# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/661f26b7-3181-4b7b-b725-0718ecb80f7a/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 LiBiS2 / I4_1/amd (141) / materials id 33526](https://mdr.nims.go.jp/datasets/36602a53-c192-46db-9c64-1ddab6d55d97) ## 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: "I4_1/amd" number: 141 Hall_symbol: "I 4bw 2bw -1bw"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 3, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ -2.767796895000000, 2.767796895000000, 5.495922385000000 ] # a - [ 2.767796895000000, -2.767796895000000, 5.495922385000000 ] # b - [ 2.767796895000000, 2.767796895000000, -5.495922385000000 ] # c points: - symbol: Bi # 1 coordinates: [ 0.250000000000000, 0.750000000000000, 0.500000000000000 ] mass: 208.980400 - symbol: Bi # 2 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 208.980400 - symbol: Li # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 6.941000 - symbol: Li # 4 coordinates: [ 0.750000000000000, 0.250000000000000, 0.500000000000000 ] mass: 6.941000 - symbol: S # 5 coordinates: [ 0.997016040000000, 0.497016040000000, 0.500000000000000 ] mass: 32.065000 - symbol: S # 6 coordinates: [ 0.752983960000000, 0.752983960000000, 0.000000000000000 ] mass: 32.065000 - symbol: S # 7 coordinates: [ 0.502983960000000, 0.002983960000000, 0.500000000000000 ] mass: 32.065000 - symbol: S # 8 coordinates: [ 0.247016040000000, 0.247016040000000, 0.000000000000000 ] mass: 32.065000 reciprocal_lattice: # without 2pi - [ -0.000000000000000, 0.180649093473313, 0.090976539509482 ] # a* - [ 0.180649093473313, 0.000000000000000, 0.090976539509482 ] # b* - [ 0.180649093473313, 0.180649093473313, 0.000000000000000 ] # c*unit_cell: lattice: - [ 5.535593790000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.535593790000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.991844770000000 ] # c points: - symbol: Bi # 1 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 208.980400 reduced_to: 1 - symbol: Bi # 2 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 208.980400 reduced_to: 2 - symbol: Bi # 3 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 208.980400 reduced_to: 1 - symbol: Bi # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 208.980400 reduced_to: 2 - symbol: Li # 5 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 6 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 6 - symbol: Li # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 8 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 6 - symbol: S # 9 coordinates: [ 0.000000000000000, 0.500000000000000, 0.497016040000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 10 coordinates: [ 0.500000000000000, 0.500000000000000, 0.252983960000000 ] mass: 32.065000 reduced_to: 10 - symbol: S # 11 coordinates: [ 0.000000000000000, 0.500000000000000, 0.002983960000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 12 coordinates: [ 0.000000000000000, 0.000000000000000, 0.247016040000000 ] mass: 32.065000 reduced_to: 12 - symbol: S # 13 coordinates: [ 0.500000000000000, 0.000000000000000, 0.997016040000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 14 coordinates: [ 0.000000000000000, 0.000000000000000, 0.752983960000000 ] mass: 32.065000 reduced_to: 10 - symbol: S # 15 coordinates: [ 0.500000000000000, 0.000000000000000, 0.502983960000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 16 coordinates: [ 0.500000000000000, 0.500000000000000, 0.747016040000000 ] mass: 32.065000 reduced_to: 12supercell: lattice: - [ 16.606781370000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 16.606781370000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.991844770000000 ] # c points: - symbol: Bi # 1 coordinates: [ 0.166666666666667, 0.000000000000000, 0.250000000000000 ] mass: 208.980400 reduced_to: 1 - symbol: Bi # 2 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 208.980400 reduced_to: 1 - symbol: Bi # 3 coordinates: [ 0.833333333333333, 0.000000000000000, 0.250000000000000 ] mass: 208.980400 reduced_to: 1 - symbol: Bi # 4 coordinates: [ 0.166666666666667, 0.333333333333333, 0.250000000000000 ] mass: 208.980400 reduced_to: 1 - symbol: Bi # 5 coordinates: [ 0.500000000000000, 0.333333333333333, 0.250000000000000 ] mass: 208.980400 reduced_to: 1 - symbol: Bi # 6 coordinates: [ 0.833333333333333, 0.333333333333333, 0.250000000000000 ] mass: 208.980400 reduced_to: 1 - symbol: Bi # 7 coordinates: [ 0.166666666666667, 0.666666666666667, 0.250000000000000 ] mass: 208.980400 reduced_to: 1 - symbol: Bi # 8 coordinates: [ 0.500000000000000, 0.666666666666667, 0.250000000000000 ] mass: 208.980400 reduced_to: 1 - symbol: Bi # 9 coordinates: [ 0.833333333333333, 0.666666666666667, 0.250000000000000 ] mass: 208.980400 reduced_to: 1 - symbol: Bi # 10 coordinates: [ 0.166666666666667, 0.166666666666667, 0.000000000000000 ] mass: 208.980400 reduced_to: 10 - symbol: Bi # 11 coordinates: [ 0.500000000000000, 0.166666666666667, 0.000000000000000 ] mass: 208.980400 reduced_to: 10 - symbol: Bi # 12 coordinates: [ 0.833333333333333, 0.166666666666667, 0.000000000000000 ] mass: 208.980400 reduced_to: 10 - symbol: Bi # 13 coordinates: [ 0.166666666666667, 0.500000000000000, 0.000000000000000 ] mass: 208.980400 reduced_to: 10 - symbol: Bi # 14 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 208.980400 reduced_to: 10 - symbol: Bi # 15 coordinates: [ 0.833333333333333, 0.500000000000000, 0.000000000000000 ] mass: 208.980400 reduced_to: 10 - symbol: Bi # 16 coordinates: [ 0.166666666666667, 0.833333333333333, 0.000000000000000 ] mass: 208.980400 reduced_to: 10 - symbol: Bi # 17 coordinates: [ 0.500000000000000, 0.833333333333333, 0.000000000000000 ] mass: 208.980400 reduced_to: 10 - symbol: Bi # 18 coordinates: [ 0.833333333333333, 0.833333333333333, 0.000000000000000 ] mass: 208.980400 reduced_to: 10 - symbol: Bi # 19 coordinates: [ 0.000000000000000, 0.166666666666667, 0.750000000000000 ] mass: 208.980400 reduced_to: 1 - symbol: Bi # 20 coordinates: [ 0.333333333333333, 0.166666666666667, 0.750000000000000 ] mass: 208.980400 reduced_to: 1 - symbol: Bi # 21 coordinates: [ 0.666666666666667, 0.166666666666667, 0.750000000000000 ] mass: 208.980400 reduced_to: 1 - symbol: Bi # 22 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 208.980400 reduced_to: 1 - symbol: Bi # 23 coordinates: [ 0.333333333333333, 0.500000000000000, 0.750000000000000 ] mass: 208.980400 reduced_to: 1 - symbol: Bi # 24 coordinates: [ 0.666666666666667, 0.500000000000000, 0.750000000000000 ] mass: 208.980400 reduced_to: 1 - symbol: Bi # 25 coordinates: [ 0.000000000000000, 0.833333333333333, 0.750000000000000 ] mass: 208.980400 reduced_to: 1 - symbol: Bi # 26 coordinates: [ 0.333333333333333, 0.833333333333333, 0.750000000000000 ] mass: 208.980400 reduced_to: 1 - symbol: Bi # 27 coordinates: [ 0.666666666666667, 0.833333333333333, 0.750000000000000 ] mass: 208.980400 reduced_to: 1 - symbol: Bi # 28 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 208.980400 reduced_to: 10 - symbol: Bi # 29 coordinates: [ 0.333333333333333, 0.000000000000000, 0.500000000000000 ] mass: 208.980400 reduced_to: 10 - symbol: Bi # 30 coordinates: [ 0.666666666666667, 0.000000000000000, 0.500000000000000 ] mass: 208.980400 reduced_to: 10 - symbol: Bi # 31 coordinates: [ 0.000000000000000, 0.333333333333333, 0.500000000000000 ] mass: 208.980400 reduced_to: 10 - symbol: Bi # 32 coordinates: [ 0.333333333333333, 0.333333333333333, 0.500000000000000 ] mass: 208.980400 reduced_to: 10 - symbol: Bi # 33 coordinates: [ 0.666666666666667, 0.333333333333333, 0.500000000000000 ] mass: 208.980400 reduced_to: 10 - symbol: Bi # 34 coordinates: [ 0.000000000000000, 0.666666666666667, 0.500000000000000 ] mass: 208.980400 reduced_to: 10 - symbol: Bi # 35 coordinates: [ 0.333333333333333, 0.666666666666667, 0.500000000000000 ] mass: 208.980400 reduced_to: 10 - symbol: Bi # 36 coordinates: [ 0.666666666666667, 0.666666666666667, 0.500000000000000 ] mass: 208.980400 reduced_to: 10 - symbol: Li # 37 coordinates: [ 0.166666666666667, 0.166666666666667, 0.500000000000000 ] mass: 6.941000 reduced_to: 37 - symbol: Li # 38 coordinates: [ 0.500000000000000, 0.166666666666667, 0.500000000000000 ] mass: 6.941000 reduced_to: 37 - symbol: Li # 39 coordinates: [ 0.833333333333333, 0.166666666666667, 0.500000000000000 ] mass: 6.941000 reduced_to: 37 - symbol: Li # 40 coordinates: [ 0.166666666666667, 0.500000000000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 37 - symbol: Li # 41 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 37 - symbol: Li # 42 coordinates: [ 0.833333333333333, 0.500000000000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 37 - symbol: Li # 43 coordinates: [ 0.166666666666667, 0.833333333333333, 0.500000000000000 ] mass: 6.941000 reduced_to: 37 - symbol: Li # 44 coordinates: [ 0.500000000000000, 0.833333333333333, 0.500000000000000 ] mass: 6.941000 reduced_to: 37 - symbol: Li # 45 coordinates: [ 0.833333333333333, 0.833333333333333, 0.500000000000000 ] mass: 6.941000 reduced_to: 37 - symbol: Li # 46 coordinates: [ 0.000000000000000, 0.166666666666667, 0.250000000000000 ] mass: 6.941000 reduced_to: 46 - symbol: Li # 47 coordinates: [ 0.333333333333333, 0.166666666666667, 0.250000000000000 ] mass: 6.941000 reduced_to: 46 - symbol: Li # 48 coordinates: [ 0.666666666666667, 0.166666666666667, 0.250000000000000 ] mass: 6.941000 reduced_to: 46 - symbol: Li # 49 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 46 - symbol: Li # 50 coordinates: [ 0.333333333333333, 0.500000000000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 46 - symbol: Li # 51 coordinates: [ 0.666666666666667, 0.500000000000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 46 - symbol: Li # 52 coordinates: [ 0.000000000000000, 0.833333333333333, 0.250000000000000 ] mass: 6.941000 reduced_to: 46 - symbol: Li # 53 coordinates: [ 0.333333333333333, 0.833333333333333, 0.250000000000000 ] mass: 6.941000 reduced_to: 46 - symbol: Li # 54 coordinates: [ 0.666666666666667, 0.833333333333333, 0.250000000000000 ] mass: 6.941000 reduced_to: 46 - symbol: Li # 55 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 37 - symbol: Li # 56 coordinates: [ 0.333333333333333, 0.000000000000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 37 - symbol: Li # 57 coordinates: [ 0.666666666666667, 0.000000000000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 37 - symbol: Li # 58 coordinates: [ 0.000000000000000, 0.333333333333333, 0.000000000000000 ] mass: 6.941000 reduced_to: 37 - symbol: Li # 59 coordinates: [ 0.333333333333333, 0.333333333333333, 0.000000000000000 ] mass: 6.941000 reduced_to: 37 - symbol: Li # 60 coordinates: [ 0.666666666666667, 0.333333333333333, 0.000000000000000 ] mass: 6.941000 reduced_to: 37 - symbol: Li # 61 coordinates: [ 0.000000000000000, 0.666666666666667, 0.000000000000000 ] mass: 6.941000 reduced_to: 37 - symbol: Li # 62 coordinates: [ 0.333333333333333, 0.666666666666667, 0.000000000000000 ] mass: 6.941000 reduced_to: 37 - symbol: Li # 63 coordinates: [ 0.666666666666667, 0.666666666666667, 0.000000000000000 ] mass: 6.941000 reduced_to: 37 - symbol: Li # 64 coordinates: [ 0.166666666666667, 0.000000000000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 46 - symbol: Li # 65 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 46 - symbol: Li # 66 coordinates: [ 0.833333333333333, 0.000000000000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 46 - symbol: Li # 67 coordinates: [ 0.166666666666667, 0.333333333333333, 0.750000000000000 ] mass: 6.941000 reduced_to: 46 - symbol: Li # 68 coordinates: [ 0.500000000000000, 0.333333333333333, 0.750000000000000 ] mass: 6.941000 reduced_to: 46 - symbol: Li # 69 coordinates: [ 0.833333333333333, 0.333333333333333, 0.750000000000000 ] mass: 6.941000 reduced_to: 46 - symbol: Li # 70 coordinates: [ 0.166666666666667, 0.666666666666667, 0.750000000000000 ] mass: 6.941000 reduced_to: 46 - symbol: Li # 71 coordinates: [ 0.500000000000000, 0.666666666666667, 0.750000000000000 ] mass: 6.941000 reduced_to: 46 - symbol: Li # 72 coordinates: [ 0.833333333333333, 0.666666666666667, 0.750000000000000 ] mass: 6.941000 reduced_to: 46 - symbol: S # 73 coordinates: [ 0.000000000000000, 0.166666666666667, 0.497016040000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 74 coordinates: [ 0.333333333333333, 0.166666666666667, 0.497016040000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 75 coordinates: [ 0.666666666666667, 0.166666666666667, 0.497016040000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 76 coordinates: [ 0.000000000000000, 0.500000000000000, 0.497016040000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 77 coordinates: [ 0.333333333333333, 0.500000000000000, 0.497016040000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 78 coordinates: [ 0.666666666666667, 0.500000000000000, 0.497016040000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 79 coordinates: [ 0.000000000000000, 0.833333333333333, 0.497016040000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 80 coordinates: [ 0.333333333333333, 0.833333333333333, 0.497016040000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 81 coordinates: [ 0.666666666666667, 0.833333333333333, 0.497016040000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 82 coordinates: [ 0.166666666666667, 0.166666666666667, 0.252983960000000 ] mass: 32.065000 reduced_to: 82 - symbol: S # 83 coordinates: [ 0.500000000000000, 0.166666666666667, 0.252983960000000 ] mass: 32.065000 reduced_to: 82 - symbol: S # 84 coordinates: [ 0.833333333333333, 0.166666666666667, 0.252983960000000 ] mass: 32.065000 reduced_to: 82 - symbol: S # 85 coordinates: [ 0.166666666666667, 0.500000000000000, 0.252983960000000 ] mass: 32.065000 reduced_to: 82 - symbol: S # 86 coordinates: [ 0.500000000000000, 0.500000000000000, 0.252983960000000 ] mass: 32.065000 reduced_to: 82 - symbol: S # 87 coordinates: [ 0.833333333333333, 0.500000000000000, 0.252983960000000 ] mass: 32.065000 reduced_to: 82 - symbol: S # 88 coordinates: [ 0.166666666666667, 0.833333333333333, 0.252983960000000 ] mass: 32.065000 reduced_to: 82 - symbol: S # 89 coordinates: [ 0.500000000000000, 0.833333333333333, 0.252983960000000 ] mass: 32.065000 reduced_to: 82 - symbol: S # 90 coordinates: [ 0.833333333333333, 0.833333333333333, 0.252983960000000 ] mass: 32.065000 reduced_to: 82 - symbol: S # 91 coordinates: [ 0.000000000000000, 0.166666666666667, 0.002983960000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 92 coordinates: [ 0.333333333333333, 0.166666666666667, 0.002983960000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 93 coordinates: [ 0.666666666666667, 0.166666666666667, 0.002983960000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 94 coordinates: [ 0.000000000000000, 0.500000000000000, 0.002983960000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 95 coordinates: [ 0.333333333333333, 0.500000000000000, 0.002983960000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 96 coordinates: [ 0.666666666666667, 0.500000000000000, 0.002983960000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 97 coordinates: [ 0.000000000000000, 0.833333333333333, 0.002983960000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 98 coordinates: [ 0.333333333333333, 0.833333333333333, 0.002983960000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 99 coordinates: [ 0.666666666666667, 0.833333333333333, 0.002983960000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 100 coordinates: [ 0.000000000000000, 0.000000000000000, 0.247016040000000 ] mass: 32.065000 reduced_to: 100 - symbol: S # 101 coordinates: [ 0.333333333333333, 0.000000000000000, 0.247016040000000 ] mass: 32.065000 reduced_to: 100 - symbol: S # 102 coordinates: [ 0.666666666666667, 0.000000000000000, 0.247016040000000 ] mass: 32.065000 reduced_to: 100 - symbol: S # 103 coordinates: [ 0.000000000000000, 0.333333333333333, 0.247016040000000 ] mass: 32.065000 reduced_to: 100 - symbol: S # 104 coordinates: [ 0.333333333333333, 0.333333333333333, 0.247016040000000 ] mass: 32.065000 reduced_to: 100 - symbol: S # 105 coordinates: [ 0.666666666666667, 0.333333333333333, 0.247016040000000 ] mass: 32.065000 reduced_to: 100 - symbol: S # 106 coordinates: [ 0.000000000000000, 0.666666666666667, 0.247016040000000 ] mass: 32.065000 reduced_to: 100 - symbol: S # 107 coordinates: [ 0.333333333333333, 0.666666666666667, 0.247016040000000 ] mass: 32.065000 reduced_to: 100 - symbol: S # 108 coordinates: [ 0.666666666666667, 0.666666666666667, 0.247016040000000 ] mass: 32.065000 reduced_to: 100 - symbol: S # 109 coordinates: [ 0.166666666666667, 0.000000000000000, 0.997016040000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 110 coordinates: [ 0.500000000000000, 0.000000000000000, 0.997016040000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 111 coordinates: [ 0.833333333333333, 0.000000000000000, 0.997016040000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 112 coordinates: [ 0.166666666666667, 0.333333333333333, 0.997016040000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 113 coordinates: [ 0.500000000000000, 0.333333333333333, 0.997016040000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 114 coordinates: [ 0.833333333333333, 0.333333333333333, 0.997016040000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 115 coordinates: [ 0.166666666666667, 0.666666666666667, 0.997016040000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 116 coordinates: [ 0.500000000000000, 0.666666666666667, 0.997016040000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 117 coordinates: [ 0.833333333333333, 0.666666666666667, 0.997016040000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 118 coordinates: [ 0.000000000000000, 0.000000000000000, 0.752983960000000 ] mass: 32.065000 reduced_to: 82 - symbol: S # 119 coordinates: [ 0.333333333333333, 0.000000000000000, 0.752983960000000 ] mass: 32.065000 reduced_to: 82 - symbol: S # 120 coordinates: [ 0.666666666666667, 0.000000000000000, 0.752983960000000 ] mass: 32.065000 reduced_to: 82 - symbol: S # 121 coordinates: [ 0.000000000000000, 0.333333333333333, 0.752983960000000 ] mass: 32.065000 reduced_to: 82 - symbol: S # 122 coordinates: [ 0.333333333333333, 0.333333333333333, 0.752983960000000 ] mass: 32.065000 reduced_to: 82 - symbol: S # 123 coordinates: [ 0.666666666666667, 0.333333333333333, 0.752983960000000 ] mass: 32.065000 reduced_to: 82 - symbol: S # 124 coordinates: [ 0.000000000000000, 0.666666666666667, 0.752983960000000 ] mass: 32.065000 reduced_to: 82 - symbol: S # 125 coordinates: [ 0.333333333333333, 0.666666666666667, 0.752983960000000 ] mass: 32.065000 reduced_to: 82 - symbol: S # 126 coordinates: [ 0.666666666666667, 0.666666666666667, 0.752983960000000 ] mass: 32.065000 reduced_to: 82 - symbol: S # 127 coordinates: [ 0.166666666666667, 0.000000000000000, 0.502983960000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 128 coordinates: [ 0.500000000000000, 0.000000000000000, 0.502983960000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 129 coordinates: [ 0.833333333333333, 0.000000000000000, 0.502983960000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 130 coordinates: [ 0.166666666666667, 0.333333333333333, 0.502983960000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 131 coordinates: [ 0.500000000000000, 0.333333333333333, 0.502983960000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 132 coordinates: [ 0.833333333333333, 0.333333333333333, 0.502983960000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 133 coordinates: [ 0.166666666666667, 0.666666666666667, 0.502983960000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 134 coordinates: [ 0.500000000000000, 0.666666666666667, 0.502983960000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 135 coordinates: [ 0.833333333333333, 0.666666666666667, 0.502983960000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 136 coordinates: [ 0.166666666666667, 0.166666666666667, 0.747016040000000 ] mass: 32.065000 reduced_to: 100 - symbol: S # 137 coordinates: [ 0.500000000000000, 0.166666666666667, 0.747016040000000 ] mass: 32.065000 reduced_to: 100 - symbol: S # 138 coordinates: [ 0.833333333333333, 0.166666666666667, 0.747016040000000 ] mass: 32.065000 reduced_to: 100 - symbol: S # 139 coordinates: [ 0.166666666666667, 0.500000000000000, 0.747016040000000 ] mass: 32.065000 reduced_to: 100 - symbol: S # 140 coordinates: [ 0.500000000000000, 0.500000000000000, 0.747016040000000 ] mass: 32.065000 reduced_to: 100 - symbol: S # 141 coordinates: [ 0.833333333333333, 0.500000000000000, 0.747016040000000 ] mass: 32.065000 reduced_to: 100 - symbol: S # 142 coordinates: [ 0.166666666666667, 0.833333333333333, 0.747016040000000 ] mass: 32.065000 reduced_to: 100 - symbol: S # 143 coordinates: [ 0.500000000000000, 0.833333333333333, 0.747016040000000 ] mass: 32.065000 reduced_to: 100 - symbol: S # 144 coordinates: [ 0.833333333333333, 0.833333333333333, 0.747016040000000 ] mass: 32.065000 reduced_to: 100born_effective_charge:- # 1 (Bi) - [ 9.221531669999999, -0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 9.221531669999999, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 5.120514970000000 ]- # 2 (Bi) - [ 9.221531669999999, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 9.221531669999999, -0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 5.120514970000000 ]- # 3 (Li) - [ 1.505464190000000, -0.000000000000000, -0.000000000000000 ] - [ -0.000000000000000, 1.505464190000000, -0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, 1.816155890000000 ]- # 4 (Li) - [ 1.505464190000000, 0.000000000000000, -0.000000000000000 ] - [ -0.000000000000000, 1.505464190000000, 0.000000000000000 ] - [ -0.000000000000000, -0.000000000000000, 1.816155890000000 ]- # 5 (S) - [ -0.741827410000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -9.985168450000000, -0.000000000000000 ] - [ -0.000000000000000, -0.000000000000000, -3.468335430000000 ]- # 6 (S) - [ -0.741827410000000, -0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, -9.985168450000000, -0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, -3.468335430000000 ]- # 7 (S) - [ -9.985168450000000, -0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, -0.741827410000000, 0.000000000000000 ] - [ -0.000000000000000, -0.000000000000000, -3.468335430000000 ]- # 8 (S) - [ -9.985168450000000, 0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, -0.741827410000000, -0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, -3.468335430000000 ]dielectric_constant: - [ 29.643375420000002, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 29.643375420000002, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 10.677762290000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0692405100000000, 0.0000000000000000, -0.0000405300000000 ] - [ 0.0191069700000000, 0.0000000000000000, -0.0001126000000000 ] - [ 0.0190231600000000, 0.0000000000000000, 0.0001168000000000 ] - [ 0.0004072300000000, -0.0000218300000000, -0.0000030400000000 ] - [ 0.0003009800000000, 0.0008875900000000, 0.0001501100000000 ] - [ 0.0003039500000000, -0.0008857600000000, -0.0001490500000000 ] - [ 0.0004072300000000, 0.0000218300000000, -0.0000030400000000 ] - [ 0.0003009800000000, -0.0008875900000000, 0.0001501100000000 ] - [ 0.0003039500000000, 0.0008857600000000, -0.0001490500000000 ] - [ -0.0026588800000000, -0.0000133500000000, 0.0000228600000000 ] - [ 0.0010711300000000, 0.0008318900000000, -0.0009416700000000 ] - [ 0.0010633200000000, -0.0008256900000000, 0.0009401100000000 ] - [ -0.0004322100000000, 0.0000000000000000, 0.0000123500000000 ] - [ 0.0002036700000000, 0.0000000000000000, -0.0003170900000000 ] - [ 0.0002053700000000, 0.0000000000000000, 0.0003177300000000 ] - [ -0.0026588800000000, 0.0000133500000000, 0.0000228600000000 ] - [ 0.0010711300000000, -0.0008318900000000, -0.0009416700000000 ] - [ 0.0010633200000000, 0.0008256900000000, 0.0009401100000000 ] - [ -0.0004841300000000, -0.0007136800000000, -0.0002673800000000 ] - [ -0.0004942100000000, 0.0007248000000000, 0.0002675900000000 ] - [ 0.0008709500000000, 0.0000017300000000, -0.0000006200000000 ] - [ -0.0002012600000000, 0.0000000000000000, -0.0003181900000000 ] - [ -0.0002058000000000, 0.0000000000000000, 0.0003210300000000 ] - [ 0.0004021200000000, 0.0000000000000000, -0.0000000800000000 ] - [ -0.0004841300000000, 0.0007136800000000, -0.0002673800000000 ] - [ -0.0004942100000000, -0.0007248000000000, 0.0002675900000000 ] - [ 0.0008709500000000, -0.0000017300000000, -0.0000006200000000 ] - [ 0.0015473800000000, 0.0000000000000000, -0.0161734900000000 ] - [ 0.0015620800000000, 0.0000000000000000, 0.0163368200000000 ] - [ 0.0024181200000000, 0.0000000000000000, -0.0000177500000000 ] - [ -0.0003150000000000, -0.0008260600000000, 0.0002727700000000 ] - [ -0.0003219700000000, 0.0008313400000000, -0.0002787700000000 ] - [ 0.0006063700000000, -0.0000013400000000, -0.0000006900000000 ] - [ -0.0003150000000000, 0.0008260600000000, 0.0002727700000000 ] - [ -0.0003219700000000, -0.0008313400000000, -0.0002787700000000 ] - [ 0.0006063700000000, 0.0000013400000000, -0.0000006900000000 ] - [ -0.0006635600000000, 0.0000423100000000, -0.0000036800000000 ] - [ 0.0002931300000000, 0.0002433700000000, 0.0001540300000000 ] - [ 0.0002452300000000, -0.0001484200000000, -0.0001540000000000 ] - [ -0.0001587900000000, 0.0000000000000000, -0.0000013700000000 ] - [ 0.0001023700000000, 0.0000000000000000, 0.0000449200000000 ] - [ 0.0000554200000000, 0.0000000000000000, -0.0000445400000000 ] - [ -0.0006635600000000, -0.0000423100000000, -0.0000036800000000 ] - [ 0.0002931300000000, -0.0002433700000000, 0.0001540300000000 ] - [ 0.0002452300000000, 0.0001484200000000, -0.0001540000000000 ] - [ 0.0002414500000000, -0.0037095100000000, 0.0000388800000000 ] - [ 0.0001977700000000, 0.0038468400000000, -0.0000386300000000 ] - [ 0.0007813700000000, 0.0000434900000000, 0.0000001700000000 ] - [ -0.0000872800000000, 0.0000000000000000, 0.0000451700000000 ] - [ -0.0001392900000000, 0.0000000000000000, -0.0000464400000000 ] - [ 0.0002403700000000, 0.0000000000000000, -0.0000001800000000 ] - [ 0.0002414500000000, 0.0037095100000000, 0.0000388800000000 ] - [ 0.0001977700000000, -0.0038468400000000, -0.0000386300000000 ] - [ 0.0007813700000000, -0.0000434900000000, 0.0000001700000000 ] - [ 0.0002904500000000, 0.0000000000000000, 0.0028368900000000 ] - [ 0.0002472800000000, 0.0000000000000000, -0.0028683100000000 ] - [ 0.0007316900000000, 0.0000000000000000, 0.0000030000000000 ] - [ -0.0000986600000000, -0.0002835800000000, -0.0000538600000000 ] - [ -0.0001472900000000, 0.0001929200000000, 0.0000549200000000 ] - [ 0.0002344700000000, -0.0000463900000000, 0.0000001400000000 ] - [ -0.0000986600000000, 0.0002835800000000, -0.0000538600000000 ] - [ -0.0001472900000000, -0.0001929200000000, 0.0000549200000000 ] - [ 0.0002344700000000, 0.0000463900000000, 0.0000001400000000 ] - [ 0.0002216700000000, 0.0000000000000000, -0.0000007400000000 ] - [ 0.0002682800000000, 0.0000000000000000, -0.0000194800000000 ] - [ 0.0002194000000000, 0.0000000000000000, 0.0000198800000000 ] - [ -0.0001628200000000, -0.0000467200000000, 0.0000002400000000 ] - [ 0.0001042900000000, 0.0000182000000000, -0.0000204800000000 ] - [ 0.0000577100000000, -0.0001112200000000, 0.0000206500000000 ] - [ -0.0001628200000000, 0.0000467200000000, 0.0000002400000000 ] - [ 0.0001042900000000, -0.0000182000000000, -0.0000204800000000 ] - [ 0.0000577100000000, 0.0001112200000000, 0.0000206500000000 ] - [ 0.0001719900000000, 0.0009271000000000, -0.1695530700000000 ] - [ 0.0001825800000000, -0.0009426400000000, -0.1715404200000000 ] - [ -0.0005111200000000, -0.0000034100000000, -0.1705397800000000 ] - [ 0.0000789900000000, 0.0000000000000000, -0.1704745500000000 ] - [ 0.0000841700000000, 0.0000000000000000, -0.1706101200000000 ] - [ -0.0002052000000000, 0.0000000000000000, -0.1705418800000000 ] - [ 0.0001719900000000, -0.0009271000000000, -0.1695530700000000 ] - [ 0.0001825800000000, 0.0009426400000000, -0.1715404200000000 ] - [ -0.0005111200000000, 0.0000034100000000, -0.1705397800000000 ] - [ 0.0042259500000000, -0.0000308400000000, 0.1705324300000000 ] - [ -0.0014823600000000, -0.0013479100000000, 0.1708922200000000 ] - [ -0.0014662700000000, 0.0013368300000000, 0.1701920700000000 ] - [ 0.0002688100000000, 0.0000000000000000, 0.1705373500000000 ] - [ -0.0001249100000000, 0.0000000000000000, 0.1706382600000000 ] - [ -0.0001239000000000, 0.0000000000000000, 0.1704469400000000 ] - [ 0.0042259500000000, 0.0000308400000000, 0.1705324300000000 ] - [ -0.0014823600000000, 0.0013479100000000, 0.1708922200000000 ] - [ -0.0014662700000000, -0.0013368300000000, 0.1701920700000000 ] - [ 0.0002877000000000, 0.0008916700000000, 0.1700457800000000 ] - [ 0.0002947800000000, -0.0009122700000000, 0.1710446600000000 ] - [ -0.0008104000000000, -0.0000047000000000, 0.1705405000000000 ] - [ 0.0001321100000000, 0.0000000000000000, 0.1706455400000000 ] - [ 0.0001384900000000, 0.0000000000000000, 0.1704380200000000 ] - [ -0.0002861900000000, 0.0000000000000000, 0.1705428000000000 ] - [ 0.0002877000000000, -0.0008916700000000, 0.1700457800000000 ] - [ 0.0002947800000000, 0.0009122700000000, 0.1710446600000000 ] - [ -0.0008104000000000, 0.0000047000000000, 0.1705405000000000 ] - [ 0.0127105800000000, 0.0000000000000000, -0.1648576900000000 ] - [ 0.0140724600000000, 0.0000000000000000, -0.1762879800000000 ] - [ -0.0119046000000000, 0.0000000000000000, -0.1705338300000000 ] - [ 0.0001326000000000, 0.0000649800000000, -0.1706677200000000 ] - [ 0.0001418200000000, -0.0000602200000000, -0.1704127100000000 ] - [ -0.0005265900000000, 0.0000034600000000, -0.1705409500000000 ] - [ 0.0001326000000000, -0.0000649800000000, -0.1706677200000000 ] - [ 0.0001418200000000, 0.0000602200000000, -0.1704127100000000 ] - [ -0.0005265900000000, -0.0000034600000000, -0.1705409500000000 ] - [ 0.0039705900000000, 0.0000000000000000, -0.1705141500000000 ] - [ -0.0010821900000000, 0.0000000000000000, -0.1697012900000000 ] - [ -0.0010678500000000, 0.0000000000000000, -0.1713841800000000 ] - [ 0.0003304000000000, 0.0000055300000000, -0.1705431500000000 ] - [ -0.0001861400000000, -0.0001906100000000, -0.1704876300000000 ] - [ -0.0001812800000000, 0.0001951500000000, -0.1705968800000000 ] - [ 0.0003304000000000, -0.0000055300000000, -0.1705431500000000 ] - [ -0.0001861400000000, 0.0001906100000000, -0.1704876300000000 ] - [ -0.0001812800000000, -0.0001951500000000, -0.1705968800000000 ] - [ 0.0006527700000000, 0.0000000000000000, 0.1745394300000000 ] - [ 0.0006627500000000, 0.0000000000000000, 0.1665045800000000 ] - [ -0.0005752000000000, 0.0000000000000000, 0.1705459400000000 ] - [ 0.0001055600000000, 0.0002524500000000, 0.1704963300000000 ] - [ 0.0001122600000000, -0.0002486500000000, 0.1705887400000000 ] - [ -0.0002207700000000, 0.0000040200000000, 0.1705410900000000 ] - [ 0.0001055600000000, -0.0002524500000000, 0.1704963300000000 ] - [ 0.0001122600000000, 0.0002486500000000, 0.1705887400000000 ] - [ -0.0002207700000000, -0.0000040200000000, 0.1705410900000000 ] - [ 0.0046537500000000, 0.0000000000000000, 0.1705179100000000 ] - [ -0.0011290100000000, 0.0000000000000000, 0.1695598400000000 ] - [ -0.0011223900000000, 0.0000000000000000, 0.1715242700000000 ] - [ 0.0004156200000000, 0.0000055500000000, 0.1705442000000000 ] - [ -0.0002292200000000, -0.0001327200000000, 0.1704426500000000 ] - [ -0.0002248600000000, 0.0001391000000000, 0.1706408600000000 ] - [ 0.0004156200000000, -0.0000055500000000, 0.1705442000000000 ] - [ -0.0002292200000000, 0.0001327200000000, 0.1704426500000000 ] - [ -0.0002248600000000, -0.0001391000000000, 0.1706408600000000 ] - [ 0.0005388200000000, -0.0000017300000000, -0.1705460100000000 ] - [ -0.0003164400000000, -0.0001786800000000, -0.1703177500000000 ] - [ -0.0003117200000000, 0.0001685100000000, -0.1707645700000000 ] - [ 0.0002987100000000, 0.0000000000000000, -0.1705456200000000 ] - [ -0.0001484000000000, 0.0000000000000000, -0.1704767700000000 ] - [ -0.0001464600000000, 0.0000000000000000, -0.1706095500000000 ] - [ 0.0005388200000000, 0.0000017300000000, -0.1705460100000000 ] - [ -0.0003164400000000, 0.0001786800000000, -0.1703177500000000 ] - [ -0.0003117200000000, -0.0001685100000000, -0.1707645700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0735956200000000 ] - [ 0.0000915300000000, 0.0000000000000000, -0.0005695600000000 ] - [ -0.0000915300000000, 0.0000000000000000, -0.0005695600000000 ] - [ 0.0000000000000000, -0.0001400900000000, -0.0005620900000000 ] - [ -0.0001500900000000, 0.0001468400000000, -0.0003648600000000 ] - [ 0.0001500900000000, 0.0001468400000000, -0.0003648600000000 ] - [ 0.0000000000000000, 0.0001400900000000, -0.0005620900000000 ] - [ -0.0001500900000000, -0.0001468400000000, -0.0003648600000000 ] - [ 0.0001500900000000, -0.0001468400000000, -0.0003648600000000 ] - [ 0.0000000000000000, -0.0161943000000000, 0.0031044200000000 ] - [ -0.0009371800000000, 0.0002756700000000, -0.0000461100000000 ] - [ 0.0009371800000000, 0.0002756700000000, -0.0000461100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002708200000000 ] - [ -0.0003161900000000, 0.0000000000000000, -0.0000513300000000 ] - [ 0.0003161900000000, 0.0000000000000000, -0.0000513300000000 ] - [ 0.0000000000000000, 0.0161943000000000, 0.0031044200000000 ] - [ -0.0009371800000000, -0.0002756700000000, -0.0000461100000000 ] - [ 0.0009371800000000, -0.0002756700000000, -0.0000461100000000 ] - [ 0.0002666700000000, 0.0002706400000000, 0.0022824600000000 ] - [ -0.0002666700000000, 0.0002706400000000, 0.0022824600000000 ] - [ 0.0000000000000000, 0.0003212900000000, 0.0006894000000000 ] - [ 0.0003198500000000, 0.0000000000000000, 0.0006894000000000 ] - [ -0.0003198500000000, 0.0000000000000000, 0.0006894000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003662000000000 ] - [ 0.0002666700000000, -0.0002706400000000, 0.0022824600000000 ] - [ -0.0002666700000000, -0.0002706400000000, 0.0022824600000000 ] - [ 0.0000000000000000, -0.0003212900000000, 0.0006894000000000 ] - [ -0.0163126000000000, 0.0000000000000000, 0.0031017300000000 ] - [ 0.0163126000000000, 0.0000000000000000, 0.0031017300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002504400000000 ] - [ 0.0002777900000000, 0.0009424900000000, -0.0000535300000000 ] - [ -0.0002777900000000, 0.0009424900000000, -0.0000535300000000 ] - [ 0.0000000000000000, 0.0003164400000000, -0.0000553200000000 ] - [ 0.0002777900000000, -0.0009424900000000, -0.0000535300000000 ] - [ -0.0002777900000000, -0.0009424900000000, -0.0000535300000000 ] - [ 0.0000000000000000, -0.0003164400000000, -0.0000553200000000 ] - [ 0.0000000000000000, 0.0046294600000000, 0.0005927800000000 ] - [ 0.0001896300000000, 0.0002646000000000, -0.0000012200000000 ] - [ -0.0001896300000000, 0.0002646000000000, -0.0000012200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000185200000000 ] - [ 0.0000143000000000, 0.0000000000000000, 0.0000068600000000 ] - [ -0.0000143000000000, 0.0000000000000000, 0.0000068600000000 ] - [ 0.0000000000000000, -0.0046294600000000, 0.0005927800000000 ] - [ 0.0001896300000000, -0.0002646000000000, -0.0000012200000000 ] - [ -0.0001896300000000, -0.0002646000000000, -0.0000012200000000 ] - [ 0.0001441900000000, 0.0001584000000000, -0.0004945400000000 ] - [ -0.0001441900000000, 0.0001584000000000, -0.0004945400000000 ] - [ 0.0000000000000000, 0.0001149100000000, -0.0001114200000000 ] - [ 0.0000949000000000, 0.0000000000000000, -0.0001116200000000 ] - [ -0.0000949000000000, 0.0000000000000000, -0.0001116200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000531300000000 ] - [ 0.0001441900000000, -0.0001584000000000, -0.0004945400000000 ] - [ -0.0001441900000000, -0.0001584000000000, -0.0004945400000000 ] - [ 0.0000000000000000, -0.0001149100000000, -0.0001114200000000 ] - [ 0.0045675800000000, 0.0000000000000000, 0.0005886700000000 ] - [ -0.0045675800000000, 0.0000000000000000, 0.0005886700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000217300000000 ] - [ 0.0002398700000000, -0.0002112600000000, 0.0000001200000000 ] - [ -0.0002398700000000, -0.0002112600000000, 0.0000001200000000 ] - [ 0.0000000000000000, -0.0000370500000000, 0.0000073000000000 ] - [ 0.0002398700000000, 0.0002112600000000, 0.0000001200000000 ] - [ -0.0002398700000000, 0.0002112600000000, 0.0000001200000000 ] - [ 0.0000000000000000, 0.0000370500000000, 0.0000073000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102108900000000 ] - [ -0.0000195200000000, 0.0000000000000000, 0.0001718300000000 ] - [ 0.0000195200000000, 0.0000000000000000, 0.0001718300000000 ] - [ 0.0000000000000000, -0.0000025400000000, 0.0001704000000000 ] - [ -0.0000163700000000, -0.0000067200000000, 0.0000611100000000 ] - [ 0.0000163700000000, -0.0000067200000000, 0.0000611100000000 ] - [ 0.0000000000000000, 0.0000025400000000, 0.0001704000000000 ] - [ -0.0000163700000000, 0.0000067200000000, 0.0000611100000000 ] - [ 0.0000163700000000, 0.0000067200000000, 0.0000611100000000 ] - [ 0.0010000100000000, -0.0014599600000000, -0.1713178300000000 ] - [ -0.0010000100000000, -0.0014599600000000, -0.1713178300000000 ] - [ 0.0000000000000000, -0.0005043900000000, -0.1707681500000000 ] - [ -0.0000706800000000, 0.0000000000000000, -0.1707707700000000 ] - [ 0.0000706800000000, 0.0000000000000000, -0.1707707700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1706518800000000 ] - [ 0.0010000100000000, 0.0014599600000000, -0.1713178300000000 ] - [ -0.0010000100000000, 0.0014599600000000, -0.1713178300000000 ] - [ 0.0000000000000000, 0.0005043900000000, -0.1707681500000000 ] - [ 0.0000000000000000, 0.0007824900000000, 0.1752467200000000 ] - [ 0.0000061800000000, -0.0001722000000000, 0.1707920800000000 ] - [ -0.0000061800000000, -0.0001722000000000, 0.1707920800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1705870400000000 ] - [ 0.0000502600000000, 0.0000000000000000, 0.1706830200000000 ] - [ -0.0000502600000000, 0.0000000000000000, 0.1706830200000000 ] - [ 0.0000000000000000, -0.0007824900000000, 0.1752467200000000 ] - [ 0.0000061800000000, 0.0001722000000000, 0.1707920800000000 ] - [ -0.0000061800000000, 0.0001722000000000, 0.1707920800000000 ] - [ -0.0014492100000000, 0.0009880600000000, 0.1697645300000000 ] - [ 0.0014492100000000, 0.0009880600000000, 0.1697645300000000 ] - [ 0.0000000000000000, -0.0000736300000000, 0.1703124100000000 ] - [ -0.0004985600000000, 0.0000000000000000, 0.1703153500000000 ] - [ 0.0004985600000000, 0.0000000000000000, 0.1703153500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1704337200000000 ] - [ -0.0014492100000000, -0.0009880600000000, 0.1697645300000000 ] - [ 0.0014492100000000, -0.0009880600000000, 0.1697645300000000 ] - [ 0.0000000000000000, 0.0000736300000000, 0.1703124100000000 ] - [ 0.0008180900000000, 0.0000000000000000, -0.1658300100000000 ] - [ -0.0008180900000000, 0.0000000000000000, -0.1658300100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1704852500000000 ] - [ -0.0001760700000000, -0.0000018500000000, -0.1702901900000000 ] - [ 0.0001760700000000, -0.0000018500000000, -0.1702901900000000 ] - [ 0.0000000000000000, -0.0000459200000000, -0.1704004800000000 ] - [ -0.0001760700000000, 0.0000018500000000, -0.1702901900000000 ] - [ 0.0001760700000000, 0.0000018500000000, -0.1702901900000000 ] - [ 0.0000000000000000, 0.0000459200000000, -0.1704004800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1508110100000000 ] - [ 0.0000352300000000, 0.0000000000000000, -0.1703993500000000 ] - [ -0.0000352300000000, 0.0000000000000000, -0.1703993500000000 ] - [ 0.0000000000000000, 0.0020609800000000, -0.1704313600000000 ] - [ 0.0002096500000000, 0.0000417300000000, -0.1704218300000000 ] - [ -0.0002096500000000, 0.0000417300000000, -0.1704218300000000 ] - [ 0.0000000000000000, -0.0020609800000000, -0.1704313600000000 ] - [ 0.0002096500000000, -0.0000417300000000, -0.1704218300000000 ] - [ -0.0002096500000000, -0.0000417300000000, -0.1704218300000000 ] - [ 0.0002013200000000, 0.0000000000000000, 0.1679018800000000 ] - [ -0.0002013200000000, 0.0000000000000000, 0.1679018800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1700641100000000 ] - [ -0.0001186700000000, -0.0000491700000000, 0.1702337000000000 ] - [ 0.0001186700000000, -0.0000491700000000, 0.1702337000000000 ] - [ 0.0000000000000000, -0.0000701500000000, 0.1704272400000000 ] - [ -0.0001186700000000, 0.0000491700000000, 0.1702337000000000 ] - [ 0.0001186700000000, 0.0000491700000000, 0.1702337000000000 ] - [ 0.0000000000000000, 0.0000701500000000, 0.1704272400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1916826100000000 ] - [ -0.0020813200000000, 0.0000000000000000, 0.1706618300000000 ] - [ 0.0020813200000000, 0.0000000000000000, 0.1706618300000000 ] - [ 0.0000000000000000, -0.0000345700000000, 0.1706899200000000 ] - [ -0.0000411900000000, -0.0002095500000000, 0.1706646500000000 ] - [ 0.0000411900000000, -0.0002095500000000, 0.1706646500000000 ] - [ 0.0000000000000000, 0.0000345700000000, 0.1706899200000000 ] - [ -0.0000411900000000, 0.0002095500000000, 0.1706646500000000 ] - [ 0.0000411900000000, 0.0002095500000000, 0.1706646500000000 ] - [ 0.0000000000000000, 0.0001949900000000, -0.1731944500000000 ] - [ 0.0000492800000000, -0.0001206300000000, -0.1708531200000000 ] - [ -0.0000492800000000, -0.0001206300000000, -0.1708531200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1710234900000000 ] - [ 0.0000728100000000, 0.0000000000000000, -0.1706588900000000 ] - [ -0.0000728100000000, 0.0000000000000000, -0.1706588900000000 ] - [ 0.0000000000000000, -0.0001949900000000, -0.1731944500000000 ] - [ 0.0000492800000000, 0.0001206300000000, -0.1708531200000000 ] - [ -0.0000492800000000, 0.0001206300000000, -0.1708531200000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007088700000000, 0.0000058000000000, 0.0000046700000000 ] - [ 0.0002921000000000, -0.0002381900000000, -0.0001654500000000 ] - [ 0.0002908100000000, 0.0002385700000000, 0.0001646600000000 ] - [ -0.0007088700000000, -0.0000058000000000, 0.0000046700000000 ] - [ 0.0002921000000000, 0.0002381900000000, -0.0001654500000000 ] - [ 0.0002908100000000, -0.0002385700000000, 0.0001646600000000 ] - [ -0.0002050000000000, 0.0000000000000000, -0.0000011000000000 ] - [ 0.0001026600000000, 0.0000000000000000, 0.0000098300000000 ] - [ 0.0001013700000000, 0.0000000000000000, -0.0000096400000000 ] - [ 0.0001756400000000, 0.0000000000000000, 0.0000000400000000 ] - [ 0.0002689400000000, 0.0000000000000000, -0.0000437800000000 ] - [ 0.0002678400000000, 0.0000000000000000, 0.0000433300000000 ] - [ -0.0002084400000000, -0.0000002900000000, 0.0000007100000000 ] - [ 0.0001050600000000, 0.0000651600000000, -0.0000402300000000 ] - [ 0.0001043100000000, -0.0000642500000000, 0.0000402100000000 ] - [ -0.0002084400000000, 0.0000002900000000, 0.0000007100000000 ] - [ 0.0001050600000000, -0.0000651600000000, -0.0000402300000000 ] - [ 0.0001043100000000, 0.0000642500000000, 0.0000402100000000 ] - [ 0.0002928100000000, 0.0000000000000000, -0.0045477900000000 ] - [ 0.0002899000000000, 0.0000000000000000, 0.0045778300000000 ] - [ 0.0006852800000000, 0.0000000000000000, 0.0000004800000000 ] - [ -0.0000993000000000, -0.0001955400000000, -0.0002163900000000 ] - [ -0.0001016700000000, 0.0001967600000000, 0.0002178500000000 ] - [ 0.0001883000000000, 0.0000006100000000, -0.0000001000000000 ] - [ -0.0000993000000000, 0.0001955400000000, -0.0002163900000000 ] - [ -0.0001016700000000, -0.0001967600000000, 0.0002178500000000 ] - [ 0.0001883000000000, -0.0000006100000000, -0.0000001000000000 ] - [ 0.0002433900000000, 0.0037670300000000, 0.0001156800000000 ] - [ 0.0002405000000000, -0.0037890200000000, -0.0001161500000000 ] - [ 0.0007361500000000, 0.0000003700000000, 0.0000001800000000 ] - [ 0.0002433900000000, -0.0037670300000000, 0.0001156800000000 ] - [ 0.0002405000000000, 0.0037890200000000, -0.0001161500000000 ] - [ 0.0007361500000000, -0.0000003700000000, 0.0000001800000000 ] - [ -0.0000898800000000, 0.0000000000000000, 0.0000690700000000 ] - [ -0.0000911000000000, 0.0000000000000000, -0.0000697300000000 ] - [ 0.0001937200000000, 0.0000000000000000, -0.0000002400000000 ] - [ -0.0081835800000000, 0.0000000000000000, -0.0000100200000000 ] - [ 0.0011947400000000, 0.0000000000000000, -0.0000025000000000 ] - [ 0.0011528600000000, 0.0000000000000000, 0.0000017500000000 ] - [ 0.0000153300000000, 0.0000212400000000, 0.0000000000000000 ] - [ 0.0000514000000000, 0.0000994500000000, 0.0000058900000000 ] - [ 0.0000044300000000, -0.0000526000000000, -0.0000060300000000 ] - [ 0.0000153300000000, -0.0000212400000000, 0.0000000000000000 ] - [ 0.0000514000000000, -0.0000994500000000, 0.0000058900000000 ] - [ 0.0000044300000000, 0.0000526000000000, -0.0000060300000000 ] - [ 0.0000673100000000, 0.0000000000000000, 0.0007714400000000 ] - [ 0.0000202700000000, 0.0000000000000000, -0.0007771000000000 ] - [ 0.0002333100000000, 0.0000000000000000, -0.0000001300000000 ] - [ -0.0000301400000000, -0.0000298800000000, 0.0000266200000000 ] - [ -0.0000776900000000, 0.0000765300000000, -0.0000266300000000 ] - [ 0.0001047800000000, 0.0000233900000000, -0.0000001600000000 ] - [ -0.0000301400000000, 0.0000298800000000, 0.0000266200000000 ] - [ -0.0000776900000000, -0.0000765300000000, -0.0000266300000000 ] - [ 0.0001047800000000, -0.0000233900000000, -0.0000001600000000 ] - [ -0.0000410700000000, 0.0000614500000000, -0.0000170700000000 ] - [ -0.0000887900000000, -0.0000145600000000, 0.0000175500000000 ] - [ 0.0001235900000000, 0.0000231500000000, 0.0000001900000000 ] - [ -0.0000410700000000, -0.0000614500000000, -0.0000170700000000 ] - [ -0.0000887900000000, 0.0000145600000000, 0.0000175500000000 ] - [ 0.0001235900000000, -0.0000231500000000, 0.0000001900000000 ] - [ -0.0000206900000000, 0.0000000000000000, -0.0000129800000000 ] - [ -0.0000679000000000, 0.0000000000000000, 0.0000127400000000 ] - [ 0.0000879200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001588900000000, 0.0000246500000000, -0.0000007700000000 ] - [ 0.0000887900000000, -0.0000299300000000, 0.0000301700000000 ] - [ 0.0000419400000000, 0.0000764700000000, -0.0000300100000000 ] - [ -0.0001588900000000, -0.0000246500000000, -0.0000007700000000 ] - [ 0.0000887900000000, 0.0000299300000000, 0.0000301700000000 ] - [ 0.0000419400000000, -0.0000764700000000, -0.0000300100000000 ] - [ -0.0000298300000000, 0.0000000000000000, 0.0000001500000000 ] - [ 0.0000379600000000, 0.0000000000000000, -0.0000008500000000 ] - [ -0.0000087500000000, 0.0000000000000000, 0.0000011800000000 ] - [ -0.0005474200000000, 0.0000000000000000, -0.1690173200000000 ] - [ -0.0003281400000000, 0.0000000000000000, -0.1720784100000000 ] - [ -0.0002958400000000, 0.0000000000000000, -0.1705424300000000 ] - [ 0.0001532800000000, 0.0003762500000000, -0.1704807000000000 ] - [ 0.0001589800000000, -0.0003813500000000, -0.1706066300000000 ] - [ -0.0001601700000000, -0.0000021400000000, -0.1705428400000000 ] - [ 0.0001532800000000, -0.0003762500000000, -0.1704807000000000 ] - [ 0.0001589800000000, 0.0003813500000000, -0.1706066300000000 ] - [ -0.0001601700000000, 0.0000021400000000, -0.1705428400000000 ] - [ 0.0007292600000000, 0.0000000000000000, 0.1705506300000000 ] - [ -0.0002914300000000, 0.0000000000000000, 0.1707743700000000 ] - [ -0.0002853200000000, 0.0000000000000000, 0.1703130100000000 ] - [ 0.0001093400000000, -0.0000011200000000, 0.1705421900000000 ] - [ -0.0000595000000000, -0.0000606800000000, 0.1705746400000000 ] - [ -0.0000564600000000, 0.0000569900000000, 0.1705128400000000 ] - [ 0.0001093400000000, 0.0000011200000000, 0.1705421900000000 ] - [ -0.0000595000000000, 0.0000606800000000, 0.1705746400000000 ] - [ -0.0000564600000000, -0.0000569900000000, 0.1705128400000000 ] - [ 0.0000680900000000, 0.0000000000000000, 0.1715043300000000 ] - [ 0.0000746800000000, 0.0000000000000000, 0.1695756200000000 ] - [ -0.0002456500000000, 0.0000000000000000, 0.1705424700000000 ] - [ 0.0000468700000000, 0.0000418600000000, 0.1705905600000000 ] - [ 0.0000509700000000, -0.0000460200000000, 0.1704961200000000 ] - [ -0.0000947400000000, -0.0000031600000000, 0.1705432400000000 ] - [ 0.0000468700000000, -0.0000418600000000, 0.1705905600000000 ] - [ 0.0000509700000000, 0.0000460200000000, 0.1704961200000000 ] - [ -0.0000947400000000, 0.0000031600000000, 0.1705432400000000 ] - [ 0.0000760100000000, -0.0002247900000000, -0.1707412200000000 ] - [ 0.0000807900000000, 0.0002221800000000, -0.1703449000000000 ] - [ -0.0001994100000000, -0.0000025800000000, -0.1705435600000000 ] - [ 0.0000760100000000, 0.0002247900000000, -0.1707412200000000 ] - [ 0.0000807900000000, -0.0002221800000000, -0.1703449000000000 ] - [ -0.0001994100000000, 0.0000025800000000, -0.1705435600000000 ] - [ 0.0000395000000000, 0.0000000000000000, -0.1706367000000000 ] - [ 0.0000444700000000, 0.0000000000000000, -0.1704485500000000 ] - [ -0.0000957700000000, 0.0000000000000000, -0.1705420300000000 ] - [ 0.0001354200000000, -0.0000034800000000, -0.1705440800000000 ] - [ -0.0000825900000000, 0.0000473000000000, -0.1705014000000000 ] - [ -0.0000790700000000, -0.0000505600000000, -0.1705854800000000 ] - [ 0.0001354200000000, 0.0000034800000000, -0.1705440800000000 ] - [ -0.0000825900000000, -0.0000473000000000, -0.1705014000000000 ] - [ -0.0000790700000000, 0.0000505600000000, -0.1705854800000000 ] - [ 0.0000743900000000, 0.0000000000000000, -0.1705422100000000 ] - [ -0.0000388700000000, 0.0000000000000000, -0.1705432500000000 ] - [ -0.0000334500000000, 0.0000000000000000, -0.1705431300000000 ] - [ 0.0000513600000000, -0.0001863900000000, 0.1707591400000000 ] - [ 0.0000568700000000, 0.0001833800000000, 0.1703268900000000 ] - [ -0.0001430300000000, -0.0000022000000000, 0.1705429700000000 ] - [ 0.0000513600000000, 0.0001863900000000, 0.1707591400000000 ] - [ 0.0000568700000000, -0.0001833800000000, 0.1703268900000000 ] - [ -0.0001430300000000, 0.0000022000000000, 0.1705429700000000 ] - [ 0.0000294500000000, 0.0000000000000000, 0.1706138200000000 ] - [ 0.0000348800000000, 0.0000000000000000, 0.1704725100000000 ] - [ -0.0000709800000000, 0.0000000000000000, 0.1705422000000000 ] - [ 0.0018801900000000, 0.0000003100000000, 0.1705419300000000 ] - [ -0.0004993800000000, 0.0003952800000000, 0.1706090000000000 ] - [ -0.0004971500000000, -0.0003977600000000, 0.1704782200000000 ] - [ 0.0018801900000000, -0.0000003100000000, 0.1705419300000000 ] - [ -0.0004993800000000, -0.0003952800000000, 0.1706090000000000 ] - [ -0.0004971500000000, 0.0003977600000000, 0.1704782200000000 ] - [ 0.0002111200000000, 0.0000000000000000, 0.1705427000000000 ] - [ -0.0001166000000000, 0.0000000000000000, 0.1705424200000000 ] - [ -0.0001121500000000, 0.0000000000000000, 0.1705434400000000 ] - [ 0.0013206200000000, 0.0000000000000000, -0.1705515600000000 ] - [ -0.0003557400000000, 0.0000000000000000, -0.1708940100000000 ] - [ -0.0003530300000000, 0.0000000000000000, -0.1701930800000000 ] - [ 0.0001416000000000, -0.0000022200000000, -0.1705430800000000 ] - [ -0.0000777100000000, -0.0000388200000000, -0.1705516600000000 ] - [ -0.0000744100000000, 0.0000348400000000, -0.1705359500000000 ] - [ 0.0001416000000000, 0.0000022200000000, -0.1705430800000000 ] - [ -0.0000777100000000, 0.0000388200000000, -0.1705516600000000 ] - [ -0.0000744100000000, -0.0000348400000000, -0.1705359500000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0028383800000000, 0.0005941200000000 ] - [ -0.0001524900000000, -0.0000533400000000, 0.0000002800000000 ] - [ 0.0001524900000000, -0.0000533400000000, 0.0000002800000000 ] - [ 0.0000000000000000, -0.0028383800000000, 0.0005941200000000 ] - [ -0.0001524900000000, 0.0000533400000000, 0.0000002800000000 ] - [ 0.0001524900000000, 0.0000533400000000, 0.0000002800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000197900000000 ] - [ -0.0000434400000000, 0.0000000000000000, 0.0000072400000000 ] - [ 0.0000434400000000, 0.0000000000000000, 0.0000072400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102122700000000 ] - [ -0.0000180500000000, 0.0000000000000000, 0.0001727100000000 ] - [ 0.0000180500000000, 0.0000000000000000, 0.0001727100000000 ] - [ 0.0000000000000000, 0.0000212800000000, 0.0001708900000000 ] - [ -0.0000197000000000, 0.0000210900000000, 0.0000618900000000 ] - [ 0.0000197000000000, 0.0000210900000000, 0.0000618900000000 ] - [ 0.0000000000000000, -0.0000212800000000, 0.0001708900000000 ] - [ -0.0000197000000000, -0.0000210900000000, 0.0000618900000000 ] - [ 0.0000197000000000, -0.0000210900000000, 0.0000618900000000 ] - [ -0.0028657100000000, 0.0000000000000000, 0.0005865800000000 ] - [ 0.0028657100000000, 0.0000000000000000, 0.0005865800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000186700000000 ] - [ 0.0000548500000000, 0.0001546500000000, -0.0000022700000000 ] - [ -0.0000548500000000, 0.0001546500000000, -0.0000022700000000 ] - [ 0.0000000000000000, 0.0000450600000000, 0.0000059600000000 ] - [ 0.0000548500000000, -0.0001546500000000, -0.0000022700000000 ] - [ -0.0000548500000000, -0.0001546500000000, -0.0000022700000000 ] - [ 0.0000000000000000, -0.0000450600000000, 0.0000059600000000 ] - [ 0.0000446900000000, -0.0000325900000000, -0.0004931100000000 ] - [ -0.0000446900000000, -0.0000325900000000, -0.0004931100000000 ] - [ 0.0000000000000000, -0.0000453100000000, -0.0001127400000000 ] - [ 0.0000446900000000, 0.0000325900000000, -0.0004931100000000 ] - [ -0.0000446900000000, 0.0000325900000000, -0.0004931100000000 ] - [ 0.0000000000000000, 0.0000453100000000, -0.0001127400000000 ] - [ 0.0000461900000000, 0.0000000000000000, -0.0001132800000000 ] - [ -0.0000461900000000, 0.0000000000000000, -0.0001132800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000528100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099148700000000 ] - [ 0.0000229800000000, 0.0000000000000000, 0.0000603300000000 ] - [ -0.0000229800000000, 0.0000000000000000, 0.0000603300000000 ] - [ 0.0000000000000000, 0.0000186800000000, 0.0000605800000000 ] - [ 0.0000172800000000, 0.0000292500000000, -0.0000109600000000 ] - [ -0.0000172800000000, 0.0000292500000000, -0.0000109600000000 ] - [ 0.0000000000000000, -0.0000186800000000, 0.0000605800000000 ] - [ 0.0000172800000000, -0.0000292500000000, -0.0000109600000000 ] - [ -0.0000172800000000, -0.0000292500000000, -0.0000109600000000 ] - [ 0.0007941000000000, 0.0000000000000000, 0.0001310200000000 ] - [ -0.0007941000000000, 0.0000000000000000, 0.0001310200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000071700000000 ] - [ 0.0000498300000000, -0.0000066300000000, -0.0000022400000000 ] - [ -0.0000498300000000, -0.0000066300000000, -0.0000022400000000 ] - [ 0.0000000000000000, 0.0000244200000000, -0.0000006300000000 ] - [ 0.0000498300000000, 0.0000066300000000, -0.0000022400000000 ] - [ -0.0000498300000000, 0.0000066300000000, -0.0000022400000000 ] - [ 0.0000000000000000, -0.0000244200000000, -0.0000006300000000 ] - [ 0.0000402700000000, 0.0000061300000000, 0.0000637100000000 ] - [ -0.0000402700000000, 0.0000061300000000, 0.0000637100000000 ] - [ 0.0000000000000000, 0.0000104500000000, 0.0000150900000000 ] - [ 0.0000402700000000, -0.0000061300000000, 0.0000637100000000 ] - [ -0.0000402700000000, -0.0000061300000000, 0.0000637100000000 ] - [ 0.0000000000000000, -0.0000104500000000, 0.0000150900000000 ] - [ 0.0000361200000000, 0.0000000000000000, 0.0000147400000000 ] - [ -0.0000361200000000, 0.0000000000000000, 0.0000147400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000079300000000 ] - [ 0.0000000000000000, -0.0007552400000000, 0.0001307200000000 ] - [ 0.0000536500000000, -0.0000035000000000, -0.0000028000000000 ] - [ -0.0000536500000000, -0.0000035000000000, -0.0000028000000000 ] - [ 0.0000000000000000, 0.0007552400000000, 0.0001307200000000 ] - [ 0.0000536500000000, 0.0000035000000000, -0.0000028000000000 ] - [ -0.0000536500000000, 0.0000035000000000, -0.0000028000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000070400000000 ] - [ 0.0000221700000000, 0.0000000000000000, -0.0000010800000000 ] - [ -0.0000221700000000, 0.0000000000000000, -0.0000010800000000 ] - [ 0.0002755800000000, 0.0000000000000000, -0.1694306500000000 ] - [ -0.0002755800000000, 0.0000000000000000, -0.1694306500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1704623800000000 ] - [ -0.0000275600000000, 0.0000015700000000, -0.1705031900000000 ] - [ 0.0000275600000000, 0.0000015700000000, -0.1705031900000000 ] - [ 0.0000000000000000, -0.0000121700000000, -0.1705250700000000 ] - [ -0.0000275600000000, -0.0000015700000000, -0.1705031900000000 ] - [ 0.0000275600000000, -0.0000015700000000, -0.1705031900000000 ] - [ 0.0000000000000000, 0.0000121700000000, -0.1705250700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1677449900000000 ] - [ -0.0000064200000000, 0.0000000000000000, 0.1705928200000000 ] - [ 0.0000064200000000, 0.0000000000000000, 0.1705928200000000 ] - [ 0.0000000000000000, 0.0002688400000000, 0.1705576800000000 ] - [ 0.0000302700000000, 0.0000066600000000, 0.1705228700000000 ] - [ -0.0000302700000000, 0.0000066600000000, 0.1705228700000000 ] - [ 0.0000000000000000, -0.0002688400000000, 0.1705576800000000 ] - [ 0.0000302700000000, -0.0000066600000000, 0.1705228700000000 ] - [ -0.0000302700000000, -0.0000066600000000, 0.1705228700000000 ] - [ 0.0000103000000000, 0.0000000000000000, 0.1699590800000000 ] - [ -0.0000103000000000, 0.0000000000000000, 0.1699590800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1704402700000000 ] - [ -0.0000244200000000, -0.0000107400000000, 0.1704972000000000 ] - [ 0.0000244200000000, -0.0000107400000000, 0.1704972000000000 ] - [ 0.0000000000000000, -0.0000105300000000, 0.1705221600000000 ] - [ -0.0000244200000000, 0.0000107400000000, 0.1704972000000000 ] - [ 0.0000244200000000, 0.0000107400000000, 0.1704972000000000 ] - [ 0.0000000000000000, 0.0000105300000000, 0.1705221600000000 ] - [ -0.0002333500000000, -0.0001753300000000, -0.1704423700000000 ] - [ 0.0002333500000000, -0.0001753300000000, -0.1704423700000000 ] - [ 0.0000000000000000, 0.0000091100000000, -0.1705125600000000 ] - [ -0.0002333500000000, 0.0001753300000000, -0.1704423700000000 ] - [ 0.0002333500000000, 0.0001753300000000, -0.1704423700000000 ] - [ 0.0000000000000000, -0.0000091100000000, -0.1705125600000000 ] - [ -0.0000714200000000, 0.0000000000000000, -0.1705207500000000 ] - [ 0.0000714200000000, 0.0000000000000000, -0.1705207500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1705268000000000 ] - [ 0.0000000000000000, -0.0000137000000000, -0.1711308700000000 ] - [ 0.0000064400000000, 0.0000213800000000, -0.1705901900000000 ] - [ -0.0000064400000000, 0.0000213800000000, -0.1705901900000000 ] - [ 0.0000000000000000, 0.0000137000000000, -0.1711308700000000 ] - [ 0.0000064400000000, -0.0000213800000000, -0.1705901900000000 ] - [ -0.0000064400000000, -0.0000213800000000, -0.1705901900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1706432600000000 ] - [ 0.0000050700000000, 0.0000000000000000, -0.1705639800000000 ] - [ -0.0000050700000000, 0.0000000000000000, -0.1705639800000000 ] - [ 0.0001734500000000, 0.0002323000000000, 0.1706460300000000 ] - [ -0.0001734500000000, 0.0002323000000000, 0.1706460300000000 ] - [ 0.0000000000000000, 0.0000677600000000, 0.1705650800000000 ] - [ 0.0001734500000000, -0.0002323000000000, 0.1706460300000000 ] - [ -0.0001734500000000, -0.0002323000000000, 0.1706460300000000 ] - [ 0.0000000000000000, -0.0000677600000000, 0.1705650800000000 ] - [ -0.0000140300000000, 0.0000000000000000, 0.1705745000000000 ] - [ 0.0000140300000000, 0.0000000000000000, 0.1705745000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1705577900000000 ] - [ 0.0000000000000000, -0.0002806300000000, 0.1716497500000000 ] - [ -0.0000020600000000, 0.0000228600000000, 0.1705825300000000 ] - [ 0.0000020600000000, 0.0000228600000000, 0.1705825300000000 ] - [ 0.0000000000000000, 0.0002806300000000, 0.1716497500000000 ] - [ -0.0000020600000000, -0.0000228600000000, 0.1705825300000000 ] - [ 0.0000020600000000, -0.0000228600000000, 0.1705825300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1706206000000000 ] - [ 0.0000083300000000, 0.0000000000000000, 0.1705596300000000 ] - [ -0.0000083300000000, 0.0000000000000000, 0.1705596300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1730932000000000 ] - [ -0.0002761000000000, 0.0000000000000000, -0.1705268600000000 ] - [ 0.0002761000000000, 0.0000000000000000, -0.1705268600000000 ] - [ 0.0000000000000000, 0.0000006600000000, -0.1704918400000000 ] - [ -0.0000101600000000, -0.0000343900000000, -0.1705633600000000 ] - [ 0.0000101600000000, -0.0000343900000000, -0.1705633600000000 ] - [ 0.0000000000000000, -0.0000006600000000, -0.1704918400000000 ] - [ -0.0000101600000000, 0.0000343900000000, -0.1705633600000000 ] - [ 0.0000101600000000, 0.0000343900000000, -0.1705633600000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001768700000000, 0.0008999100000000, 0.0009960900000000 ] - [ -0.0005058400000000, 0.0000007800000000, -0.0000005900000000 ] - [ 0.0001738100000000, -0.0009013900000000, -0.0009981100000000 ] - [ 0.0001768700000000, -0.0008999100000000, 0.0009960900000000 ] - [ -0.0005058400000000, -0.0000007800000000, -0.0000005900000000 ] - [ 0.0001738100000000, 0.0009013900000000, -0.0009981100000000 ] - [ 0.0000821300000000, 0.0000000000000000, -0.0000687600000000 ] - [ -0.0002035500000000, 0.0000000000000000, 0.0000004600000000 ] - [ 0.0000786200000000, 0.0000000000000000, 0.0000688700000000 ] - [ 0.0006639500000000, 0.0000000000000000, -0.0002051500000000 ] - [ -0.0005734400000000, 0.0000000000000000, -0.0000001500000000 ] - [ 0.0006502400000000, 0.0000000000000000, 0.0001978900000000 ] - [ 0.0001071800000000, -0.0001733900000000, 0.0001163400000000 ] - [ -0.0002166100000000, 0.0000003500000000, -0.0000004300000000 ] - [ 0.0001053600000000, 0.0001750600000000, -0.0001162400000000 ] - [ 0.0001071800000000, 0.0001733900000000, 0.0001163400000000 ] - [ -0.0002166100000000, -0.0000003500000000, -0.0000004300000000 ] - [ 0.0001053600000000, -0.0001750600000000, -0.0001162400000000 ] - [ 0.0039732600000000, 0.0000000000000000, -0.0000513600000000 ] - [ -0.0010790200000000, 0.0000000000000000, -0.0000370400000000 ] - [ -0.0010728600000000, 0.0000000000000000, 0.0000381800000000 ] - [ 0.0003352000000000, 0.0000005300000000, -0.0000048900000000 ] - [ -0.0001877300000000, -0.0001344700000000, -0.0002129200000000 ] - [ -0.0001853200000000, 0.0001357500000000, 0.0002124400000000 ] - [ 0.0003352000000000, -0.0000005300000000, -0.0000048900000000 ] - [ -0.0001877300000000, 0.0001344700000000, -0.0002129200000000 ] - [ -0.0001853200000000, -0.0001357500000000, 0.0002124400000000 ] - [ 0.0042313600000000, 0.0000537800000000, -0.0000010200000000 ] - [ -0.0014778600000000, 0.0000628200000000, 0.0000079600000000 ] - [ -0.0014766000000000, -0.0000652400000000, -0.0000067200000000 ] - [ 0.0042313600000000, -0.0000537800000000, -0.0000010200000000 ] - [ -0.0014778600000000, -0.0000628200000000, 0.0000079600000000 ] - [ -0.0014766000000000, 0.0000652400000000, -0.0000067200000000 ] - [ 0.0002715000000000, 0.0000000000000000, 0.0000014300000000 ] - [ -0.0001265300000000, 0.0000000000000000, 0.0000511800000000 ] - [ -0.0001236400000000, 0.0000000000000000, -0.0000514200000000 ] - [ -0.0002778500000000, 0.0000000000000000, 0.0002826500000000 ] - [ -0.0002907000000000, 0.0000000000000000, -0.0000002400000000 ] - [ -0.0006031100000000, 0.0000000000000000, -0.0002738100000000 ] - [ 0.0002004300000000, -0.0003721800000000, -0.0000251000000000 ] - [ -0.0001565400000000, 0.0000237800000000, -0.0000001900000000 ] - [ 0.0001085300000000, 0.0004190900000000, 0.0000250300000000 ] - [ 0.0002004300000000, 0.0003721800000000, -0.0000251000000000 ] - [ -0.0001565400000000, -0.0000237800000000, -0.0000001900000000 ] - [ 0.0001085300000000, -0.0004190900000000, 0.0000250300000000 ] - [ 0.0007346700000000, 0.0000000000000000, 0.0000152300000000 ] - [ -0.0003374600000000, 0.0000000000000000, -0.0000038100000000 ] - [ -0.0002452200000000, 0.0000000000000000, 0.0000036900000000 ] - [ 0.0001133500000000, 0.0000232500000000, 0.0000012400000000 ] - [ -0.0001067000000000, -0.0000143200000000, 0.0000321600000000 ] - [ -0.0000128100000000, 0.0000607800000000, -0.0000319700000000 ] - [ 0.0001133500000000, -0.0000232500000000, 0.0000012400000000 ] - [ -0.0001067000000000, 0.0000143200000000, 0.0000321600000000 ] - [ -0.0000128100000000, -0.0000607800000000, -0.0000319700000000 ] - [ 0.0001390800000000, 0.0000224800000000, 0.0000002900000000 ] - [ -0.0001295400000000, 0.0000667600000000, -0.0000080700000000 ] - [ -0.0000357900000000, -0.0000199600000000, 0.0000083400000000 ] - [ 0.0001390800000000, -0.0000224800000000, 0.0000002900000000 ] - [ -0.0001295400000000, -0.0000667600000000, -0.0000080700000000 ] - [ -0.0000357900000000, 0.0000199600000000, 0.0000083400000000 ] - [ 0.0000793500000000, 0.0000000000000000, -0.0000004900000000 ] - [ -0.0000855600000000, 0.0000000000000000, -0.0000075900000000 ] - [ 0.0000076400000000, 0.0000000000000000, 0.0000076700000000 ] - [ 0.0000995600000000, 0.0002472200000000, -0.0001741900000000 ] - [ -0.0001386900000000, 0.0000234700000000, 0.0000001400000000 ] - [ 0.0000052900000000, -0.0002008600000000, 0.0001743100000000 ] - [ 0.0000995600000000, -0.0002472200000000, -0.0001741900000000 ] - [ -0.0001386900000000, -0.0000234700000000, 0.0000001400000000 ] - [ 0.0000052900000000, 0.0002008600000000, 0.0001743100000000 ] - [ 0.0000763100000000, 0.0000000000000000, 0.0000113700000000 ] - [ -0.0000650900000000, 0.0000000000000000, 0.0000000100000000 ] - [ -0.0000170300000000, 0.0000000000000000, -0.0000116200000000 ] - [ -0.0190392400000000, 0.0000000000000000, -0.1705000800000000 ] - [ 0.0006950700000000, 0.0000000000000000, -0.1704913400000000 ] - [ 0.0006832500000000, 0.0000000000000000, -0.1705927500000000 ] - [ -0.0005412800000000, -0.0000046100000000, -0.1705427100000000 ] - [ 0.0003352700000000, 0.0002218200000000, -0.1704470300000000 ] - [ 0.0003275300000000, -0.0002254200000000, -0.1706369600000000 ] - [ -0.0005412800000000, 0.0000046100000000, -0.1705427100000000 ] - [ 0.0003352700000000, -0.0002218200000000, -0.1704470300000000 ] - [ 0.0003275300000000, 0.0002254200000000, -0.1706369600000000 ] - [ 0.0010905400000000, 0.0000000000000000, 0.1687692800000000 ] - [ 0.0002370200000000, 0.0000000000000000, 0.1705440000000000 ] - [ 0.0011010000000000, 0.0000000000000000, 0.1723053300000000 ] - [ -0.0000832300000000, 0.0001758500000000, 0.1704379500000000 ] - [ 0.0001163000000000, -0.0000015000000000, 0.1705436700000000 ] - [ -0.0000759600000000, -0.0001807600000000, 0.1706463600000000 ] - [ -0.0000832300000000, -0.0001758500000000, 0.1704379500000000 ] - [ 0.0001163000000000, 0.0000015000000000, 0.1705436700000000 ] - [ -0.0000759600000000, 0.0001807600000000, 0.1706463600000000 ] - [ -0.0002500300000000, 0.0000000000000000, 0.1705310300000000 ] - [ 0.0002705600000000, 0.0000000000000000, 0.1704621700000000 ] - [ 0.0002611700000000, 0.0000000000000000, 0.1706222600000000 ] - [ -0.0001637300000000, -0.0000015900000000, 0.1705445000000000 ] - [ 0.0000904000000000, 0.0000308700000000, 0.1705882700000000 ] - [ 0.0000832600000000, -0.0000366100000000, 0.1704968300000000 ] - [ -0.0001637300000000, 0.0000015900000000, 0.1705445000000000 ] - [ 0.0000904000000000, -0.0000308700000000, 0.1705882700000000 ] - [ 0.0000832600000000, 0.0000366100000000, 0.1704968300000000 ] - [ -0.0005265300000000, -0.0000022500000000, -0.1705432300000000 ] - [ 0.0002677800000000, -0.0001062400000000, -0.1706292300000000 ] - [ 0.0002615900000000, 0.0001018600000000, -0.1704561100000000 ] - [ -0.0005265300000000, 0.0000022500000000, -0.1705432300000000 ] - [ 0.0002677800000000, 0.0001062400000000, -0.1706292300000000 ] - [ 0.0002615900000000, -0.0001018600000000, -0.1704561100000000 ] - [ -0.0000841000000000, 0.0000000000000000, -0.1705408000000000 ] - [ 0.0000915800000000, 0.0000000000000000, -0.1705699600000000 ] - [ 0.0000832900000000, 0.0000000000000000, -0.1705137500000000 ] - [ -0.0000885100000000, -0.0002081400000000, -0.1708304000000000 ] - [ 0.0001451000000000, -0.0000011900000000, -0.1705436600000000 ] - [ -0.0000798400000000, 0.0002040000000000, -0.1702540700000000 ] - [ -0.0000885100000000, 0.0002081400000000, -0.1708304000000000 ] - [ 0.0001451000000000, 0.0000011900000000, -0.1705436600000000 ] - [ -0.0000798400000000, -0.0002040000000000, -0.1702540700000000 ] - [ -0.0000442100000000, 0.0000000000000000, -0.1705407100000000 ] - [ 0.0000787900000000, 0.0000000000000000, -0.1705437500000000 ] - [ -0.0000338500000000, 0.0000000000000000, -0.1705421400000000 ] - [ -0.0005524000000000, -0.0000016300000000, 0.1705406400000000 ] - [ 0.0002091700000000, -0.0001212000000000, 0.1706211900000000 ] - [ 0.0002022500000000, 0.0001170000000000, 0.1704630100000000 ] - [ -0.0005524000000000, 0.0000016300000000, 0.1705406400000000 ] - [ 0.0002091700000000, 0.0001212000000000, 0.1706211900000000 ] - [ 0.0002022500000000, -0.0001170000000000, 0.1704630100000000 ] - [ -0.0000725200000000, 0.0000000000000000, 0.1705413400000000 ] - [ 0.0000694300000000, 0.0000000000000000, 0.1705569300000000 ] - [ 0.0000590700000000, 0.0000000000000000, 0.1705270600000000 ] - [ 0.0019095300000000, -0.0029289200000000, 0.1701517600000000 ] - [ 0.0007213600000000, -0.0000005200000000, 0.1705433000000000 ] - [ 0.0019032300000000, 0.0029151400000000, 0.1709344500000000 ] - [ 0.0019095300000000, 0.0029289200000000, 0.1701517600000000 ] - [ 0.0007213600000000, 0.0000005200000000, 0.1705433000000000 ] - [ 0.0019032300000000, -0.0029151400000000, 0.1709344500000000 ] - [ -0.0000161200000000, 0.0000000000000000, 0.1705551600000000 ] - [ 0.0002107900000000, 0.0000000000000000, 0.1705427900000000 ] - [ -0.0000039100000000, 0.0000000000000000, 0.1705278000000000 ] - [ 0.0006359500000000, 0.0000000000000000, -0.1677178500000000 ] - [ 0.0004439400000000, 0.0000000000000000, -0.1705424600000000 ] - [ 0.0006334300000000, 0.0000000000000000, -0.1733450500000000 ] - [ -0.0000633300000000, 0.0001009200000000, -0.1705214100000000 ] - [ 0.0001841100000000, -0.0000015900000000, -0.1705432000000000 ] - [ -0.0000568200000000, -0.0001068600000000, -0.1705636600000000 ] - [ -0.0000633300000000, -0.0001009200000000, -0.1705214100000000 ] - [ 0.0001841100000000, 0.0000015900000000, -0.1705432000000000 ] - [ -0.0000568200000000, 0.0001068600000000, -0.1705636600000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009358300000000, 0.0002780800000000, -0.0014475500000000 ] - [ 0.0000000000000000, 0.0001321600000000, -0.0004950600000000 ] - [ -0.0009358300000000, 0.0002780800000000, -0.0014475500000000 ] - [ -0.0009310000000000, 0.0002994800000000, 0.0014561300000000 ] - [ 0.0000000000000000, 0.0001346800000000, 0.0005025800000000 ] - [ 0.0009310000000000, 0.0002994800000000, 0.0014561300000000 ] - [ -0.0000031000000000, -0.0008047600000000, 0.0000059500000000 ] - [ 0.0000000000000000, -0.0002838800000000, 0.0000026600000000 ] - [ 0.0000031000000000, -0.0008047600000000, 0.0000059500000000 ] - [ 0.0000197500000000, 0.0005446700000000, 0.0000026000000000 ] - [ 0.0000000000000000, 0.0002996300000000, 0.0000031700000000 ] - [ -0.0000197500000000, 0.0005446700000000, 0.0000026000000000 ] - [ -0.0002524100000000, -0.0003123100000000, -0.0000525300000000 ] - [ 0.0000000000000000, -0.0001471300000000, -0.0000745000000000 ] - [ 0.0002524100000000, -0.0003123100000000, -0.0000525300000000 ] - [ 0.0002506500000000, -0.0003209000000000, 0.0000509800000000 ] - [ 0.0000000000000000, -0.0001510100000000, 0.0000731400000000 ] - [ -0.0002506500000000, -0.0003209000000000, 0.0000509800000000 ] - [ 0.0000000000000000, 0.0046564600000000, 0.0000420400000000 ] - [ 0.0000067200000000, 0.0004207100000000, -0.0000036800000000 ] - [ -0.0000067200000000, 0.0004207100000000, -0.0000036800000000 ] - [ 0.0000000000000000, -0.0011244500000000, -0.0020847100000000 ] - [ -0.0001944700000000, -0.0002275800000000, -0.0000403000000000 ] - [ 0.0001944700000000, -0.0002275800000000, -0.0000403000000000 ] - [ 0.0000000000000000, -0.0011292500000000, 0.0020526700000000 ] - [ 0.0001899500000000, -0.0002328400000000, 0.0000376600000000 ] - [ -0.0001899500000000, -0.0002328400000000, 0.0000376600000000 ] - [ 0.0000000000000000, 0.0127513400000000, -0.0007801100000000 ] - [ 0.0013387000000000, 0.0001319500000000, 0.0001716000000000 ] - [ -0.0013387000000000, 0.0001319500000000, 0.0001716000000000 ] - [ 0.0000000000000000, 0.0140307400000000, 0.0008267800000000 ] - [ -0.0013491900000000, 0.0001354500000000, -0.0001716800000000 ] - [ 0.0013491900000000, 0.0001354500000000, -0.0001716800000000 ] - [ 0.0000000000000000, -0.0119039200000000, 0.0000001600000000 ] - [ -0.0000060400000000, -0.0005192100000000, -0.0000008200000000 ] - [ 0.0000060400000000, -0.0005192100000000, -0.0000008200000000 ] - [ 0.0000678700000000, 0.0019301000000000, -0.0000011500000000 ] - [ 0.0000000000000000, 0.0002624000000000, -0.0000003400000000 ] - [ -0.0000678700000000, 0.0019301000000000, -0.0000011500000000 ] - [ -0.0003334100000000, -0.0004982800000000, -0.0000016100000000 ] - [ 0.0000000000000000, -0.0001165000000000, 0.0000101500000000 ] - [ 0.0003334100000000, -0.0004982800000000, -0.0000016100000000 ] - [ 0.0004223500000000, -0.0005483300000000, 0.0000020000000000 ] - [ 0.0000000000000000, -0.0001638300000000, -0.0000104300000000 ] - [ -0.0004223500000000, -0.0005483300000000, 0.0000020000000000 ] - [ 0.0000000000000000, 0.0013722600000000, 0.0000070700000000 ] - [ -0.0000441200000000, 0.0001914900000000, 0.0000008000000000 ] - [ 0.0000441200000000, 0.0001914900000000, 0.0000008000000000 ] - [ 0.0000000000000000, -0.0003539400000000, 0.0002732600000000 ] - [ -0.0001068700000000, -0.0000770800000000, 0.0000086000000000 ] - [ 0.0001068700000000, -0.0000770800000000, 0.0000086000000000 ] - [ 0.0000000000000000, -0.0004066900000000, -0.0002707300000000 ] - [ 0.0000125800000000, -0.0001247600000000, -0.0000082600000000 ] - [ -0.0000125800000000, -0.0001247600000000, -0.0000082600000000 ] - [ 0.0000000000000000, 0.0000632500000000, 0.0000103900000000 ] - [ 0.0000018600000000, 0.0000460100000000, -0.0000225500000000 ] - [ -0.0000018600000000, 0.0000460100000000, -0.0000225500000000 ] - [ 0.0000000000000000, 0.0000283700000000, -0.0000128700000000 ] - [ -0.0000948500000000, 0.0000017800000000, 0.0000228000000000 ] - [ 0.0000948500000000, 0.0000017800000000, 0.0000228000000000 ] - [ 0.0000000000000000, -0.0001942900000000, -0.0000000900000000 ] - [ -0.0000467600000000, -0.0000451100000000, 0.0000002100000000 ] - [ 0.0000467600000000, -0.0000451100000000, 0.0000002100000000 ] - [ 0.0002318100000000, 0.0000738100000000, 0.0002320500000000 ] - [ 0.0000000000000000, 0.0000389700000000, 0.0000690900000000 ] - [ -0.0002318100000000, 0.0000738100000000, 0.0002320500000000 ] - [ -0.0001391100000000, 0.0000336000000000, -0.0002329700000000 ] - [ 0.0000000000000000, -0.0000062000000000, -0.0000702800000000 ] - [ 0.0001391100000000, 0.0000336000000000, -0.0002329700000000 ] - [ 0.0000455800000000, -0.0001494000000000, -0.0000009700000000 ] - [ 0.0000000000000000, -0.0000445000000000, -0.0000001800000000 ] - [ -0.0000455800000000, -0.0001494000000000, -0.0000009700000000 ] - [ 0.0000000000000000, -0.0644386200000000, -0.1705615600000000 ] - [ 0.0000024800000000, -0.0005876100000000, -0.1705386400000000 ] - [ -0.0000024800000000, -0.0005876100000000, -0.1705386400000000 ] - [ 0.0000000000000000, 0.0172093400000000, -0.1696946900000000 ] - [ 0.0002273600000000, 0.0001655200000000, -0.1705174200000000 ] - [ -0.0002273600000000, 0.0001655200000000, -0.1705174200000000 ] - [ 0.0000000000000000, 0.0170727600000000, -0.1713716400000000 ] - [ -0.0002173600000000, 0.0001729200000000, -0.1705643000000000 ] - [ 0.0002173600000000, 0.0001729200000000, -0.1705643000000000 ] - [ -0.0000158000000000, -0.0007661000000000, 0.1705426400000000 ] - [ 0.0000000000000000, -0.0002462500000000, 0.1705411300000000 ] - [ 0.0000158000000000, -0.0007661000000000, 0.1705426400000000 ] - [ 0.0001763100000000, 0.0004062000000000, 0.1704059400000000 ] - [ 0.0000000000000000, 0.0001267100000000, 0.1705244900000000 ] - [ -0.0001763100000000, 0.0004062000000000, 0.1704059400000000 ] - [ -0.0001825800000000, 0.0004162600000000, 0.1706756700000000 ] - [ 0.0000000000000000, 0.0001308800000000, 0.1705605600000000 ] - [ 0.0001825800000000, 0.0004162600000000, 0.1706756700000000 ] - [ 0.0000000000000000, -0.0002529500000000, 0.1704752400000000 ] - [ 0.0000005800000000, -0.0001689800000000, 0.1705419600000000 ] - [ -0.0000005800000000, -0.0001689800000000, 0.1705419600000000 ] - [ 0.0000000000000000, 0.0002650000000000, 0.1708773600000000 ] - [ 0.0000700300000000, 0.0000856900000000, 0.1705516200000000 ] - [ -0.0000700300000000, 0.0000856900000000, 0.1705516200000000 ] - [ 0.0000000000000000, 0.0002695400000000, 0.1702133100000000 ] - [ -0.0000628800000000, 0.0000929900000000, 0.1705323500000000 ] - [ 0.0000628800000000, 0.0000929900000000, 0.1705323500000000 ] - [ 0.0000000000000000, 0.0006395300000000, -0.1686543800000000 ] - [ -0.0001543700000000, -0.0000585400000000, -0.1704402400000000 ] - [ 0.0001543700000000, -0.0000585400000000, -0.1704402400000000 ] - [ 0.0000000000000000, 0.0006322800000000, -0.1724650500000000 ] - [ 0.0001595600000000, -0.0000565500000000, -0.1706451700000000 ] - [ -0.0001595600000000, -0.0000565500000000, -0.1706451700000000 ] - [ 0.0000000000000000, 0.0004411900000000, -0.1705475600000000 ] - [ 0.0000049000000000, 0.0001788500000000, -0.1705412400000000 ] - [ -0.0000049000000000, 0.0001788500000000, -0.1705412400000000 ] - [ -0.0002091800000000, -0.0000924300000000, -0.1701737900000000 ] - [ 0.0000000000000000, -0.0000710600000000, -0.1704335700000000 ] - [ 0.0002091800000000, -0.0000924300000000, -0.1701737900000000 ] - [ 0.0002005100000000, -0.0000966300000000, -0.1709115700000000 ] - [ 0.0000000000000000, -0.0000721600000000, -0.1706544500000000 ] - [ -0.0002005100000000, -0.0000966300000000, -0.1709115700000000 ] - [ -0.0000044500000000, 0.0003253100000000, -0.1705418500000000 ] - [ 0.0000000000000000, 0.0001495600000000, -0.1705434500000000 ] - [ 0.0000044500000000, 0.0003253100000000, -0.1705418500000000 ] - [ 0.0000000000000000, -0.0004151200000000, 0.1683995900000000 ] - [ -0.0001168500000000, -0.0000913300000000, 0.1703817100000000 ] - [ 0.0001168500000000, -0.0000913300000000, 0.1703817100000000 ] - [ 0.0000000000000000, -0.0003948600000000, 0.1727263000000000 ] - [ 0.0001236100000000, -0.0000914600000000, 0.1707033700000000 ] - [ -0.0001236100000000, -0.0000914600000000, 0.1707033700000000 ] - [ 0.0000000000000000, 0.0014064000000000, 0.1705489600000000 ] - [ 0.0000057600000000, 0.0001630000000000, 0.1705415400000000 ] - [ -0.0000057600000000, 0.0001630000000000, 0.1705415400000000 ] - [ -0.0024373500000000, 0.0019024700000000, 0.1711507900000000 ] - [ 0.0000000000000000, -0.0000091800000000, 0.1707091400000000 ] - [ 0.0024373500000000, 0.0019024700000000, 0.1711507900000000 ] - [ 0.0024631500000000, 0.0019157600000000, 0.1699271900000000 ] - [ 0.0000000000000000, -0.0000081700000000, 0.1703726900000000 ] - [ -0.0024631500000000, 0.0019157600000000, 0.1699271900000000 ] - [ 0.0000023300000000, 0.0007160700000000, 0.1705382500000000 ] - [ 0.0000000000000000, 0.0002084000000000, 0.1705412400000000 ] - [ -0.0000023300000000, 0.0007160700000000, 0.1705382500000000 ] - [ -0.0000151400000000, -0.0005315900000000, -0.1705505800000000 ] - [ 0.0000000000000000, -0.0000873200000000, -0.1705426400000000 ] - [ 0.0000151400000000, -0.0005315900000000, -0.1705505800000000 ] - [ 0.0001547400000000, 0.0002628100000000, -0.1703198000000000 ] - [ 0.0000000000000000, 0.0000869400000000, -0.1704915300000000 ] - [ -0.0001547400000000, 0.0002628100000000, -0.1703198000000000 ] - [ -0.0001587300000000, 0.0002716600000000, -0.1707613300000000 ] - [ 0.0000000000000000, 0.0000907700000000, -0.1705921600000000 ] - [ 0.0001587300000000, 0.0002716600000000, -0.1707613300000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0009939400000000, -0.0004962000000000, -0.0007823600000000 ] - [ 0.0000000000000000, 0.0001050100000000, -0.0002294200000000 ] - [ -0.0009939400000000, -0.0004962000000000, -0.0007823600000000 ] - [ 0.0009939400000000, 0.0004962000000000, -0.0007823600000000 ] - [ 0.0000000000000000, -0.0001050100000000, -0.0002294200000000 ] - [ -0.0009939400000000, 0.0004962000000000, -0.0007823600000000 ] - [ 0.0000707700000000, 0.0000000000000000, -0.0002309100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001093700000000 ] - [ -0.0000707700000000, 0.0000000000000000, -0.0002309100000000 ] - [ -0.0040297200000000, 0.0000000000000000, -0.0026453200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004816300000000 ] - [ 0.0040297200000000, 0.0000000000000000, -0.0026453200000000 ] - [ 0.0000481200000000, -0.0002247800000000, -0.0003104100000000 ] - [ 0.0000000000000000, -0.0000667000000000, -0.0001149000000000 ] - [ -0.0000481200000000, -0.0002247800000000, -0.0003104100000000 ] - [ 0.0000481200000000, 0.0002247800000000, -0.0003104100000000 ] - [ 0.0000000000000000, 0.0000667000000000, -0.0001149000000000 ] - [ -0.0000481200000000, 0.0002247800000000, -0.0003104100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0211095400000000 ] - [ -0.0008457100000000, 0.0000000000000000, 0.0001497100000000 ] - [ 0.0008457100000000, 0.0000000000000000, 0.0001497100000000 ] - [ 0.0000000000000000, -0.0009831000000000, 0.0001113000000000 ] - [ -0.0000567000000000, -0.0000993800000000, 0.0001226300000000 ] - [ 0.0000567000000000, -0.0000993800000000, 0.0001226300000000 ] - [ 0.0000000000000000, 0.0009831000000000, 0.0001113000000000 ] - [ -0.0000567000000000, 0.0000993800000000, 0.0001226300000000 ] - [ 0.0000567000000000, 0.0000993800000000, 0.0001226300000000 ] - [ 0.0000000000000000, -0.0056929700000000, 0.0046978000000000 ] - [ 0.0003522000000000, 0.0001277600000000, 0.0002501600000000 ] - [ -0.0003522000000000, 0.0001277600000000, 0.0002501600000000 ] - [ 0.0000000000000000, 0.0056929700000000, 0.0046978000000000 ] - [ 0.0003522000000000, -0.0001277600000000, 0.0002501600000000 ] - [ -0.0003522000000000, -0.0001277600000000, 0.0002501600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000501900000000 ] - [ 0.0000953600000000, 0.0000000000000000, 0.0001413000000000 ] - [ -0.0000953600000000, 0.0000000000000000, 0.0001413000000000 ] - [ 0.0015860400000000, 0.0000000000000000, 0.0011080500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000797500000000 ] - [ -0.0015860400000000, 0.0000000000000000, 0.0011080500000000 ] - [ 0.0001101900000000, 0.0000888600000000, 0.0000400400000000 ] - [ 0.0000000000000000, 0.0000223200000000, 0.0000172500000000 ] - [ -0.0001101900000000, 0.0000888600000000, 0.0000400400000000 ] - [ 0.0001101900000000, -0.0000888600000000, 0.0000400400000000 ] - [ 0.0000000000000000, -0.0000223200000000, 0.0000172500000000 ] - [ -0.0001101900000000, -0.0000888600000000, 0.0000400400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028171000000000 ] - [ 0.0001818300000000, 0.0000000000000000, 0.0000500200000000 ] - [ -0.0001818300000000, 0.0000000000000000, 0.0000500200000000 ] - [ 0.0000000000000000, 0.0003723000000000, 0.0000157200000000 ] - [ -0.0000165000000000, 0.0000308000000000, -0.0000203100000000 ] - [ 0.0000165000000000, 0.0000308000000000, -0.0000203100000000 ] - [ 0.0000000000000000, -0.0003723000000000, 0.0000157200000000 ] - [ -0.0000165000000000, -0.0000308000000000, -0.0000203100000000 ] - [ 0.0000165000000000, -0.0000308000000000, -0.0000203100000000 ] - [ 0.0000000000000000, 0.0009906800000000, -0.0005838300000000 ] - [ -0.0000900800000000, 0.0000705600000000, -0.0000460800000000 ] - [ 0.0000900800000000, 0.0000705600000000, -0.0000460800000000 ] - [ 0.0000000000000000, -0.0009906800000000, -0.0005838300000000 ] - [ -0.0000900800000000, -0.0000705600000000, -0.0000460800000000 ] - [ 0.0000900800000000, -0.0000705600000000, -0.0000460800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001025400000000 ] - [ -0.0000477300000000, 0.0000000000000000, -0.0000211200000000 ] - [ 0.0000477300000000, 0.0000000000000000, -0.0000211200000000 ] - [ -0.0001683000000000, 0.0002212600000000, 0.0001030700000000 ] - [ 0.0000000000000000, 0.0001178100000000, 0.0000226000000000 ] - [ 0.0001683000000000, 0.0002212600000000, 0.0001030700000000 ] - [ -0.0001683000000000, -0.0002212600000000, 0.0001030700000000 ] - [ 0.0000000000000000, -0.0001178100000000, 0.0000226000000000 ] - [ 0.0001683000000000, -0.0002212600000000, 0.0001030700000000 ] - [ -0.0000234400000000, 0.0000000000000000, 0.0000317300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000158700000000 ] - [ 0.0000234400000000, 0.0000000000000000, 0.0000317300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2258737700000000 ] - [ -0.0000466400000000, 0.0000000000000000, -0.1706947300000000 ] - [ 0.0000466400000000, 0.0000000000000000, -0.1706947300000000 ] - [ 0.0000000000000000, -0.0008559600000000, -0.1707258300000000 ] - [ -0.0000921900000000, -0.0000264400000000, -0.1706438200000000 ] - [ 0.0000921900000000, -0.0000264400000000, -0.1706438200000000 ] - [ 0.0000000000000000, 0.0008559600000000, -0.1707258300000000 ] - [ -0.0000921900000000, 0.0000264400000000, -0.1706438200000000 ] - [ 0.0000921900000000, 0.0000264400000000, -0.1706438200000000 ] - [ -0.0017597100000000, 0.0000000000000000, 0.1749337500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1707808500000000 ] - [ 0.0017597100000000, 0.0000000000000000, 0.1749337500000000 ] - [ -0.0001080700000000, -0.0001371900000000, 0.1706832800000000 ] - [ 0.0000000000000000, -0.0000191800000000, 0.1706215600000000 ] - [ 0.0001080700000000, -0.0001371900000000, 0.1706832800000000 ] - [ -0.0001080700000000, 0.0001371900000000, 0.1706832800000000 ] - [ 0.0000000000000000, 0.0000191800000000, 0.1706215600000000 ] - [ 0.0001080700000000, 0.0001371900000000, 0.1706832800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1844641100000000 ] - [ 0.0003378400000000, 0.0000000000000000, 0.1707206400000000 ] - [ -0.0003378400000000, 0.0000000000000000, 0.1707206400000000 ] - [ 0.0000000000000000, -0.0000811900000000, 0.1707232800000000 ] - [ 0.0000119100000000, 0.0000432100000000, 0.1705664300000000 ] - [ -0.0000119100000000, 0.0000432100000000, 0.1705664300000000 ] - [ 0.0000000000000000, 0.0000811900000000, 0.1707232800000000 ] - [ 0.0000119100000000, -0.0000432100000000, 0.1705664300000000 ] - [ -0.0000119100000000, -0.0000432100000000, 0.1705664300000000 ] - [ 0.0000000000000000, 0.0027971500000000, -0.1686941900000000 ] - [ -0.0002179800000000, 0.0000183800000000, -0.1705515700000000 ] - [ 0.0002179800000000, 0.0000183800000000, -0.1705515700000000 ] - [ 0.0000000000000000, -0.0027971500000000, -0.1686941900000000 ] - [ -0.0002179800000000, -0.0000183800000000, -0.1705515700000000 ] - [ 0.0002179800000000, -0.0000183800000000, -0.1705515700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1705018600000000 ] - [ -0.0000469500000000, 0.0000000000000000, -0.1705391700000000 ] - [ 0.0000469500000000, 0.0000000000000000, -0.1705391700000000 ] - [ 0.0002847700000000, -0.0003729000000000, -0.1700118000000000 ] - [ 0.0000000000000000, -0.0001129700000000, -0.1704076600000000 ] - [ -0.0002847700000000, -0.0003729000000000, -0.1700118000000000 ] - [ 0.0002847700000000, 0.0003729000000000, -0.1700118000000000 ] - [ 0.0000000000000000, 0.0001129700000000, -0.1704076600000000 ] - [ -0.0002847700000000, 0.0003729000000000, -0.1700118000000000 ] - [ -0.0000058200000000, 0.0000000000000000, -0.1703684200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1704789700000000 ] - [ 0.0000058200000000, 0.0000000000000000, -0.1703684200000000 ] - [ 0.0000000000000000, -0.0021717100000000, 0.1717438600000000 ] - [ 0.0000831300000000, -0.0001641900000000, 0.1704056200000000 ] - [ -0.0000831300000000, -0.0001641900000000, 0.1704056200000000 ] - [ 0.0000000000000000, 0.0021717100000000, 0.1717438600000000 ] - [ 0.0000831300000000, 0.0001641900000000, 0.1704056200000000 ] - [ -0.0000831300000000, 0.0001641900000000, 0.1704056200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1706883500000000 ] - [ 0.0000201400000000, 0.0000000000000000, 0.1704609300000000 ] - [ -0.0000201400000000, 0.0000000000000000, 0.1704609300000000 ] - [ -0.0006208900000000, 0.0003951400000000, 0.1703916700000000 ] - [ 0.0000000000000000, -0.0000147900000000, 0.1706014900000000 ] - [ 0.0006208900000000, 0.0003951400000000, 0.1703916700000000 ] - [ -0.0006208900000000, -0.0003951400000000, 0.1703916700000000 ] - [ 0.0000000000000000, 0.0000147900000000, 0.1706014900000000 ] - [ 0.0006208900000000, -0.0003951400000000, 0.1703916700000000 ] - [ -0.0001758400000000, 0.0000000000000000, 0.1706000800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1705533200000000 ] - [ 0.0001758400000000, 0.0000000000000000, 0.1706000800000000 ] - [ 0.0019086100000000, 0.0000000000000000, -0.1686780000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1705045100000000 ] - [ -0.0019086100000000, 0.0000000000000000, -0.1686780000000000 ] - [ 0.0001004500000000, 0.0000839900000000, -0.1705526600000000 ] - [ 0.0000000000000000, 0.0000268800000000, -0.1705414200000000 ] - [ -0.0001004500000000, 0.0000839900000000, -0.1705526600000000 ] - [ 0.0001004500000000, -0.0000839900000000, -0.1705526600000000 ] - [ 0.0000000000000000, -0.0000268800000000, -0.1705414200000000 ] - [ -0.0001004500000000, -0.0000839900000000, -0.1705526600000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0009953500000000, 0.0005035800000000, 0.0007698200000000 ] - [ 0.0000000000000000, -0.0001031800000000, 0.0002265700000000 ] - [ 0.0009953500000000, 0.0005035800000000, 0.0007698200000000 ] - [ -0.0009953500000000, -0.0005035800000000, 0.0007698200000000 ] - [ 0.0000000000000000, 0.0001031800000000, 0.0002265700000000 ] - [ 0.0009953500000000, -0.0005035800000000, 0.0007698200000000 ] - [ -0.0000649200000000, 0.0000000000000000, 0.0002270200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001085100000000 ] - [ 0.0000649200000000, 0.0000000000000000, 0.0002270200000000 ] - [ 0.0040033600000000, 0.0000000000000000, 0.0026498800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004774500000000 ] - [ -0.0040033600000000, 0.0000000000000000, 0.0026498800000000 ] - [ -0.0000458600000000, 0.0002237700000000, 0.0003102400000000 ] - [ 0.0000000000000000, 0.0000665900000000, 0.0001141500000000 ] - [ 0.0000458600000000, 0.0002237700000000, 0.0003102400000000 ] - [ -0.0000458600000000, -0.0002237700000000, 0.0003102400000000 ] - [ 0.0000000000000000, -0.0000665900000000, 0.0001141500000000 ] - [ 0.0000458600000000, -0.0002237700000000, 0.0003102400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0197616300000000 ] - [ 0.0008391500000000, 0.0000000000000000, -0.0001441600000000 ] - [ -0.0008391500000000, 0.0000000000000000, -0.0001441600000000 ] - [ 0.0000000000000000, 0.0009827600000000, -0.0001174800000000 ] - [ 0.0000545600000000, 0.0001000600000000, -0.0001207000000000 ] - [ -0.0000545600000000, 0.0001000600000000, -0.0001207000000000 ] - [ 0.0000000000000000, -0.0009827600000000, -0.0001174800000000 ] - [ 0.0000545600000000, -0.0001000600000000, -0.0001207000000000 ] - [ -0.0000545600000000, -0.0001000600000000, -0.0001207000000000 ] - [ 0.0000000000000000, 0.0057375800000000, -0.0047212000000000 ] - [ -0.0003462000000000, -0.0001264900000000, -0.0002493200000000 ] - [ 0.0003462000000000, -0.0001264900000000, -0.0002493200000000 ] - [ 0.0000000000000000, -0.0057375800000000, -0.0047212000000000 ] - [ -0.0003462000000000, 0.0001264900000000, -0.0002493200000000 ] - [ 0.0003462000000000, 0.0001264900000000, -0.0002493200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000511500000000 ] - [ -0.0000948800000000, 0.0000000000000000, -0.0001411800000000 ] - [ 0.0000948800000000, 0.0000000000000000, -0.0001411800000000 ] - [ -0.0014780200000000, 0.0000000000000000, -0.0011103200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000792900000000 ] - [ 0.0014780200000000, 0.0000000000000000, -0.0011103200000000 ] - [ -0.0000173900000000, -0.0000408700000000, -0.0000395500000000 ] - [ 0.0000000000000000, 0.0000248100000000, -0.0000174300000000 ] - [ 0.0000173900000000, -0.0000408700000000, -0.0000395500000000 ] - [ -0.0000173900000000, 0.0000408700000000, -0.0000395500000000 ] - [ 0.0000000000000000, -0.0000248100000000, -0.0000174300000000 ] - [ 0.0000173900000000, 0.0000408700000000, -0.0000395500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025316600000000 ] - [ -0.0002768100000000, 0.0000000000000000, -0.0000517400000000 ] - [ 0.0002768100000000, 0.0000000000000000, -0.0000517400000000 ] - [ 0.0000000000000000, -0.0003275700000000, -0.0000157300000000 ] - [ -0.0000774800000000, 0.0000157100000000, 0.0000195100000000 ] - [ 0.0000774800000000, 0.0000157100000000, 0.0000195100000000 ] - [ 0.0000000000000000, 0.0003275700000000, -0.0000157300000000 ] - [ -0.0000774800000000, -0.0000157100000000, 0.0000195100000000 ] - [ 0.0000774800000000, -0.0000157100000000, 0.0000195100000000 ] - [ 0.0000000000000000, -0.0009369000000000, 0.0005874200000000 ] - [ -0.0000043700000000, -0.0000226500000000, 0.0000461600000000 ] - [ 0.0000043700000000, -0.0000226500000000, 0.0000461600000000 ] - [ 0.0000000000000000, 0.0009369000000000, 0.0005874200000000 ] - [ -0.0000043700000000, 0.0000226500000000, 0.0000461600000000 ] - [ 0.0000043700000000, 0.0000226500000000, 0.0000461600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001012600000000 ] - [ -0.0000454100000000, 0.0000000000000000, 0.0000210000000000 ] - [ 0.0000454100000000, 0.0000000000000000, 0.0000210000000000 ] - [ 0.0002626900000000, -0.0001740200000000, -0.0001006200000000 ] - [ 0.0000000000000000, -0.0000695500000000, -0.0000219900000000 ] - [ -0.0002626900000000, -0.0001740200000000, -0.0001006200000000 ] - [ 0.0002626900000000, 0.0001740200000000, -0.0001006200000000 ] - [ 0.0000000000000000, 0.0000695500000000, -0.0000219900000000 ] - [ -0.0002626900000000, 0.0001740200000000, -0.0001006200000000 ] - [ 0.0001160200000000, 0.0000000000000000, -0.0000313600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000149600000000 ] - [ -0.0001160200000000, 0.0000000000000000, -0.0000313600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1164064700000000 ] - [ 0.0000536100000000, 0.0000000000000000, -0.1703885500000000 ] - [ -0.0000536100000000, 0.0000000000000000, -0.1703885500000000 ] - [ 0.0000000000000000, 0.0008212300000000, -0.1703530100000000 ] - [ 0.0000973400000000, 0.0000218600000000, -0.1704395300000000 ] - [ -0.0000973400000000, 0.0000218600000000, -0.1704395300000000 ] - [ 0.0000000000000000, -0.0008212300000000, -0.1703530100000000 ] - [ 0.0000973400000000, -0.0000218600000000, -0.1704395300000000 ] - [ -0.0000973400000000, -0.0000218600000000, -0.1704395300000000 ] - [ 0.0017757400000000, 0.0000000000000000, 0.1661439100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1703075400000000 ] - [ -0.0017757400000000, 0.0000000000000000, 0.1661439100000000 ] - [ 0.0001004400000000, 0.0001341300000000, 0.1704013700000000 ] - [ 0.0000000000000000, 0.0000167800000000, 0.1704650100000000 ] - [ -0.0001004400000000, 0.0001341300000000, 0.1704013700000000 ] - [ 0.0001004400000000, -0.0001341300000000, 0.1704013700000000 ] - [ 0.0000000000000000, -0.0000167800000000, 0.1704650100000000 ] - [ -0.0001004400000000, -0.0001341300000000, 0.1704013700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1567909800000000 ] - [ -0.0003256000000000, 0.0000000000000000, 0.1703564700000000 ] - [ 0.0003256000000000, 0.0000000000000000, 0.1703564700000000 ] - [ 0.0000000000000000, 0.0000794200000000, 0.1703600200000000 ] - [ -0.0000046700000000, -0.0000481900000000, 0.1705161200000000 ] - [ 0.0000046700000000, -0.0000481900000000, 0.1705161200000000 ] - [ 0.0000000000000000, -0.0000794200000000, 0.1703600200000000 ] - [ -0.0000046700000000, 0.0000481900000000, 0.1705161200000000 ] - [ 0.0000046700000000, 0.0000481900000000, 0.1705161200000000 ] - [ 0.0000000000000000, -0.0028297100000000, -0.1724087900000000 ] - [ 0.0002261300000000, -0.0000250800000000, -0.1705316800000000 ] - [ -0.0002261300000000, -0.0000250800000000, -0.1705316800000000 ] - [ 0.0000000000000000, 0.0028297100000000, -0.1724087900000000 ] - [ 0.0002261300000000, 0.0000250800000000, -0.1705316800000000 ] - [ -0.0002261300000000, 0.0000250800000000, -0.1705316800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1705776200000000 ] - [ 0.0000550400000000, 0.0000000000000000, -0.1705423000000000 ] - [ -0.0000550400000000, 0.0000000000000000, -0.1705423000000000 ] - [ -0.0002909000000000, 0.0003657600000000, -0.1710689000000000 ] - [ 0.0000000000000000, 0.0001085200000000, -0.1706774500000000 ] - [ 0.0002909000000000, 0.0003657600000000, -0.1710689000000000 ] - [ -0.0002909000000000, -0.0003657600000000, -0.1710689000000000 ] - [ 0.0000000000000000, -0.0001085200000000, -0.1706774500000000 ] - [ 0.0002909000000000, -0.0003657600000000, -0.1710689000000000 ] - [ -0.0000052900000000, 0.0000000000000000, -0.1707117500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1706075700000000 ] - [ 0.0000052900000000, 0.0000000000000000, -0.1707117500000000 ] - [ 0.0000000000000000, 0.0021553600000000, 0.1693587400000000 ] - [ -0.0000751900000000, 0.0001587200000000, 0.1706755500000000 ] - [ 0.0000751900000000, 0.0001587200000000, 0.1706755500000000 ] - [ 0.0000000000000000, -0.0021553600000000, 0.1693587400000000 ] - [ -0.0000751900000000, -0.0001587200000000, 0.1706755500000000 ] - [ 0.0000751900000000, -0.0001587200000000, 0.1706755500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1703966400000000 ] - [ -0.0000089700000000, 0.0000000000000000, 0.1706211100000000 ] - [ 0.0000089700000000, 0.0000000000000000, 0.1706211100000000 ] - [ 0.0006009700000000, -0.0003875000000000, 0.1706977000000000 ] - [ 0.0000000000000000, 0.0000119900000000, 0.1704852000000000 ] - [ -0.0006009700000000, -0.0003875000000000, 0.1706977000000000 ] - [ 0.0006009700000000, 0.0003875000000000, 0.1706977000000000 ] - [ 0.0000000000000000, -0.0000119900000000, 0.1704852000000000 ] - [ -0.0006009700000000, 0.0003875000000000, 0.1706977000000000 ] - [ 0.0001588300000000, 0.0000000000000000, 0.1704824500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1705328400000000 ] - [ -0.0001588300000000, 0.0000000000000000, 0.1704824500000000 ] - [ -0.0019036000000000, 0.0000000000000000, -0.1723936300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1705807500000000 ] - [ 0.0019036000000000, 0.0000000000000000, -0.1723936300000000 ] - [ -0.0001065800000000, -0.0000894600000000, -0.1705317500000000 ] - [ 0.0000000000000000, -0.0000290900000000, -0.1705434700000000 ] - [ 0.0001065800000000, -0.0000894600000000, -0.1705317500000000 ] - [ -0.0001065800000000, 0.0000894600000000, -0.1705317500000000 ] - [ 0.0000000000000000, 0.0000290900000000, -0.1705434700000000 ] - [ 0.0001065800000000, 0.0000894600000000, -0.1705317500000000 ]