13 - symbol: I # 17 coordinates: [ 0.081832790000000, 0.418167210000000, 0.081720200000000 ] mass: 126.904470 reduced_to: 17 - symbol: I # 18 coordinates: [ 0.581832790000000, 0.418167210000000, 0.081720200000000 ] mass: 126.904470 reduced_to: 17 - symbol: I # 19 coordinates: [ 0.081832790000000, 0.918167210000000, 0.081720200000000 ] mass: 126.904470 reduced_to: 17 - symbol: I # 20 coordinates: [ 0.581832790000000, 0.918167210000000, 0.081720200000000 ] mass: 126.904470 reduced_to: 17 - symbol: I # 21 coordinates: [ 0.418167210000000, 0.336334430000000, 0.918279800000000 ] mass: 126.904470 reduced_to: 21 - symbol: I # 22 coordinates: [ 0.918167210000000, 0.336334430000000, 0.918279800000000 ] mass: 126.904470 reduced_to: 21 - symbol: I # 23 coordinates: [ 0.418167210000000, 0.836334430000000, 0.918279800000000 ] mass: 126.904470 reduced_to: 21 - symbol: I # 24 coordinates: [ 0.918167210000000, 0.836334430000000, 0.918279800000000 ] mass: 126.904470 reduced_to: 21 - symbol: I # 25 coordinates: [ 0.418167210000000, 0.081832790000000, 0.918279800000000 ] mass: 126.904470 reduced_to: 25 - symbol: I # 26 coordinates: [ 0.918167210000000, 0.081832790000000, 0.918279800000000 ] mass: 126.904470 reduced_to: 25 - symbol: I # 27 coordinates: [ 0.418167210000000, 0.581832790000000, 0.918279800000000 ] mass: 126.904470 reduced_to: 25 - symbol: I # 28 coordinates: [ 0.918167210000000, 0.581832790000000, 0.918279800000000 ] mass: 126.904470 reduced_to: 25 - symbol: I # 29 coordinates: [ 0.418167210000000, 0.336334430000000, 0.581720200000000 ] mass: 126.904470 reduced_to: 29 - symbol: I # 30 coordinates: [ 0.918167210000000, 0.336334430000000, 0.581720200000000 ] mass: 126.904470 reduced_to: 29 - symbol: I # 31 coordinates: [ 0.418167210000000, 0.836334430000000, 0.581720200000000 ] mass: 126.904470 reduced_to: 29 - symbol: I # 32 coordinates: [ 0.918167210000000, 0.836334430000000, 0.581720200000000 ] mass: 126.904470 reduced_to: 29 - symbol: I # 33 coordinates: [ 0.163665570000000, 0.081832790000000, 0.918279800000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 34 coordinates: [ 0.663665570000000, 0.081832790000000, 0.918279800000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 35 coordinates: [ 0.163665570000000, 0.581832790000000, 0.918279800000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 36 coordinates: [ 0.663665570000000, 0.581832790000000, 0.918279800000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 37 coordinates: [ 0.336334430000000, 0.418167210000000, 0.418279800000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 38 coordinates: [ 0.836334430000000, 0.418167210000000, 0.418279800000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 39 coordinates: [ 0.336334430000000, 0.918167210000000, 0.418279800000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 40 coordinates: [ 0.836334430000000, 0.918167210000000, 0.418279800000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 41 coordinates: [ 0.081832790000000, 0.163665570000000, 0.418279800000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 42 coordinates: [ 0.581832790000000, 0.163665570000000, 0.418279800000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 43 coordinates: [ 0.081832790000000, 0.663665570000000, 0.418279800000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 44 coordinates: [ 0.581832790000000, 0.663665570000000, 0.418279800000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 45 coordinates: [ 0.081832790000000, 0.418167210000000, 0.418279800000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 46 coordinates: [ 0.581832790000000, 0.418167210000000, 0.418279800000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 47 coordinates: [ 0.081832790000000, 0.918167210000000, 0.418279800000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 48 coordinates: [ 0.581832790000000, 0.918167210000000, 0.418279800000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 49 coordinates: [ 0.252951760000000, 0.005903525000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 50 coordinates: [ 0.752951760000000, 0.005903525000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 51 coordinates: [ 0.252951760000000, 0.505903525000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 52 coordinates: [ 0.752951760000000, 0.505903525000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 53 coordinates: [ 0.247048240000000, 0.252951760000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 54 coordinates: [ 0.747048240000000, 0.252951760000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 55 coordinates: [ 0.247048240000000, 0.752951760000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 56 coordinates: [ 0.747048240000000, 0.752951760000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 57 coordinates: [ 0.005903525000000, 0.252951760000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 58 coordinates: [ 0.505903525000000, 0.252951760000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 59 coordinates: [ 0.005903525000000, 0.752951760000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 60 coordinates: [ 0.505903525000000, 0.752951760000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 61 coordinates: [ 0.494096475000000, 0.247048240000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 62 coordinates: [ 0.994096475000000, 0.247048240000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 63 coordinates: [ 0.494096475000000, 0.747048240000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 64 coordinates: [ 0.994096475000000, 0.747048240000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 65 coordinates: [ 0.252951760000000, 0.247048240000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 66 coordinates: [ 0.752951760000000, 0.247048240000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 67 coordinates: [ 0.252951760000000, 0.747048240000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 68 coordinates: [ 0.752951760000000, 0.747048240000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 69 coordinates: [ 0.247048240000000, 0.494096475000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 69 - symbol: I # 70 coordinates: [ 0.747048240000000, 0.494096475000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 69 - symbol: I # 71 coordinates: [ 0.247048240000000, 0.994096475000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 69 - symbol: I # 72 coordinates: [ 0.747048240000000, 0.994096475000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 69 - symbol: I # 73 coordinates: [ 0.163665570000000, 0.081832790000000, 0.581720200000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 74 coordinates: [ 0.663665570000000, 0.081832790000000, 0.581720200000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 75 coordinates: [ 0.163665570000000, 0.581832790000000, 0.581720200000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 76 coordinates: [ 0.663665570000000, 0.581832790000000, 0.581720200000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 77 coordinates: [ 0.418167210000000, 0.081832790000000, 0.581720200000000 ] mass: 126.904470 reduced_to: 77 - symbol: I # 78 coordinates: [ 0.918167210000000, 0.081832790000000, 0.581720200000000 ] mass: 126.904470 reduced_to: 77 - symbol: I # 79 coordinates: [ 0.418167210000000, 0.581832790000000, 0.581720200000000 ] mass: 126.904470 reduced_to: 77 - symbol: I # 80 coordinates: [ 0.918167210000000, 0.581832790000000, 0.581720200000000 ] mass: 126.904470 reduced_to: 77 - symbol: I # 81 coordinates: [ 0.081832790000000, 0.163665570000000, 0.081720200000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 82 coordinates: [ 0.581832790000000, 0.163665570000000, 0.081720200000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 83 coordinates: [ 0.081832790000000, 0.663665570000000, 0.081720200000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 84 coordinates: [ 0.581832790000000, 0.663665570000000, 0.081720200000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 85 coordinates: [ 0.336334430000000, 0.418167210000000, 0.081720200000000 ] mass: 126.904470 reduced_to: 85 - symbol: I # 86 coordinates: [ 0.836334430000000, 0.418167210000000, 0.081720200000000 ] mass: 126.904470 reduced_to: 85 - symbol: I # 87 coordinates: [ 0.336334430000000, 0.918167210000000, 0.081720200000000 ] mass: 126.904470 reduced_to: 85 - symbol: I # 88 coordinates: [ 0.836334430000000, 0.918167210000000, 0.081720200000000 ] mass: 126.904470 reduced_to: 85 - symbol: Cs # 89 coordinates: [ 0.333333335000000, 0.166666665000000, 0.073788980000000 ] mass: 132.905452 reduced_to: 89 - symbol: Cs # 90 coordinates: [ 0.833333335000000, 0.166666665000000, 0.073788980000000 ] mass: 132.905452 reduced_to: 89 - symbol: Cs # 91 coordinates: [ 0.333333335000000, 0.666666665000000, 0.073788980000000 ] mass: 132.905452 reduced_to: 89 - symbol: Cs # 92 coordinates: [ 0.833333335000000, 0.666666665000000, 0.073788980000000 ] mass: 132.905452 reduced_to: 89 - symbol: Cs # 93 coordinates: [ 0.166666665000000, 0.333333335000000, 0.573788980000000 ] mass: 132.905452 reduced_to: 93 - symbol: Cs # 94 coordinates: [ 0.666666665000000, 0.333333335000000, 0.573788980000000 ] mass: 132.905452 reduced_to: 93 - symbol: Cs # 95 coordinates: [ 0.166666665000000, 0.833333335000000, 0.573788980000000 ] mass: 132.905452 reduced_to: 93 - symbol: Cs # 96 coordinates: [ 0.666666665000000, 0.833333335000000, 0.573788980000000 ] mass: 132.905452 reduced_to: 93 - symbol: Cs # 97 coordinates: [ 0.166666665000000, 0.333333335000000, 0.926211020000000 ] mass: 132.905452 reduced_to: 97 - symbol: Cs # 98 coordinates: [ 0.666666665000000, 0.333333335000000, 0.926211020000000 ] mass: 132.905452 reduced_to: 97 - symbol: Cs # 99 coordinates: [ 0.166666665000000, 0.833333335000000, 0.926211020000000 ] mass: 132.905452 reduced_to: 97 - symbol: Cs # 100 coordinates: [ 0.666666665000000, 0.833333335000000, 0.926211020000000 ] mass: 132.905452 reduced_to: 97 - symbol: Cs # 101 coordinates: [ 0.333333335000000, 0.166666665000000, 0.426211020000000 ] mass: 132.905452 reduced_to: 101 - symbol: Cs # 102 coordinates: [ 0.833333335000000, 0.166666665000000, 0.426211020000000 ] mass: 132.905452 reduced_to: 101 - symbol: Cs # 103 coordinates: [ 0.333333335000000, 0.666666665000000, 0.426211020000000 ] mass: 132.905452 reduced_to: 101 - symbol: Cs # 104 coordinates: [ 0.833333335000000, 0.666666665000000, 0.426211020000000 ] mass: 132.905452 reduced_to: 101 - symbol: Cs # 105 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 105 - symbol: Cs # 106 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 105 - symbol: Cs # 107 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 105 - symbol: Cs # 108 coordinates: [ 0.500000000000000, 0.500000000000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 105 - symbol: Cs # 109 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 109 - symbol: Cs # 110 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 109 - symbol: Cs # 111 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 109 - symbol: Cs # 112 coordinates: [ 0.500000000000000, 0.500000000000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 109born_effective_charge:- # 1 (Sb) - [ 3.370270120000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.370270120000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.480223710000000 ]- # 2 (Sb) - [ 3.370270120000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.370270120000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.480223710000000 ]- # 3 (Sb) - [ 3.370270120000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.370270120000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.480223710000000 ]- # 4 (Sb) - [ 3.370270120000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.370270120000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.480223710000000 ]- # 5 (I) - [ -1.504173580000000, 0.589588510000000, -0.743306570000000 ] - [ 0.589588510000000, -0.823375420000000, 0.429148250000000 ] - [ -0.844443050000000, 0.487539420000000, -1.216235360000000 ]- # 6 (I) - [ -0.482976332560584, -0.000000003319620, -0.000000000874701 ] - [ -0.000000005270677, -1.844572667439415, -0.858296497446543 ] - [ 0.000000001235065, -0.975078843318917, -1.216235360000000 ]- # 7 (I) - [ -1.504173580000000, 0.589588510000000, -0.743306570000000 ] - [ 0.589588510000000, -0.823375420000000, 0.429148250000000 ] - [ -0.844443050000000, 0.487539420000000, -1.216235360000000 ]- # 8 (I) - [ -0.482976332560584, -0.000000003319620, 0.000000000874701 ] - [ -0.000000005270677, -1.844572667439415, 0.858296497446543 ] - [ -0.000000001235065, 0.975078843318917, -1.216235360000000 ]- # 9 (I) - [ -1.504173587439416, -0.589588505180451, 0.743306570874701 ] - [ -0.589588506229252, -0.823375412560584, 0.429148247446543 ] - [ 0.844443048764935, 0.487539423318918, -1.216235360000000 ]- # 10 (I) - [ -1.504173587439416, -0.589588505180451, -0.743306570874701 ] - [ -0.589588506229252, -0.823375412560584, -0.429148247446543 ] - [ -0.844443048764935, -0.487539423318918, -1.216235360000000 ]- # 11 (I) - [ -0.482976332560584, -0.000000003319620, 0.000000000874701 ] - [ -0.000000005270677, -1.844572667439415, 0.858296497446543 ] - [ -0.000000001235065, 0.975078843318917, -1.216235360000000 ]- # 12 (I) - [ -1.504173580000000, 0.589588510000000, 0.743306570000000 ] - [ 0.589588510000000, -0.823375420000000, -0.429148250000000 ] - [ 0.844443050000000, -0.487539420000000, -1.216235360000000 ]- # 13 (I) - [ -0.540049300000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -2.234734150000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.002595020000000 ]- # 14 (I) - [ -1.811062937500000, 0.733820064540138, 0.000000000000000 ] - [ 0.733820066968483, -0.963720512500000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.002595020000000 ]- # 15 (I) - [ -1.811062937500000, -0.733820066315798, 0.000000000000000 ] - [ -0.733820065192823, -0.963720512500000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.002595020000000 ]- # 16 (I) - [ -1.811062937500000, -0.733820066315798, 0.000000000000000 ] - [ -0.733820065192823, -0.963720512500000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.002595020000000 ]- # 17 (I) - [ -1.811062937500000, 0.733820064540138, 0.000000000000000 ] - [ 0.733820066968483, -0.963720512500000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.002595020000000 ]- # 18 (I) - [ -0.540049300000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -2.234734150000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.002595020000000 ]- # 19 (I) - [ -1.504173587439416, -0.589588505180451, -0.743306570874701 ] - [ -0.589588506229252, -0.823375412560584, -0.429148247446543 ] - [ -0.844443048764935, -0.487539423318918, -1.216235360000000 ]- # 20 (I) - [ -1.504173580000000, 0.589588510000000, 0.743306570000000 ] - [ 0.589588510000000, -0.823375420000000, -0.429148250000000 ] - [ 0.844443050000000, -0.487539420000000, -1.216235360000000 ]- # 21 (I) - [ -0.482976332560584, -0.000000003319620, -0.000000000874701 ] - [ -0.000000005270677, -1.844572667439415, -0.858296497446543 ] - [ 0.000000001235065, -0.975078843318917, -1.216235360000000 ]- # 22 (I) - [ -1.504173587439416, -0.589588505180451, 0.743306570874701 ] - [ -0.589588506229252, -0.823375412560584, 0.429148247446543 ] - [ 0.844443048764935, 0.487539423318918, -1.216235360000000 ]- # 23 (Cs) - [ 1.436131990000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.436131990000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.659627190000000 ]- # 24 (Cs) - [ 1.436131990000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.436131990000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.659627190000000 ]- # 25 (Cs) - [ 1.436131990000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.436131990000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.659627190000000 ]- # 26 (Cs) - [ 1.436131990000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.436131990000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.659627190000000 ]- # 27 (Cs) - [ 1.532017930000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.532017930000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.025495400000000 ]- # 28 (Cs) - [ 1.532017930000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.532017930000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.025495400000000 ]dielectric_constant: - [ 5.150414140000000, -0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 5.150414150000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 5.233313890000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0643248500000000, 0.0002988400000000, 0.0050213300000000 ] - [ 0.0032208800000000, -0.0000015000000000, 0.0053449100000000 ] - [ -0.0005859600000000, -0.0021977300000000, 0.0035202700000000 ] - [ -0.0005887900000000, 0.0021994200000000, 0.0071684700000000 ] - [ -0.0122411000000000, -0.0000187300000000, -0.0053305900000000 ] - [ 0.0009736300000000, 0.0000000400000000, -0.0053414000000000 ] - [ -0.0000446000000000, -0.0005862100000000, -0.0052172600000000 ] - [ -0.0000430100000000, 0.0005887200000000, -0.0054648000000000 ] - [ -0.0003108000000000, -0.0013911600000000, -0.0060438400000000 ] - [ -0.0003129600000000, 0.0013905700000000, -0.0046414600000000 ] - [ -0.0027206800000000, -0.0000012600000000, -0.0053403800000000 ] - [ 0.0004491900000000, -0.0000008500000000, -0.0053422400000000 ] - [ -0.0000362100000000, 0.0001128200000000, 0.0051152500000000 ] - [ -0.0000353500000000, -0.0001127000000000, 0.0055649800000000 ] - [ 0.0001595300000000, -0.0000009700000000, 0.0053408800000000 ] - [ -0.0000471800000000, -0.0000002000000000, 0.0053407900000000 ] - [ 0.0386100300000000, -0.0222527100000000, -0.0043236200000000 ] - [ 0.0390897000000000, -0.0225269600000000, -0.0041898300000000 ] - [ 0.0397675200000000, -0.0230485400000000, -0.0035176700000000 ] - [ 0.0385428400000000, -0.0222726500000000, -0.0045090900000000 ] - [ 0.0046199900000000, -0.0447394400000000, 0.0043841900000000 ] - [ -0.0002943900000000, -0.0447050600000000, 0.0044068100000000 ] - [ -0.0000268000000000, -0.0431277200000000, 0.0052477700000000 ] - [ -0.0000198700000000, -0.0462764600000000, 0.0035623700000000 ] - [ -0.0166983500000000, 0.0122763500000000, 0.0178860700000000 ] - [ -0.0399286200000000, 0.0228767800000000, 0.0037687200000000 ] - [ -0.0384251300000000, 0.0223352700000000, 0.0046127600000000 ] - [ -0.0386571100000000, 0.0221482100000000, 0.0044584600000000 ] - [ 0.0010597000000000, -0.0446986200000000, -0.0044052900000000 ] - [ -0.0001203000000000, -0.0447034500000000, -0.0044070600000000 ] - [ 0.0000292400000000, -0.0444822300000000, -0.0044644200000000 ] - [ 0.0000290000000000, -0.0449243900000000, -0.0043495600000000 ] - [ 0.0601088600000000, 0.0320080400000000, -0.0085232600000000 ] - [ 0.0374937700000000, 0.0218310900000000, 0.0050402200000000 ] - [ 0.0387707600000000, 0.0225552400000000, 0.0043560100000000 ] - [ 0.0390047200000000, 0.0223665200000000, 0.0041986500000000 ] - [ -0.0386201100000000, -0.0223258300000000, 0.0044487500000000 ] - [ -0.0387723500000000, -0.0223790400000000, 0.0044235500000000 ] - [ -0.0387604500000000, -0.0223462100000000, 0.0044038600000000 ] - [ -0.0387097900000000, -0.0223567600000000, 0.0044163000000000 ] - [ -0.0000012600000000, 0.0445710600000000, 0.0044522800000000 ] - [ -0.0000015100000000, 0.0448344500000000, 0.0043630800000000 ] - [ -0.0000088900000000, 0.0447033700000000, 0.0044069900000000 ] - [ 0.0000151600000000, 0.0447031900000000, 0.0044073700000000 ] - [ 0.0386578800000000, -0.0223246700000000, 0.0043912700000000 ] - [ 0.0388094200000000, -0.0223778600000000, 0.0043667800000000 ] - [ 0.0386694000000000, -0.0223570500000000, 0.0044111300000000 ] - [ 0.0387204500000000, -0.0223468700000000, 0.0043982900000000 ] - [ 0.0000576300000000, -0.0583996200000000, 0.0000003200000000 ] - [ -0.0000355300000000, -0.0583995200000000, 0.0000007500000000 ] - [ -0.0000013800000000, -0.0580730000000000, 0.0003865700000000 ] - [ -0.0000009600000000, -0.0587246900000000, -0.0003834700000000 ] - [ 0.0604107100000000, -0.0332392700000000, 0.0002271500000000 ] - [ 0.0495610800000000, -0.0287654000000000, -0.0003160300000000 ] - [ 0.0508758500000000, -0.0292923100000000, 0.0003406100000000 ] - [ 0.0505637400000000, -0.0293492200000000, -0.0001096500000000 ] - [ -0.0515861900000000, -0.0296355900000000, 0.0003176800000000 ] - [ -0.0405009900000000, -0.0250146000000000, -0.0004362900000000 ] - [ -0.0502760200000000, -0.0291049400000000, -0.0003413300000000 ] - [ -0.0505880600000000, -0.0290497800000000, 0.0001090400000000 ] - [ 0.0506464400000000, 0.0292070500000000, -0.0001025800000000 ] - [ 0.0505542000000000, 0.0292690000000000, 0.0001354500000000 ] - [ 0.0505379500000000, 0.0291983600000000, 0.0000397000000000 ] - [ 0.0509068000000000, 0.0293104300000000, -0.0002500100000000 ] - [ -0.0505055400000000, 0.0291922400000000, 0.0001029100000000 ] - [ -0.0505967900000000, 0.0291301900000000, -0.0001337900000000 ] - [ -0.0502447000000000, 0.0290888700000000, 0.0002506100000000 ] - [ -0.0506140300000000, 0.0292012400000000, -0.0000394700000000 ] - [ -0.0000582800000000, 0.0597968800000000, 0.0006572900000000 ] - [ -0.0000630300000000, 0.0569952000000000, -0.0006582200000000 ] - [ 0.0028325400000000, 0.0584113200000000, -0.0000018500000000 ] - [ -0.0002714600000000, 0.0583994700000000, -0.0000009600000000 ] - [ 0.0410002400000000, 0.0230595700000000, -0.0031552500000000 ] - [ 0.0384379400000000, 0.0222592300000000, -0.0044704700000000 ] - [ 0.0387254100000000, 0.0224264000000000, -0.0043794000000000 ] - [ 0.0387026300000000, 0.0222422000000000, -0.0044134000000000 ] - [ -0.0364313700000000, 0.0216468100000000, -0.0056550600000000 ] - [ -0.0389922800000000, 0.0224445000000000, -0.0043437100000000 ] - [ -0.0387270900000000, 0.0224612200000000, -0.0044014000000000 ] - [ -0.0387052500000000, 0.0222773000000000, -0.0044349800000000 ] - [ -0.0000420600000000, 0.0455561500000000, -0.0037324500000000 ] - [ -0.0000455700000000, 0.0438559100000000, -0.0050850300000000 ] - [ 0.0000668200000000, 0.0447055500000000, -0.0044070200000000 ] - [ -0.0000350300000000, 0.0447056200000000, -0.0044066300000000 ] - [ -0.0383400900000000, -0.0221793300000000, -0.0046253600000000 ] - [ -0.0388179500000000, -0.0224513600000000, -0.0044917300000000 ] - [ -0.0376619400000000, -0.0216494200000000, -0.0053056800000000 ] - [ -0.0388851100000000, -0.0224312200000000, -0.0043054600000000 ] - [ -0.0020329600000000, 0.0000033900000000, -0.0018382300000000 ] - [ 0.0004101100000000, 0.0000009500000000, -0.0018371100000000 ] - [ 0.0000229000000000, -0.0002231300000000, -0.0017145300000000 ] - [ 0.0000223600000000, 0.0002243600000000, -0.0019596100000000 ] - [ 0.0004371300000000, -0.0002013800000000, -0.0009702200000000 ] - [ 0.0004391900000000, 0.0002039200000000, -0.0027042600000000 ] - [ 0.0000871400000000, 0.0000013100000000, -0.0018353200000000 ] - [ -0.0000215100000000, 0.0000008800000000, -0.0018370100000000 ] - [ 0.0011138200000000, -0.0016978600000000, 0.0011256900000000 ] - [ 0.0011177200000000, 0.0017018000000000, 0.0025544700000000 ] - [ -0.0018283900000000, -0.0000021100000000, 0.0018359700000000 ] - [ 0.0003574700000000, -0.0000011400000000, 0.0018370500000000 ] - [ 0.0000014800000000, -0.0000010400000000, 0.0018358500000000 ] - [ 0.0000600800000000, -0.0000010000000000, 0.0018366200000000 ] - [ -0.0000034200000000, -0.0000376400000000, 0.0018168400000000 ] - [ -0.0000035000000000, 0.0000357300000000, 0.0018563900000000 ] - [ 0.0000330200000000, 0.0000793300000000, -0.0001812300000000 ] - [ 0.0000333800000000, -0.0000795800000000, 0.0001813500000000 ] - [ 0.0001315600000000, -0.0000002100000000, -0.0000000300000000 ] - [ -0.0001044000000000, -0.0000001300000000, -0.0000002800000000 ] - [ 0.0011681000000000, 0.0013209100000000, 0.0013438000000000 ] - [ 0.0011735000000000, -0.0013277400000000, -0.0013470300000000 ] - [ 0.0001897200000000, 0.0000003800000000, 0.0000001400000000 ] - [ -0.0011230000000000, 0.0000024200000000, 0.0000024700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0633250700000000 ] - [ 0.0000000000000000, 0.0021049500000000, 0.0011405700000000 ] - [ -0.0018229400000000, -0.0010524800000000, 0.0011405700000000 ] - [ 0.0018229400000000, -0.0010524800000000, 0.0011405700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0103581700000000 ] - [ 0.0000000000000000, 0.0001428400000000, -0.0059156400000000 ] - [ -0.0001237000000000, -0.0000714200000000, -0.0059156400000000 ] - [ 0.0001237000000000, -0.0000714200000000, -0.0059156400000000 ] - [ -0.0007000200000000, 0.0004041600000000, -0.0036483900000000 ] - [ 0.0007000200000000, 0.0004041600000000, -0.0036483900000000 ] - [ 0.0000000000000000, -0.0008083100000000, -0.0036483900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0044612700000000 ] - [ 0.0002239300000000, -0.0001292900000000, 0.0069126000000000 ] - [ -0.0002239300000000, -0.0001292900000000, 0.0069126000000000 ] - [ 0.0000000000000000, 0.0002585800000000, 0.0069126000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0062867100000000 ] - [ 0.0387604000000000, -0.0223783300000000, -0.0045523600000000 ] - [ 0.0382166600000000, -0.0222361800000000, -0.0048358100000000 ] - [ 0.0383654200000000, -0.0219785100000000, -0.0048358100000000 ] - [ 0.0385694000000000, -0.0222680500000000, -0.0045830400000000 ] - [ 0.0000000000000000, -0.0286850300000000, 0.0199810300000000 ] - [ 0.0000000000000000, -0.0445432800000000, 0.0047528100000000 ] - [ -0.0000391700000000, -0.0431481300000000, 0.0055567400000000 ] - [ 0.0000391700000000, -0.0431481300000000, 0.0055567400000000 ] - [ -0.0248419600000000, 0.0143425100000000, 0.0199810300000000 ] - [ -0.0373478000000000, 0.0216079900000000, 0.0055567400000000 ] - [ -0.0373869700000000, 0.0215401400000000, 0.0055567400000000 ] - [ -0.0385756100000000, 0.0222716400000000, 0.0047528100000000 ] - [ 0.0000000000000000, -0.0426151200000000, -0.0062615400000000 ] - [ 0.0000000000000000, -0.0447689800000000, -0.0043424500000000 ] - [ 0.0000786400000000, -0.0448715400000000, -0.0043210700000000 ] - [ -0.0000786400000000, -0.0448715400000000, -0.0043210700000000 ] - [ 0.0248419600000000, 0.0143425100000000, 0.0199810300000000 ] - [ 0.0373478000000000, 0.0216079900000000, 0.0055567400000000 ] - [ 0.0385756100000000, 0.0222716400000000, 0.0047528100000000 ] - [ 0.0373869700000000, 0.0215401400000000, 0.0055567400000000 ] - [ -0.0391241400000000, -0.0225259600000000, 0.0039194600000000 ] - [ -0.0388575100000000, -0.0224343900000000, 0.0040671900000000 ] - [ -0.0390701200000000, -0.0226195100000000, 0.0039194600000000 ] - [ -0.0388891900000000, -0.0224526800000000, 0.0041704000000000 ] - [ -0.0000540100000000, 0.0451454800000000, 0.0039194600000000 ] - [ 0.0000540100000000, 0.0451454800000000, 0.0039194600000000 ] - [ 0.0000000000000000, 0.0448687900000000, 0.0040671900000000 ] - [ 0.0000000000000000, 0.0449053700000000, 0.0041704000000000 ] - [ 0.0388575100000000, -0.0224343900000000, 0.0040671900000000 ] - [ 0.0391241400000000, -0.0225259600000000, 0.0039194600000000 ] - [ 0.0390701200000000, -0.0226195100000000, 0.0039194600000000 ] - [ 0.0388891900000000, -0.0224526800000000, 0.0041704000000000 ] - [ 0.0000000000000000, -0.0582599700000000, -0.0005946900000000 ] - [ 0.0000000000000000, -0.0583556700000000, -0.0003616800000000 ] - [ 0.0000279900000000, -0.0584346800000000, -0.0007973000000000 ] - [ -0.0000279900000000, -0.0584346800000000, -0.0007973000000000 ] - [ 0.0557189100000000, -0.0321693300000000, 0.0036319400000000 ] - [ 0.0517301700000000, -0.0298082400000000, 0.0011688600000000 ] - [ 0.0516797800000000, -0.0298955200000000, 0.0011688600000000 ] - [ 0.0506707900000000, -0.0292547900000000, 0.0005517700000000 ] - [ -0.0517301700000000, -0.0298082400000000, 0.0011688600000000 ] - [ -0.0557189100000000, -0.0321693300000000, 0.0036319400000000 ] - [ -0.0516797800000000, -0.0298955200000000, 0.0011688600000000 ] - [ -0.0506707900000000, -0.0292547900000000, 0.0005517700000000 ] - [ 0.0504546100000000, 0.0291299800000000, -0.0005946900000000 ] - [ 0.0506199100000000, 0.0291931000000000, -0.0007973000000000 ] - [ 0.0505374900000000, 0.0291778400000000, -0.0003616800000000 ] - [ 0.0505919200000000, 0.0292415800000000, -0.0007973000000000 ] - [ -0.0504546100000000, 0.0291299800000000, -0.0005946900000000 ] - [ -0.0506199100000000, 0.0291931000000000, -0.0007973000000000 ] - [ -0.0505919200000000, 0.0292415800000000, -0.0007973000000000 ] - [ -0.0505374900000000, 0.0291778400000000, -0.0003616800000000 ] - [ -0.0000503900000000, 0.0597037600000000, 0.0011688600000000 ] - [ 0.0000503900000000, 0.0597037600000000, 0.0011688600000000 ] - [ 0.0000000000000000, 0.0643386600000000, 0.0036319400000000 ] - [ 0.0000000000000000, 0.0585095900000000, 0.0005517700000000 ] - [ 0.0369057800000000, 0.0213075600000000, -0.0062615400000000 ] - [ 0.0388992100000000, 0.0223676600000000, -0.0043210700000000 ] - [ 0.0387710800000000, 0.0223844900000000, -0.0043424500000000 ] - [ 0.0388205700000000, 0.0225038800000000, -0.0043210700000000 ] - [ -0.0369057800000000, 0.0213075600000000, -0.0062615400000000 ] - [ -0.0388992100000000, 0.0223676600000000, -0.0043210700000000 ] - [ -0.0388205700000000, 0.0225038800000000, -0.0043210700000000 ] - [ -0.0387710800000000, 0.0223844900000000, -0.0043424500000000 ] - [ 0.0001487600000000, 0.0442146900000000, -0.0048358100000000 ] - [ -0.0001487600000000, 0.0442146900000000, -0.0048358100000000 ] - [ 0.0000000000000000, 0.0447566500000000, -0.0045523600000000 ] - [ 0.0000000000000000, 0.0445361100000000, -0.0045830400000000 ] - [ -0.0382166600000000, -0.0222361800000000, -0.0048358100000000 ] - [ -0.0387604000000000, -0.0223783300000000, -0.0045523600000000 ] - [ -0.0383654200000000, -0.0219785100000000, -0.0048358100000000 ] - [ -0.0385694000000000, -0.0222680500000000, -0.0045830400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014336200000000 ] - [ 0.0000000000000000, 0.0000263600000000, -0.0017044200000000 ] - [ -0.0000228300000000, -0.0000131800000000, -0.0017044200000000 ] - [ 0.0000228300000000, -0.0000131800000000, -0.0017044200000000 ] - [ 0.0008990700000000, -0.0005190800000000, -0.0010515600000000 ] - [ -0.0008990700000000, -0.0005190800000000, -0.0010515600000000 ] - [ 0.0000000000000000, 0.0010381600000000, -0.0010515600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018295300000000 ] - [ -0.0014695800000000, 0.0008484600000000, 0.0010712900000000 ] - [ 0.0014695800000000, 0.0008484600000000, 0.0010712900000000 ] - [ 0.0000000000000000, -0.0016969300000000, 0.0010712900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016612100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029370200000000 ] - [ 0.0000000000000000, -0.0000332100000000, 0.0021740100000000 ] - [ 0.0000287600000000, 0.0000166100000000, 0.0021740100000000 ] - [ -0.0000287600000000, 0.0000166100000000, 0.0021740100000000 ] - [ -0.0000467400000000, -0.0000269900000000, 0.0003634100000000 ] - [ 0.0000467400000000, -0.0000269900000000, 0.0003634100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002171900000000 ] - [ 0.0000000000000000, 0.0000539700000000, 0.0003634100000000 ] - [ 0.0010913800000000, 0.0006301100000000, -0.0015257600000000 ] - [ -0.0010913800000000, 0.0006301100000000, -0.0015257600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002498400000000 ] - [ 0.0000000000000000, -0.0012602100000000, -0.0015257600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0738820700000000 ] - [ 0.0000000000000000, -0.0021076500000000, 0.0095533800000000 ] - [ 0.0018252800000000, 0.0010538300000000, 0.0095533800000000 ] - [ -0.0018252800000000, 0.0010538300000000, 0.0095533800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0211924500000000 ] - [ 0.0000000000000000, -0.0001431300000000, -0.0047689900000000 ] - [ 0.0001239500000000, 0.0000715600000000, -0.0047689900000000 ] - [ -0.0001239500000000, 0.0000715600000000, -0.0047689900000000 ] - [ 0.0007020000000000, -0.0004053000000000, -0.0070432100000000 ] - [ -0.0007020000000000, -0.0004053000000000, -0.0070432100000000 ] - [ 0.0000000000000000, 0.0008106000000000, -0.0070432100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0062273700000000 ] - [ -0.0002259600000000, 0.0001304600000000, 0.0037674700000000 ] - [ 0.0002259600000000, 0.0001304600000000, 0.0037674700000000 ] - [ 0.0000000000000000, -0.0002609100000000, 0.0037674700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0043954300000000 ] - [ 0.0386709600000000, -0.0223266900000000, -0.0042660500000000 ] - [ 0.0392173500000000, -0.0224730200000000, -0.0039818300000000 ] - [ 0.0390708800000000, -0.0227267100000000, -0.0039818300000000 ] - [ 0.0388619600000000, -0.0224369600000000, -0.0042347300000000 ] - [ 0.0000000000000000, -0.0602645900000000, -0.0109457800000000 ] - [ 0.0000000000000000, -0.0448675500000000, 0.0040644000000000 ] - [ 0.0000333300000000, -0.0462561900000000, 0.0032572400000000 ] - [ -0.0000333300000000, -0.0462561900000000, 0.0032572400000000 ] - [ -0.0521906600000000, 0.0301322900000000, -0.0109457800000000 ] - [ -0.0400757000000000, 0.0230992400000000, 0.0032572400000000 ] - [ -0.0400423700000000, 0.0231569600000000, 0.0032572400000000 ] - [ -0.0388564400000000, 0.0224337700000000, 0.0040644000000000 ] - [ 0.0000000000000000, -0.0468053300000000, -0.0025500500000000 ] - [ 0.0000000000000000, -0.0446412700000000, -0.0044759400000000 ] - [ -0.0000786500000000, -0.0445377200000000, -0.0044974200000000 ] - [ 0.0000786500000000, -0.0445377200000000, -0.0044974200000000 ] - [ 0.0521906600000000, 0.0301322900000000, -0.0109457800000000 ] - [ 0.0400757000000000, 0.0230992400000000, 0.0032572400000000 ] - [ 0.0388564400000000, 0.0224337700000000, 0.0040644000000000 ] - [ 0.0400423700000000, 0.0231569600000000, 0.0032572400000000 ] - [ -0.0383047900000000, -0.0221784600000000, 0.0049016600000000 ] - [ -0.0385734200000000, -0.0222703700000000, 0.0047521400000000 ] - [ -0.0383595100000000, -0.0220836900000000, 0.0049016600000000 ] - [ -0.0385411700000000, -0.0222517600000000, 0.0046491700000000 ] - [ 0.0000547200000000, 0.0442621500000000, 0.0049016600000000 ] - [ -0.0000547200000000, 0.0442621500000000, 0.0049016600000000 ] - [ 0.0000000000000000, 0.0445407400000000, 0.0047521400000000 ] - [ 0.0000000000000000, 0.0445035200000000, 0.0046491700000000 ] - [ 0.0385734200000000, -0.0222703700000000, 0.0047521400000000 ] - [ 0.0383047900000000, -0.0221784600000000, 0.0049016600000000 ] - [ 0.0383595100000000, -0.0220836900000000, 0.0049016600000000 ] - [ 0.0385411700000000, -0.0222517600000000, 0.0046491700000000 ] - [ 0.0000000000000000, -0.0585383000000000, 0.0005961000000000 ] - [ 0.0000000000000000, -0.0584421200000000, 0.0003630900000000 ] - [ -0.0000278000000000, -0.0583626000000000, 0.0008012800000000 ] - [ 0.0000278000000000, -0.0583626000000000, 0.0008012800000000 ] - [ 0.0452223900000000, -0.0261091600000000, -0.0037721900000000 ] - [ 0.0494092600000000, -0.0285908600000000, -0.0011701200000000 ] - [ 0.0494650400000000, -0.0284942400000000, -0.0011701200000000 ] - [ 0.0504790900000000, -0.0291441200000000, -0.0005533500000000 ] - [ -0.0494092600000000, -0.0285908600000000, -0.0011701200000000 ] - [ -0.0452223900000000, -0.0261091600000000, -0.0037721900000000 ] - [ -0.0494650400000000, -0.0284942400000000, -0.0011701200000000 ] - [ -0.0504790900000000, -0.0291441200000000, -0.0005533500000000 ] - [ 0.0506956500000000, 0.0292691500000000, 0.0005961000000000 ] - [ 0.0505296000000000, 0.0292053800000000, 0.0008012800000000 ] - [ 0.0506123600000000, 0.0292210600000000, 0.0003630900000000 ] - [ 0.0505574000000000, 0.0291572300000000, 0.0008012800000000 ] - [ -0.0506956500000000, 0.0292691500000000, 0.0005961000000000 ] - [ -0.0505296000000000, 0.0292053800000000, 0.0008012800000000 ] - [ -0.0505574000000000, 0.0291572300000000, 0.0008012800000000 ] - [ -0.0506123600000000, 0.0292210600000000, 0.0003630900000000 ] - [ 0.0000557800000000, 0.0570851000000000, -0.0011701200000000 ] - [ -0.0000557800000000, 0.0570851000000000, -0.0011701200000000 ] - [ 0.0000000000000000, 0.0522183100000000, -0.0037721900000000 ] - [ 0.0000000000000000, 0.0582882300000000, -0.0005533500000000 ] - [ 0.0405346000000000, 0.0234026600000000, -0.0025500500000000 ] - [ 0.0385314800000000, 0.0223369700000000, -0.0044974200000000 ] - [ 0.0386604800000000, 0.0223206400000000, -0.0044759400000000 ] - [ 0.0386101200000000, 0.0222007500000000, -0.0044974200000000 ] - [ -0.0405346000000000, 0.0234026600000000, -0.0025500500000000 ] - [ -0.0385314800000000, 0.0223369700000000, -0.0044974200000000 ] - [ -0.0386101200000000, 0.0222007500000000, -0.0044974200000000 ] - [ -0.0386604800000000, 0.0223206400000000, -0.0044759400000000 ] - [ -0.0001464700000000, 0.0451997300000000, -0.0039818300000000 ] - [ 0.0001464700000000, 0.0451997300000000, -0.0039818300000000 ] - [ 0.0000000000000000, 0.0446533800000000, -0.0042660500000000 ] - [ 0.0000000000000000, 0.0448739200000000, -0.0042347300000000 ] - [ -0.0392173500000000, -0.0224730200000000, -0.0039818300000000 ] - [ -0.0386709600000000, -0.0223266900000000, -0.0042660500000000 ] - [ -0.0390708800000000, -0.0227267100000000, -0.0039818300000000 ] - [ -0.0388619600000000, -0.0224369600000000, -0.0042347300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0051181700000000 ] - [ 0.0000000000000000, -0.0000260900000000, -0.0019950100000000 ] - [ 0.0000225900000000, 0.0000130400000000, -0.0019950100000000 ] - [ -0.0000225900000000, 0.0000130400000000, -0.0019950100000000 ] - [ -0.0009003200000000, 0.0005198000000000, -0.0026477200000000 ] - [ 0.0009003200000000, 0.0005198000000000, -0.0026477200000000 ] - [ 0.0000000000000000, -0.0010396000000000, -0.0026477200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018706100000000 ] - [ 0.0014711100000000, -0.0008493500000000, 0.0026300800000000 ] - [ -0.0014711100000000, -0.0008493500000000, 0.0026300800000000 ] - [ 0.0000000000000000, 0.0016987000000000, 0.0026300800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020391700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007593900000000 ] - [ 0.0000000000000000, 0.0000332500000000, 0.0015246500000000 ] - [ -0.0000288000000000, -0.0000166300000000, 0.0015246500000000 ] - [ 0.0000288000000000, -0.0000166300000000, 0.0015246500000000 ] - [ 0.0000468700000000, 0.0000270600000000, -0.0003643100000000 ] - [ -0.0000468700000000, 0.0000270600000000, -0.0003643100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002177400000000 ] - [ 0.0000000000000000, -0.0000541200000000, -0.0003643100000000 ] - [ -0.0010935500000000, -0.0006313600000000, 0.0015283600000000 ] - [ 0.0010935500000000, -0.0006313600000000, 0.0015283600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002508800000000 ] - [ 0.0000000000000000, 0.0012627300000000, 0.0015283600000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001041700000000, 0.0000994500000000, 0.0053864600000000 ] - [ 0.0003714100000000, -0.0010875300000000, 0.0048414300000000 ] - [ 0.0010530600000000, 0.0002193100000000, 0.0049874000000000 ] - [ -0.0001718300000000, 0.0000789400000000, 0.0051958200000000 ] - [ -0.0000567000000000, 0.0000272100000000, -0.0054850900000000 ] - [ 0.0000948400000000, 0.0000750600000000, -0.0057519300000000 ] - [ -0.0000446300000000, -0.0001067500000000, -0.0056988100000000 ] - [ 0.0000054500000000, 0.0000046300000000, -0.0055166000000000 ] - [ 0.0219984700000000, -0.0100718800000000, 0.0086004100000000 ] - [ -0.0012161200000000, -0.0008801600000000, -0.0039864300000000 ] - [ 0.0002893000000000, 0.0013903400000000, -0.0040182800000000 ] - [ 0.0000580000000000, -0.0002036600000000, -0.0052014300000000 ] - [ 0.0022875600000000, -0.0007095600000000, 0.0035290300000000 ] - [ -0.0002779200000000, -0.0000439200000000, 0.0055242600000000 ] - [ -0.0000132500000000, 0.0002462300000000, 0.0054472200000000 ] - [ 0.0000096200000000, -0.0000743800000000, 0.0053982300000000 ] - [ 0.0055079900000000, -0.0072951900000000, -0.0230848700000000 ] - [ 0.0391947200000000, -0.0224429600000000, -0.0043099700000000 ] - [ 0.0389065800000000, -0.0226077300000000, -0.0043942800000000 ] - [ 0.0386628400000000, -0.0221717000000000, -0.0045074200000000 ] - [ 0.0000177400000000, -0.0447601200000000, 0.0043519000000000 ] - [ 0.0003280400000000, -0.0436833300000000, 0.0056489400000000 ] - [ -0.0000241300000000, -0.0447365000000000, 0.0043883500000000 ] - [ 0.0000166600000000, -0.0447180500000000, 0.0044180200000000 ] - [ -0.0386481600000000, 0.0223162500000000, 0.0044170000000000 ] - [ -0.0389353800000000, 0.0224643900000000, 0.0043319900000000 ] - [ -0.0388899300000000, 0.0224903200000000, 0.0042354300000000 ] - [ -0.0386261200000000, 0.0222945200000000, 0.0044873800000000 ] - [ 0.0000115900000000, -0.0447400600000000, -0.0043417900000000 ] - [ -0.0000089800000000, -0.0448203200000000, -0.0042937400000000 ] - [ 0.0000010800000000, -0.0447341600000000, -0.0043410900000000 ] - [ -0.0000043700000000, -0.0447468900000000, -0.0043606600000000 ] - [ 0.0387454400000000, 0.0223499700000000, 0.0043743500000000 ] - [ 0.0387460800000000, 0.0223987400000000, 0.0044705700000000 ] - [ 0.0378756800000000, 0.0219926300000000, 0.0048749300000000 ] - [ 0.0387512900000000, 0.0223528300000000, 0.0044055000000000 ] - [ -0.0387735500000000, -0.0221973500000000, 0.0045641500000000 ] - [ -0.0386758600000000, -0.0223142000000000, 0.0043722300000000 ] - [ -0.0387302700000000, -0.0223893800000000, 0.0043801600000000 ] - [ -0.0387306200000000, -0.0223713900000000, 0.0044171800000000 ] - [ -0.0002198300000000, 0.0444548900000000, 0.0046233100000000 ] - [ 0.0000302200000000, 0.0447470700000000, 0.0043739000000000 ] - [ -0.0000241000000000, 0.0446280500000000, 0.0043917200000000 ] - [ 0.0000144600000000, 0.0447564900000000, 0.0044070800000000 ] - [ 0.0378485300000000, -0.0218565400000000, 0.0050173000000000 ] - [ 0.0388638800000000, -0.0223902400000000, 0.0043505800000000 ] - [ 0.0387758600000000, -0.0224417800000000, 0.0043751600000000 ] - [ 0.0386921500000000, -0.0223332100000000, 0.0044241200000000 ] - [ -0.0000594400000000, -0.0591738100000000, -0.0005459900000000 ] - [ -0.0000051600000000, -0.0583762300000000, -0.0000624100000000 ] - [ -0.0001815400000000, -0.0576148000000000, 0.0007194700000000 ] - [ 0.0001016700000000, -0.0584042700000000, -0.0001162100000000 ] - [ 0.0505716500000000, -0.0292008600000000, 0.0000160800000000 ] - [ 0.0505529000000000, -0.0291210900000000, 0.0002089800000000 ] - [ 0.0504975300000000, -0.0292055900000000, 0.0001349400000000 ] - [ 0.0505729200000000, -0.0291956200000000, 0.0000686900000000 ] - [ -0.0506144000000000, -0.0291970000000000, 0.0001356300000000 ] - [ -0.0505019400000000, -0.0291744200000000, 0.0000170400000000 ] - [ -0.0505456700000000, -0.0291999600000000, 0.0000508800000000 ] - [ -0.0507721800000000, -0.0293151900000000, 0.0003468600000000 ] - [ 0.0509998000000000, 0.0296733000000000, -0.0005938200000000 ] - [ 0.0486433800000000, 0.0292278300000000, -0.0003304900000000 ] - [ 0.0506282500000000, 0.0292484500000000, -0.0000439400000000 ] - [ 0.0506117600000000, 0.0291156300000000, -0.0001159500000000 ] - [ -0.0461324300000000, 0.0267730100000000, 0.0054592200000000 ] - [ -0.0504810400000000, 0.0292621300000000, -0.0002010200000000 ] - [ -0.0506700100000000, 0.0291659600000000, -0.0001583800000000 ] - [ -0.0505988700000000, 0.0292245200000000, -0.0000499200000000 ] - [ -0.0000225200000000, 0.0584157900000000, 0.0001018800000000 ] - [ 0.0000168900000000, 0.0583712100000000, 0.0000570800000000 ] - [ 0.0000081300000000, 0.0583249900000000, 0.0000088800000000 ] - [ -0.0000009300000000, 0.0586381700000000, 0.0003630600000000 ] - [ 0.0387497900000000, 0.0223640500000000, -0.0043447100000000 ] - [ 0.0387500800000000, 0.0223762600000000, -0.0043302800000000 ] - [ 0.0388032900000000, 0.0224141400000000, -0.0042987200000000 ] - [ 0.0387504400000000, 0.0223737500000000, -0.0043630400000000 ] - [ -0.0386882100000000, 0.0223389400000000, -0.0043639100000000 ] - [ -0.0388317700000000, 0.0223938500000000, -0.0042889700000000 ] - [ -0.0387886400000000, 0.0224191900000000, -0.0043031600000000 ] - [ -0.0387395400000000, 0.0223641400000000, -0.0043641100000000 ] - [ -0.0002718100000000, 0.0429168200000000, -0.0053642900000000 ] - [ 0.0001130400000000, 0.0446855600000000, -0.0044703000000000 ] - [ 0.0002506800000000, 0.0424045800000000, -0.0051928900000000 ] - [ 0.0000081500000000, 0.0447458300000000, -0.0043993600000000 ] - [ -0.0357969600000000, -0.0223898900000000, -0.0043154500000000 ] - [ -0.0354180700000000, -0.0218261200000000, -0.0050342200000000 ] - [ -0.0387015400000000, -0.0223951700000000, -0.0044435200000000 ] - [ -0.0387017400000000, -0.0222742400000000, -0.0044449100000000 ] - [ -0.0003060600000000, 0.0002488200000000, -0.0015823200000000 ] - [ -0.0000450700000000, -0.0005740200000000, -0.0017805300000000 ] - [ 0.0009347500000000, 0.0007527900000000, -0.0017027800000000 ] - [ -0.0001580700000000, 0.0000983700000000, -0.0018032900000000 ] - [ 0.0000251000000000, -0.0000067400000000, -0.0020377500000000 ] - [ -0.0000346900000000, 0.0000011500000000, -0.0018796700000000 ] - [ -0.0000103100000000, 0.0000273900000000, -0.0018804700000000 ] - [ 0.0000166800000000, -0.0000137500000000, -0.0019328400000000 ] - [ 0.0011693500000000, -0.0005018300000000, 0.0010088000000000 ] - [ -0.0001984300000000, -0.0000247100000000, 0.0017593600000000 ] - [ -0.0000405200000000, 0.0001449000000000, 0.0017685400000000 ] - [ 0.0000195200000000, -0.0000546100000000, 0.0018872100000000 ] - [ -0.0003058800000000, 0.0001685100000000, 0.0014472800000000 ] - [ 0.0001192300000000, 0.0000529600000000, 0.0017847300000000 ] - [ 0.0000128200000000, -0.0001562800000000, 0.0017472400000000 ] - [ -0.0000170300000000, 0.0000161200000000, 0.0018328800000000 ] - [ 0.0001936000000000, 0.0003947700000000, -0.0000014900000000 ] - [ -0.0000157800000000, -0.0000189900000000, 0.0000394400000000 ] - [ -0.0000797400000000, 0.0001747000000000, 0.0007714000000000 ] - [ -0.0003416300000000, -0.0003833300000000, -0.0000748300000000 ] - [ 0.0000610000000000, 0.0000092300000000, -0.0000314600000000 ] - [ -0.0000676400000000, 0.0000189500000000, -0.0000412000000000 ] - [ -0.0000249200000000, 0.0000422400000000, -0.0001540600000000 ] - [ 0.0000051600000000, -0.0000488600000000, -0.0000120600000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001046100000000, -0.0000989600000000, 0.0052973200000000 ] - [ -0.0003770900000000, 0.0010952600000000, 0.0058424400000000 ] - [ -0.0010517100000000, -0.0002154800000000, 0.0056925400000000 ] - [ 0.0001708700000000, -0.0000789000000000, 0.0054884400000000 ] - [ 0.0000563900000000, -0.0000264700000000, -0.0052002800000000 ] - [ -0.0000969300000000, -0.0000753500000000, -0.0049313900000000 ] - [ 0.0000441200000000, 0.0001079200000000, -0.0049875100000000 ] - [ -0.0000066200000000, -0.0000042700000000, -0.0051676900000000 ] - [ -0.0214132500000000, 0.0096608900000000, -0.0187541800000000 ] - [ 0.0012182500000000, 0.0008914900000000, -0.0067142700000000 ] - [ -0.0002913700000000, -0.0013957500000000, -0.0066732600000000 ] - [ -0.0000564800000000, 0.0002032200000000, -0.0054826000000000 ] - [ -0.0022794500000000, 0.0007026200000000, 0.0071581100000000 ] - [ 0.0002781200000000, 0.0000419000000000, 0.0051549100000000 ] - [ 0.0000135500000000, -0.0002458100000000, 0.0052353800000000 ] - [ -0.0000075800000000, 0.0000737900000000, 0.0052863500000000 ] - [ 0.0712898500000000, -0.0369630700000000, 0.0137154400000000 ] - [ 0.0382303900000000, -0.0222616800000000, -0.0045031600000000 ] - [ 0.0385199300000000, -0.0220929500000000, -0.0044206200000000 ] - [ 0.0387649100000000, -0.0225326000000000, -0.0043073000000000 ] - [ -0.0000176400000000, -0.0446505800000000, 0.0044617800000000 ] - [ -0.0003245100000000, -0.0457375200000000, 0.0031550100000000 ] - [ 0.0000249900000000, -0.0446755700000000, 0.0044255100000000 ] - [ -0.0000155400000000, -0.0446922900000000, 0.0043954600000000 ] - [ -0.0387809200000000, 0.0223873000000000, 0.0043972900000000 ] - [ -0.0384902200000000, 0.0222390400000000, 0.0044848100000000 ] - [ -0.0385388500000000, 0.0222106900000000, 0.0045822900000000 ] - [ -0.0388018100000000, 0.0224087200000000, 0.0043272900000000 ] - [ -0.0000130500000000, -0.0446670000000000, -0.0044716400000000 ] - [ 0.0000077600000000, -0.0445860700000000, -0.0045204100000000 ] - [ -0.0000025000000000, -0.0446733600000000, -0.0044722900000000 ] - [ 0.0000030200000000, -0.0446597300000000, -0.0044532800000000 ] - [ 0.0386813100000000, 0.0223548600000000, 0.0044402500000000 ] - [ 0.0386819100000000, 0.0223059900000000, 0.0043433100000000 ] - [ 0.0395536400000000, 0.0227012800000000, 0.0039543100000000 ] - [ 0.0386765000000000, 0.0223517700000000, 0.0044081700000000 ] - [ -0.0386604400000000, -0.0225074200000000, 0.0042479200000000 ] - [ -0.0387552100000000, -0.0223894300000000, 0.0044427000000000 ] - [ -0.0387017700000000, -0.0223151300000000, 0.0044336000000000 ] - [ -0.0387021200000000, -0.0223330700000000, 0.0043959600000000 ] - [ 0.0002205900000000, 0.0449542200000000, 0.0041880200000000 ] - [ -0.0000286100000000, 0.0446585100000000, 0.0044408700000000 ] - [ 0.0000257100000000, 0.0447781500000000, 0.0044227300000000 ] - [ -0.0000131400000000, 0.0446500400000000, 0.0044068600000000 ] - [ 0.0395797700000000, -0.0228464300000000, 0.0037972400000000 ] - [ 0.0385636800000000, -0.0223124000000000, 0.0044650500000000 ] - [ 0.0386524500000000, -0.0222617300000000, 0.0044396500000000 ] - [ 0.0387363900000000, -0.0223702200000000, 0.0043905400000000 ] - [ 0.0000588400000000, -0.0576170700000000, 0.0005507200000000 ] - [ 0.0000066900000000, -0.0584213200000000, 0.0000630000000000 ] - [ 0.0001832100000000, -0.0591801800000000, -0.0007157500000000 ] - [ -0.0001004400000000, -0.0583933900000000, 0.0001178900000000 ] - [ 0.0505789200000000, -0.0291985800000000, -0.0000157000000000 ] - [ 0.0505988700000000, -0.0292792400000000, -0.0002096500000000 ] - [ 0.0506540700000000, -0.0291950700000000, -0.0001331000000000 ] - [ 0.0505781900000000, -0.0292040300000000, -0.0000686800000000 ] - [ -0.0505351500000000, -0.0292005600000000, -0.0001349700000000 ] - [ -0.0506489200000000, -0.0292237700000000, -0.0000160900000000 ] - [ -0.0506045400000000, -0.0291979100000000, -0.0000503200000000 ] - [ -0.0503780500000000, -0.0290824100000000, -0.0003459300000000 ] - [ 0.0501488600000000, 0.0287208600000000, 0.0005999700000000 ] - [ 0.0525002300000000, 0.0291749500000000, 0.0003215400000000 ] - [ 0.0505214500000000, 0.0291486000000000, 0.0000429300000000 ] - [ 0.0505386500000000, 0.0292821600000000, 0.0001157000000000 ] - [ -0.0550019200000000, 0.0316117300000000, -0.0054345400000000 ] - [ -0.0506674600000000, 0.0291363600000000, 0.0002039700000000 ] - [ -0.0504789700000000, 0.0292317500000000, 0.0001590000000000 ] - [ -0.0505529500000000, 0.0291755100000000, 0.0000498900000000 ] - [ 0.0000212600000000, 0.0583811400000000, -0.0001013200000000 ] - [ -0.0000179600000000, 0.0584268600000000, -0.0000576900000000 ] - [ -0.0000093600000000, 0.0584725100000000, -0.0000092000000000 ] - [ -0.0000002500000000, 0.0581562300000000, -0.0003667800000000 ] - [ 0.0386824200000000, 0.0223401500000000, -0.0044686100000000 ] - [ 0.0386827500000000, 0.0223280700000000, -0.0044831800000000 ] - [ 0.0386295000000000, 0.0222901700000000, -0.0045144800000000 ] - [ 0.0386820200000000, 0.0223305400000000, -0.0044503700000000 ] - [ -0.0387405400000000, 0.0223644400000000, -0.0044502500000000 ] - [ -0.0385960900000000, 0.0223092000000000, -0.0045260700000000 ] - [ -0.0386401900000000, 0.0222841300000000, -0.0045111400000000 ] - [ -0.0386888500000000, 0.0223391400000000, -0.0044504700000000 ] - [ 0.0002691300000000, 0.0464856900000000, -0.0034504300000000 ] - [ -0.0001142000000000, 0.0447243000000000, -0.0043434000000000 ] - [ -0.0002446400000000, 0.0470218500000000, -0.0036123600000000 ] - [ -0.0000101700000000, 0.0446639500000000, -0.0044140500000000 ] - [ -0.0415465100000000, -0.0223279000000000, -0.0044798700000000 ] - [ -0.0420795300000000, -0.0228837900000000, -0.0037738300000000 ] - [ -0.0387253600000000, -0.0223097600000000, -0.0043709200000000 ] - [ -0.0387256500000000, -0.0224301600000000, -0.0043690300000000 ] - [ 0.0003096000000000, -0.0002461700000000, -0.0020853000000000 ] - [ 0.0000358900000000, 0.0005649300000000, -0.0018879200000000 ] - [ -0.0009226700000000, -0.0007233500000000, -0.0019650700000000 ] - [ 0.0001596200000000, -0.0000983200000000, -0.0018644400000000 ] - [ -0.0000241200000000, 0.0000082600000000, -0.0016302300000000 ] - [ 0.0000360800000000, 0.0000006300000000, -0.0017890800000000 ] - [ 0.0000112400000000, -0.0000255800000000, -0.0017883100000000 ] - [ -0.0000149300000000, 0.0000159500000000, -0.0017352300000000 ] - [ -0.0011564400000000, 0.0004873500000000, 0.0026296500000000 ] - [ 0.0001979600000000, 0.0000230100000000, 0.0019108700000000 ] - [ 0.0000387700000000, -0.0001463200000000, 0.0019006800000000 ] - [ -0.0000200100000000, 0.0000532200000000, 0.0017810200000000 ] - [ 0.0003053600000000, -0.0001703800000000, 0.0022190700000000 ] - [ -0.0001216300000000, -0.0000548900000000, 0.0018838400000000 ] - [ -0.0000142000000000, 0.0001550500000000, 0.0019212000000000 ] - [ 0.0000161900000000, -0.0000185300000000, 0.0018349300000000 ] - [ -0.0001916900000000, -0.0003965900000000, 0.0000023000000000 ] - [ 0.0000159200000000, 0.0000196400000000, -0.0000395700000000 ] - [ 0.0000716200000000, -0.0001725300000000, -0.0007641600000000 ] - [ 0.0003444500000000, 0.0003819700000000, 0.0000741600000000 ] - [ -0.0000620100000000, -0.0000090900000000, 0.0000312200000000 ] - [ 0.0000675500000000, -0.0000181200000000, 0.0000411200000000 ] - [ 0.0000234100000000, -0.0000428000000000, 0.0001534900000000 ] - [ -0.0000051800000000, 0.0000491300000000, 0.0000116700000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000831100000000, -0.0000479800000000, 0.0051985600000000 ] - [ 0.0002154200000000, -0.0009023800000000, 0.0049147900000000 ] - [ 0.0008891900000000, 0.0002646300000000, 0.0049147900000000 ] - [ -0.0001019400000000, 0.0000588600000000, 0.0051673500000000 ] - [ 0.0000154000000000, -0.0000088900000000, -0.0056832400000000 ] - [ 0.0000403300000000, 0.0000280000000000, -0.0058321300000000 ] - [ -0.0000040800000000, -0.0000489300000000, -0.0058321300000000 ] - [ 0.0000088700000000, -0.0000051200000000, -0.0055803100000000 ] - [ 0.0133937100000000, -0.0077328600000000, 0.0102139500000000 ] - [ -0.0006346500000000, -0.0006063100000000, -0.0041911700000000 ] - [ 0.0002077600000000, 0.0008527800000000, -0.0041911700000000 ] - [ 0.0000520100000000, -0.0000300300000000, -0.0049972300000000 ] - [ 0.0012500400000000, -0.0007217100000000, 0.0034888800000000 ] - [ -0.0000633400000000, -0.0000297400000000, 0.0054312500000000 ] - [ -0.0000059200000000, 0.0000697200000000, 0.0054312500000000 ] - [ 0.0000280600000000, -0.0000162000000000, 0.0054092400000000 ] - [ 0.0201092000000000, -0.0116100500000000, -0.0249546300000000 ] - [ 0.0388097800000000, -0.0223106000000000, -0.0045011000000000 ] - [ 0.0387264300000000, -0.0224549600000000, -0.0045011000000000 ] - [ 0.0386137900000000, -0.0222936800000000, -0.0045293200000000 ] - [ -0.0000819200000000, -0.0446779800000000, 0.0044271400000000 ] - [ 0.0007771900000000, -0.0437263100000000, 0.0058822600000000 ] - [ -0.0000220800000000, -0.0447545600000000, 0.0044272700000000 ] - [ 0.0000125200000000, -0.0446980200000000, 0.0044247300000000 ] - [ -0.0387039600000000, 0.0223457400000000, 0.0044020800000000 ] - [ -0.0387898400000000, 0.0225072200000000, 0.0043588800000000 ] - [ -0.0388867500000000, 0.0223393700000000, 0.0043588800000000 ] - [ -0.0386337400000000, 0.0223052000000000, 0.0044717200000000 ] - [ 0.0000107300000000, -0.0447859200000000, -0.0042965300000000 ] - [ -0.0000054900000000, -0.0448314200000000, -0.0042701500000000 ] - [ -0.0000030800000000, -0.0447770500000000, -0.0042967700000000 ] - [ -0.0000027200000000, -0.0447557700000000, -0.0043450200000000 ] - [ 0.0386513000000000, 0.0224099300000000, 0.0044271400000000 ] - [ 0.0387475500000000, 0.0223964000000000, 0.0044272700000000 ] - [ 0.0382566900000000, 0.0211900900000000, 0.0058822600000000 ] - [ 0.0387158800000000, 0.0223381700000000, 0.0044247300000000 ] - [ -0.0385576600000000, -0.0221935800000000, 0.0047403700000000 ] - [ -0.0387499600000000, -0.0223497100000000, 0.0044346500000000 ] - [ -0.0387043500000000, -0.0223582400000000, 0.0044056700000000 ] - [ -0.0387415300000000, -0.0223752000000000, 0.0044058300000000 ] - [ -0.0000586300000000, 0.0444887000000000, 0.0047403700000000 ] - [ 0.0000106300000000, 0.0446980700000000, 0.0044056700000000 ] - [ -0.0000195600000000, 0.0447333000000000, 0.0044346500000000 ] - [ 0.0000067300000000, 0.0447387500000000, 0.0044058300000000 ] - [ 0.0381048100000000, -0.0219998200000000, 0.0049151100000000 ] - [ 0.0387713700000000, -0.0223557200000000, 0.0044033100000000 ] - [ 0.0387463100000000, -0.0223991300000000, 0.0044033100000000 ] - [ 0.0386970800000000, -0.0223417700000000, 0.0044266200000000 ] - [ 0.0000746600000000, -0.0590095500000000, -0.0003859700000000 ] - [ -0.0000138900000000, -0.0584737100000000, -0.0000805200000000 ] - [ 0.0008045000000000, -0.0584261600000000, 0.0010616000000000 ] - [ -0.0000001200000000, -0.0584542300000000, -0.0001340100000000 ] - [ 0.0504691800000000, -0.0291383900000000, 0.0001384500000000 ] - [ 0.0505668800000000, -0.0291235100000000, 0.0002355100000000 ] - [ 0.0505051400000000, -0.0292304400000000, 0.0002355100000000 ] - [ 0.0505584800000000, -0.0291899500000000, 0.0000839500000000 ] - [ -0.0505237100000000, -0.0291544600000000, 0.0001815600000000 ] - [ -0.0505314000000000, -0.0291788200000000, 0.0000939100000000 ] - [ -0.0505424300000000, -0.0291939700000000, 0.0000762900000000 ] - [ -0.0507128200000000, -0.0292794400000000, 0.0003056200000000 ] - [ 0.0511411000000000, 0.0294401200000000, -0.0003859700000000 ] - [ 0.0510007900000000, 0.0285163600000000, 0.0010616000000000 ] - [ 0.0506327800000000, 0.0292488900000000, -0.0000805200000000 ] - [ 0.0506227900000000, 0.0292272100000000, -0.0001340100000000 ] - [ -0.0472729600000000, 0.0272930600000000, 0.0044274900000000 ] - [ -0.0506928000000000, 0.0292321900000000, -0.0001579200000000 ] - [ -0.0506622200000000, 0.0292851600000000, -0.0001579200000000 ] - [ -0.0506200000000000, 0.0292254700000000, -0.0000767900000000 ] - [ -0.0000133600000000, 0.0583320500000000, 0.0001815600000000 ] - [ 0.0000115000000000, 0.0583680100000000, 0.0000762900000000 ] - [ 0.0000039000000000, 0.0583508900000000, 0.0000939100000000 ] - [ 0.0000003300000000, 0.0585583100000000, 0.0003056200000000 ] - [ 0.0387911200000000, 0.0223836700000000, -0.0042965300000000 ] - [ 0.0387765200000000, 0.0223912000000000, -0.0042967700000000 ] - [ 0.0388224000000000, 0.0224204600000000, -0.0042701500000000 ] - [ 0.0387582800000000, 0.0223802400000000, -0.0043450200000000 ] - [ -0.0387568000000000, 0.0223762500000000, -0.0043120300000000 ] - [ -0.0388321600000000, 0.0224029800000000, -0.0042761000000000 ] - [ -0.0388176300000000, 0.0224281500000000, -0.0042761000000000 ] - [ -0.0387570400000000, 0.0223763800000000, -0.0043411300000000 ] - [ -0.0010449500000000, 0.0442017800000000, -0.0064211000000000 ] - [ 0.0000455300000000, 0.0446866900000000, -0.0044859100000000 ] - [ -0.0001554400000000, 0.0438775000000000, -0.0054410000000000 ] - [ -0.0000273300000000, 0.0446461300000000, -0.0044859000000000 ] - [ -0.0388023400000000, -0.0211959400000000, -0.0064211000000000 ] - [ -0.0380767500000000, -0.0218041400000000, -0.0054410000000000 ] - [ -0.0386770500000000, -0.0223827800000000, -0.0044859100000000 ] - [ -0.0386783500000000, -0.0222994000000000, -0.0044859000000000 ] - [ -0.0001140400000000, 0.0000658400000000, -0.0015864400000000 ] - [ -0.0002169800000000, -0.0005637200000000, -0.0015207100000000 ] - [ 0.0003797100000000, 0.0004697700000000, -0.0015207100000000 ] - [ -0.0000786200000000, 0.0000453900000000, -0.0017666600000000 ] - [ 0.0000167800000000, -0.0000096900000000, -0.0021002800000000 ] - [ -0.0000182800000000, 0.0000135900000000, -0.0019286100000000 ] - [ -0.0000209100000000, 0.0000090300000000, -0.0019286100000000 ] - [ 0.0000202100000000, -0.0000116700000000, -0.0019445100000000 ] - [ -0.0000346100000000, 0.0000199800000000, 0.0021729600000000 ] - [ -0.0001202000000000, -0.0000025500000000, 0.0018297800000000 ] - [ -0.0000579000000000, 0.0001053700000000, 0.0018297800000000 ] - [ 0.0000323000000000, -0.0000186500000000, 0.0018850800000000 ] - [ -0.0002851900000000, 0.0001646500000000, 0.0014737800000000 ] - [ 0.0001610100000000, 0.0000908000000000, 0.0017067900000000 ] - [ 0.0000018700000000, -0.0001848300000000, 0.0017067900000000 ] - [ 0.0000067800000000, -0.0000039200000000, 0.0018058100000000 ] - [ 0.0000899200000000, 0.0003745500000000, 0.0001269100000000 ] - [ -0.0000121800000000, 0.0000070300000000, 0.0000554800000000 ] - [ -0.0000063100000000, 0.0000036400000000, 0.0008325100000000 ] - [ -0.0002794100000000, -0.0002651500000000, 0.0001269100000000 ] - [ 0.0000358500000000, -0.0000193900000000, -0.0000630700000000 ] - [ -0.0000383300000000, 0.0000221300000000, -0.0000486900000000 ] - [ -0.0000512100000000, 0.0000295700000000, -0.0001686300000000 ] - [ 0.0000347200000000, -0.0000213600000000, -0.0000630700000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000852800000000, 0.0000492400000000, 0.0054853900000000 ] - [ -0.0002203200000000, 0.0009112200000000, 0.0057689100000000 ] - [ -0.0008993000000000, -0.0002648100000000, 0.0057689100000000 ] - [ 0.0001009700000000, -0.0000582900000000, 0.0055162900000000 ] - [ -0.0000174800000000, 0.0000100900000000, -0.0049990700000000 ] - [ -0.0000418000000000, -0.0000274300000000, -0.0048487400000000 ] - [ 0.0000028600000000, 0.0000499100000000, -0.0048487400000000 ] - [ -0.0000101300000000, 0.0000058500000000, -0.0051024900000000 ] - [ -0.0130153800000000, 0.0075144300000000, -0.0207139800000000 ] - [ 0.0006366300000000, 0.0006053800000000, -0.0064906500000000 ] - [ -0.0002059600000000, -0.0008540300000000, -0.0064906500000000 ] - [ -0.0000506500000000, 0.0000292400000000, -0.0056858300000000 ] - [ -0.0012489800000000, 0.0007211000000000, 0.0071997100000000 ] - [ 0.0000636000000000, 0.0000294200000000, 0.0052541700000000 ] - [ 0.0000063200000000, -0.0000697800000000, 0.0052541700000000 ] - [ -0.0000268300000000, 0.0000154900000000, 0.0052755500000000 ] - [ 0.0569072700000000, -0.0328554300000000, 0.0159394800000000 ] - [ 0.0386169100000000, -0.0223917300000000, -0.0043148700000000 ] - [ 0.0387002600000000, -0.0222473600000000, -0.0043148700000000 ] - [ 0.0388140400000000, -0.0224093000000000, -0.0042856200000000 ] - [ 0.0000825200000000, -0.0447302900000000, 0.0043875400000000 ] - [ -0.0007961600000000, -0.0456981300000000, 0.0029040100000000 ] - [ 0.0000218700000000, -0.0446532500000000, 0.0043877900000000 ] - [ -0.0000126700000000, -0.0447098200000000, 0.0043899800000000 ] - [ -0.0387238400000000, 0.0223572200000000, 0.0044137100000000 ] - [ -0.0386371800000000, 0.0221950500000000, 0.0044583800000000 ] - [ -0.0385400700000000, 0.0223632500000000, 0.0044583800000000 ] - [ -0.0387939600000000, 0.0223977000000000, 0.0043442900000000 ] - [ -0.0000108500000000, -0.0446220400000000, -0.0045175900000000 ] - [ 0.0000053300000000, -0.0445760500000000, -0.0045445200000000 ] - [ 0.0000030400000000, -0.0446306400000000, -0.0045179200000000 ] - [ 0.0000025700000000, -0.0446521300000000, -0.0044692500000000 ] - [ 0.0387788300000000, 0.0222936800000000, 0.0043875400000000 ] - [ 0.0386817900000000, 0.0223076900000000, 0.0043877900000000 ] - [ 0.0391776600000000, 0.0235385600000000, 0.0029040100000000 ] - [ 0.0387135100000000, 0.0223658800000000, 0.0043899800000000 ] - [ -0.0388739200000000, -0.0225135700000000, 0.0040734000000000 ] - [ -0.0386797200000000, -0.0223546500000000, 0.0043793800000000 ] - [ -0.0387256900000000, -0.0223462600000000, 0.0044082500000000 ] - [ -0.0386883100000000, -0.0223289400000000, 0.0044082600000000 ] - [ 0.0000603600000000, 0.0449225900000000, 0.0040734000000000 ] - [ -0.0000104100000000, 0.0447105600000000, 0.0044082500000000 ] - [ 0.0000198300000000, 0.0446749400000000, 0.0043793800000000 ] - [ -0.0000067200000000, 0.0446695400000000, 0.0044082600000000 ] - [ 0.0393250800000000, -0.0227043400000000, 0.0038981200000000 ] - [ 0.0386571100000000, -0.0223476500000000, 0.0044114600000000 ] - [ 0.0386821900000000, -0.0223042200000000, 0.0044114600000000 ] - [ 0.0387310100000000, -0.0223613600000000, 0.0043885000000000 ] - [ -0.0000762500000000, -0.0577836700000000, 0.0003866800000000 ] - [ 0.0000151400000000, -0.0583239100000000, 0.0000805100000000 ] - [ -0.0007774000000000, -0.0583701500000000, -0.0010309000000000 ] - [ 0.0000015200000000, -0.0583431200000000, 0.0001341700000000 ] - [ 0.0506835200000000, -0.0292621400000000, -0.0001389500000000 ] - [ 0.0505842900000000, -0.0292770200000000, -0.0002374200000000 ] - [ 0.0506467900000000, -0.0291687700000000, -0.0002374200000000 ] - [ 0.0505931700000000, -0.0292099800000000, -0.0000837400000000 ] - [ -0.0506274000000000, -0.0292438000000000, -0.0001819500000000 ] - [ -0.0506192200000000, -0.0292192000000000, -0.0000937500000000 ] - [ -0.0506087100000000, -0.0292043200000000, -0.0000760500000000 ] - [ -0.0504358400000000, -0.0291173600000000, -0.0003078900000000 ] - [ 0.0500040000000000, 0.0289578700000000, 0.0003866800000000 ] - [ 0.0501613300000000, 0.0298583200000000, -0.0010309000000000 ] - [ 0.0505175500000000, 0.0291488400000000, 0.0000805100000000 ] - [ 0.0505273900000000, 0.0291702500000000, 0.0001341700000000 ] - [ -0.0538661900000000, 0.0310996600000000, -0.0044213600000000 ] - [ -0.0504561200000000, 0.0291674400000000, 0.0001578000000000 ] - [ -0.0504878000000000, 0.0291125600000000, 0.0001578000000000 ] - [ -0.0505315200000000, 0.0291743900000000, 0.0000769600000000 ] - [ 0.0000121800000000, 0.0584665200000000, -0.0001819500000000 ] - [ -0.0000126700000000, 0.0584305800000000, -0.0000760500000000 ] - [ -0.0000050400000000, 0.0584471300000000, -0.0000937500000000 ] - [ -0.0000015400000000, 0.0582374000000000, -0.0003078900000000 ] - [ 0.0386384000000000, 0.0223204200000000, -0.0045175900000000 ] - [ 0.0386527900000000, 0.0223126900000000, -0.0045179200000000 ] - [ 0.0386066600000000, 0.0222834100000000, -0.0045445200000000 ] - [ 0.0386711700000000, 0.0223238400000000, -0.0044692500000000 ] - [ -0.0386705900000000, 0.0223264700000000, -0.0045034400000000 ] - [ -0.0385952100000000, 0.0222997700000000, -0.0045395300000000 ] - [ -0.0386097700000000, 0.0222745500000000, -0.0045395300000000 ] - [ -0.0386707300000000, 0.0223265600000000, -0.0044741800000000 ] - [ 0.0010336200000000, 0.0452118900000000, -0.0023986700000000 ] - [ -0.0000450700000000, 0.0447221900000000, -0.0043280500000000 ] - [ 0.0001649000000000, 0.0455177400000000, -0.0033695700000000 ] - [ 0.0000269200000000, 0.0447614200000000, -0.0043280800000000 ] - [ -0.0386378400000000, -0.0235010800000000, -0.0023986700000000 ] - [ -0.0393370700000000, -0.0229016700000000, -0.0033695700000000 ] - [ -0.0387530900000000, -0.0223220700000000, -0.0043280500000000 ] - [ -0.0387510700000000, -0.0224040300000000, -0.0043280800000000 ] - [ 0.0001150800000000, -0.0000664400000000, -0.0020820200000000 ] - [ 0.0002164200000000, 0.0005639400000000, -0.0021505800000000 ] - [ -0.0003801800000000, -0.0004693900000000, -0.0021505800000000 ] - [ 0.0000780000000000, -0.0000450300000000, -0.0019013700000000 ] - [ -0.0000167400000000, 0.0000096700000000, -0.0015663200000000 ] - [ 0.0000184300000000, -0.0000138100000000, -0.0017384700000000 ] - [ 0.0000211700000000, -0.0000090600000000, -0.0017384700000000 ] - [ -0.0000203500000000, 0.0000117500000000, -0.0017224300000000 ] - [ 0.0000646500000000, -0.0000373300000000, 0.0014492100000000 ] - [ 0.0001205500000000, 0.0000020600000000, 0.0018369700000000 ] - [ 0.0000584900000000, -0.0001054300000000, 0.0018369700000000 ] - [ -0.0000324500000000, 0.0000187300000000, 0.0017822900000000 ] - [ 0.0002853400000000, -0.0001647400000000, 0.0021948800000000 ] - [ -0.0001610800000000, -0.0000910900000000, 0.0019617700000000 ] - [ -0.0000016500000000, 0.0001850400000000, 0.0019617700000000 ] - [ -0.0000069300000000, 0.0000040000000000, 0.0018627400000000 ] - [ -0.0000896100000000, -0.0003755200000000, -0.0001257700000000 ] - [ 0.0000129300000000, -0.0000074600000000, -0.0000550700000000 ] - [ -0.0000139400000000, 0.0000080500000000, -0.0007950800000000 ] - [ 0.0002804000000000, 0.0002653600000000, -0.0001257700000000 ] - [ -0.0000368500000000, 0.0000201300000000, 0.0000634300000000 ] - [ 0.0000379500000000, -0.0000219100000000, 0.0000489000000000 ] - [ 0.0000510600000000, -0.0000294800000000, 0.0001696200000000 ] - [ -0.0000358600000000, 0.0000218400000000, 0.0000634300000000 ]- atom: 49 displacement: [ -0.0049999999971307, 0.0086602540395010, 0.0000000000000000 ] forces: - [ -0.0000294800000000, 0.0000670300000000, 0.0054579700000000 ] - [ 0.0000176300000000, -0.0000328500000000, 0.0053748300000000 ] - [ 0.0002821800000000, 0.0001381200000000, 0.0052924900000000 ] - [ -0.0002815800000000, 0.0002186900000000, 0.0053188100000000 ] - [ -0.0000294800000000, 0.0000670300000000, -0.0054579700000000 ] - [ 0.0000176300000000, -0.0000328500000000, -0.0053748300000000 ] - [ 0.0002821800000000, 0.0001381200000000, -0.0052924900000000 ] - [ -0.0002815800000000, 0.0002186900000000, -0.0053188100000000 ] - [ 0.0012489600000000, -0.0004501200000000, -0.0041692400000000 ] - [ -0.0011849700000000, -0.0003364500000000, -0.0042265600000000 ] - [ -0.0014283300000000, 0.0105295700000000, -0.0002092200000000 ] - [ 0.0001371600000000, 0.0000630500000000, -0.0052410600000000 ] - [ 0.0012489600000000, -0.0004501200000000, 0.0041692400000000 ] - [ -0.0011849700000000, -0.0003364500000000, 0.0042265600000000 ] - [ -0.0014283300000000, 0.0105295700000000, 0.0002092200000000 ] - [ 0.0001371600000000, 0.0000630500000000, 0.0052410600000000 ] - [ 0.0380657600000000, -0.0222307000000000, -0.0049803600000000 ] - [ 0.0387361700000000, -0.0222766600000000, -0.0044667800000000 ] - [ 0.0394823100000000, -0.0241290800000000, -0.0048241700000000 ] - [ 0.0386575900000000, -0.0223408100000000, -0.0044572400000000 ] - [ 0.0000027300000000, -0.0447070600000000, 0.0043007700000000 ] - [ -0.0000023900000000, -0.0447083700000000, 0.0043912300000000 ] - [ -0.0000117300000000, -0.0447366200000000, 0.0044002500000000 ] - [ -0.0000016800000000, -0.0447940000000000, 0.0043386300000000 ] - [ -0.0386868700000000, 0.0223200300000000, 0.0043576900000000 ] - [ -0.0387466800000000, 0.0223662700000000, 0.0043757000000000 ] - [ -0.0387820700000000, 0.0223970800000000, 0.0043650400000000 ] - [ -0.0385046300000000, 0.0222446300000000, 0.0045480500000000 ] - [ 0.0000027300000000, -0.0447070600000000, -0.0043007700000000 ] - [ -0.0000023900000000, -0.0447083700000000, -0.0043912300000000 ] - [ -0.0000117300000000, -0.0447366200000000, -0.0044002500000000 ] - [ -0.0000016800000000, -0.0447940000000000, -0.0043386300000000 ] - [ 0.0387101600000000, 0.0223329300000000, 0.0043441400000000 ] - [ 0.0387298100000000, 0.0223587000000000, 0.0043875500000000 ] - [ 0.0385060700000000, 0.0222425800000000, 0.0045485500000000 ] - [ 0.0387737300000000, 0.0223845000000000, 0.0043691500000000 ] - [ -0.0387304500000000, -0.0222612700000000, 0.0044816200000000 ] - [ -0.0380075400000000, -0.0220331500000000, 0.0049030000000000 ] - [ -0.0393004400000000, -0.0230968000000000, 0.0040354600000000 ] - [ -0.0387604100000000, -0.0223878600000000, 0.0044571700000000 ] - [ -0.0001122500000000, 0.0447444100000000, 0.0045280100000000 ] - [ 0.0000873900000000, 0.0446423300000000, 0.0044960800000000 ] - [ -0.0001236400000000, 0.0497433800000000, 0.0011188500000000 ] - [ -0.0000096800000000, 0.0446716600000000, 0.0044527800000000 ] - [ 0.0380657600000000, -0.0222307000000000, 0.0049803600000000 ] - [ 0.0387361700000000, -0.0222766600000000, 0.0044667800000000 ] - [ 0.0394823100000000, -0.0241290800000000, 0.0048241700000000 ] - [ 0.0386575900000000, -0.0223408100000000, 0.0044572400000000 ] - [ 0.0036533000000000, -0.0896371400000000, 0.0000000000000000 ] - [ -0.0001283000000000, -0.0584935400000000, 0.0000000000000000 ] - [ -0.0001667800000000, -0.0581441700000000, 0.0000000000000000 ] - [ 0.0001509400000000, -0.0583257000000000, 0.0000000000000000 ] - [ 0.0505605800000000, -0.0291931400000000, 0.0000000000000000 ] - [ 0.0505465200000000, -0.0291761400000000, 0.0000000000000000 ] - [ 0.0505527100000000, -0.0291969600000000, 0.0000000000000000 ] - [ 0.0507671300000000, -0.0292952300000000, 0.0000000000000000 ] - [ -0.0505554700000000, -0.0291778900000000, 0.0000000000000000 ] - [ -0.0505480000000000, -0.0291883000000000, 0.0000000000000000 ] - [ -0.0505484300000000, -0.0291969700000000, 0.0000000000000000 ] - [ -0.0508009300000000, -0.0292886900000000, 0.0000000000000000 ] - [ 0.0530736000000000, 0.0310963800000000, 0.0000000000000000 ] - [ 0.0505414300000000, 0.0293119800000000, 0.0000000000000000 ] - [ 0.0505404200000000, 0.0292082700000000, 0.0000000000000000 ] - [ 0.0503787000000000, 0.0287012200000000, 0.0000000000000000 ] - [ -0.0534885900000000, 0.0328475500000000, 0.0000000000000000 ] - [ -0.0505669600000000, 0.0292468500000000, 0.0000000000000000 ] - [ -0.0500366500000000, 0.0297677600000000, 0.0000000000000000 ] - [ -0.0506569700000000, 0.0291954800000000, 0.0000000000000000 ] - [ -0.0000445200000000, 0.0584457000000000, 0.0000000000000000 ] - [ 0.0000403100000000, 0.0583980100000000, 0.0000000000000000 ] - [ 0.0000008000000000, 0.0583014100000000, 0.0000000000000000 ] - [ -0.0000020300000000, 0.0583492900000000, 0.0000000000000000 ] - [ 0.0387101600000000, 0.0223329300000000, -0.0043441400000000 ] - [ 0.0387298100000000, 0.0223587000000000, -0.0043875500000000 ] - [ 0.0385060700000000, 0.0222425800000000, -0.0045485500000000 ] - [ 0.0387737300000000, 0.0223845000000000, -0.0043691500000000 ] - [ -0.0386868700000000, 0.0223200300000000, -0.0043576900000000 ] - [ -0.0387466800000000, 0.0223662700000000, -0.0043757000000000 ] - [ -0.0387820700000000, 0.0223970800000000, -0.0043650400000000 ] - [ -0.0385046300000000, 0.0222446300000000, -0.0045480500000000 ] - [ -0.0001122500000000, 0.0447444100000000, -0.0045280100000000 ] - [ 0.0000873900000000, 0.0446423300000000, -0.0044960800000000 ] - [ -0.0001236400000000, 0.0497433800000000, -0.0011188500000000 ] - [ -0.0000096800000000, 0.0446716600000000, -0.0044527800000000 ] - [ -0.0387304500000000, -0.0222612700000000, -0.0044816200000000 ] - [ -0.0380075400000000, -0.0220331500000000, -0.0049030000000000 ] - [ -0.0393004400000000, -0.0230968000000000, -0.0040354600000000 ] - [ -0.0387604100000000, -0.0223878600000000, -0.0044571700000000 ] - [ -0.0000653800000000, -0.0003515200000000, -0.0010708600000000 ] - [ 0.0000292000000000, 0.0000067900000000, -0.0017926300000000 ] - [ 0.0003617100000000, -0.0000445900000000, -0.0018174700000000 ] - [ -0.0003155600000000, 0.0000246200000000, -0.0018063500000000 ] - [ 0.0000383700000000, -0.0000729600000000, -0.0019280500000000 ] - [ -0.0000401900000000, -0.0000549700000000, -0.0019008500000000 ] - [ -0.0000562900000000, 0.0002737200000000, -0.0016692000000000 ] - [ 0.0000193100000000, 0.0000333700000000, -0.0019093500000000 ] - [ 0.0000383700000000, -0.0000729600000000, 0.0019280500000000 ] - [ -0.0000401900000000, -0.0000549700000000, 0.0019008500000000 ] - [ -0.0000562900000000, 0.0002737200000000, 0.0016692000000000 ] - [ 0.0000193100000000, 0.0000333700000000, 0.0019093500000000 ] - [ -0.0000653800000000, -0.0003515200000000, 0.0010708600000000 ] - [ 0.0000292000000000, 0.0000067900000000, 0.0017926300000000 ] - [ 0.0003617100000000, -0.0000445900000000, 0.0018174700000000 ] - [ -0.0003155600000000, 0.0000246200000000, 0.0018063500000000 ] - [ 0.0005761400000000, 0.0002075500000000, 0.0000000000000000 ] - [ -0.0011854800000000, 0.0003644600000000, 0.0000000000000000 ] - [ -0.0000326700000000, -0.0004105200000000, 0.0000000000000000 ] - [ -0.0000267800000000, -0.0002084500000000, 0.0000000000000000 ] - [ 0.0000141000000000, 0.0000456100000000, 0.0000000000000000 ] - [ -0.0000156200000000, 0.0000603300000000, 0.0000000000000000 ] - [ -0.0000093300000000, -0.0000609500000000, 0.0000000000000000 ] - [ 0.0000088500000000, -0.0000693600000000, 0.0000000000000000 ]- atom: 49 displacement: [ 0.0049999999971307, -0.0086602540395010, 0.0000000000000000 ] forces: - [ 0.0000276100000000, -0.0000642100000000, 0.0052182300000000 ] - [ -0.0000180200000000, 0.0000341800000000, 0.0053008900000000 ] - [ -0.0002836800000000, -0.0001405700000000, 0.0053840100000000 ] - [ 0.0002812100000000, -0.0002218300000000, 0.0053553000000000 ] - [ 0.0000276100000000, -0.0000642100000000, -0.0052182300000000 ] - [ -0.0000180200000000, 0.0000341800000000, -0.0053008900000000 ] - [ -0.0002836800000000, -0.0001405700000000, -0.0053840100000000 ] - [ 0.0002812100000000, -0.0002218300000000, -0.0053553000000000 ] - [ -0.0012375800000000, 0.0004519000000000, -0.0064919600000000 ] - [ 0.0011812100000000, 0.0003361500000000, -0.0064432200000000 ] - [ 0.0014031600000000, -0.0108174200000000, -0.0107067900000000 ] - [ -0.0001340200000000, -0.0000647600000000, -0.0054350900000000 ] - [ -0.0012375800000000, 0.0004519000000000, 0.0064919600000000 ] - [ 0.0011812100000000, 0.0003361500000000, 0.0064432200000000 ] - [ 0.0014031600000000, -0.0108174200000000, 0.0107067900000000 ] - [ -0.0001340200000000, -0.0000647600000000, 0.0054350900000000 ] - [ 0.0393548400000000, -0.0224698600000000, -0.0038436800000000 ] - [ 0.0386907800000000, -0.0224260400000000, -0.0043519300000000 ] - [ 0.0379440400000000, -0.0205623300000000, -0.0039841700000000 ] - [ 0.0387676100000000, -0.0223610300000000, -0.0043620000000000 ] - [ -0.0000027000000000, -0.0447011500000000, 0.0045157300000000 ] - [ 0.0000023900000000, -0.0446991800000000, 0.0044264600000000 ] - [ 0.0000114400000000, -0.0446690900000000, 0.0044187100000000 ] - [ 0.0000020000000000, -0.0446105200000000, 0.0044812500000000 ] - [ -0.0387387400000000, 0.0223813900000000, 0.0044617800000000 ] - [ -0.0386802500000000, 0.0223358900000000, 0.0044431200000000 ] - [ -0.0386452000000000, 0.0223057800000000, 0.0044536300000000 ] - [ -0.0389224800000000, 0.0224582500000000, 0.0042707900000000 ] - [ -0.0000027000000000, -0.0447011500000000, -0.0045157300000000 ] - [ 0.0000023900000000, -0.0446991800000000, -0.0044264600000000 ] - [ 0.0000114400000000, -0.0446690900000000, -0.0044187100000000 ] - [ 0.0000020000000000, -0.0446105200000000, -0.0044812500000000 ] - [ 0.0387180900000000, 0.0223699800000000, 0.0044739700000000 ] - [ 0.0386982400000000, 0.0223441000000000, 0.0044307500000000 ] - [ 0.0389233100000000, 0.0224617100000000, 0.0042694300000000 ] - [ 0.0386544900000000, 0.0223185200000000, 0.0044490200000000 ] - [ -0.0386967600000000, -0.0224419800000000, 0.0043377200000000 ] - [ -0.0394149700000000, -0.0226652600000000, 0.0039172200000000 ] - [ -0.0381264700000000, -0.0215988600000000, 0.0047774100000000 ] - [ -0.0386680800000000, -0.0223162200000000, 0.0043603400000000 ] - [ 0.0001130700000000, 0.0446588000000000, 0.0042916000000000 ] - [ -0.0000880700000000, 0.0447613600000000, 0.0043219600000000 ] - [ 0.0001206000000000, 0.0396363600000000, 0.0077165400000000 ] - [ 0.0000099300000000, 0.0447354500000000, 0.0043647700000000 ] - [ 0.0393548400000000, -0.0224698600000000, 0.0038436800000000 ] - [ 0.0386907800000000, -0.0224260400000000, 0.0043519300000000 ] - [ 0.0379440400000000, -0.0205623300000000, 0.0039841700000000 ] - [ 0.0387676100000000, -0.0223610300000000, 0.0043620000000000 ] - [ -0.0036088200000000, -0.0265989800000000, 0.0000000000000000 ] - [ 0.0001284200000000, -0.0583041200000000, 0.0000000000000000 ] - [ 0.0001647900000000, -0.0586511200000000, 0.0000000000000000 ] - [ -0.0001489600000000, -0.0584690200000000, 0.0000000000000000 ] - [ 0.0505910900000000, -0.0292070000000000, 0.0000000000000000 ] - [ 0.0506034900000000, -0.0292227900000000, 0.0000000000000000 ] - [ 0.0505975400000000, -0.0292021400000000, 0.0000000000000000 ] - [ 0.0503834600000000, -0.0291034800000000, 0.0000000000000000 ] - [ -0.0505948600000000, -0.0292206200000000, 0.0000000000000000 ] - [ -0.0506017900000000, -0.0292094100000000, 0.0000000000000000 ] - [ -0.0506021100000000, -0.0292011200000000, 0.0000000000000000 ] - [ -0.0503474000000000, -0.0291076200000000, 0.0000000000000000 ] - [ 0.0481003400000000, 0.0273053800000000, 0.0000000000000000 ] - [ 0.0506088600000000, 0.0290853600000000, 0.0000000000000000 ] - [ 0.0506078400000000, 0.0291894100000000, 0.0000000000000000 ] - [ 0.0507761800000000, 0.0297013700000000, 0.0000000000000000 ] - [ -0.0477193600000000, 0.0256296700000000, 0.0000000000000000 ] - [ -0.0505844600000000, 0.0291515200000000, 0.0000000000000000 ] - [ -0.0510995200000000, 0.0285776100000000, 0.0000000000000000 ] - [ -0.0504942300000000, 0.0292038700000000, 0.0000000000000000 ] - [ 0.0000435800000000, 0.0583513500000000, 0.0000000000000000 ] - [ -0.0000414300000000, 0.0584017200000000, 0.0000000000000000 ] - [ -0.0000018200000000, 0.0584937300000000, 0.0000000000000000 ] - [ 0.0000010900000000, 0.0584462800000000, 0.0000000000000000 ] - [ 0.0387180900000000, 0.0223699800000000, -0.0044739700000000 ] - [ 0.0386982400000000, 0.0223441000000000, -0.0044307500000000 ] - [ 0.0389233100000000, 0.0224617100000000, -0.0042694300000000 ] - [ 0.0386544900000000, 0.0223185200000000, -0.0044490200000000 ] - [ -0.0387387400000000, 0.0223813900000000, -0.0044617800000000 ] - [ -0.0386802500000000, 0.0223358900000000, -0.0044431200000000 ] - [ -0.0386452000000000, 0.0223057800000000, -0.0044536300000000 ] - [ -0.0389224800000000, 0.0224582500000000, -0.0042707900000000 ] - [ 0.0001130700000000, 0.0446588000000000, -0.0042916000000000 ] - [ -0.0000880700000000, 0.0447613600000000, -0.0043219600000000 ] - [ 0.0001206000000000, 0.0396363600000000, -0.0077165400000000 ] - [ 0.0000099300000000, 0.0447354500000000, -0.0043647700000000 ] - [ -0.0386967600000000, -0.0224419800000000, -0.0043377200000000 ] - [ -0.0394149700000000, -0.0226652600000000, -0.0039172200000000 ] - [ -0.0381264700000000, -0.0215988600000000, -0.0047774100000000 ] - [ -0.0386680800000000, -0.0223162200000000, -0.0043603400000000 ] - [ 0.0000632100000000, 0.0003561000000000, -0.0026235000000000 ] - [ -0.0000281100000000, -0.0000057900000000, -0.0019006600000000 ] - [ -0.0003611700000000, 0.0000412200000000, -0.0018755500000000 ] - [ 0.0003156100000000, -0.0000270600000000, -0.0018882600000000 ] - [ -0.0000385300000000, 0.0000724100000000, -0.0017665200000000 ] - [ 0.0000405400000000, 0.0000551100000000, -0.0017929500000000 ] - [ 0.0000557100000000, -0.0002750700000000, -0.0020221500000000 ] - [ -0.0000189700000000, -0.0000335000000000, -0.0017835900000000 ] - [ -0.0000385300000000, 0.0000724100000000, 0.0017665200000000 ] - [ 0.0000405400000000, 0.0000551100000000, 0.0017929500000000 ] - [ 0.0000557100000000, -0.0002750700000000, 0.0020221500000000 ] - [ -0.0000189700000000, -0.0000335000000000, 0.0017835900000000 ] - [ 0.0000632100000000, 0.0003561000000000, 0.0026235000000000 ] - [ -0.0000281100000000, -0.0000057900000000, 0.0019006600000000 ] - [ -0.0003611700000000, 0.0000412200000000, 0.0018755500000000 ] - [ 0.0003156100000000, -0.0000270600000000, 0.0018882600000000 ] - [ -0.0005905500000000, -0.0002042400000000, 0.0000000000000000 ] - [ 0.0012170200000000, -0.0003608400000000, 0.0000000000000000 ] - [ 0.0000354900000000, 0.0004078900000000, 0.0000000000000000 ] - [ 0.0000258000000000, 0.0002062800000000, 0.0000000000000000 ] - [ -0.0000149000000000, -0.0000451700000000, 0.0000000000000000 ] - [ 0.0000152800000000, -0.0000597100000000, 0.0000000000000000 ] - [ 0.0000083900000000, 0.0000606400000000, 0.0000000000000000 ] - [ -0.0000091000000000, 0.0000694500000000, 0.0000000000000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0001187000000000, 0.0047465100000000 ] - [ 0.0000000000000000, -0.0000455100000000, 0.0049804700000000 ] - [ 0.0003846100000000, 0.0000670500000000, 0.0045430800000000 ] - [ -0.0003846100000000, 0.0000670500000000, 0.0045430800000000 ] - [ 0.0000000000000000, -0.0001179200000000, -0.0059379900000000 ] - [ 0.0000000000000000, 0.0000463000000000, -0.0057033500000000 ] - [ -0.0003853800000000, -0.0000663700000000, -0.0061411500000000 ] - [ 0.0003853800000000, -0.0000663700000000, -0.0061411500000000 ] - [ 0.0006563500000000, 0.0000132100000000, -0.0041759400000000 ] - [ -0.0006563500000000, 0.0000132100000000, -0.0041759400000000 ] - [ 0.0000000000000000, 0.0002967200000000, -0.0017116400000000 ] - [ 0.0000000000000000, -0.0001264900000000, -0.0047902500000000 ] - [ -0.0006592300000000, -0.0000148500000000, 0.0065152500000000 ] - [ 0.0006592300000000, -0.0000148500000000, 0.0065152500000000 ] - [ 0.0000000000000000, -0.0004719900000000, 0.0091169800000000 ] - [ 0.0000000000000000, 0.0001249600000000, 0.0058954000000000 ] - [ 0.0381657800000000, -0.0219777500000000, -0.0047922800000000 ] - [ 0.0386514700000000, -0.0223379800000000, -0.0044874300000000 ] - [ 0.0394247900000000, -0.0215731500000000, -0.0033744600000000 ] - [ 0.0385968000000000, -0.0222858100000000, -0.0045411700000000 ] - [ 0.0000000000000000, -0.0446867500000000, 0.0045451000000000 ] - [ 0.0000000000000000, -0.0446260900000000, 0.0044906400000000 ] - [ -0.0000751900000000, -0.0445072500000000, 0.0046429900000000 ] - [ 0.0000751900000000, -0.0445072500000000, 0.0046429900000000 ] - [ -0.0386122400000000, 0.0222541000000000, 0.0045889700000000 ] - [ -0.0386564600000000, 0.0223266100000000, 0.0044834300000000 ] - [ -0.0387047900000000, 0.0223378800000000, 0.0045011600000000 ] - [ -0.0383489700000000, 0.0221629200000000, 0.0047143200000000 ] - [ 0.0000000000000000, -0.0447213400000000, -0.0042682400000000 ] - [ 0.0000000000000000, -0.0447823300000000, -0.0043234600000000 ] - [ 0.0000753200000000, -0.0449015600000000, -0.0041704000000000 ] - [ -0.0000753200000000, -0.0449015600000000, -0.0041704000000000 ] - [ 0.0386122400000000, 0.0222541000000000, 0.0045889700000000 ] - [ 0.0386564600000000, 0.0223266100000000, 0.0044834300000000 ] - [ 0.0383489700000000, 0.0221629200000000, 0.0047143200000000 ] - [ 0.0387047900000000, 0.0223378800000000, 0.0045011600000000 ] - [ -0.0387779300000000, -0.0223658800000000, 0.0043262100000000 ] - [ -0.0392635000000000, -0.0227228300000000, 0.0040193400000000 ] - [ -0.0379904600000000, -0.0231548600000000, 0.0054667700000000 ] - [ -0.0388320300000000, -0.0224180400000000, 0.0042727400000000 ] - [ -0.0000435300000000, 0.0449111100000000, 0.0042486900000000 ] - [ 0.0000435300000000, 0.0449111100000000, 0.0042486900000000 ] - [ 0.0000000000000000, 0.0383932500000000, 0.0088415100000000 ] - [ 0.0000000000000000, 0.0447609100000000, 0.0043299300000000 ] - [ 0.0392635000000000, -0.0227228300000000, 0.0040193400000000 ] - [ 0.0387779300000000, -0.0223658800000000, 0.0043262100000000 ] - [ 0.0379904600000000, -0.0231548600000000, 0.0054667700000000 ] - [ 0.0388320300000000, -0.0224180400000000, 0.0042727400000000 ] - [ 0.0000000000000000, -0.0581386800000000, -0.0167508400000000 ] - [ 0.0000000000000000, -0.0583983700000000, -0.0001760400000000 ] - [ 0.0000005300000000, -0.0583981500000000, -0.0003798000000000 ] - [ -0.0000005300000000, -0.0583981500000000, -0.0003798000000000 ] - [ 0.0505754400000000, -0.0291994800000000, 0.0002621400000000 ] - [ 0.0505754300000000, -0.0291994600000000, 0.0001371500000000 ] - [ 0.0505754300000000, -0.0291994400000000, 0.0002620700000000 ] - [ 0.0505747900000000, -0.0291991900000000, 0.0005105800000000 ] - [ -0.0505754300000000, -0.0291994600000000, 0.0001371500000000 ] - [ -0.0505754400000000, -0.0291994800000000, 0.0002621400000000 ] - [ -0.0505754300000000, -0.0291994400000000, 0.0002620700000000 ] - [ -0.0505747900000000, -0.0291991900000000, 0.0005105800000000 ] - [ 0.0505692400000000, 0.0291905600000000, -0.0015034700000000 ] - [ 0.0505753400000000, 0.0291990000000000, -0.0002143400000000 ] - [ 0.0505748000000000, 0.0291993800000000, -0.0002143100000000 ] - [ 0.0505721700000000, 0.0292042100000000, -0.0018150900000000 ] - [ -0.0505692400000000, 0.0291905600000000, -0.0015034700000000 ] - [ -0.0505753400000000, 0.0291990000000000, -0.0002143400000000 ] - [ -0.0505721700000000, 0.0292042100000000, -0.0018150900000000 ] - [ -0.0505748000000000, 0.0291993800000000, -0.0002143100000000 ] - [ 0.0000000600000000, 0.0583985800000000, 0.0003622100000000 ] - [ -0.0000000600000000, 0.0583985800000000, 0.0003622100000000 ] - [ 0.0000000000000000, 0.0583987600000000, 0.0002335000000000 ] - [ 0.0000000000000000, 0.0583988000000000, 0.0001305200000000 ] - [ 0.0388164600000000, 0.0224492500000000, -0.0042256100000000 ] - [ 0.0387724000000000, 0.0223769400000000, -0.0043312100000000 ] - [ 0.0390799200000000, 0.0225415300000000, -0.0041009900000000 ] - [ 0.0387238400000000, 0.0223655200000000, -0.0043136200000000 ] - [ -0.0388164600000000, 0.0224492500000000, -0.0042256100000000 ] - [ -0.0387724000000000, 0.0223769400000000, -0.0043312100000000 ] - [ -0.0387238400000000, 0.0223655200000000, -0.0043136200000000 ] - [ -0.0390799200000000, 0.0225415300000000, -0.0041009900000000 ] - [ 0.0000440400000000, 0.0444962500000000, -0.0045642900000000 ] - [ -0.0000440400000000, 0.0444962500000000, -0.0045642900000000 ] - [ 0.0000000000000000, 0.0509748700000000, 0.0000076700000000 ] - [ 0.0000000000000000, 0.0446480000000000, -0.0044834600000000 ] - [ -0.0386514700000000, -0.0223379800000000, -0.0044874300000000 ] - [ -0.0381657800000000, -0.0219777500000000, -0.0047922800000000 ] - [ -0.0394247900000000, -0.0215731500000000, -0.0033744600000000 ] - [ -0.0385968000000000, -0.0222858100000000, -0.0045411700000000 ] - [ 0.0000000000000000, 0.0004587600000000, -0.0019472400000000 ] - [ 0.0000000000000000, -0.0000392200000000, -0.0018009500000000 ] - [ 0.0005179000000000, -0.0001245200000000, -0.0017271700000000 ] - [ -0.0005179000000000, -0.0001245200000000, -0.0017271700000000 ] - [ -0.0000207500000000, 0.0000220500000000, -0.0019271800000000 ] - [ 0.0000207500000000, 0.0000220500000000, -0.0019271800000000 ] - [ 0.0000000000000000, -0.0002155600000000, -0.0024924100000000 ] - [ 0.0000000000000000, -0.0000010300000000, -0.0019003300000000 ] - [ 0.0000208000000000, -0.0000219500000000, 0.0017404900000000 ] - [ -0.0000208000000000, -0.0000219500000000, 0.0017404900000000 ] - [ 0.0000000000000000, 0.0002147100000000, 0.0011766400000000 ] - [ 0.0000000000000000, 0.0000006700000000, 0.0017672400000000 ] - [ 0.0000000000000000, -0.0004486800000000, 0.0017380200000000 ] - [ 0.0000000000000000, 0.0000391400000000, 0.0018678700000000 ] - [ -0.0005190800000000, 0.0001247400000000, 0.0019423300000000 ] - [ 0.0005190800000000, 0.0001247400000000, 0.0019423300000000 ] - [ -0.0000017400000000, 0.0000000400000000, 0.0005204400000000 ] - [ 0.0000017400000000, 0.0000000400000000, 0.0005204400000000 ] - [ 0.0000000000000000, -0.0000001300000000, 0.0007804400000000 ] - [ 0.0000000000000000, 0.0000001800000000, 0.0000920000000000 ] - [ -0.0000000200000000, -0.0000000100000000, -0.0001381000000000 ] - [ 0.0000000200000000, -0.0000000100000000, -0.0001381000000000 ] - [ 0.0000000000000000, 0.0000002700000000, -0.0002003500000000 ] - [ 0.0000000000000000, 0.0000002800000000, -0.0000985800000000 ]- atom: 89 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0020406100000000, 0.0000030500000000, 0.0053445500000000 ] - [ 0.0004004600000000, 0.0000005200000000, 0.0053402600000000 ] - [ 0.0000148100000000, -0.0002222000000000, 0.0053181400000000 ] - [ 0.0000144900000000, 0.0002231300000000, 0.0053633200000000 ] - [ -0.0000055800000000, 0.0000003100000000, -0.0053424300000000 ] - [ 0.0000527100000000, 0.0000004100000000, -0.0053431500000000 ] - [ -0.0000118600000000, -0.0000367900000000, -0.0053716500000000 ] - [ -0.0000114800000000, 0.0000375000000000, -0.0053141600000000 ] - [ 0.0011086800000000, -0.0016929400000000, -0.0068084400000000 ] - [ 0.0011099100000000, 0.0017066600000000, -0.0038696700000000 ] - [ -0.0018347300000000, 0.0000025400000000, -0.0053426700000000 ] - [ 0.0003495900000000, -0.0000004600000000, -0.0053428300000000 ] - [ 0.0004313400000000, -0.0002030800000000, 0.0044427000000000 ] - [ 0.0004303200000000, 0.0002011000000000, 0.0062395600000000 ] - [ 0.0000808600000000, 0.0000013700000000, 0.0053395500000000 ] - [ -0.0000277100000000, -0.0000004000000000, 0.0053409300000000 ] - [ 0.0383988300000000, -0.0221043200000000, -0.0045236500000000 ] - [ 0.0386707900000000, -0.0221665400000000, -0.0046250000000000 ] - [ 0.0396307300000000, -0.0223689800000000, -0.0040287900000000 ] - [ 0.0385476400000000, -0.0222528600000000, -0.0044872400000000 ] - [ 0.0002995100000000, -0.0447066400000000, 0.0044054700000000 ] - [ -0.0000806500000000, -0.0447047200000000, 0.0044060900000000 ] - [ -0.0000201800000000, -0.0445747500000000, 0.0044679000000000 ] - [ -0.0000202000000000, -0.0448348800000000, 0.0043439600000000 ] - [ -0.0375520700000000, 0.0218530700000000, 0.0043465800000000 ] - [ -0.0389190300000000, 0.0224057800000000, 0.0042865000000000 ] - [ -0.0387611700000000, 0.0224191000000000, 0.0043483400000000 ] - [ -0.0387010600000000, 0.0222971300000000, 0.0044390100000000 ] - [ 0.0000032000000000, -0.0447028000000000, -0.0044085800000000 ] - [ -0.0000182000000000, -0.0447026900000000, -0.0044086700000000 ] - [ -0.0000074800000000, -0.0446824200000000, -0.0044061300000000 ] - [ -0.0000075500000000, -0.0447230700000000, -0.0044111700000000 ] - [ 0.0398624200000000, 0.0228426100000000, 0.0044454200000000 ] - [ 0.0385077300000000, 0.0222977200000000, 0.0045267400000000 ] - [ 0.0387259400000000, 0.0224060700000000, 0.0043738900000000 ] - [ 0.0386660900000000, 0.0222842800000000, 0.0044644200000000 ] - [ -0.0386027100000000, -0.0222580100000000, 0.0045666500000000 ] - [ -0.0390284500000000, -0.0225213700000000, 0.0041207600000000 ] - [ -0.0387093100000000, -0.0223439800000000, 0.0044079200000000 ] - [ -0.0387400800000000, -0.0223694800000000, 0.0044128100000000 ] - [ -0.0000278500000000, 0.0445673400000000, 0.0045650900000000 ] - [ -0.0000278200000000, 0.0448384200000000, 0.0042470900000000 ] - [ -0.0000185300000000, 0.0447018500000000, 0.0044067800000000 ] - [ 0.0000068900000000, 0.0447027900000000, 0.0044062200000000 ] - [ 0.0384003700000000, -0.0221815900000000, 0.0046920000000000 ] - [ 0.0388269700000000, -0.0224454800000000, 0.0042454100000000 ] - [ 0.0387198100000000, -0.0223592300000000, 0.0044047800000000 ] - [ 0.0386895400000000, -0.0223338100000000, 0.0043995200000000 ] - [ 0.0001214100000000, -0.0584009500000000, -0.0000002200000000 ] - [ -0.0000645000000000, -0.0583991200000000, -0.0000008600000000 ] - [ -0.0000527000000000, -0.0580101400000000, 0.0005160500000000 ] - [ -0.0000527900000000, -0.0587908300000000, -0.0005205200000000 ] - [ 0.0508345300000000, -0.0292889600000000, 0.0001856700000000 ] - [ 0.0504864900000000, -0.0291689300000000, -0.0000294300000000 ] - [ 0.0505408400000000, -0.0291652100000000, -0.0000092200000000 ] - [ 0.0505874900000000, -0.0292329800000000, 0.0000005800000000 ] - [ -0.0506652400000000, -0.0292303600000000, 0.0000276900000000 ] - [ -0.0503170200000000, -0.0291103400000000, -0.0001881300000000 ] - [ -0.0506107700000000, -0.0292341000000000, 0.0000070500000000 ] - [ -0.0505638100000000, -0.0291660900000000, -0.0000026000000000 ] - [ 0.0502958300000000, 0.0289676800000000, -0.0003913600000000 ] - [ 0.0503502500000000, 0.0291681300000000, 0.0003664000000000 ] - [ 0.0505595200000000, 0.0292274900000000, 0.0000331000000000 ] - [ 0.0507477300000000, 0.0292609800000000, -0.0001517800000000 ] - [ -0.0508597500000000, 0.0294334500000000, 0.0003928700000000 ] - [ -0.0508003700000000, 0.0292303000000000, -0.0003691900000000 ] - [ -0.0504034200000000, 0.0291380900000000, 0.0001491500000000 ] - [ -0.0505919700000000, 0.0291717500000000, -0.0000358600000000 ] - [ -0.0000057600000000, 0.0584444000000000, 0.0000188900000000 ] - [ -0.0000057100000000, 0.0583542600000000, -0.0000219000000000 ] - [ 0.0001040700000000, 0.0583985500000000, -0.0000021200000000 ] - [ -0.0000460900000000, 0.0583993200000000, -0.0000013500000000 ] - [ 0.0387327100000000, 0.0223594800000000, -0.0043916700000000 ] - [ 0.0386730700000000, 0.0223394200000000, -0.0044267000000000 ] - [ 0.0387233800000000, 0.0223665400000000, -0.0043881000000000 ] - [ 0.0386976100000000, 0.0223371100000000, -0.0044293800000000 ] - [ -0.0386963800000000, 0.0223436400000000, -0.0044259700000000 ] - [ -0.0387564900000000, 0.0223638000000000, -0.0043906400000000 ] - [ -0.0387316200000000, 0.0223660600000000, -0.0043881900000000 ] - [ -0.0387059200000000, 0.0223369000000000, -0.0044293200000000 ] - [ 0.0005484800000000, 0.0456346400000000, -0.0038128300000000 ] - [ 0.0006190900000000, 0.0437677000000000, -0.0050058600000000 ] - [ 0.0001132000000000, 0.0447040700000000, -0.0044087700000000 ] - [ 0.0000037600000000, 0.0447047500000000, -0.0044082300000000 ] - [ -0.0387653000000000, -0.0225249700000000, -0.0041912600000000 ] - [ -0.0390278600000000, -0.0225996600000000, -0.0042944600000000 ] - [ -0.0377871800000000, -0.0223508800000000, -0.0047880500000000 ] - [ -0.0388790000000000, -0.0224499100000000, -0.0043303300000000 ] - [ -0.0042570100000000, 0.0000057500000000, -0.0016942300000000 ] - [ 0.0006661300000000, 0.0000008900000000, -0.0018347800000000 ] - [ 0.0000868900000000, -0.0003332200000000, -0.0017810400000000 ] - [ 0.0000870100000000, 0.0003353700000000, -0.0018883300000000 ] - [ -0.0000130100000000, 0.0000069300000000, -0.0019237300000000 ] - [ -0.0000130100000000, -0.0000051400000000, -0.0017455400000000 ] - [ -0.0000025400000000, 0.0000009900000000, -0.0018347100000000 ] - [ -0.0000076700000000, 0.0000008900000000, -0.0018346400000000 ] - [ 0.0002094200000000, -0.0002583300000000, 0.0022772500000000 ] - [ 0.0002098800000000, 0.0002580300000000, 0.0013849100000000 ] - [ -0.0002375800000000, -0.0000004300000000, 0.0018325700000000 ] - [ 0.0000471700000000, -0.0000010700000000, 0.0018322200000000 ] - [ -0.0001886600000000, -0.0000012400000000, 0.0018325000000000 ] - [ 0.0001479800000000, -0.0000009200000000, 0.0018325200000000 ] - [ -0.0000137700000000, -0.0000941000000000, 0.0017647300000000 ] - [ -0.0000134900000000, 0.0000924900000000, 0.0019003300000000 ] - [ 0.0001072300000000, 0.0002800600000000, -0.0002840600000000 ] - [ 0.0001072500000000, -0.0002817900000000, 0.0002832500000000 ] - [ 0.0002608500000000, 0.0000000700000000, -0.0000010200000000 ] - [ -0.0003793500000000, -0.0000003200000000, -0.0000013000000000 ] - [ 0.0000406700000000, 0.0000324300000000, 0.0001155600000000 ] - [ 0.0000402300000000, -0.0000319000000000, -0.0001176100000000 ] - [ 0.0000056000000000, 0.0000002500000000, -0.0000012300000000 ] - [ -0.0000152900000000, -0.0000000400000000, -0.0000008600000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0086200300000000 ] - [ 0.0000000000000000, -0.0001410700000000, 0.0055023000000000 ] - [ 0.0001221700000000, 0.0000705300000000, 0.0055023000000000 ] - [ -0.0001221700000000, 0.0000705300000000, 0.0055023000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0042435900000000 ] - [ 0.0000000000000000, -0.0000229200000000, -0.0050073000000000 ] - [ 0.0000198500000000, 0.0000114600000000, -0.0050073000000000 ] - [ -0.0000198500000000, 0.0000114600000000, -0.0050073000000000 ] - [ -0.0007129100000000, 0.0004116000000000, -0.0061161800000000 ] - [ 0.0007129100000000, 0.0004116000000000, -0.0061161800000000 ] - [ 0.0000000000000000, -0.0008232000000000, -0.0061161800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0055221200000000 ] - [ -0.0008672000000000, 0.0005006800000000, 0.0061558500000000 ] - [ 0.0008672000000000, 0.0005006800000000, 0.0061558500000000 ] - [ 0.0000000000000000, -0.0010013600000000, 0.0061558500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0053783100000000 ] - [ 0.0389668000000000, -0.0224974900000000, -0.0041451000000000 ] - [ 0.0387693500000000, -0.0224737800000000, -0.0040774400000000 ] - [ 0.0388475400000000, -0.0223383500000000, -0.0040774400000000 ] - [ 0.0387459800000000, -0.0223700000000000, -0.0043255800000000 ] - [ 0.0000000000000000, -0.0456228800000000, 0.0047599600000000 ] - [ 0.0000000000000000, -0.0446431600000000, 0.0044699100000000 ] - [ 0.0000094200000000, -0.0447860600000000, 0.0044150100000000 ] - [ -0.0000094200000000, -0.0447860600000000, 0.0044150100000000 ] - [ -0.0395105700000000, 0.0228114400000000, 0.0047599600000000 ] - [ -0.0387905800000000, 0.0223848700000000, 0.0044150100000000 ] - [ -0.0387811500000000, 0.0224011900000000, 0.0044150100000000 ] - [ -0.0386621100000000, 0.0223215800000000, 0.0044699100000000 ] - [ 0.0000000000000000, -0.0444696000000000, -0.0046595400000000 ] - [ 0.0000000000000000, -0.0445902200000000, -0.0045045100000000 ] - [ 0.0000006000000000, -0.0446517200000000, -0.0044878600000000 ] - [ -0.0000006000000000, -0.0446517200000000, -0.0044878600000000 ] - [ 0.0395105700000000, 0.0228114400000000, 0.0047599600000000 ] - [ 0.0387905800000000, 0.0223848700000000, 0.0044150100000000 ] - [ 0.0386621100000000, 0.0223215800000000, 0.0044699100000000 ] - [ 0.0387811500000000, 0.0224011900000000, 0.0044150100000000 ] - [ -0.0387644700000000, -0.0224237700000000, 0.0042919900000000 ] - [ -0.0391013500000000, -0.0225751700000000, 0.0040577700000000 ] - [ -0.0388017900000000, -0.0223591300000000, 0.0042919900000000 ] - [ -0.0387157800000000, -0.0223525600000000, 0.0043903500000000 ] - [ 0.0000373200000000, 0.0447829000000000, 0.0042919900000000 ] - [ -0.0000373200000000, 0.0447829000000000, 0.0042919900000000 ] - [ 0.0000000000000000, 0.0451503500000000, 0.0040577700000000 ] - [ 0.0000000000000000, 0.0447051300000000, 0.0043903500000000 ] - [ 0.0391013500000000, -0.0225751700000000, 0.0040577700000000 ] - [ 0.0387644700000000, -0.0224237700000000, 0.0042919900000000 ] - [ 0.0388017900000000, -0.0223591300000000, 0.0042919900000000 ] - [ 0.0387157800000000, -0.0223525600000000, 0.0043903500000000 ] - [ 0.0000000000000000, -0.0575086800000000, -0.0000830400000000 ] - [ 0.0000000000000000, -0.0583373800000000, 0.0000466500000000 ] - [ 0.0000117800000000, -0.0583590900000000, 0.0001213800000000 ] - [ -0.0000117800000000, -0.0583590900000000, 0.0001213800000000 ] - [ 0.0503996600000000, -0.0290982600000000, -0.0006431400000000 ] - [ 0.0506564500000000, -0.0292152800000000, -0.0000806000000000 ] - [ 0.0506294000000000, -0.0292621300000000, -0.0000806000000000 ] - [ 0.0506387700000000, -0.0292363100000000, -0.0000539400000000 ] - [ -0.0506564500000000, -0.0292152800000000, -0.0000806000000000 ] - [ -0.0503996600000000, -0.0290982600000000, -0.0006431400000000 ] - [ -0.0506294000000000, -0.0292621300000000, -0.0000806000000000 ] - [ -0.0506387700000000, -0.0292363100000000, -0.0000539400000000 ] - [ 0.0498039800000000, 0.0287543400000000, -0.0000830400000000 ] - [ 0.0505463400000000, 0.0291693500000000, 0.0001213800000000 ] - [ 0.0505216500000000, 0.0291686900000000, 0.0000466500000000 ] - [ 0.0505345600000000, 0.0291897400000000, 0.0001213800000000 ] - [ -0.0498039800000000, 0.0287543400000000, -0.0000830400000000 ] - [ -0.0505463400000000, 0.0291693500000000, 0.0001213800000000 ] - [ -0.0505345600000000, 0.0291897400000000, 0.0001213800000000 ] - [ -0.0505216500000000, 0.0291686900000000, 0.0000466500000000 ] - [ -0.0000270500000000, 0.0584774100000000, -0.0000806000000000 ] - [ 0.0000270500000000, 0.0584774100000000, -0.0000806000000000 ] - [ 0.0000000000000000, 0.0581965200000000, -0.0006431400000000 ] - [ 0.0000000000000000, 0.0584726100000000, -0.0000539400000000 ] - [ 0.0385118000000000, 0.0222348000000000, -0.0046595400000000 ] - [ 0.0386698300000000, 0.0223253400000000, -0.0044878600000000 ] - [ 0.0386162600000000, 0.0222951100000000, -0.0045045100000000 ] - [ 0.0386692200000000, 0.0223263800000000, -0.0044878600000000 ] - [ -0.0385118000000000, 0.0222348000000000, -0.0046595400000000 ] - [ -0.0386698300000000, 0.0223253400000000, -0.0044878600000000 ] - [ -0.0386692200000000, 0.0223263800000000, -0.0044878600000000 ] - [ -0.0386162600000000, 0.0222951100000000, -0.0045045100000000 ] - [ 0.0000781900000000, 0.0448121300000000, -0.0040774400000000 ] - [ -0.0000781900000000, 0.0448121300000000, -0.0040774400000000 ] - [ 0.0000000000000000, 0.0449949800000000, -0.0041451000000000 ] - [ 0.0000000000000000, 0.0447400000000000, -0.0043255800000000 ] - [ -0.0387693500000000, -0.0224737800000000, -0.0040774400000000 ] - [ -0.0389668000000000, -0.0224974900000000, -0.0041451000000000 ] - [ -0.0388475400000000, -0.0223383500000000, -0.0040774400000000 ] - [ -0.0387459800000000, -0.0223700000000000, -0.0043255800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0081717600000000 ] - [ 0.0000000000000000, -0.0000617700000000, -0.0019577400000000 ] - [ 0.0000534900000000, 0.0000308800000000, -0.0019577400000000 ] - [ -0.0000534900000000, 0.0000308800000000, -0.0019577400000000 ] - [ 0.0000889500000000, -0.0000513600000000, -0.0015886800000000 ] - [ -0.0000889500000000, -0.0000513600000000, -0.0015886800000000 ] - [ 0.0000000000000000, 0.0001027100000000, -0.0015886800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017288500000000 ] - [ 0.0004451600000000, -0.0002570100000000, 0.0017156500000000 ] - [ -0.0004451600000000, -0.0002570100000000, 0.0017156500000000 ] - [ 0.0000000000000000, 0.0005140300000000, 0.0017156500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017733100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021930000000000 ] - [ 0.0000000000000000, -0.0000783900000000, 0.0019384400000000 ] - [ 0.0000678900000000, 0.0000392000000000, 0.0019384400000000 ] - [ -0.0000678900000000, 0.0000392000000000, 0.0019384400000000 ] - [ -0.0002503800000000, -0.0001445600000000, 0.0000318500000000 ] - [ 0.0002503800000000, -0.0001445600000000, 0.0000318500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000394400000000 ] - [ 0.0000000000000000, 0.0002891100000000, 0.0000318500000000 ] - [ 0.0002165300000000, 0.0001250100000000, 0.0002160100000000 ] - [ -0.0002165300000000, 0.0001250100000000, 0.0002160100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000462100000000 ] - [ 0.0000000000000000, -0.0002500200000000, 0.0002160100000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0020398700000000 ] - [ 0.0000000000000000, 0.0001412400000000, 0.0051833000000000 ] - [ -0.0001223200000000, -0.0000706200000000, 0.0051833000000000 ] - [ 0.0001223200000000, -0.0000706200000000, 0.0051833000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0064496000000000 ] - [ 0.0000000000000000, 0.0000225500000000, -0.0056835900000000 ] - [ -0.0000195300000000, -0.0000112700000000, -0.0056835900000000 ] - [ 0.0000195300000000, -0.0000112700000000, -0.0056835900000000 ] - [ 0.0007132100000000, -0.0004117700000000, -0.0045849100000000 ] - [ -0.0007132100000000, -0.0004117700000000, -0.0045849100000000 ] - [ 0.0000000000000000, 0.0008235400000000, -0.0045849100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0051710500000000 ] - [ 0.0008635200000000, -0.0004985500000000, 0.0045304800000000 ] - [ -0.0008635200000000, -0.0004985500000000, 0.0045304800000000 ] - [ 0.0000000000000000, 0.0009971100000000, 0.0045304800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0053056100000000 ] - [ 0.0384644100000000, -0.0222074400000000, -0.0046694100000000 ] - [ 0.0386623400000000, -0.0222327800000000, -0.0047369900000000 ] - [ 0.0385853200000000, -0.0223661800000000, -0.0047369900000000 ] - [ 0.0386849500000000, -0.0223347700000000, -0.0044894500000000 ] - [ 0.0000000000000000, -0.0437507400000000, 0.0040064900000000 ] - [ 0.0000000000000000, -0.0447658800000000, 0.0043399700000000 ] - [ -0.0000096000000000, -0.0446225600000000, 0.0043949200000000 ] - [ 0.0000096000000000, -0.0446225600000000, 0.0043949200000000 ] - [ -0.0378892600000000, 0.0218753700000000, 0.0040064900000000 ] - [ -0.0386394700000000, 0.0223195900000000, 0.0043949200000000 ] - [ -0.0386490700000000, 0.0223029700000000, 0.0043949200000000 ] - [ -0.0387683900000000, 0.0223829400000000, 0.0043399700000000 ] - [ 0.0000000000000000, -0.0449397600000000, -0.0041553900000000 ] - [ 0.0000000000000000, -0.0448186700000000, -0.0043109000000000 ] - [ -0.0000006300000000, -0.0447572800000000, -0.0043274500000000 ] - [ 0.0000006300000000, -0.0447572800000000, -0.0043274500000000 ] - [ 0.0378892600000000, 0.0218753700000000, 0.0040064900000000 ] - [ 0.0386394700000000, 0.0223195900000000, 0.0043949200000000 ] - [ 0.0387683900000000, 0.0223829400000000, 0.0043399700000000 ] - [ 0.0386490700000000, 0.0223029700000000, 0.0043949200000000 ] - [ -0.0386654000000000, -0.0222805700000000, 0.0045185000000000 ] - [ -0.0383296400000000, -0.0221296300000000, 0.0047513700000000 ] - [ -0.0386282400000000, -0.0223449300000000, 0.0045185000000000 ] - [ -0.0387143100000000, -0.0223517200000000, 0.0044201600000000 ] - [ -0.0000371600000000, 0.0446255000000000, 0.0045185000000000 ] - [ 0.0000371600000000, 0.0446255000000000, 0.0045185000000000 ] - [ 0.0000000000000000, 0.0442592500000000, 0.0047513700000000 ] - [ 0.0000000000000000, 0.0447034400000000, 0.0044201600000000 ] - [ 0.0383296400000000, -0.0221296300000000, 0.0047513700000000 ] - [ 0.0386654000000000, -0.0222805700000000, 0.0045185000000000 ] - [ 0.0386282400000000, -0.0223449300000000, 0.0045185000000000 ] - [ 0.0387143100000000, -0.0223517200000000, 0.0044201600000000 ] - [ 0.0000000000000000, -0.0592949400000000, 0.0000969200000000 ] - [ 0.0000000000000000, -0.0584593600000000, -0.0000486300000000 ] - [ -0.0000116300000000, -0.0584370700000000, -0.0001220100000000 ] - [ 0.0000116300000000, -0.0584370700000000, -0.0001220100000000 ] - [ 0.0507493300000000, -0.0293001400000000, 0.0006421000000000 ] - [ 0.0504922500000000, -0.0291829800000000, 0.0000779900000000 ] - [ 0.0505193200000000, -0.0291360800000000, 0.0000779900000000 ] - [ 0.0505102100000000, -0.0291620900000000, 0.0000511700000000 ] - [ -0.0504922500000000, -0.0291829800000000, 0.0000779900000000 ] - [ -0.0507493300000000, -0.0293001400000000, 0.0006421000000000 ] - [ -0.0505193200000000, -0.0291360800000000, 0.0000779900000000 ] - [ -0.0505102100000000, -0.0291620900000000, 0.0000511700000000 ] - [ 0.0513509200000000, 0.0296474700000000, 0.0000969200000000 ] - [ 0.0506021700000000, 0.0292286000000000, -0.0001220100000000 ] - [ 0.0506272900000000, 0.0292296800000000, -0.0000486300000000 ] - [ 0.0506138000000000, 0.0292084700000000, -0.0001220100000000 ] - [ -0.0513509200000000, 0.0296474700000000, 0.0000969200000000 ] - [ -0.0506021700000000, 0.0292286000000000, -0.0001220100000000 ] - [ -0.0506138000000000, 0.0292084700000000, -0.0001220100000000 ] - [ -0.0506272900000000, 0.0292296800000000, -0.0000486300000000 ] - [ 0.0000270800000000, 0.0583190600000000, 0.0000779900000000 ] - [ -0.0000270800000000, 0.0583190600000000, 0.0000779900000000 ] - [ 0.0000000000000000, 0.0586002800000000, 0.0006421000000000 ] - [ 0.0000000000000000, 0.0583241700000000, 0.0000511700000000 ] - [ 0.0389189700000000, 0.0224698800000000, -0.0041553900000000 ] - [ 0.0387606200000000, 0.0223791800000000, -0.0043274500000000 ] - [ 0.0388141100000000, 0.0224093400000000, -0.0043109000000000 ] - [ 0.0387612500000000, 0.0223781000000000, -0.0043274500000000 ] - [ -0.0389189700000000, 0.0224698800000000, -0.0041553900000000 ] - [ -0.0387606200000000, 0.0223791800000000, -0.0043274500000000 ] - [ -0.0387612500000000, 0.0223781000000000, -0.0043274500000000 ] - [ -0.0388141100000000, 0.0224093400000000, -0.0043109000000000 ] - [ -0.0000770200000000, 0.0445989600000000, -0.0047369900000000 ] - [ 0.0000770200000000, 0.0445989600000000, -0.0047369900000000 ] - [ 0.0000000000000000, 0.0444148800000000, -0.0046694100000000 ] - [ 0.0000000000000000, 0.0446695400000000, -0.0044894500000000 ] - [ -0.0386623400000000, -0.0222327800000000, -0.0047369900000000 ] - [ -0.0384644100000000, -0.0222074400000000, -0.0046694100000000 ] - [ -0.0385853200000000, -0.0223661800000000, -0.0047369900000000 ] - [ -0.0386849500000000, -0.0223347700000000, -0.0044894500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0049070600000000 ] - [ 0.0000000000000000, 0.0000618400000000, -0.0017114400000000 ] - [ -0.0000535500000000, -0.0000309200000000, -0.0017114400000000 ] - [ 0.0000535500000000, -0.0000309200000000, -0.0017114400000000 ] - [ -0.0000891600000000, 0.0000514700000000, -0.0020813000000000 ] - [ 0.0000891600000000, 0.0000514700000000, -0.0020813000000000 ] - [ 0.0000000000000000, -0.0001029500000000, -0.0020813000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019414100000000 ] - [ -0.0004469600000000, 0.0002580500000000, 0.0019501800000000 ] - [ 0.0004469600000000, 0.0002580500000000, 0.0019501800000000 ] - [ 0.0000000000000000, -0.0005161000000000, 0.0019501800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018924300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014730000000000 ] - [ 0.0000000000000000, 0.0000781200000000, 0.0017256700000000 ] - [ -0.0000676600000000, -0.0000390600000000, 0.0017256700000000 ] - [ 0.0000676600000000, -0.0000390600000000, 0.0017256700000000 ] - [ 0.0002490900000000, 0.0001438100000000, -0.0000350700000000 ] - [ -0.0002490900000000, 0.0001438100000000, -0.0000350700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000362700000000 ] - [ 0.0000000000000000, -0.0002876200000000, -0.0000350700000000 ] - [ -0.0002171000000000, -0.0001253400000000, -0.0002187900000000 ] - [ 0.0002171000000000, -0.0001253400000000, -0.0002187900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000487700000000 ] - [ 0.0000000000000000, 0.0002506900000000, -0.0002187900000000 ]- atom: 105 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000124600000000, 0.0000790100000000, 0.0052968500000000 ] - [ 0.0000128700000000, -0.0000788500000000, 0.0053907200000000 ] - [ 0.0001125500000000, 0.0000001300000000, 0.0053433900000000 ] - [ -0.0001244200000000, 0.0000007400000000, 0.0053443100000000 ] - [ 0.0000124600000000, 0.0000790100000000, -0.0052968500000000 ] - [ 0.0000128700000000, -0.0000788500000000, -0.0053907200000000 ] - [ 0.0001125500000000, 0.0000001300000000, -0.0053433900000000 ] - [ -0.0001244200000000, 0.0000007400000000, -0.0053443100000000 ] - [ -0.0011411500000000, -0.0000033200000000, -0.0053446600000000 ] - [ 0.0001707000000000, -0.0000001700000000, -0.0053440700000000 ] - [ 0.0011528000000000, -0.0013295800000000, -0.0064392900000000 ] - [ 0.0011512700000000, 0.0013190900000000, -0.0042567000000000 ] - [ -0.0011411500000000, -0.0000033200000000, 0.0053446600000000 ] - [ 0.0001707000000000, -0.0000001700000000, 0.0053440700000000 ] - [ 0.0011528000000000, -0.0013295800000000, 0.0064392900000000 ] - [ 0.0011512700000000, 0.0013190900000000, 0.0042567000000000 ] - [ 0.0388873800000000, -0.0224250700000000, -0.0043177800000000 ] - [ 0.0386796400000000, -0.0223713600000000, -0.0044198100000000 ] - [ 0.0386231700000000, -0.0221799900000000, -0.0044080500000000 ] - [ 0.0383525800000000, -0.0222650100000000, -0.0046868300000000 ] - [ -0.0000199900000000, -0.0447498000000000, 0.0044060900000000 ] - [ -0.0000200800000000, -0.0446593900000000, 0.0044076000000000 ] - [ -0.0000544800000000, -0.0447044300000000, 0.0044070000000000 ] - [ 0.0000304000000000, -0.0447047200000000, 0.0044067600000000 ] - [ -0.0387284500000000, 0.0223288200000000, 0.0044427700000000 ] - [ -0.0387572800000000, 0.0223940800000000, 0.0043561500000000 ] - [ -0.0388014200000000, 0.0223706700000000, 0.0043693900000000 ] - [ -0.0386723400000000, 0.0223355300000000, 0.0044434900000000 ] - [ -0.0000199900000000, -0.0447498000000000, -0.0044060900000000 ] - [ -0.0000200800000000, -0.0446593900000000, -0.0044076000000000 ] - [ -0.0000544800000000, -0.0447044300000000, -0.0044070000000000 ] - [ 0.0000304000000000, -0.0447047200000000, -0.0044067600000000 ] - [ 0.0386727400000000, 0.0223101900000000, 0.0044577400000000 ] - [ 0.0387012800000000, 0.0223753800000000, 0.0043714400000000 ] - [ 0.0386281900000000, 0.0223335500000000, 0.0044447800000000 ] - [ 0.0387574700000000, 0.0223686700000000, 0.0043705400000000 ] - [ -0.0385419800000000, -0.0222787400000000, 0.0044965200000000 ] - [ -0.0387503000000000, -0.0223329000000000, 0.0043941400000000 ] - [ -0.0390766600000000, -0.0224384600000000, 0.0041271000000000 ] - [ -0.0388141700000000, -0.0225278300000000, 0.0044144800000000 ] - [ 0.0002057700000000, 0.0447062400000000, 0.0044068000000000 ] - [ -0.0000686800000000, 0.0447045900000000, 0.0044067800000000 ] - [ -0.0000829200000000, 0.0452491000000000, 0.0040365800000000 ] - [ -0.0000829100000000, 0.0441627500000000, 0.0047752300000000 ] - [ 0.0388873800000000, -0.0224250700000000, 0.0043177800000000 ] - [ 0.0386796400000000, -0.0223713600000000, 0.0044198100000000 ] - [ 0.0386231700000000, -0.0221799900000000, 0.0044080500000000 ] - [ 0.0383525800000000, -0.0222650100000000, 0.0046868300000000 ] - [ 0.0006373400000000, -0.0573638900000000, 0.0000000000000000 ] - [ 0.0005654800000000, -0.0594232700000000, 0.0000000000000000 ] - [ 0.0000497700000000, -0.0583962400000000, 0.0000000000000000 ] - [ 0.0000340400000000, -0.0583971900000000, 0.0000000000000000 ] - [ 0.0505877800000000, -0.0292321000000000, 0.0000000000000000 ] - [ 0.0505068000000000, -0.0291606800000000, 0.0000000000000000 ] - [ 0.0504902600000000, -0.0291719500000000, 0.0000000000000000 ] - [ 0.0506154900000000, -0.0292188800000000, 0.0000000000000000 ] - [ -0.0505605100000000, -0.0291652500000000, 0.0000000000000000 ] - [ -0.0506413200000000, -0.0292365600000000, 0.0000000000000000 ] - [ -0.0505328000000000, -0.0291784200000000, 0.0000000000000000 ] - [ -0.0506582100000000, -0.0292254500000000, 0.0000000000000000 ] - [ 0.0503883800000000, 0.0290715700000000, 0.0000000000000000 ] - [ 0.0514645100000000, 0.0292204600000000, 0.0000000000000000 ] - [ 0.0502176100000000, 0.0289644000000000, 0.0000000000000000 ] - [ 0.0504464500000000, 0.0289256600000000, 0.0000000000000000 ] - [ -0.0496735500000000, 0.0291944000000000, 0.0000000000000000 ] - [ -0.0507595600000000, 0.0293251400000000, 0.0000000000000000 ] - [ -0.0509295300000000, 0.0294328900000000, 0.0000000000000000 ] - [ -0.0507100900000000, 0.0294585800000000, 0.0000000000000000 ] - [ -0.0000376400000000, 0.0583976300000000, 0.0000000000000000 ] - [ -0.0000015400000000, 0.0583971400000000, 0.0000000000000000 ] - [ -0.0000189500000000, 0.0583802300000000, 0.0000000000000000 ] - [ -0.0000190000000000, 0.0584147500000000, 0.0000000000000000 ] - [ 0.0386727400000000, 0.0223101900000000, -0.0044577400000000 ] - [ 0.0387012800000000, 0.0223753800000000, -0.0043714400000000 ] - [ 0.0386281900000000, 0.0223335500000000, -0.0044447800000000 ] - [ 0.0387574700000000, 0.0223686700000000, -0.0043705400000000 ] - [ -0.0387284500000000, 0.0223288200000000, -0.0044427700000000 ] - [ -0.0387572800000000, 0.0223940800000000, -0.0043561500000000 ] - [ -0.0388014200000000, 0.0223706700000000, -0.0043693900000000 ] - [ -0.0386723400000000, 0.0223355300000000, -0.0044434900000000 ] - [ 0.0002057700000000, 0.0447062400000000, -0.0044068000000000 ] - [ -0.0000686800000000, 0.0447045900000000, -0.0044067800000000 ] - [ -0.0000829200000000, 0.0452491000000000, -0.0040365800000000 ] - [ -0.0000829100000000, 0.0441627500000000, -0.0047752300000000 ] - [ -0.0385419800000000, -0.0222787400000000, -0.0044965200000000 ] - [ -0.0387503000000000, -0.0223329000000000, -0.0043941400000000 ] - [ -0.0390766600000000, -0.0224384600000000, -0.0041271000000000 ] - [ -0.0388141700000000, -0.0225278300000000, -0.0044144800000000 ] - [ 0.0000949700000000, 0.0002813300000000, -0.0020860400000000 ] - [ 0.0000951300000000, -0.0002803700000000, -0.0015868200000000 ] - [ 0.0002486700000000, -0.0000002000000000, -0.0018357100000000 ] - [ -0.0003914200000000, 0.0000002400000000, -0.0018357000000000 ] - [ -0.0000266800000000, -0.0000003100000000, -0.0018361900000000 ] - [ -0.0000058000000000, -0.0000000400000000, -0.0018357600000000 ] - [ 0.0000289600000000, -0.0000320600000000, -0.0016190000000000 ] - [ 0.0000291300000000, 0.0000322600000000, -0.0020526700000000 ] - [ -0.0000266800000000, -0.0000003100000000, 0.0018361900000000 ] - [ -0.0000058000000000, -0.0000000400000000, 0.0018357600000000 ] - [ 0.0000289600000000, -0.0000320600000000, 0.0016190000000000 ] - [ 0.0000291300000000, 0.0000322600000000, 0.0020526700000000 ] - [ 0.0000949700000000, 0.0002813300000000, 0.0020860400000000 ] - [ 0.0000951300000000, -0.0002803700000000, 0.0015868200000000 ] - [ 0.0002486700000000, -0.0000002000000000, 0.0018357100000000 ] - [ -0.0003914200000000, 0.0000002400000000, 0.0018357000000000 ] - [ -0.0031772000000000, 0.0000076200000000, 0.0000000000000000 ] - [ 0.0006887700000000, -0.0000001600000000, 0.0000000000000000 ] - [ 0.0000677600000000, -0.0003588900000000, 0.0000000000000000 ] - [ 0.0000673300000000, 0.0003581300000000, 0.0000000000000000 ] - [ -0.0000615700000000, 0.0000003000000000, 0.0000000000000000 ] - [ 0.0000195300000000, 0.0000002300000000, 0.0000000000000000 ] - [ -0.0000198400000000, -0.0000225900000000, 0.0000000000000000 ] - [ -0.0000199200000000, 0.0000228900000000, 0.0000000000000000 ]- atom: 105 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001813900000000, -0.0001047300000000, 0.0056954700000000 ] - [ 0.0001813900000000, -0.0001047300000000, 0.0056954700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0055509600000000 ] - [ 0.0000000000000000, 0.0002094500000000, 0.0056954700000000 ] - [ 0.0001817300000000, 0.0001049200000000, -0.0049928200000000 ] - [ -0.0001817300000000, 0.0001049200000000, -0.0049928200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0051366000000000 ] - [ 0.0000000000000000, -0.0002098500000000, -0.0049928200000000 ] - [ 0.0000000000000000, -0.0015512800000000, -0.0068779000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0056065300000000 ] - [ -0.0013434500000000, 0.0007756400000000, -0.0068779000000000 ] - [ 0.0013434500000000, 0.0007756400000000, -0.0068779000000000 ] - [ 0.0000000000000000, 0.0015536000000000, 0.0038002600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0050807200000000 ] - [ 0.0013454600000000, -0.0007768000000000, 0.0038002600000000 ] - [ -0.0013454600000000, -0.0007768000000000, 0.0038002600000000 ] - [ 0.0387128400000000, -0.0222672400000000, -0.0042938700000000 ] - [ 0.0387546000000000, -0.0223749800000000, -0.0043644700000000 ] - [ 0.0394889100000000, -0.0227989300000000, -0.0036217000000000 ] - [ 0.0386404200000000, -0.0223926800000000, -0.0042938700000000 ] - [ 0.0000197400000000, -0.0447294400000000, 0.0043305700000000 ] - [ -0.0000197400000000, -0.0447294400000000, 0.0043305700000000 ] - [ 0.0000000000000000, -0.0447518300000000, 0.0043453200000000 ] - [ 0.0000000000000000, -0.0448818600000000, 0.0042257000000000 ] - [ -0.0387269600000000, 0.0223818200000000, 0.0043305700000000 ] - [ -0.0388688300000000, 0.0224409300000000, 0.0042257000000000 ] - [ -0.0387562300000000, 0.0223759200000000, 0.0043453200000000 ] - [ -0.0387467000000000, 0.0223476200000000, 0.0043305700000000 ] - [ -0.0000197800000000, -0.0446796500000000, -0.0044829700000000 ] - [ 0.0000197800000000, -0.0446796500000000, -0.0044829700000000 ] - [ 0.0000000000000000, -0.0446570000000000, -0.0044683700000000 ] - [ 0.0000000000000000, -0.0445267100000000, -0.0045882000000000 ] - [ 0.0388688300000000, 0.0224409300000000, 0.0042257000000000 ] - [ 0.0387269600000000, 0.0223818200000000, 0.0043305700000000 ] - [ 0.0387562300000000, 0.0223759200000000, 0.0043453200000000 ] - [ 0.0387467000000000, 0.0223476200000000, 0.0043305700000000 ] - [ -0.0387167900000000, -0.0224369400000000, 0.0045208000000000 ] - [ -0.0386756500000000, -0.0223293900000000, 0.0044494400000000 ] - [ -0.0387893500000000, -0.0223112500000000, 0.0045208000000000 ] - [ -0.0379545500000000, -0.0219130700000000, 0.0052242300000000 ] - [ 0.0000000000000000, 0.0438261400000000, 0.0052242300000000 ] - [ 0.0000000000000000, 0.0446587900000000, 0.0044494400000000 ] - [ -0.0000725700000000, 0.0447481900000000, 0.0045208000000000 ] - [ 0.0000725700000000, 0.0447481900000000, 0.0045208000000000 ] - [ 0.0387167900000000, -0.0224369400000000, 0.0045208000000000 ] - [ 0.0386756500000000, -0.0223293900000000, 0.0044494400000000 ] - [ 0.0379545500000000, -0.0219130700000000, 0.0052242300000000 ] - [ 0.0387893500000000, -0.0223112500000000, 0.0045208000000000 ] - [ -0.0000002700000000, -0.0584000200000000, 0.0005080900000000 ] - [ 0.0000002700000000, -0.0584000200000000, 0.0005080900000000 ] - [ 0.0000000000000000, -0.0583996300000000, 0.0007673900000000 ] - [ 0.0000000000000000, -0.0583984400000000, 0.0000792600000000 ] - [ 0.0505742300000000, -0.0291991000000000, -0.0001503300000000 ] - [ 0.0505743200000000, -0.0291991000000000, -0.0002127400000000 ] - [ 0.0505743200000000, -0.0291991000000000, -0.0001109800000000 ] - [ 0.0505742800000000, -0.0291990200000000, -0.0001503300000000 ] - [ -0.0505742300000000, -0.0291991000000000, -0.0001503300000000 ] - [ -0.0505743200000000, -0.0291991000000000, -0.0002127400000000 ] - [ -0.0505742800000000, -0.0291990200000000, -0.0001503300000000 ] - [ -0.0505743200000000, -0.0291991000000000, -0.0001109800000000 ] - [ 0.0505745400000000, 0.0291992200000000, 0.0000792600000000 ] - [ 0.0505760400000000, 0.0291997800000000, 0.0005080900000000 ] - [ 0.0505755700000000, 0.0291998200000000, 0.0007673900000000 ] - [ 0.0505757700000000, 0.0292002500000000, 0.0005080900000000 ] - [ -0.0505760400000000, 0.0291997800000000, 0.0005080900000000 ] - [ -0.0505745400000000, 0.0291992200000000, 0.0000792600000000 ] - [ -0.0505755700000000, 0.0291998200000000, 0.0007673900000000 ] - [ -0.0505757700000000, 0.0292002500000000, 0.0005080900000000 ] - [ 0.0000000000000000, 0.0583982000000000, -0.0001109800000000 ] - [ 0.0000000000000000, 0.0583981900000000, -0.0002127400000000 ] - [ -0.0000000500000000, 0.0583981200000000, -0.0001503300000000 ] - [ 0.0000000500000000, 0.0583981200000000, -0.0001503300000000 ] - [ 0.0385612600000000, 0.0222633600000000, -0.0045882000000000 ] - [ 0.0387036000000000, 0.0223227000000000, -0.0044829700000000 ] - [ 0.0386740900000000, 0.0223285000000000, -0.0044683700000000 ] - [ 0.0386838200000000, 0.0223569500000000, -0.0044829700000000 ] - [ -0.0387036000000000, 0.0223227000000000, -0.0044829700000000 ] - [ -0.0385612600000000, 0.0222633600000000, -0.0045882000000000 ] - [ -0.0386740900000000, 0.0223285000000000, -0.0044683700000000 ] - [ -0.0386838200000000, 0.0223569500000000, -0.0044829700000000 ] - [ 0.0000000000000000, 0.0455978600000000, -0.0036217000000000 ] - [ 0.0000000000000000, 0.0447499600000000, -0.0043644700000000 ] - [ 0.0000724200000000, 0.0446599300000000, -0.0042938700000000 ] - [ -0.0000724200000000, 0.0446599300000000, -0.0042938700000000 ] - [ -0.0387128400000000, -0.0222672400000000, -0.0042938700000000 ] - [ -0.0387546000000000, -0.0223749800000000, -0.0043644700000000 ] - [ -0.0386404200000000, -0.0223926800000000, -0.0042938700000000 ] - [ -0.0394889100000000, -0.0227989300000000, -0.0036217000000000 ] - [ -0.0002829800000000, -0.0001633800000000, -0.0018289200000000 ] - [ 0.0002829800000000, -0.0001633800000000, -0.0018289200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019004300000000 ] - [ 0.0000000000000000, 0.0003267600000000, -0.0018289200000000 ] - [ 0.0000000000000000, 0.0001347300000000, -0.0016449500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018151300000000 ] - [ 0.0001166800000000, -0.0000673600000000, -0.0016449500000000 ] - [ -0.0001166800000000, -0.0000673600000000, -0.0016449500000000 ] - [ 0.0000000000000000, -0.0001344400000000, 0.0020260300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018563500000000 ] - [ -0.0001164300000000, 0.0000672200000000, 0.0020260300000000 ] - [ 0.0001164300000000, 0.0000672200000000, 0.0020260300000000 ] - [ 0.0002842000000000, 0.0001640800000000, 0.0018419400000000 ] - [ -0.0002842000000000, 0.0001640800000000, 0.0018419400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017709300000000 ] - [ 0.0000000000000000, -0.0003281700000000, 0.0018419400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015585800000000 ] - [ 0.0000000000000000, 0.0000002400000000, -0.0001070400000000 ] - [ -0.0000002100000000, -0.0000001200000000, -0.0001070400000000 ] - [ 0.0000002100000000, -0.0000001200000000, -0.0001070400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001243000000000 ] - [ 0.0000000000000000, -0.0000000500000000, 0.0000431300000000 ] - [ 0.0000000400000000, 0.0000000200000000, 0.0000431300000000 ] - [ -0.0000000400000000, 0.0000000200000000, 0.0000431300000000 ]