# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/0ffc7aff-4e87-4413-86f7-e6f818215c6a/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 SmCuSeO / P4/nmm (129) / materials id 9194](https://mdr.nims.go.jp/datasets/c66daaee-3744-4c6e-809b-5584ea53e9c9) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P4/nmm" number: 129 Hall_symbol: "P 4ab 2ab -1ab"supercell_matrix:- [ 3, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 3.912804560000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 3.912804560000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 8.557778369999999 ] # c points: - symbol: O # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 - symbol: Cu # 3 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 63.546000 - symbol: Cu # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 63.546000 - symbol: Se # 5 coordinates: [ 0.000000000000000, 0.500000000000000, 0.177949120000000 ] mass: 78.960000 - symbol: Se # 6 coordinates: [ 0.500000000000000, 0.000000000000000, 0.822050880000000 ] mass: 78.960000 - symbol: Sm # 7 coordinates: [ 0.000000000000000, 0.500000000000000, 0.636806980000000 ] mass: 150.360000 - symbol: Sm # 8 coordinates: [ 0.500000000000000, 0.000000000000000, 0.363193020000000 ] mass: 150.360000 reciprocal_lattice: # without 2pi - [ 0.255571159935471, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.255571159935471, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.116852757428912 ] # c*unit_cell: lattice: - [ 3.912804560000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 3.912804560000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 8.557778369999999 ] # c points: - symbol: O # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 2 - symbol: Cu # 3 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 63.546000 reduced_to: 3 - symbol: Cu # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 63.546000 reduced_to: 4 - symbol: Se # 5 coordinates: [ 0.000000000000000, 0.500000000000000, 0.177949120000000 ] mass: 78.960000 reduced_to: 5 - symbol: Se # 6 coordinates: [ 0.500000000000000, 0.000000000000000, 0.822050880000000 ] mass: 78.960000 reduced_to: 6 - symbol: Sm # 7 coordinates: [ 0.000000000000000, 0.500000000000000, 0.636806980000000 ] mass: 150.360000 reduced_to: 7 - symbol: Sm # 8 coordinates: [ 0.500000000000000, 0.000000000000000, 0.363193020000000 ] mass: 150.360000 reduced_to: 8supercell: lattice: - [ 11.738413680000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 11.738413680000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 17.115556739999999 ] # c points: - symbol: O # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.333333333333333, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.666666666666667, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 4 coordinates: [ 0.000000000000000, 0.333333333333333, 0.250000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 5 coordinates: [ 0.333333333333333, 0.333333333333333, 0.250000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 6 coordinates: [ 0.666666666666667, 0.333333333333333, 0.250000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 7 coordinates: [ 0.000000000000000, 0.666666666666667, 0.250000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 8 coordinates: [ 0.333333333333333, 0.666666666666667, 0.250000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 9 coordinates: [ 0.666666666666667, 0.666666666666667, 0.250000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 11 coordinates: [ 0.333333333333333, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 12 coordinates: [ 0.666666666666667, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 13 coordinates: [ 0.000000000000000, 0.333333333333333, 0.750000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 14 coordinates: [ 0.333333333333333, 0.333333333333333, 0.750000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 15 coordinates: [ 0.666666666666667, 0.333333333333333, 0.750000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 16 coordinates: [ 0.000000000000000, 0.666666666666667, 0.750000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 17 coordinates: [ 0.333333333333333, 0.666666666666667, 0.750000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 18 coordinates: [ 0.666666666666667, 0.666666666666667, 0.750000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 19 coordinates: [ 0.166666666666667, 0.166666666666667, 0.250000000000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.500000000000000, 0.166666666666667, 0.250000000000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 21 coordinates: [ 0.833333333333333, 0.166666666666667, 0.250000000000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 22 coordinates: [ 0.166666666666667, 0.500000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 23 coordinates: [ 0.500000000000000, 0.500000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 24 coordinates: [ 0.833333333333333, 0.500000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 25 coordinates: [ 0.166666666666667, 0.833333333333333, 0.250000000000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 26 coordinates: [ 0.500000000000000, 0.833333333333333, 0.250000000000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 27 coordinates: [ 0.833333333333333, 0.833333333333333, 0.250000000000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 28 coordinates: [ 0.166666666666667, 0.166666666666667, 0.750000000000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 29 coordinates: [ 0.500000000000000, 0.166666666666667, 0.750000000000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 30 coordinates: [ 0.833333333333333, 0.166666666666667, 0.750000000000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 31 coordinates: [ 0.166666666666667, 0.500000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 32 coordinates: [ 0.500000000000000, 0.500000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 33 coordinates: [ 0.833333333333333, 0.500000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 34 coordinates: [ 0.166666666666667, 0.833333333333333, 0.750000000000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 35 coordinates: [ 0.500000000000000, 0.833333333333333, 0.750000000000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 36 coordinates: [ 0.833333333333333, 0.833333333333333, 0.750000000000000 ] mass: 15.999400 reduced_to: 19 - symbol: Cu # 37 coordinates: [ 0.166666666666667, 0.166666666666667, 0.000000000000000 ] mass: 63.546000 reduced_to: 37 - symbol: Cu # 38 coordinates: [ 0.500000000000000, 0.166666666666667, 0.000000000000000 ] mass: 63.546000 reduced_to: 37 - symbol: Cu # 39 coordinates: [ 0.833333333333333, 0.166666666666667, 0.000000000000000 ] mass: 63.546000 reduced_to: 37 - symbol: Cu # 40 coordinates: [ 0.166666666666667, 0.500000000000000, 0.000000000000000 ] mass: 63.546000 reduced_to: 37 - symbol: Cu # 41 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 63.546000 reduced_to: 37 - symbol: Cu # 42 coordinates: [ 0.833333333333333, 0.500000000000000, 0.000000000000000 ] mass: 63.546000 reduced_to: 37 - symbol: Cu # 43 coordinates: [ 0.166666666666667, 0.833333333333333, 0.000000000000000 ] mass: 63.546000 reduced_to: 37 - symbol: Cu # 44 coordinates: [ 0.500000000000000, 0.833333333333333, 0.000000000000000 ] mass: 63.546000 reduced_to: 37 - symbol: Cu # 45 coordinates: [ 0.833333333333333, 0.833333333333333, 0.000000000000000 ] mass: 63.546000 reduced_to: 37 - symbol: Cu # 46 coordinates: [ 0.166666666666667, 0.166666666666667, 0.500000000000000 ] mass: 63.546000 reduced_to: 37 - symbol: Cu # 47 coordinates: [ 0.500000000000000, 0.166666666666667, 0.500000000000000 ] mass: 63.546000 reduced_to: 37 - symbol: Cu # 48 coordinates: [ 0.833333333333333, 0.166666666666667, 0.500000000000000 ] mass: 63.546000 reduced_to: 37 - symbol: Cu # 49 coordinates: [ 0.166666666666667, 0.500000000000000, 0.500000000000000 ] mass: 63.546000 reduced_to: 37 - symbol: Cu # 50 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 63.546000 reduced_to: 37 - symbol: Cu # 51 coordinates: [ 0.833333333333333, 0.500000000000000, 0.500000000000000 ] mass: 63.546000 reduced_to: 37 - symbol: Cu # 52 coordinates: [ 0.166666666666667, 0.833333333333333, 0.500000000000000 ] mass: 63.546000 reduced_to: 37 - symbol: Cu # 53 coordinates: [ 0.500000000000000, 0.833333333333333, 0.500000000000000 ] mass: 63.546000 reduced_to: 37 - symbol: Cu # 54 coordinates: [ 0.833333333333333, 0.833333333333333, 0.500000000000000 ] mass: 63.546000 reduced_to: 37 - symbol: Cu # 55 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 63.546000 reduced_to: 55 - symbol: Cu # 56 coordinates: [ 0.333333333333333, 0.000000000000000, 0.000000000000000 ] mass: 63.546000 reduced_to: 55 - symbol: Cu # 57 coordinates: [ 0.666666666666667, 0.000000000000000, 0.000000000000000 ] mass: 63.546000 reduced_to: 55 - symbol: Cu # 58 coordinates: [ 0.000000000000000, 0.333333333333333, 0.000000000000000 ] mass: 63.546000 reduced_to: 55 - symbol: Cu # 59 coordinates: [ 0.333333333333333, 0.333333333333333, 0.000000000000000 ] mass: 63.546000 reduced_to: 55 - symbol: Cu # 60 coordinates: [ 0.666666666666667, 0.333333333333333, 0.000000000000000 ] mass: 63.546000 reduced_to: 55 - symbol: Cu # 61 coordinates: [ 0.000000000000000, 0.666666666666667, 0.000000000000000 ] mass: 63.546000 reduced_to: 55 - symbol: Cu # 62 coordinates: [ 0.333333333333333, 0.666666666666667, 0.000000000000000 ] mass: 63.546000 reduced_to: 55 - symbol: Cu # 63 coordinates: [ 0.666666666666667, 0.666666666666667, 0.000000000000000 ] mass: 63.546000 reduced_to: 55 - symbol: Cu # 64 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 63.546000 reduced_to: 55 - symbol: Cu # 65 coordinates: [ 0.333333333333333, 0.000000000000000, 0.500000000000000 ] mass: 63.546000 reduced_to: 55 - symbol: Cu # 66 coordinates: [ 0.666666666666667, 0.000000000000000, 0.500000000000000 ] mass: 63.546000 reduced_to: 55 - symbol: Cu # 67 coordinates: [ 0.000000000000000, 0.333333333333333, 0.500000000000000 ] mass: 63.546000 reduced_to: 55 - symbol: Cu # 68 coordinates: [ 0.333333333333333, 0.333333333333333, 0.500000000000000 ] mass: 63.546000 reduced_to: 55 - symbol: Cu # 69 coordinates: [ 0.666666666666667, 0.333333333333333, 0.500000000000000 ] mass: 63.546000 reduced_to: 55 - symbol: Cu # 70 coordinates: [ 0.000000000000000, 0.666666666666667, 0.500000000000000 ] mass: 63.546000 reduced_to: 55 - symbol: Cu # 71 coordinates: [ 0.333333333333333, 0.666666666666667, 0.500000000000000 ] mass: 63.546000 reduced_to: 55 - symbol: Cu # 72 coordinates: [ 0.666666666666667, 0.666666666666667, 0.500000000000000 ] mass: 63.546000 reduced_to: 55 - symbol: Se # 73 coordinates: [ 0.000000000000000, 0.166666666666667, 0.088974560000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 74 coordinates: [ 0.333333333333333, 0.166666666666667, 0.088974560000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 75 coordinates: [ 0.666666666666667, 0.166666666666667, 0.088974560000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 76 coordinates: [ 0.000000000000000, 0.500000000000000, 0.088974560000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 77 coordinates: [ 0.333333333333333, 0.500000000000000, 0.088974560000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 78 coordinates: [ 0.666666666666667, 0.500000000000000, 0.088974560000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 79 coordinates: [ 0.000000000000000, 0.833333333333333, 0.088974560000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 80 coordinates: [ 0.333333333333333, 0.833333333333333, 0.088974560000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 81 coordinates: [ 0.666666666666667, 0.833333333333333, 0.088974560000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 82 coordinates: [ 0.000000000000000, 0.166666666666667, 0.588974560000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 83 coordinates: [ 0.333333333333333, 0.166666666666667, 0.588974560000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 84 coordinates: [ 0.666666666666667, 0.166666666666667, 0.588974560000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 85 coordinates: [ 0.000000000000000, 0.500000000000000, 0.588974560000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 86 coordinates: [ 0.333333333333333, 0.500000000000000, 0.588974560000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 87 coordinates: [ 0.666666666666667, 0.500000000000000, 0.588974560000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 88 coordinates: [ 0.000000000000000, 0.833333333333333, 0.588974560000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 89 coordinates: [ 0.333333333333333, 0.833333333333333, 0.588974560000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 90 coordinates: [ 0.666666666666667, 0.833333333333333, 0.588974560000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 91 coordinates: [ 0.166666666666667, 0.000000000000000, 0.411025440000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 92 coordinates: [ 0.500000000000000, 0.000000000000000, 0.411025440000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 93 coordinates: [ 0.833333333333333, 0.000000000000000, 0.411025440000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 94 coordinates: [ 0.166666666666667, 0.333333333333333, 0.411025440000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 95 coordinates: [ 0.500000000000000, 0.333333333333333, 0.411025440000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 96 coordinates: [ 0.833333333333333, 0.333333333333333, 0.411025440000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 97 coordinates: [ 0.166666666666667, 0.666666666666667, 0.411025440000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 98 coordinates: [ 0.500000000000000, 0.666666666666667, 0.411025440000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 99 coordinates: [ 0.833333333333333, 0.666666666666667, 0.411025440000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 100 coordinates: [ 0.166666666666667, 0.000000000000000, 0.911025440000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 101 coordinates: [ 0.500000000000000, 0.000000000000000, 0.911025440000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 102 coordinates: [ 0.833333333333333, 0.000000000000000, 0.911025440000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 103 coordinates: [ 0.166666666666667, 0.333333333333333, 0.911025440000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 104 coordinates: [ 0.500000000000000, 0.333333333333333, 0.911025440000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 105 coordinates: [ 0.833333333333333, 0.333333333333333, 0.911025440000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 106 coordinates: [ 0.166666666666667, 0.666666666666667, 0.911025440000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 107 coordinates: [ 0.500000000000000, 0.666666666666667, 0.911025440000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 108 coordinates: [ 0.833333333333333, 0.666666666666667, 0.911025440000000 ] mass: 78.960000 reduced_to: 91 - symbol: Sm # 109 coordinates: [ 0.000000000000000, 0.166666666666667, 0.318403490000000 ] mass: 150.360000 reduced_to: 109 - symbol: Sm # 110 coordinates: [ 0.333333333333333, 0.166666666666667, 0.318403490000000 ] mass: 150.360000 reduced_to: 109 - symbol: Sm # 111 coordinates: [ 0.666666666666667, 0.166666666666667, 0.318403490000000 ] mass: 150.360000 reduced_to: 109 - symbol: Sm # 112 coordinates: [ 0.000000000000000, 0.500000000000000, 0.318403490000000 ] mass: 150.360000 reduced_to: 109 - symbol: Sm # 113 coordinates: [ 0.333333333333333, 0.500000000000000, 0.318403490000000 ] mass: 150.360000 reduced_to: 109 - symbol: Sm # 114 coordinates: [ 0.666666666666667, 0.500000000000000, 0.318403490000000 ] mass: 150.360000 reduced_to: 109 - symbol: Sm # 115 coordinates: [ 0.000000000000000, 0.833333333333333, 0.318403490000000 ] mass: 150.360000 reduced_to: 109 - symbol: Sm # 116 coordinates: [ 0.333333333333333, 0.833333333333333, 0.318403490000000 ] mass: 150.360000 reduced_to: 109 - symbol: Sm # 117 coordinates: [ 0.666666666666667, 0.833333333333333, 0.318403490000000 ] mass: 150.360000 reduced_to: 109 - symbol: Sm # 118 coordinates: [ 0.000000000000000, 0.166666666666667, 0.818403490000000 ] mass: 150.360000 reduced_to: 109 - symbol: Sm # 119 coordinates: [ 0.333333333333333, 0.166666666666667, 0.818403490000000 ] mass: 150.360000 reduced_to: 109 - symbol: Sm # 120 coordinates: [ 0.666666666666667, 0.166666666666667, 0.818403490000000 ] mass: 150.360000 reduced_to: 109 - symbol: Sm # 121 coordinates: [ 0.000000000000000, 0.500000000000000, 0.818403490000000 ] mass: 150.360000 reduced_to: 109 - symbol: Sm # 122 coordinates: [ 0.333333333333333, 0.500000000000000, 0.818403490000000 ] mass: 150.360000 reduced_to: 109 - symbol: Sm # 123 coordinates: [ 0.666666666666667, 0.500000000000000, 0.818403490000000 ] mass: 150.360000 reduced_to: 109 - symbol: Sm # 124 coordinates: [ 0.000000000000000, 0.833333333333333, 0.818403490000000 ] mass: 150.360000 reduced_to: 109 - symbol: Sm # 125 coordinates: [ 0.333333333333333, 0.833333333333333, 0.818403490000000 ] mass: 150.360000 reduced_to: 109 - symbol: Sm # 126 coordinates: [ 0.666666666666667, 0.833333333333333, 0.818403490000000 ] mass: 150.360000 reduced_to: 109 - symbol: Sm # 127 coordinates: [ 0.166666666666667, 0.000000000000000, 0.181596510000000 ] mass: 150.360000 reduced_to: 127 - symbol: Sm # 128 coordinates: [ 0.500000000000000, 0.000000000000000, 0.181596510000000 ] mass: 150.360000 reduced_to: 127 - symbol: Sm # 129 coordinates: [ 0.833333333333333, 0.000000000000000, 0.181596510000000 ] mass: 150.360000 reduced_to: 127 - symbol: Sm # 130 coordinates: [ 0.166666666666667, 0.333333333333333, 0.181596510000000 ] mass: 150.360000 reduced_to: 127 - symbol: Sm # 131 coordinates: [ 0.500000000000000, 0.333333333333333, 0.181596510000000 ] mass: 150.360000 reduced_to: 127 - symbol: Sm # 132 coordinates: [ 0.833333333333333, 0.333333333333333, 0.181596510000000 ] mass: 150.360000 reduced_to: 127 - symbol: Sm # 133 coordinates: [ 0.166666666666667, 0.666666666666667, 0.181596510000000 ] mass: 150.360000 reduced_to: 127 - symbol: Sm # 134 coordinates: [ 0.500000000000000, 0.666666666666667, 0.181596510000000 ] mass: 150.360000 reduced_to: 127 - symbol: Sm # 135 coordinates: [ 0.833333333333333, 0.666666666666667, 0.181596510000000 ] mass: 150.360000 reduced_to: 127 - symbol: Sm # 136 coordinates: [ 0.166666666666667, 0.000000000000000, 0.681596510000000 ] mass: 150.360000 reduced_to: 127 - symbol: Sm # 137 coordinates: [ 0.500000000000000, 0.000000000000000, 0.681596510000000 ] mass: 150.360000 reduced_to: 127 - symbol: Sm # 138 coordinates: [ 0.833333333333333, 0.000000000000000, 0.681596510000000 ] mass: 150.360000 reduced_to: 127 - symbol: Sm # 139 coordinates: [ 0.166666666666667, 0.333333333333333, 0.681596510000000 ] mass: 150.360000 reduced_to: 127 - symbol: Sm # 140 coordinates: [ 0.500000000000000, 0.333333333333333, 0.681596510000000 ] mass: 150.360000 reduced_to: 127 - symbol: Sm # 141 coordinates: [ 0.833333333333333, 0.333333333333333, 0.681596510000000 ] mass: 150.360000 reduced_to: 127 - symbol: Sm # 142 coordinates: [ 0.166666666666667, 0.666666666666667, 0.681596510000000 ] mass: 150.360000 reduced_to: 127 - symbol: Sm # 143 coordinates: [ 0.500000000000000, 0.666666666666667, 0.681596510000000 ] mass: 150.360000 reduced_to: 127 - symbol: Sm # 144 coordinates: [ 0.833333333333333, 0.666666666666667, 0.681596510000000 ] mass: 150.360000 reduced_to: 127born_effective_charge:- # 1 (O) - [ -3.056839900000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -3.056839900000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -3.533206900000000 ]- # 2 (O) - [ -3.056839900000001, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -3.056839900000001, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -3.533206900000000 ]- # 3 (Cu) - [ 1.159198860000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.159198860000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.504253890000000 ]- # 4 (Cu) - [ 1.159198860000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.159198860000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.504253890000000 ]- # 5 (Se) - [ -2.726018880000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -2.726018880000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.648714370000000 ]- # 6 (Se) - [ -2.726018880000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -2.726018880000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.648714370000000 ]- # 7 (Sm) - [ 4.623659910000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 4.623659910000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.677667380000000 ]- # 8 (Sm) - [ 4.623659910000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 4.623659910000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.677667380000000 ]dielectric_constant: - [ 9.588778209999999, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 9.588778209999999, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 7.378206810000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1257693100000000, 0.0000000000000000, 0.0013687500000000 ] - [ 0.0063994500000000, 0.0000000000000000, 0.0033584300000000 ] - [ 0.0063552100000000, 0.0000000000000000, -0.0033061100000000 ] - [ -0.0022295400000000, -0.0000184600000000, 0.0000243800000000 ] - [ 0.0014616700000000, 0.0013878900000000, -0.0001554500000000 ] - [ 0.0014618200000000, -0.0013789500000000, 0.0001640400000000 ] - [ -0.0022295400000000, 0.0000184600000000, 0.0000243800000000 ] - [ 0.0014616700000000, -0.0013878900000000, -0.0001554500000000 ] - [ 0.0014618200000000, 0.0013789500000000, 0.0001640400000000 ] - [ -0.0001021400000000, 0.0000000000000000, -0.0000041000000000 ] - [ 0.0000355800000000, 0.0000000000000000, 0.0001179300000000 ] - [ 0.0000365400000000, 0.0000000000000000, -0.0001267100000000 ] - [ -0.0000817000000000, 0.0000000600000000, -0.0000037200000000 ] - [ 0.0000766800000000, 0.0000949900000000, 0.0001674400000000 ] - [ 0.0000777300000000, -0.0000948500000000, -0.0001758600000000 ] - [ -0.0000817000000000, -0.0000000600000000, -0.0000037200000000 ] - [ 0.0000766800000000, -0.0000949900000000, 0.0001674400000000 ] - [ 0.0000777300000000, 0.0000948500000000, -0.0001758600000000 ] - [ 0.0086418800000000, 0.0159779600000000, 0.0021750300000000 ] - [ 0.0023076600000000, 0.0000042800000000, 0.0000050000000000 ] - [ 0.0086100200000000, -0.0157640200000000, -0.0021279500000000 ] - [ -0.0004144600000000, 0.0000000000000000, 0.0006090400000000 ] - [ 0.0008695200000000, 0.0000000000000000, 0.0000054900000000 ] - [ -0.0004056200000000, 0.0000000000000000, -0.0005966400000000 ] - [ 0.0086418800000000, -0.0159779600000000, 0.0021750300000000 ] - [ 0.0023076600000000, -0.0000042800000000, 0.0000050000000000 ] - [ 0.0086100200000000, 0.0157640200000000, -0.0021279500000000 ] - [ -0.0000562800000000, 0.0000116200000000, -0.0000521500000000 ] - [ 0.0001796200000000, 0.0000002100000000, -0.0000051000000000 ] - [ -0.0000556100000000, -0.0000114000000000, 0.0000448100000000 ] - [ 0.0000115100000000, 0.0000000000000000, -0.0000468100000000 ] - [ 0.0000315300000000, 0.0000000000000000, -0.0000057000000000 ] - [ 0.0000124300000000, 0.0000000000000000, 0.0000406400000000 ] - [ -0.0000562800000000, -0.0000116200000000, -0.0000521500000000 ] - [ 0.0001796200000000, -0.0000002100000000, -0.0000051000000000 ] - [ -0.0000556100000000, 0.0000114000000000, 0.0000448100000000 ] - [ 0.0003364700000000, -0.0000049100000000, -0.0002899500000000 ] - [ -0.0006512300000000, 0.0000013600000000, 0.0000024800000000 ] - [ 0.0003341700000000, 0.0000064400000000, 0.0002900500000000 ] - [ 0.0001328500000000, 0.0000000000000000, -0.0000442700000000 ] - [ -0.0002946200000000, 0.0000000000000000, -0.0000000600000000 ] - [ 0.0001333900000000, 0.0000000000000000, 0.0000448800000000 ] - [ 0.0003364700000000, 0.0000049100000000, -0.0002899500000000 ] - [ -0.0006512300000000, -0.0000013600000000, 0.0000024800000000 ] - [ 0.0003341700000000, -0.0000064400000000, 0.0002900500000000 ] - [ 0.0000948900000000, -0.0003241800000000, -0.0001122500000000 ] - [ -0.0000835400000000, 0.0000001500000000, -0.0000003000000000 ] - [ 0.0000960000000000, 0.0003248000000000, 0.0001134900000000 ] - [ -0.0000405500000000, 0.0000000000000000, -0.0001097500000000 ] - [ 0.0000138100000000, 0.0000000000000000, -0.0000008300000000 ] - [ -0.0000372700000000, 0.0000000000000000, 0.0001122100000000 ] - [ 0.0000948900000000, 0.0003241800000000, -0.0001122500000000 ] - [ -0.0000835400000000, -0.0000001500000000, -0.0000003000000000 ] - [ 0.0000960000000000, -0.0003248000000000, 0.0001134900000000 ] - [ -0.0000761400000000, 0.0000000000000000, -0.0000023700000000 ] - [ 0.0001963000000000, 0.0000000000000000, 0.0000267000000000 ] - [ 0.0001900100000000, 0.0000000000000000, -0.0000280200000000 ] - [ -0.0001155200000000, 0.0000035700000000, -0.0000028000000000 ] - [ 0.0001055900000000, -0.0002841000000000, 0.0003924300000000 ] - [ 0.0001016700000000, 0.0002796000000000, -0.0003880800000000 ] - [ -0.0001155200000000, -0.0000035700000000, -0.0000028000000000 ] - [ 0.0001055900000000, 0.0002841000000000, 0.0003924300000000 ] - [ 0.0001016700000000, -0.0002796000000000, -0.0003880800000000 ] - [ 0.0006598500000000, 0.0000000000000000, 0.0000004000000000 ] - [ -0.0009570300000000, 0.0000000000000000, -0.0003838400000000 ] - [ -0.0009628500000000, 0.0000000000000000, 0.0003917600000000 ] - [ 0.0002042900000000, -0.0000005000000000, -0.0000011900000000 ] - [ -0.0000570500000000, -0.0000461300000000, 0.0001258500000000 ] - [ -0.0000591400000000, 0.0000466900000000, -0.0001236000000000 ] - [ 0.0002042900000000, 0.0000005000000000, -0.0000011900000000 ] - [ -0.0000570500000000, 0.0000461300000000, 0.0001258500000000 ] - [ -0.0000591400000000, -0.0000466900000000, -0.0001236000000000 ] - [ -0.0020587400000000, -0.0000077800000000, -0.0141470700000000 ] - [ 0.0016492200000000, 0.0015702600000000, -0.0157074100000000 ] - [ 0.0016372400000000, -0.0015517100000000, -0.0126249900000000 ] - [ -0.0005738900000000, 0.0000000000000000, -0.0141598500000000 ] - [ 0.0002496800000000, 0.0000000000000000, -0.0143463800000000 ] - [ 0.0002507600000000, 0.0000000000000000, -0.0139716700000000 ] - [ -0.0020587400000000, 0.0000077800000000, -0.0141470700000000 ] - [ 0.0016492200000000, -0.0015702600000000, -0.0157074100000000 ] - [ 0.0016372400000000, 0.0015517100000000, -0.0126249900000000 ] - [ -0.0004074200000000, -0.0000002100000000, -0.0141600300000000 ] - [ 0.0004910100000000, 0.0003160900000000, -0.0137425500000000 ] - [ 0.0004950200000000, -0.0003170100000000, -0.0145801100000000 ] - [ -0.0002293400000000, 0.0000000000000000, -0.0141602500000000 ] - [ 0.0000701400000000, 0.0000000000000000, -0.0141851500000000 ] - [ 0.0000752500000000, 0.0000000000000000, -0.0141383600000000 ] - [ -0.0004074200000000, 0.0000002100000000, -0.0141600300000000 ] - [ 0.0004910100000000, -0.0003160900000000, -0.0137425500000000 ] - [ 0.0004950200000000, 0.0003170100000000, -0.0145801100000000 ] - [ 0.0019411500000000, 0.0000000000000000, 0.0178869500000000 ] - [ 0.0010842800000000, 0.0000000000000000, 0.0141611500000000 ] - [ 0.0019589900000000, 0.0000000000000000, 0.0104269900000000 ] - [ -0.0004755600000000, -0.0000655000000000, 0.0141979600000000 ] - [ 0.0003470700000000, 0.0000004500000000, 0.0141608100000000 ] - [ -0.0004619300000000, 0.0000577200000000, 0.0141145400000000 ] - [ -0.0004755600000000, 0.0000655000000000, 0.0141979600000000 ] - [ 0.0003470700000000, -0.0000004500000000, 0.0141608100000000 ] - [ -0.0004619300000000, -0.0000577200000000, 0.0141145400000000 ] - [ -0.0002288400000000, 0.0000000000000000, 0.0142750700000000 ] - [ 0.0003494900000000, 0.0000000000000000, 0.0141577400000000 ] - [ -0.0002263300000000, 0.0000000000000000, 0.0140426700000000 ] - [ -0.0002479200000000, -0.0000239300000000, 0.0142325300000000 ] - [ 0.0006475400000000, 0.0000025400000000, 0.0141552100000000 ] - [ -0.0002434900000000, 0.0000224300000000, 0.0140870400000000 ] - [ -0.0002479200000000, 0.0000239300000000, 0.0142325300000000 ] - [ 0.0006475400000000, -0.0000025400000000, 0.0141552100000000 ] - [ -0.0002434900000000, -0.0000224300000000, 0.0140870400000000 ] - [ 0.0153485900000000, 0.0000205900000000, -0.0085130800000000 ] - [ -0.0043239800000000, -0.0015411000000000, -0.0108179900000000 ] - [ -0.0043237000000000, 0.0015301100000000, -0.0061587700000000 ] - [ 0.0010137000000000, 0.0000000000000000, -0.0084738200000000 ] - [ -0.0004891900000000, 0.0000000000000000, -0.0090592700000000 ] - [ -0.0004970300000000, 0.0000000000000000, -0.0079031000000000 ] - [ 0.0153485900000000, -0.0000205900000000, -0.0085130800000000 ] - [ -0.0043239800000000, 0.0015411000000000, -0.0108179900000000 ] - [ -0.0043237000000000, -0.0015301100000000, -0.0061587700000000 ] - [ 0.0002156900000000, -0.0000007100000000, -0.0084684700000000 ] - [ -0.0001094700000000, -0.0000217200000000, -0.0084305700000000 ] - [ -0.0001122200000000, 0.0000202500000000, -0.0085018900000000 ] - [ 0.0001930100000000, 0.0000000000000000, -0.0084695100000000 ] - [ -0.0001344300000000, 0.0000000000000000, -0.0084246100000000 ] - [ -0.0001398000000000, 0.0000000000000000, -0.0085093100000000 ] - [ 0.0002156900000000, 0.0000007100000000, -0.0084684700000000 ] - [ -0.0001094700000000, 0.0000217200000000, -0.0084305700000000 ] - [ -0.0001122200000000, -0.0000202500000000, -0.0085018900000000 ] - [ 0.0287069700000000, 0.0000000000000000, -0.0088673800000000 ] - [ -0.0048311900000000, 0.0000000000000000, 0.0084727700000000 ] - [ 0.0268635900000000, 0.0000000000000000, 0.0243933600000000 ] - [ 0.0013041100000000, -0.0034752400000000, 0.0102975300000000 ] - [ -0.0019527400000000, -0.0000047500000000, 0.0084662600000000 ] - [ 0.0012786400000000, 0.0034604800000000, 0.0066386100000000 ] - [ 0.0013041100000000, 0.0034752400000000, 0.0102975300000000 ] - [ -0.0019527400000000, 0.0000047500000000, 0.0084662600000000 ] - [ 0.0012786400000000, -0.0034604800000000, 0.0066386100000000 ] - [ 0.0001785200000000, 0.0000000000000000, 0.0082820100000000 ] - [ -0.0004268100000000, 0.0000000000000000, 0.0084786000000000 ] - [ 0.0001779600000000, 0.0000000000000000, 0.0086743400000000 ] - [ 0.0001395600000000, -0.0000647100000000, 0.0083658400000000 ] - [ -0.0003537400000000, 0.0000005300000000, 0.0084784200000000 ] - [ 0.0001393400000000, 0.0000649200000000, 0.0085895900000000 ] - [ 0.0001395600000000, 0.0000647100000000, 0.0083658400000000 ] - [ -0.0003537400000000, -0.0000005300000000, 0.0084784200000000 ] - [ 0.0001393400000000, -0.0000649200000000, 0.0085895900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0838037600000000 ] - [ -0.0033219000000000, 0.0000000000000000, -0.0052465800000000 ] - [ 0.0033219000000000, 0.0000000000000000, -0.0052465800000000 ] - [ 0.0000000000000000, 0.0033423400000000, -0.0052864200000000 ] - [ 0.0001568600000000, -0.0001627400000000, -0.0010356900000000 ] - [ -0.0001568600000000, -0.0001627400000000, -0.0010356900000000 ] - [ 0.0000000000000000, -0.0033423400000000, -0.0052864200000000 ] - [ 0.0001568600000000, 0.0001627400000000, -0.0010356900000000 ] - [ -0.0001568600000000, 0.0001627400000000, -0.0010356900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012966400000000 ] - [ -0.0001223600000000, 0.0000000000000000, 0.0012496000000000 ] - [ 0.0001223600000000, 0.0000000000000000, 0.0012496000000000 ] - [ 0.0000000000000000, 0.0001220900000000, 0.0012492800000000 ] - [ -0.0001714700000000, 0.0001717100000000, 0.0013393800000000 ] - [ 0.0001714700000000, 0.0001717100000000, 0.0013393800000000 ] - [ 0.0000000000000000, -0.0001220900000000, 0.0012492800000000 ] - [ -0.0001714700000000, -0.0001717100000000, 0.0013393800000000 ] - [ 0.0001714700000000, -0.0001717100000000, 0.0013393800000000 ] - [ 0.0021113300000000, -0.0021914000000000, -0.0063749600000000 ] - [ 0.0000000000000000, -0.0006014800000000, -0.0013186500000000 ] - [ -0.0021113300000000, -0.0021914000000000, -0.0063749600000000 ] - [ 0.0006043200000000, 0.0000000000000000, -0.0013202100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011707300000000 ] - [ -0.0006043200000000, 0.0000000000000000, -0.0013202100000000 ] - [ 0.0021113300000000, 0.0021914000000000, -0.0063749600000000 ] - [ 0.0000000000000000, 0.0006014800000000, -0.0013186500000000 ] - [ -0.0021113300000000, 0.0021914000000000, -0.0063749600000000 ] - [ -0.0000483300000000, 0.0000484700000000, 0.0012229900000000 ] - [ 0.0000000000000000, 0.0000437600000000, 0.0014292200000000 ] - [ 0.0000483300000000, 0.0000484700000000, 0.0012229900000000 ] - [ -0.0000436600000000, 0.0000000000000000, 0.0014271900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013797800000000 ] - [ 0.0000436600000000, 0.0000000000000000, 0.0014271900000000 ] - [ -0.0000483300000000, -0.0000484700000000, 0.0012229900000000 ] - [ 0.0000000000000000, -0.0000437600000000, 0.0014292200000000 ] - [ 0.0000483300000000, -0.0000484700000000, 0.0012229900000000 ] - [ 0.0003392300000000, -0.0001244500000000, -0.0000383500000000 ] - [ 0.0000000000000000, -0.0001115300000000, -0.0002572100000000 ] - [ -0.0003392300000000, -0.0001244500000000, -0.0000383500000000 ] - [ 0.0001404500000000, 0.0000000000000000, 0.0000768000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000239500000000 ] - [ -0.0001404500000000, 0.0000000000000000, 0.0000768000000000 ] - [ 0.0003392300000000, 0.0001244500000000, -0.0000383500000000 ] - [ 0.0000000000000000, 0.0001115300000000, -0.0002572100000000 ] - [ -0.0003392300000000, 0.0001244500000000, -0.0000383500000000 ] - [ 0.0001269100000000, -0.0003401500000000, -0.0000361800000000 ] - [ 0.0000000000000000, -0.0001430300000000, 0.0000776200000000 ] - [ -0.0001269100000000, -0.0003401500000000, -0.0000361800000000 ] - [ 0.0001099500000000, 0.0000000000000000, -0.0002561300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000238500000000 ] - [ -0.0001099500000000, 0.0000000000000000, -0.0002561300000000 ] - [ 0.0001269100000000, 0.0003401500000000, -0.0000361800000000 ] - [ 0.0000000000000000, 0.0001430300000000, 0.0000776200000000 ] - [ -0.0001269100000000, 0.0003401500000000, -0.0000361800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005509500000000 ] - [ 0.0000273500000000, 0.0000000000000000, 0.0000040700000000 ] - [ -0.0000273500000000, 0.0000000000000000, 0.0000040700000000 ] - [ 0.0000000000000000, 0.0013954900000000, -0.0009758500000000 ] - [ 0.0000269000000000, 0.0002581200000000, -0.0001270500000000 ] - [ -0.0000269000000000, 0.0002581200000000, -0.0001270500000000 ] - [ 0.0000000000000000, -0.0013954900000000, -0.0009758500000000 ] - [ 0.0000269000000000, -0.0002581200000000, -0.0001270500000000 ] - [ -0.0000269000000000, -0.0002581200000000, -0.0001270500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005536900000000 ] - [ -0.0014044700000000, 0.0000000000000000, -0.0009816400000000 ] - [ 0.0014044700000000, 0.0000000000000000, -0.0009816400000000 ] - [ 0.0000000000000000, -0.0000272600000000, 0.0000031200000000 ] - [ -0.0002576500000000, -0.0000254600000000, -0.0001256500000000 ] - [ 0.0002576500000000, -0.0000254600000000, -0.0001256500000000 ] - [ 0.0000000000000000, 0.0000272600000000, 0.0000031200000000 ] - [ -0.0002576500000000, 0.0000254600000000, -0.0001256500000000 ] - [ 0.0002576500000000, 0.0000254600000000, -0.0001256500000000 ] - [ 0.0000000000000000, -0.0047786200000000, -0.0094216500000000 ] - [ -0.0006432500000000, -0.0009140300000000, -0.0136718400000000 ] - [ 0.0006432500000000, -0.0009140300000000, -0.0136718400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0147379300000000 ] - [ -0.0000102100000000, 0.0000000000000000, -0.0144068000000000 ] - [ 0.0000102100000000, 0.0000000000000000, -0.0144068000000000 ] - [ 0.0000000000000000, 0.0047786200000000, -0.0094216500000000 ] - [ -0.0006432500000000, 0.0009140300000000, -0.0136718400000000 ] - [ 0.0006432500000000, 0.0009140300000000, -0.0136718400000000 ] - [ 0.0000000000000000, 0.0001794300000000, -0.0137461700000000 ] - [ 0.0006521000000000, 0.0004800500000000, -0.0132556000000000 ] - [ -0.0006521000000000, 0.0004800500000000, -0.0132556000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0138773900000000 ] - [ 0.0002446600000000, 0.0000000000000000, -0.0136999500000000 ] - [ -0.0002446600000000, 0.0000000000000000, -0.0136999500000000 ] - [ 0.0000000000000000, -0.0001794300000000, -0.0137461700000000 ] - [ 0.0006521000000000, -0.0004800500000000, -0.0132556000000000 ] - [ -0.0006521000000000, -0.0004800500000000, -0.0132556000000000 ] - [ 0.0048282100000000, 0.0000000000000000, 0.0189410100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0135781200000000 ] - [ -0.0048282100000000, 0.0000000000000000, 0.0189410100000000 ] - [ 0.0009108900000000, 0.0006394700000000, 0.0146437900000000 ] - [ 0.0000000000000000, 0.0000103100000000, 0.0139103100000000 ] - [ -0.0009108900000000, 0.0006394700000000, 0.0146437900000000 ] - [ 0.0009108900000000, -0.0006394700000000, 0.0146437900000000 ] - [ 0.0000000000000000, -0.0000103100000000, 0.0139103100000000 ] - [ -0.0009108900000000, -0.0006394700000000, 0.0146437900000000 ] - [ -0.0001805300000000, 0.0000000000000000, 0.0145738900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0144432200000000 ] - [ 0.0001805300000000, 0.0000000000000000, 0.0145738900000000 ] - [ -0.0004769700000000, -0.0006491900000000, 0.0150610900000000 ] - [ 0.0000000000000000, -0.0002460800000000, 0.0146210700000000 ] - [ 0.0004769700000000, -0.0006491900000000, 0.0150610900000000 ] - [ -0.0004769700000000, 0.0006491900000000, 0.0150610900000000 ] - [ 0.0000000000000000, 0.0002460800000000, 0.0146210700000000 ] - [ 0.0004769700000000, 0.0006491900000000, 0.0150610900000000 ] - [ 0.0000000000000000, 0.0140846300000000, 0.0156601500000000 ] - [ -0.0009777800000000, 0.0003854600000000, -0.0059011000000000 ] - [ 0.0009777800000000, 0.0003854600000000, -0.0059011000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0078791500000000 ] - [ -0.0005575900000000, 0.0000000000000000, -0.0069618700000000 ] - [ 0.0005575900000000, 0.0000000000000000, -0.0069618700000000 ] - [ 0.0000000000000000, -0.0140846300000000, 0.0156601500000000 ] - [ -0.0009777800000000, -0.0003854600000000, -0.0059011000000000 ] - [ 0.0009777800000000, -0.0003854600000000, -0.0059011000000000 ] - [ 0.0000000000000000, 0.0000038100000000, -0.0103611000000000 ] - [ 0.0003428000000000, -0.0000189200000000, -0.0101744200000000 ] - [ -0.0003428000000000, -0.0000189200000000, -0.0101744200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0102924600000000 ] - [ 0.0004810000000000, 0.0000000000000000, -0.0100799200000000 ] - [ -0.0004810000000000, 0.0000000000000000, -0.0100799200000000 ] - [ 0.0000000000000000, -0.0000038100000000, -0.0103611000000000 ] - [ 0.0003428000000000, 0.0000189200000000, -0.0101744200000000 ] - [ -0.0003428000000000, 0.0000189200000000, -0.0101744200000000 ] - [ -0.0132770300000000, 0.0000000000000000, 0.0322283000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0090676300000000 ] - [ 0.0132770300000000, 0.0000000000000000, 0.0322283000000000 ] - [ -0.0003976900000000, 0.0009994400000000, 0.0110267500000000 ] - [ 0.0000000000000000, 0.0005577200000000, 0.0099796100000000 ] - [ 0.0003976900000000, 0.0009994400000000, 0.0110267500000000 ] - [ -0.0003976900000000, -0.0009994400000000, 0.0110267500000000 ] - [ 0.0000000000000000, -0.0005577200000000, 0.0099796100000000 ] - [ 0.0003976900000000, -0.0009994400000000, 0.0110267500000000 ] - [ -0.0000036000000000, 0.0000000000000000, 0.0065808300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0066484500000000 ] - [ 0.0000036000000000, 0.0000000000000000, 0.0065808300000000 ] - [ 0.0000200500000000, -0.0003443700000000, 0.0067703100000000 ] - [ 0.0000000000000000, -0.0004835000000000, 0.0068633400000000 ] - [ -0.0000200500000000, -0.0003443700000000, 0.0067703100000000 ] - [ 0.0000200500000000, 0.0003443700000000, 0.0067703100000000 ] - [ 0.0000000000000000, 0.0004835000000000, 0.0068633400000000 ] - [ -0.0000200500000000, 0.0003443700000000, 0.0067703100000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003428600000000, -0.0003240600000000, 0.0003393400000000 ] - [ 0.0003400000000000, 0.0003253500000000, -0.0003410000000000 ] - [ -0.0006450000000000, -0.0000003900000000, 0.0000011600000000 ] - [ 0.0003428600000000, 0.0003240600000000, 0.0003393400000000 ] - [ 0.0003400000000000, -0.0003253500000000, -0.0003410000000000 ] - [ -0.0006450000000000, 0.0000003900000000, 0.0000011600000000 ] - [ 0.0001400500000000, 0.0000000000000000, 0.0001413400000000 ] - [ 0.0001394800000000, 0.0000000000000000, -0.0001427700000000 ] - [ -0.0002898400000000, 0.0000000000000000, -0.0000001700000000 ] - [ 0.0001035800000000, -0.0000043000000000, 0.0001293100000000 ] - [ 0.0000997900000000, 0.0000058500000000, -0.0001228800000000 ] - [ -0.0000776500000000, 0.0000005000000000, -0.0000014800000000 ] - [ 0.0001035800000000, 0.0000043000000000, 0.0001293100000000 ] - [ 0.0000997900000000, -0.0000058500000000, -0.0001228800000000 ] - [ -0.0000776500000000, -0.0000005000000000, -0.0000014800000000 ] - [ -0.0000323400000000, 0.0000000000000000, 0.0001126800000000 ] - [ -0.0000328800000000, 0.0000000000000000, -0.0001097500000000 ] - [ 0.0000193700000000, 0.0000000000000000, -0.0000006200000000 ] - [ 0.0006579300000000, 0.0000000000000000, 0.0000006900000000 ] - [ -0.0009603800000000, 0.0000000000000000, -0.0013961600000000 ] - [ -0.0009627200000000, 0.0000000000000000, 0.0014029500000000 ] - [ 0.0002023500000000, 0.0000014800000000, -0.0000002700000000 ] - [ -0.0000600200000000, -0.0002804400000000, -0.0002574800000000 ] - [ -0.0000591200000000, 0.0002841300000000, 0.0002581600000000 ] - [ 0.0002023500000000, -0.0000014800000000, -0.0000002700000000 ] - [ -0.0000600200000000, 0.0002804400000000, -0.0002574800000000 ] - [ -0.0000591200000000, -0.0002841300000000, 0.0002581600000000 ] - [ -0.0000774000000000, 0.0000000000000000, 0.0000012900000000 ] - [ 0.0001913200000000, 0.0000000000000000, 0.0000276500000000 ] - [ 0.0001907000000000, 0.0000000000000000, -0.0000267600000000 ] - [ -0.0001174000000000, 0.0000010700000000, 0.0000000500000000 ] - [ 0.0001003800000000, -0.0000462200000000, 0.0000263000000000 ] - [ 0.0001036900000000, 0.0000469300000000, -0.0000264300000000 ] - [ -0.0001174000000000, -0.0000010700000000, 0.0000000500000000 ] - [ 0.0001003800000000, 0.0000462200000000, 0.0000263000000000 ] - [ 0.0001036900000000, -0.0000469300000000, -0.0000264300000000 ] - [ -0.0278062100000000, 0.0000000000000000, -0.0006084300000000 ] - [ 0.0015692900000000, 0.0000000000000000, -0.0002291800000000 ] - [ 0.0015591400000000, 0.0000000000000000, 0.0002108800000000 ] - [ -0.0002342600000000, 0.0000001700000000, 0.0000007900000000 ] - [ 0.0001004000000000, 0.0000382000000000, 0.0000368600000000 ] - [ 0.0001014100000000, -0.0000399600000000, -0.0000373900000000 ] - [ -0.0002342600000000, -0.0000001700000000, 0.0000007900000000 ] - [ 0.0001004000000000, -0.0000382000000000, 0.0000368600000000 ] - [ 0.0001014100000000, 0.0000399600000000, -0.0000373900000000 ] - [ 0.0000007400000000, 0.0000000000000000, 0.0000000400000000 ] - [ -0.0000035600000000, 0.0000000000000000, 0.0000109400000000 ] - [ -0.0000045200000000, 0.0000000000000000, -0.0000111100000000 ] - [ 0.0000046200000000, 0.0000002700000000, -0.0000000100000000 ] - [ -0.0000051200000000, 0.0000046000000000, 0.0000116800000000 ] - [ -0.0000048900000000, -0.0000051800000000, -0.0000118800000000 ] - [ 0.0000046200000000, -0.0000002700000000, -0.0000000100000000 ] - [ -0.0000051200000000, -0.0000046000000000, 0.0000116800000000 ] - [ -0.0000048900000000, 0.0000051800000000, -0.0000118800000000 ] - [ 0.0020478200000000, 0.0028034400000000, 0.0010740700000000 ] - [ 0.0021482600000000, -0.0029447400000000, -0.0010925600000000 ] - [ 0.0002982200000000, -0.0000001500000000, 0.0000003400000000 ] - [ 0.0020478200000000, -0.0028034400000000, 0.0010740700000000 ] - [ 0.0021482600000000, 0.0029447400000000, -0.0010925600000000 ] - [ 0.0002982200000000, 0.0000001500000000, 0.0000003400000000 ] - [ -0.0000169300000000, 0.0000000000000000, 0.0001110100000000 ] - [ -0.0000150400000000, 0.0000000000000000, -0.0001102500000000 ] - [ 0.0000528400000000, 0.0000000000000000, 0.0000004300000000 ] - [ -0.0000039800000000, 0.0000004100000000, 0.0000033900000000 ] - [ -0.0000050300000000, -0.0000003300000000, -0.0000034700000000 ] - [ 0.0000305600000000, 0.0000001500000000, 0.0000000000000000 ] - [ -0.0000039800000000, -0.0000004100000000, 0.0000033900000000 ] - [ -0.0000050300000000, 0.0000003300000000, -0.0000034700000000 ] - [ 0.0000305600000000, -0.0000001500000000, 0.0000000000000000 ] - [ -0.0000032600000000, 0.0000000000000000, 0.0000020800000000 ] - [ -0.0000043000000000, 0.0000000000000000, -0.0000024000000000 ] - [ 0.0000270800000000, 0.0000000000000000, -0.0000000200000000 ] - [ 0.0117090900000000, 0.0000000000000000, -0.0273848100000000 ] - [ 0.0123108600000000, 0.0000000000000000, -0.0003091200000000 ] - [ -0.0009953300000000, 0.0000000000000000, -0.0141601200000000 ] - [ -0.0000119700000000, 0.0003740500000000, -0.0140743300000000 ] - [ -0.0000113800000000, -0.0003718700000000, -0.0142448400000000 ] - [ -0.0001524800000000, 0.0000006900000000, -0.0141584100000000 ] - [ -0.0000119700000000, -0.0003740500000000, -0.0140743300000000 ] - [ -0.0000113800000000, 0.0003718700000000, -0.0142448400000000 ] - [ -0.0001524800000000, -0.0000006900000000, -0.0141584100000000 ] - [ 0.0000075400000000, 0.0000000000000000, -0.0141580800000000 ] - [ 0.0000070500000000, 0.0000000000000000, -0.0141583300000000 ] - [ -0.0000100000000000, 0.0000000000000000, -0.0141579700000000 ] - [ 0.0000126400000000, 0.0000002700000000, -0.0141530600000000 ] - [ 0.0000120000000000, -0.0000004700000000, -0.0141629800000000 ] - [ -0.0000177700000000, 0.0000004800000000, -0.0141582300000000 ] - [ 0.0000126400000000, -0.0000002700000000, -0.0141530600000000 ] - [ 0.0000120000000000, 0.0000004700000000, -0.0141629800000000 ] - [ -0.0000177700000000, -0.0000004800000000, -0.0141582300000000 ] - [ 0.0000555000000000, -0.0000000200000000, 0.0141588600000000 ] - [ -0.0000321000000000, 0.0000125100000000, 0.0141226900000000 ] - [ -0.0000315600000000, -0.0000126000000000, 0.0141944600000000 ] - [ 0.0000555000000000, 0.0000000200000000, 0.0141588600000000 ] - [ -0.0000321000000000, -0.0000125100000000, 0.0141226900000000 ] - [ -0.0000315600000000, 0.0000126000000000, 0.0141944600000000 ] - [ 0.0000426600000000, 0.0000000000000000, 0.0141584700000000 ] - [ -0.0000191200000000, 0.0000000000000000, 0.0141261900000000 ] - [ -0.0000199400000000, 0.0000000000000000, 0.0141909600000000 ] - [ -0.0025125500000000, 0.0000585900000000, 0.0141977300000000 ] - [ -0.0004244000000000, 0.0001619600000000, 0.0143908900000000 ] - [ -0.0004365300000000, -0.0001740300000000, 0.0139171700000000 ] - [ -0.0025125500000000, -0.0000585900000000, 0.0141977300000000 ] - [ -0.0004244000000000, -0.0001619600000000, 0.0143908900000000 ] - [ -0.0004365300000000, 0.0001740300000000, 0.0139171700000000 ] - [ 0.0000847000000000, 0.0000000000000000, 0.0141596400000000 ] - [ -0.0000432900000000, 0.0000000000000000, 0.0142010300000000 ] - [ -0.0000424700000000, 0.0000000000000000, 0.0141150600000000 ] - [ -0.0004279000000000, 0.0000000000000000, -0.0092701700000000 ] - [ -0.0004246000000000, 0.0000000000000000, -0.0076740800000000 ] - [ 0.0007683300000000, 0.0000000000000000, -0.0084734200000000 ] - [ -0.0001280000000000, -0.0000948700000000, -0.0086483200000000 ] - [ -0.0001268800000000, 0.0000943500000000, -0.0082948900000000 ] - [ 0.0002691000000000, -0.0000006800000000, -0.0084723400000000 ] - [ -0.0001280000000000, 0.0000948700000000, -0.0086483200000000 ] - [ -0.0001268800000000, -0.0000943500000000, -0.0082948900000000 ] - [ 0.0002691000000000, 0.0000006800000000, -0.0084723400000000 ] - [ -0.0000795900000000, 0.0000000000000000, -0.0079082800000000 ] - [ -0.0000525100000000, 0.0000000000000000, -0.0090622900000000 ] - [ 0.0004121100000000, 0.0000000000000000, -0.0084701900000000 ] - [ -0.0003084000000000, 0.0001603900000000, -0.0085198700000000 ] - [ -0.0003024700000000, -0.0001546700000000, -0.0084291700000000 ] - [ 0.0002645800000000, -0.0000022600000000, -0.0084689500000000 ] - [ -0.0003084000000000, -0.0001603900000000, -0.0085198700000000 ] - [ -0.0003024700000000, 0.0001546700000000, -0.0084291700000000 ] - [ 0.0002645800000000, 0.0000022600000000, -0.0084689500000000 ] - [ -0.0017204100000000, -0.0000059200000000, 0.0084788200000000 ] - [ 0.0009927500000000, -0.0015261700000000, 0.0091176600000000 ] - [ 0.0009940900000000, 0.0015384500000000, 0.0078198500000000 ] - [ -0.0017204100000000, 0.0000059200000000, 0.0084788200000000 ] - [ 0.0009927500000000, 0.0015261700000000, 0.0091176600000000 ] - [ 0.0009940900000000, -0.0015384500000000, 0.0078198500000000 ] - [ -0.0007202700000000, 0.0000000000000000, 0.0084722100000000 ] - [ 0.0003663200000000, 0.0000000000000000, 0.0085701100000000 ] - [ 0.0003642400000000, 0.0000000000000000, 0.0083736700000000 ] - [ 0.0000832900000000, -0.0000003800000000, 0.0084697200000000 ] - [ -0.0000359100000000, 0.0000032400000000, 0.0084504600000000 ] - [ -0.0000379600000000, -0.0000033400000000, 0.0084921900000000 ] - [ 0.0000832900000000, 0.0000003800000000, 0.0084697200000000 ] - [ -0.0000359100000000, -0.0000032400000000, 0.0084504600000000 ] - [ -0.0000379600000000, 0.0000033400000000, 0.0084921900000000 ] - [ 0.0001058400000000, 0.0000000000000000, 0.0084701700000000 ] - [ -0.0000449000000000, 0.0000000000000000, 0.0084916900000000 ] - [ -0.0000466200000000, 0.0000000000000000, 0.0084498700000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002905900000000, 0.0001117300000000, -0.0000388600000000 ] - [ 0.0002905900000000, 0.0001117300000000, -0.0000388600000000 ] - [ 0.0000000000000000, 0.0001105600000000, -0.0002576400000000 ] - [ -0.0002905900000000, -0.0001117300000000, -0.0000388600000000 ] - [ 0.0002905900000000, -0.0001117300000000, -0.0000388600000000 ] - [ 0.0000000000000000, -0.0001105600000000, -0.0002576400000000 ] - [ -0.0000452600000000, 0.0000000000000000, 0.0000767200000000 ] - [ 0.0000452600000000, 0.0000000000000000, 0.0000767200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000234200000000 ] - [ -0.0001139700000000, 0.0002894700000000, -0.0000362600000000 ] - [ 0.0001139700000000, 0.0002894700000000, -0.0000362600000000 ] - [ 0.0000000000000000, 0.0000440800000000, 0.0000766700000000 ] - [ -0.0001139700000000, -0.0002894700000000, -0.0000362600000000 ] - [ 0.0001139700000000, -0.0002894700000000, -0.0000362600000000 ] - [ 0.0000000000000000, -0.0000440800000000, 0.0000766700000000 ] - [ -0.0001114100000000, 0.0000000000000000, -0.0002561200000000 ] - [ 0.0001114100000000, 0.0000000000000000, -0.0002561200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000234100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005513500000000 ] - [ -0.0003838800000000, 0.0000000000000000, -0.0009765500000000 ] - [ 0.0003838800000000, 0.0000000000000000, -0.0009765500000000 ] - [ 0.0000000000000000, -0.0000214800000000, 0.0000046200000000 ] - [ 0.0001248400000000, -0.0003905800000000, -0.0001274200000000 ] - [ -0.0001248400000000, -0.0003905800000000, -0.0001274200000000 ] - [ 0.0000000000000000, 0.0000214800000000, 0.0000046200000000 ] - [ 0.0001248400000000, 0.0003905800000000, -0.0001274200000000 ] - [ -0.0001248400000000, 0.0003905800000000, -0.0001274200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005525900000000 ] - [ 0.0000329000000000, 0.0000000000000000, 0.0000026400000000 ] - [ -0.0000329000000000, 0.0000000000000000, 0.0000026400000000 ] - [ 0.0000000000000000, 0.0003917500000000, -0.0009814100000000 ] - [ 0.0003896600000000, -0.0001246000000000, -0.0001260000000000 ] - [ -0.0003896600000000, -0.0001246000000000, -0.0001260000000000 ] - [ 0.0000000000000000, -0.0003917500000000, -0.0009814100000000 ] - [ 0.0003896600000000, 0.0001246000000000, -0.0001260000000000 ] - [ -0.0003896600000000, 0.0001246000000000, -0.0001260000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0284960100000000 ] - [ 0.0002173000000000, 0.0000000000000000, -0.0004209100000000 ] - [ -0.0002173000000000, 0.0000000000000000, -0.0004209100000000 ] - [ 0.0000000000000000, -0.0002218600000000, -0.0004186000000000 ] - [ -0.0000373800000000, 0.0000376600000000, 0.0000245300000000 ] - [ 0.0000373800000000, 0.0000376600000000, 0.0000245300000000 ] - [ 0.0000000000000000, 0.0002218600000000, -0.0004186000000000 ] - [ -0.0000373800000000, -0.0000376600000000, 0.0000245300000000 ] - [ 0.0000373800000000, -0.0000376600000000, 0.0000245300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000431500000000 ] - [ -0.0000098500000000, 0.0000000000000000, 0.0000207900000000 ] - [ 0.0000098500000000, 0.0000000000000000, 0.0000207900000000 ] - [ 0.0000000000000000, 0.0000117300000000, 0.0000208300000000 ] - [ -0.0000119100000000, 0.0000116100000000, 0.0000345800000000 ] - [ 0.0000119100000000, 0.0000116100000000, 0.0000345800000000 ] - [ 0.0000000000000000, -0.0000117300000000, 0.0000208300000000 ] - [ -0.0000119100000000, -0.0000116100000000, 0.0000345800000000 ] - [ 0.0000119100000000, -0.0000116100000000, 0.0000345800000000 ] - [ 0.0010895200000000, -0.0010750400000000, -0.0007317200000000 ] - [ -0.0010895200000000, -0.0010750400000000, -0.0007317200000000 ] - [ 0.0000000000000000, -0.0001099600000000, -0.0001172900000000 ] - [ 0.0010895200000000, 0.0010750400000000, -0.0007317200000000 ] - [ -0.0010895200000000, 0.0010750400000000, -0.0007317200000000 ] - [ 0.0000000000000000, 0.0001099600000000, -0.0001172900000000 ] - [ 0.0001090300000000, 0.0000000000000000, -0.0001174100000000 ] - [ -0.0001090300000000, 0.0000000000000000, -0.0001174100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000898300000000 ] - [ 0.0000044700000000, -0.0000032000000000, 0.0000312600000000 ] - [ -0.0000044700000000, -0.0000032000000000, 0.0000312600000000 ] - [ 0.0000000000000000, -0.0000020200000000, 0.0000187300000000 ] - [ 0.0000044700000000, 0.0000032000000000, 0.0000312600000000 ] - [ -0.0000044700000000, 0.0000032000000000, 0.0000312600000000 ] - [ 0.0000000000000000, 0.0000020200000000, 0.0000187300000000 ] - [ 0.0000032800000000, 0.0000000000000000, 0.0000187900000000 ] - [ -0.0000032800000000, 0.0000000000000000, 0.0000187900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000031800000000 ] - [ -0.0109079000000000, 0.0000000000000000, -0.0068577800000000 ] - [ 0.0109079000000000, 0.0000000000000000, -0.0068577800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0140323000000000 ] - [ -0.0002583000000000, -0.0000774800000000, -0.0139205200000000 ] - [ 0.0002583000000000, -0.0000774800000000, -0.0139205200000000 ] - [ 0.0000000000000000, -0.0001128900000000, -0.0140763400000000 ] - [ -0.0002583000000000, 0.0000774800000000, -0.0139205200000000 ] - [ 0.0002583000000000, 0.0000774800000000, -0.0139205200000000 ] - [ 0.0000000000000000, 0.0001128900000000, -0.0140763400000000 ] - [ -0.0000377600000000, 0.0000000000000000, -0.0142460400000000 ] - [ 0.0000377600000000, 0.0000000000000000, -0.0142460400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0142115500000000 ] - [ -0.0000439600000000, -0.0000252600000000, -0.0142642800000000 ] - [ 0.0000439600000000, -0.0000252600000000, -0.0142642800000000 ] - [ 0.0000000000000000, -0.0000168900000000, -0.0142329900000000 ] - [ -0.0000439600000000, 0.0000252600000000, -0.0142642800000000 ] - [ 0.0000439600000000, 0.0000252600000000, -0.0142642800000000 ] - [ 0.0000000000000000, 0.0000168900000000, -0.0142329900000000 ] - [ 0.0000000000000000, 0.0000376400000000, 0.0140716700000000 ] - [ 0.0000255100000000, 0.0000439300000000, 0.0140531800000000 ] - [ -0.0000255100000000, 0.0000439300000000, 0.0140531800000000 ] - [ 0.0000000000000000, -0.0000376400000000, 0.0140716700000000 ] - [ 0.0000255100000000, -0.0000439300000000, 0.0140531800000000 ] - [ -0.0000255100000000, -0.0000439300000000, 0.0140531800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0141064300000000 ] - [ 0.0000162100000000, 0.0000000000000000, 0.0140842600000000 ] - [ -0.0000162100000000, 0.0000000000000000, 0.0140842600000000 ] - [ 0.0000000000000000, 0.0104760500000000, 0.0212818400000000 ] - [ 0.0000830000000000, 0.0002549900000000, 0.0143944600000000 ] - [ -0.0000830000000000, 0.0002549900000000, 0.0143944600000000 ] - [ 0.0000000000000000, -0.0104760500000000, 0.0212818400000000 ] - [ 0.0000830000000000, -0.0002549900000000, 0.0143944600000000 ] - [ -0.0000830000000000, -0.0002549900000000, 0.0143944600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0142883500000000 ] - [ 0.0001137200000000, 0.0000000000000000, 0.0142401600000000 ] - [ -0.0001137200000000, 0.0000000000000000, 0.0142401600000000 ] - [ 0.0001833200000000, 0.0000000000000000, -0.0080096100000000 ] - [ -0.0001833200000000, 0.0000000000000000, -0.0080096100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0080377100000000 ] - [ 0.0000827200000000, 0.0001195900000000, -0.0083973900000000 ] - [ -0.0000827200000000, 0.0001195900000000, -0.0083973900000000 ] - [ 0.0000000000000000, 0.0001560500000000, -0.0082880500000000 ] - [ 0.0000827200000000, -0.0001195900000000, -0.0083973900000000 ] - [ -0.0000827200000000, -0.0001195900000000, -0.0083973900000000 ] - [ 0.0000000000000000, -0.0001560500000000, -0.0082880500000000 ] - [ 0.0011097300000000, 0.0000000000000000, -0.0078739100000000 ] - [ -0.0011097300000000, 0.0000000000000000, -0.0078739100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0086470400000000 ] - [ 0.0014963600000000, -0.0001287300000000, -0.0078538600000000 ] - [ -0.0014963600000000, -0.0001287300000000, -0.0078538600000000 ] - [ 0.0000000000000000, 0.0001878100000000, -0.0086725000000000 ] - [ 0.0014963600000000, 0.0001287300000000, -0.0078538600000000 ] - [ -0.0014963600000000, 0.0001287300000000, -0.0078538600000000 ] - [ 0.0000000000000000, -0.0001878100000000, -0.0086725000000000 ] - [ 0.0000000000000000, -0.0011229500000000, 0.0091207500000000 ] - [ 0.0001279700000000, -0.0014903600000000, 0.0090937600000000 ] - [ -0.0001279700000000, -0.0014903600000000, 0.0090937600000000 ] - [ 0.0000000000000000, 0.0011229500000000, 0.0091207500000000 ] - [ 0.0001279700000000, 0.0014903600000000, 0.0090937600000000 ] - [ -0.0001279700000000, 0.0014903600000000, 0.0090937600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0083000300000000 ] - [ -0.0001890100000000, 0.0000000000000000, 0.0082719400000000 ] - [ 0.0001890100000000, 0.0000000000000000, 0.0082719400000000 ] - [ 0.0000000000000000, -0.0001833900000000, 0.0089384100000000 ] - [ -0.0001185700000000, -0.0000812000000000, 0.0085457000000000 ] - [ 0.0001185700000000, -0.0000812000000000, 0.0085457000000000 ] - [ 0.0000000000000000, 0.0001833900000000, 0.0089384100000000 ] - [ -0.0001185700000000, 0.0000812000000000, 0.0085457000000000 ] - [ 0.0001185700000000, 0.0000812000000000, 0.0085457000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0089053500000000 ] - [ -0.0001558900000000, 0.0000000000000000, 0.0086545600000000 ] - [ 0.0001558900000000, 0.0000000000000000, 0.0086545600000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0020580500000000, 0.0000123400000000, -0.0000123600000000 ] - [ 0.0016468600000000, 0.0000627000000000, 0.0006426700000000 ] - [ 0.0016396200000000, -0.0000606500000000, -0.0006406400000000 ] - [ -0.0020580500000000, -0.0000123400000000, -0.0000123600000000 ] - [ 0.0016468600000000, -0.0000627000000000, 0.0006426700000000 ] - [ 0.0016396200000000, 0.0000606500000000, -0.0006406400000000 ] - [ -0.0005743000000000, 0.0000000000000000, -0.0000026700000000 ] - [ 0.0002502400000000, 0.0000000000000000, 0.0000083400000000 ] - [ 0.0002498100000000, 0.0000000000000000, -0.0000114200000000 ] - [ -0.0004072900000000, 0.0000004600000000, 0.0000029900000000 ] - [ 0.0004920800000000, 0.0000235400000000, -0.0006495600000000 ] - [ 0.0004930400000000, -0.0000226200000000, 0.0006525000000000 ] - [ -0.0004072900000000, -0.0000004600000000, 0.0000029900000000 ] - [ 0.0004920800000000, -0.0000235400000000, -0.0006495600000000 ] - [ 0.0004930400000000, 0.0000226200000000, 0.0006525000000000 ] - [ -0.0002300100000000, 0.0000000000000000, 0.0000023900000000 ] - [ 0.0000721300000000, 0.0000000000000000, -0.0002436900000000 ] - [ 0.0000728600000000, 0.0000000000000000, 0.0002459300000000 ] - [ 0.0019527000000000, 0.0000000000000000, 0.0048231700000000 ] - [ 0.0010841700000000, 0.0000000000000000, 0.0000034000000000 ] - [ 0.0019467400000000, 0.0000000000000000, -0.0047836300000000 ] - [ -0.0004713700000000, 0.0015728100000000, 0.0009168000000000 ] - [ 0.0003464200000000, 0.0000034600000000, 0.0000003000000000 ] - [ -0.0004662800000000, -0.0015496900000000, -0.0009085400000000 ] - [ -0.0004713700000000, -0.0015728100000000, 0.0009168000000000 ] - [ 0.0003464200000000, -0.0000034600000000, 0.0000003000000000 ] - [ -0.0004662800000000, 0.0015496900000000, -0.0009085400000000 ] - [ -0.0002278300000000, 0.0000000000000000, -0.0001767400000000 ] - [ 0.0003489200000000, 0.0000000000000000, 0.0000014500000000 ] - [ -0.0002270700000000, 0.0000000000000000, 0.0001815700000000 ] - [ -0.0002460500000000, 0.0003170100000000, -0.0004768200000000 ] - [ 0.0006467600000000, 0.0000000500000000, 0.0000011200000000 ] - [ -0.0002455300000000, -0.0003173000000000, 0.0004803800000000 ] - [ -0.0002460500000000, -0.0003170100000000, -0.0004768200000000 ] - [ 0.0006467600000000, -0.0000000500000000, 0.0000011200000000 ] - [ -0.0002455300000000, 0.0003173000000000, 0.0004803800000000 ] - [ 0.0123086300000000, 0.0000000000000000, -0.0110181100000000 ] - [ -0.0010017300000000, 0.0000000000000000, 0.0000090200000000 ] - [ 0.0116981800000000, 0.0000000000000000, 0.0103687200000000 ] - [ -0.0000186700000000, -0.0001655000000000, -0.0002562400000000 ] - [ -0.0001575400000000, 0.0000000600000000, 0.0000003000000000 ] - [ -0.0000168400000000, 0.0001714500000000, 0.0002568700000000 ] - [ -0.0000186700000000, 0.0001655000000000, -0.0002562400000000 ] - [ -0.0001575400000000, -0.0000000600000000, 0.0000003000000000 ] - [ -0.0000168400000000, -0.0001714500000000, 0.0002568700000000 ] - [ 0.0000005100000000, 0.0000000000000000, -0.0000381200000000 ] - [ -0.0000141000000000, 0.0000000000000000, 0.0000001400000000 ] - [ 0.0000010600000000, 0.0000000000000000, 0.0000373600000000 ] - [ 0.0000044800000000, -0.0000112900000000, -0.0000444400000000 ] - [ -0.0000234700000000, -0.0000004800000000, -0.0000002400000000 ] - [ 0.0000067300000000, 0.0000113500000000, 0.0000437000000000 ] - [ 0.0000044800000000, 0.0000112900000000, -0.0000444400000000 ] - [ -0.0000234700000000, 0.0000004800000000, -0.0000002400000000 ] - [ 0.0000067300000000, -0.0000113500000000, 0.0000437000000000 ] - [ -0.0025108600000000, 0.0000425100000000, 0.0000283000000000 ] - [ -0.0004236000000000, 0.0003741100000000, 0.0000790900000000 ] - [ -0.0004351100000000, -0.0003724100000000, -0.0000801900000000 ] - [ -0.0025108600000000, -0.0000425100000000, 0.0000283000000000 ] - [ -0.0004236000000000, -0.0003741100000000, 0.0000790900000000 ] - [ -0.0004351100000000, 0.0003724100000000, -0.0000801900000000 ] - [ 0.0000874700000000, 0.0000000000000000, -0.0000006000000000 ] - [ -0.0000382000000000, 0.0000000000000000, 0.0001134100000000 ] - [ -0.0000432900000000, 0.0000000000000000, -0.0001127800000000 ] - [ 0.0000590000000000, -0.0000003900000000, 0.0000001500000000 ] - [ -0.0000313000000000, 0.0000006700000000, 0.0000255500000000 ] - [ -0.0000308800000000, -0.0000000400000000, -0.0000265800000000 ] - [ 0.0000590000000000, 0.0000003900000000, 0.0000001500000000 ] - [ -0.0000313000000000, -0.0000006700000000, 0.0000255500000000 ] - [ -0.0000308800000000, 0.0000000400000000, -0.0000265800000000 ] - [ 0.0000458200000000, 0.0000000000000000, -0.0000000500000000 ] - [ -0.0000199100000000, 0.0000000000000000, 0.0000165800000000 ] - [ -0.0000180400000000, 0.0000000000000000, -0.0000176200000000 ] - [ -0.0644969200000000, 0.0000000000000000, -0.0137670900000000 ] - [ 0.0101617800000000, 0.0000000000000000, -0.0136030900000000 ] - [ 0.0100367700000000, 0.0000000000000000, -0.0147002100000000 ] - [ -0.0005643000000000, -0.0000082900000000, -0.0141580200000000 ] - [ 0.0002116300000000, 0.0002113400000000, -0.0142036800000000 ] - [ 0.0002120500000000, -0.0002103800000000, -0.0141042400000000 ] - [ -0.0005643000000000, 0.0000082900000000, -0.0141580200000000 ] - [ 0.0002116300000000, -0.0002113400000000, -0.0142036800000000 ] - [ 0.0002120500000000, 0.0002103800000000, -0.0141042400000000 ] - [ -0.0001007200000000, 0.0000000000000000, -0.0141507800000000 ] - [ 0.0000563300000000, 0.0000000000000000, -0.0141854900000000 ] - [ 0.0000565100000000, 0.0000000000000000, -0.0141158000000000 ] - [ -0.0001136700000000, 0.0000007400000000, -0.0141512400000000 ] - [ 0.0000784400000000, -0.0000005500000000, -0.0141750500000000 ] - [ 0.0000781200000000, 0.0000003400000000, -0.0141263700000000 ] - [ -0.0001136700000000, -0.0000007400000000, -0.0141512400000000 ] - [ 0.0000784400000000, 0.0000005500000000, -0.0141750500000000 ] - [ 0.0000781200000000, -0.0000003400000000, -0.0141263700000000 ] - [ -0.0000656900000000, -0.0000541300000000, 0.0142505800000000 ] - [ 0.0001858400000000, -0.0000004800000000, 0.0141522900000000 ] - [ -0.0000661900000000, 0.0000542000000000, 0.0140532400000000 ] - [ -0.0000656900000000, 0.0000541300000000, 0.0142505800000000 ] - [ 0.0001858400000000, 0.0000004800000000, 0.0141522900000000 ] - [ -0.0000661900000000, -0.0000542000000000, 0.0140532400000000 ] - [ -0.0000394800000000, 0.0000000000000000, 0.0142461000000000 ] - [ 0.0001145400000000, 0.0000000000000000, 0.0141522300000000 ] - [ -0.0000377100000000, 0.0000000000000000, 0.0140586400000000 ] - [ 0.0027853200000000, -0.0031043000000000, 0.0102437000000000 ] - [ 0.0004790800000000, 0.0000015200000000, 0.0141540000000000 ] - [ 0.0027883100000000, 0.0030924600000000, 0.0180556900000000 ] - [ 0.0027853200000000, 0.0031043000000000, 0.0102437000000000 ] - [ 0.0004790800000000, -0.0000015200000000, 0.0141540000000000 ] - [ 0.0027883100000000, -0.0030924600000000, 0.0180556900000000 ] - [ -0.0001091900000000, 0.0000000000000000, 0.0142335400000000 ] - [ 0.0002530000000000, 0.0000000000000000, 0.0141517000000000 ] - [ -0.0001058200000000, 0.0000000000000000, 0.0140727600000000 ] - [ 0.0019260200000000, 0.0000000000000000, -0.0084640200000000 ] - [ -0.0009182100000000, 0.0000000000000000, -0.0091495200000000 ] - [ -0.0009197900000000, 0.0000000000000000, -0.0077933900000000 ] - [ 0.0008674100000000, 0.0000007000000000, -0.0084706100000000 ] - [ -0.0004442900000000, -0.0002705200000000, -0.0088431800000000 ] - [ -0.0004430700000000, 0.0002681800000000, -0.0080991300000000 ] - [ 0.0008674100000000, -0.0000007000000000, -0.0084706100000000 ] - [ -0.0004442900000000, 0.0002705200000000, -0.0088431800000000 ] - [ -0.0004430700000000, -0.0002681800000000, -0.0080991300000000 ] - [ 0.0011236100000000, 0.0000000000000000, -0.0084733100000000 ] - [ -0.0009074000000000, 0.0000000000000000, -0.0078402700000000 ] - [ -0.0009126200000000, 0.0000000000000000, -0.0091047200000000 ] - [ 0.0013942400000000, 0.0000026000000000, -0.0084738100000000 ] - [ -0.0009534900000000, -0.0007346400000000, -0.0080288300000000 ] - [ -0.0009572000000000, 0.0007380500000000, -0.0089130400000000 ] - [ 0.0013942400000000, -0.0000026000000000, -0.0084738100000000 ] - [ -0.0009534900000000, 0.0007346400000000, -0.0080288300000000 ] - [ -0.0009572000000000, -0.0007380500000000, -0.0089130400000000 ] - [ 0.0035154500000000, -0.0009210400000000, 0.0093501900000000 ] - [ -0.0016707300000000, 0.0000088200000000, 0.0084679500000000 ] - [ 0.0034199600000000, 0.0008189200000000, 0.0076832900000000 ] - [ 0.0035154500000000, 0.0009210400000000, 0.0093501900000000 ] - [ -0.0016707300000000, -0.0000088200000000, 0.0084679500000000 ] - [ 0.0034199600000000, -0.0008189200000000, 0.0076832900000000 ] - [ 0.0003063300000000, 0.0000000000000000, 0.0087982700000000 ] - [ -0.0006197000000000, 0.0000000000000000, 0.0084716000000000 ] - [ 0.0003004500000000, 0.0000000000000000, 0.0081516800000000 ] - [ 0.0002398100000000, -0.0000732500000000, 0.0089211700000000 ] - [ -0.0004640800000000, -0.0000000800000000, 0.0084673900000000 ] - [ 0.0002394200000000, 0.0000728700000000, 0.0080135600000000 ] - [ 0.0002398100000000, 0.0000732500000000, 0.0089211700000000 ] - [ -0.0004640800000000, 0.0000000800000000, 0.0084673900000000 ] - [ 0.0002394200000000, -0.0000728700000000, 0.0080135600000000 ] - [ 0.0001752400000000, 0.0000000000000000, 0.0086432800000000 ] - [ -0.0003319600000000, 0.0000000000000000, 0.0084677500000000 ] - [ 0.0001752200000000, 0.0000000000000000, 0.0082922400000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0037625500000000, 0.0047966000000000 ] - [ 0.0015450900000000, -0.0000407600000000, 0.0004867600000000 ] - [ -0.0015450900000000, -0.0000407600000000, 0.0004867600000000 ] - [ 0.0000000000000000, 0.0037625500000000, 0.0047966000000000 ] - [ 0.0015450900000000, 0.0000407600000000, 0.0004867600000000 ] - [ -0.0015450900000000, 0.0000407600000000, 0.0004867600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005854900000000 ] - [ 0.0001872100000000, 0.0000000000000000, -0.0002500100000000 ] - [ -0.0001872100000000, 0.0000000000000000, -0.0002500100000000 ] - [ 0.0000000000000000, -0.0001151600000000, 0.0004166700000000 ] - [ -0.0004171000000000, -0.0000716300000000, 0.0009010500000000 ] - [ 0.0004171000000000, -0.0000716300000000, 0.0009010500000000 ] - [ 0.0000000000000000, 0.0001151600000000, 0.0004166700000000 ] - [ -0.0004171000000000, 0.0000716300000000, 0.0009010500000000 ] - [ 0.0004171000000000, 0.0000716300000000, 0.0009010500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002850600000000 ] - [ 0.0000229300000000, 0.0000000000000000, 0.0004598800000000 ] - [ -0.0000229300000000, 0.0000000000000000, 0.0004598800000000 ] - [ 0.0037625500000000, 0.0000000000000000, 0.0047966000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005854900000000 ] - [ -0.0037625500000000, 0.0000000000000000, 0.0047966000000000 ] - [ 0.0000407600000000, 0.0015450900000000, 0.0004867600000000 ] - [ 0.0000000000000000, 0.0001872100000000, -0.0002500100000000 ] - [ -0.0000407600000000, 0.0015450900000000, 0.0004867600000000 ] - [ 0.0000407600000000, -0.0015450900000000, 0.0004867600000000 ] - [ 0.0000000000000000, -0.0001872100000000, -0.0002500100000000 ] - [ -0.0000407600000000, -0.0015450900000000, 0.0004867600000000 ] - [ 0.0001151600000000, 0.0000000000000000, 0.0004166700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002850600000000 ] - [ -0.0001151600000000, 0.0000000000000000, 0.0004166700000000 ] - [ 0.0000716300000000, -0.0004171000000000, 0.0009010500000000 ] - [ 0.0000000000000000, 0.0000229300000000, 0.0004598800000000 ] - [ -0.0000716300000000, -0.0004171000000000, 0.0009010500000000 ] - [ 0.0000716300000000, 0.0004171000000000, 0.0009010500000000 ] - [ 0.0000000000000000, -0.0000229300000000, 0.0004598800000000 ] - [ -0.0000716300000000, 0.0004171000000000, 0.0009010500000000 ] - [ -0.0133055700000000, 0.0000000000000000, 0.0071124300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001293900000000 ] - [ 0.0133055700000000, 0.0000000000000000, 0.0071124300000000 ] - [ 0.0000857500000000, 0.0002377000000000, 0.0002357100000000 ] - [ 0.0000000000000000, 0.0000446900000000, 0.0000827000000000 ] - [ -0.0000857500000000, 0.0002377000000000, 0.0002357100000000 ] - [ 0.0000857500000000, -0.0002377000000000, 0.0002357100000000 ] - [ 0.0000000000000000, -0.0000446900000000, 0.0000827000000000 ] - [ -0.0000857500000000, -0.0002377000000000, 0.0002357100000000 ] - [ 0.0000003800000000, 0.0000000000000000, -0.0000868900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000528400000000 ] - [ -0.0000003800000000, 0.0000000000000000, -0.0000868900000000 ] - [ 0.0000049400000000, -0.0000355700000000, -0.0001047500000000 ] - [ 0.0000000000000000, -0.0000323700000000, -0.0000738900000000 ] - [ -0.0000049400000000, -0.0000355700000000, -0.0001047500000000 ] - [ 0.0000049400000000, 0.0000355700000000, -0.0001047500000000 ] - [ 0.0000000000000000, 0.0000323700000000, -0.0000738900000000 ] - [ -0.0000049400000000, 0.0000355700000000, -0.0001047500000000 ] - [ 0.0000000000000000, 0.0133055700000000, 0.0071124300000000 ] - [ 0.0002377000000000, -0.0000857500000000, 0.0002357100000000 ] - [ -0.0002377000000000, -0.0000857500000000, 0.0002357100000000 ] - [ 0.0000000000000000, -0.0133055700000000, 0.0071124300000000 ] - [ 0.0002377000000000, 0.0000857500000000, 0.0002357100000000 ] - [ -0.0002377000000000, 0.0000857500000000, 0.0002357100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001293900000000 ] - [ 0.0000446900000000, 0.0000000000000000, 0.0000827000000000 ] - [ -0.0000446900000000, 0.0000000000000000, 0.0000827000000000 ] - [ 0.0000000000000000, -0.0000003800000000, -0.0000868900000000 ] - [ -0.0000355700000000, -0.0000049400000000, -0.0001047500000000 ] - [ 0.0000355700000000, -0.0000049400000000, -0.0001047500000000 ] - [ 0.0000000000000000, 0.0000003800000000, -0.0000868900000000 ] - [ -0.0000355700000000, 0.0000049400000000, -0.0001047500000000 ] - [ 0.0000355700000000, 0.0000049400000000, -0.0001047500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000528400000000 ] - [ -0.0000323700000000, 0.0000000000000000, -0.0000738900000000 ] - [ 0.0000323700000000, 0.0000000000000000, -0.0000738900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0880894600000000 ] - [ -0.0005611900000000, 0.0000000000000000, -0.0150907200000000 ] - [ 0.0005611900000000, 0.0000000000000000, -0.0150907200000000 ] - [ 0.0000000000000000, -0.0005611900000000, -0.0150907200000000 ] - [ 0.0000504100000000, 0.0000504100000000, -0.0145240400000000 ] - [ -0.0000504100000000, 0.0000504100000000, -0.0145240400000000 ] - [ 0.0000000000000000, 0.0005611900000000, -0.0150907200000000 ] - [ 0.0000504100000000, -0.0000504100000000, -0.0145240400000000 ] - [ -0.0000504100000000, -0.0000504100000000, -0.0145240400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0139065000000000 ] - [ 0.0000360200000000, 0.0000000000000000, -0.0138943900000000 ] - [ -0.0000360200000000, 0.0000000000000000, -0.0138943900000000 ] - [ 0.0000000000000000, 0.0000360200000000, -0.0138943900000000 ] - [ 0.0000241000000000, 0.0000241000000000, -0.0138540800000000 ] - [ -0.0000241000000000, 0.0000241000000000, -0.0138540800000000 ] - [ 0.0000000000000000, -0.0000360200000000, -0.0138943900000000 ] - [ 0.0000241000000000, -0.0000241000000000, -0.0138540800000000 ] - [ -0.0000241000000000, -0.0000241000000000, -0.0138540800000000 ] - [ 0.0000991300000000, -0.0000991300000000, 0.0145079400000000 ] - [ 0.0000000000000000, -0.0000928600000000, 0.0144410800000000 ] - [ -0.0000991300000000, -0.0000991300000000, 0.0145079400000000 ] - [ 0.0000991300000000, 0.0000991300000000, 0.0145079400000000 ] - [ 0.0000000000000000, 0.0000928600000000, 0.0144410800000000 ] - [ -0.0000991300000000, 0.0000991300000000, 0.0145079400000000 ] - [ 0.0000928600000000, 0.0000000000000000, 0.0144410800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0143530900000000 ] - [ -0.0000928600000000, 0.0000000000000000, 0.0144410800000000 ] - [ -0.0038792400000000, 0.0038792400000000, 0.0192663200000000 ] - [ 0.0000000000000000, -0.0000803400000000, 0.0138430000000000 ] - [ 0.0038792400000000, 0.0038792400000000, 0.0192663200000000 ] - [ -0.0038792400000000, -0.0038792400000000, 0.0192663200000000 ] - [ 0.0000000000000000, 0.0000803400000000, 0.0138430000000000 ] - [ 0.0038792400000000, -0.0038792400000000, 0.0192663200000000 ] - [ 0.0000803400000000, 0.0000000000000000, 0.0138430000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0138963800000000 ] - [ -0.0000803400000000, 0.0000000000000000, 0.0138430000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0108882700000000 ] - [ -0.0009579200000000, 0.0000000000000000, -0.0090673300000000 ] - [ 0.0009579200000000, 0.0000000000000000, -0.0090673300000000 ] - [ 0.0000000000000000, -0.0009579200000000, -0.0090673300000000 ] - [ -0.0003960500000000, -0.0003960500000000, -0.0087865500000000 ] - [ 0.0003960500000000, -0.0003960500000000, -0.0087865500000000 ] - [ 0.0000000000000000, 0.0009579200000000, -0.0090673300000000 ] - [ -0.0003960500000000, 0.0003960500000000, -0.0087865500000000 ] - [ 0.0003960500000000, 0.0003960500000000, -0.0087865500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0084756000000000 ] - [ 0.0007376900000000, 0.0000000000000000, -0.0091496000000000 ] - [ -0.0007376900000000, 0.0000000000000000, -0.0091496000000000 ] - [ 0.0000000000000000, 0.0007376900000000, -0.0091496000000000 ] - [ 0.0009255000000000, 0.0009255000000000, -0.0089335200000000 ] - [ -0.0009255000000000, 0.0009255000000000, -0.0089335200000000 ] - [ 0.0000000000000000, -0.0007376900000000, -0.0091496000000000 ] - [ 0.0009255000000000, -0.0009255000000000, -0.0089335200000000 ] - [ -0.0009255000000000, -0.0009255000000000, -0.0089335200000000 ] - [ 0.0002834900000000, -0.0002834900000000, 0.0101369000000000 ] - [ 0.0000000000000000, -0.0000203700000000, 0.0095203000000000 ] - [ -0.0002834900000000, -0.0002834900000000, 0.0101369000000000 ] - [ 0.0002834900000000, 0.0002834900000000, 0.0101369000000000 ] - [ 0.0000000000000000, 0.0000203700000000, 0.0095203000000000 ] - [ -0.0002834900000000, 0.0002834900000000, 0.0101369000000000 ] - [ 0.0000203700000000, 0.0000000000000000, 0.0095203000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0089334300000000 ] - [ -0.0000203700000000, 0.0000000000000000, 0.0095203000000000 ] - [ -0.0001306600000000, 0.0001306600000000, 0.0074804900000000 ] - [ 0.0000000000000000, 0.0000946600000000, 0.0078123000000000 ] - [ 0.0001306600000000, 0.0001306600000000, 0.0074804900000000 ] - [ -0.0001306600000000, -0.0001306600000000, 0.0074804900000000 ] - [ 0.0000000000000000, -0.0000946600000000, 0.0078123000000000 ] - [ 0.0001306600000000, -0.0001306600000000, 0.0074804900000000 ] - [ -0.0000946600000000, 0.0000000000000000, 0.0078123000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0078122700000000 ] - [ 0.0000946600000000, 0.0000000000000000, 0.0078123000000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0036977500000000, -0.0047234000000000 ] - [ -0.0015367700000000, 0.0000418200000000, -0.0004854800000000 ] - [ 0.0015367700000000, 0.0000418200000000, -0.0004854800000000 ] - [ 0.0000000000000000, -0.0036977500000000, -0.0047234000000000 ] - [ -0.0015367700000000, -0.0000418200000000, -0.0004854800000000 ] - [ 0.0015367700000000, -0.0000418200000000, -0.0004854800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005740200000000 ] - [ -0.0001876600000000, 0.0000000000000000, 0.0002464200000000 ] - [ 0.0001876600000000, 0.0000000000000000, 0.0002464200000000 ] - [ 0.0000000000000000, 0.0001177000000000, -0.0004127600000000 ] - [ 0.0004204700000000, 0.0000741300000000, -0.0009044000000000 ] - [ -0.0004204700000000, 0.0000741300000000, -0.0009044000000000 ] - [ 0.0000000000000000, -0.0001177000000000, -0.0004127600000000 ] - [ 0.0004204700000000, -0.0000741300000000, -0.0009044000000000 ] - [ -0.0004204700000000, -0.0000741300000000, -0.0009044000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002816700000000 ] - [ -0.0000244400000000, 0.0000000000000000, -0.0004605500000000 ] - [ 0.0000244400000000, 0.0000000000000000, -0.0004605500000000 ] - [ -0.0036977500000000, 0.0000000000000000, -0.0047234000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005740200000000 ] - [ 0.0036977500000000, 0.0000000000000000, -0.0047234000000000 ] - [ -0.0000418200000000, -0.0015367700000000, -0.0004854800000000 ] - [ 0.0000000000000000, -0.0001876600000000, 0.0002464200000000 ] - [ 0.0000418200000000, -0.0015367700000000, -0.0004854800000000 ] - [ -0.0000418200000000, 0.0015367700000000, -0.0004854800000000 ] - [ 0.0000000000000000, 0.0001876600000000, 0.0002464200000000 ] - [ 0.0000418200000000, 0.0015367700000000, -0.0004854800000000 ] - [ -0.0001177000000000, 0.0000000000000000, -0.0004127600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002816700000000 ] - [ 0.0001177000000000, 0.0000000000000000, -0.0004127600000000 ] - [ -0.0000741300000000, 0.0004204700000000, -0.0009044000000000 ] - [ 0.0000000000000000, -0.0000244400000000, -0.0004605500000000 ] - [ 0.0000741300000000, 0.0004204700000000, -0.0009044000000000 ] - [ -0.0000741300000000, -0.0004204700000000, -0.0009044000000000 ] - [ 0.0000000000000000, 0.0000244400000000, -0.0004605500000000 ] - [ 0.0000741300000000, -0.0004204700000000, -0.0009044000000000 ] - [ 0.0137652500000000, 0.0000000000000000, -0.0073122800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001326400000000 ] - [ -0.0137652500000000, 0.0000000000000000, -0.0073122800000000 ] - [ -0.0000846000000000, -0.0002362000000000, -0.0002378600000000 ] - [ 0.0000000000000000, -0.0000421900000000, -0.0000835400000000 ] - [ 0.0000846000000000, -0.0002362000000000, -0.0002378600000000 ] - [ -0.0000846000000000, 0.0002362000000000, -0.0002378600000000 ] - [ 0.0000000000000000, 0.0000421900000000, -0.0000835400000000 ] - [ 0.0000846000000000, 0.0002362000000000, -0.0002378600000000 ] - [ -0.0000006500000000, 0.0000000000000000, 0.0000867200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000525700000000 ] - [ 0.0000006500000000, 0.0000000000000000, 0.0000867200000000 ] - [ -0.0000057900000000, 0.0000347200000000, 0.0001047000000000 ] - [ 0.0000000000000000, 0.0000312800000000, 0.0000737000000000 ] - [ 0.0000057900000000, 0.0000347200000000, 0.0001047000000000 ] - [ -0.0000057900000000, -0.0000347200000000, 0.0001047000000000 ] - [ 0.0000000000000000, -0.0000312800000000, 0.0000737000000000 ] - [ 0.0000057900000000, -0.0000347200000000, 0.0001047000000000 ] - [ 0.0000000000000000, -0.0137652500000000, -0.0073122800000000 ] - [ -0.0002362000000000, 0.0000846000000000, -0.0002378600000000 ] - [ 0.0002362000000000, 0.0000846000000000, -0.0002378600000000 ] - [ 0.0000000000000000, 0.0137652500000000, -0.0073122800000000 ] - [ -0.0002362000000000, -0.0000846000000000, -0.0002378600000000 ] - [ 0.0002362000000000, -0.0000846000000000, -0.0002378600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001326400000000 ] - [ -0.0000421900000000, 0.0000000000000000, -0.0000835400000000 ] - [ 0.0000421900000000, 0.0000000000000000, -0.0000835400000000 ] - [ 0.0000000000000000, 0.0000006500000000, 0.0000867200000000 ] - [ 0.0000347200000000, 0.0000057900000000, 0.0001047000000000 ] - [ -0.0000347200000000, 0.0000057900000000, 0.0001047000000000 ] - [ 0.0000000000000000, -0.0000006500000000, 0.0000867200000000 ] - [ 0.0000347200000000, -0.0000057900000000, 0.0001047000000000 ] - [ -0.0000347200000000, -0.0000057900000000, 0.0001047000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000525700000000 ] - [ 0.0000312800000000, 0.0000000000000000, 0.0000737000000000 ] - [ -0.0000312800000000, 0.0000000000000000, 0.0000737000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0604972500000000 ] - [ 0.0005352700000000, 0.0000000000000000, -0.0132373100000000 ] - [ -0.0005352700000000, 0.0000000000000000, -0.0132373100000000 ] - [ 0.0000000000000000, 0.0005352700000000, -0.0132373100000000 ] - [ -0.0000499100000000, -0.0000499100000000, -0.0137958000000000 ] - [ 0.0000499100000000, -0.0000499100000000, -0.0137958000000000 ] - [ 0.0000000000000000, -0.0005352700000000, -0.0132373100000000 ] - [ -0.0000499100000000, 0.0000499100000000, -0.0137958000000000 ] - [ 0.0000499100000000, 0.0000499100000000, -0.0137958000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0144132400000000 ] - [ -0.0000357000000000, 0.0000000000000000, -0.0144258500000000 ] - [ 0.0000357000000000, 0.0000000000000000, -0.0144258500000000 ] - [ 0.0000000000000000, -0.0000357000000000, -0.0144258500000000 ] - [ -0.0000240900000000, -0.0000240900000000, -0.0144658000000000 ] - [ 0.0000240900000000, -0.0000240900000000, -0.0144658000000000 ] - [ 0.0000000000000000, 0.0000357000000000, -0.0144258500000000 ] - [ -0.0000240900000000, 0.0000240900000000, -0.0144658000000000 ] - [ 0.0000240900000000, 0.0000240900000000, -0.0144658000000000 ] - [ -0.0000986200000000, 0.0000986200000000, 0.0138123900000000 ] - [ 0.0000000000000000, 0.0000925200000000, 0.0138794600000000 ] - [ 0.0000986200000000, 0.0000986200000000, 0.0138123900000000 ] - [ -0.0000986200000000, -0.0000986200000000, 0.0138123900000000 ] - [ 0.0000000000000000, -0.0000925200000000, 0.0138794600000000 ] - [ 0.0000986200000000, -0.0000986200000000, 0.0138123900000000 ] - [ -0.0000925200000000, 0.0000000000000000, 0.0138794600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0139658000000000 ] - [ 0.0000925200000000, 0.0000000000000000, 0.0138794600000000 ] - [ 0.0039318500000000, -0.0039318500000000, 0.0089968400000000 ] - [ 0.0000000000000000, 0.0000815900000000, 0.0144786900000000 ] - [ -0.0039318500000000, -0.0039318500000000, 0.0089968400000000 ] - [ 0.0039318500000000, 0.0039318500000000, 0.0089968400000000 ] - [ 0.0000000000000000, -0.0000815900000000, 0.0144786900000000 ] - [ -0.0039318500000000, 0.0039318500000000, 0.0089968400000000 ] - [ -0.0000815900000000, 0.0000000000000000, 0.0144786900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0144250000000000 ] - [ 0.0000815900000000, 0.0000000000000000, 0.0144786900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0060420100000000 ] - [ 0.0009533000000000, 0.0000000000000000, -0.0078723400000000 ] - [ -0.0009533000000000, 0.0000000000000000, -0.0078723400000000 ] - [ 0.0000000000000000, 0.0009533000000000, -0.0078723400000000 ] - [ 0.0003945400000000, 0.0003945400000000, -0.0081559100000000 ] - [ -0.0003945400000000, 0.0003945400000000, -0.0081559100000000 ] - [ 0.0000000000000000, -0.0009533000000000, -0.0078723400000000 ] - [ 0.0003945400000000, -0.0003945400000000, -0.0081559100000000 ] - [ -0.0003945400000000, -0.0003945400000000, -0.0081559100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0084696600000000 ] - [ -0.0007379800000000, 0.0000000000000000, -0.0078001700000000 ] - [ 0.0007379800000000, 0.0000000000000000, -0.0078001700000000 ] - [ 0.0000000000000000, -0.0007379800000000, -0.0078001700000000 ] - [ -0.0009301400000000, -0.0009301400000000, -0.0080128300000000 ] - [ 0.0009301400000000, -0.0009301400000000, -0.0080128300000000 ] - [ 0.0000000000000000, 0.0007379800000000, -0.0078001700000000 ] - [ -0.0009301400000000, 0.0009301400000000, -0.0080128300000000 ] - [ 0.0009301400000000, 0.0009301400000000, -0.0080128300000000 ] - [ -0.0002354300000000, 0.0002354300000000, 0.0068170900000000 ] - [ 0.0000000000000000, 0.0000132600000000, 0.0074339300000000 ] - [ 0.0002354300000000, 0.0002354300000000, 0.0068170900000000 ] - [ -0.0002354300000000, -0.0002354300000000, 0.0068170900000000 ] - [ 0.0000000000000000, -0.0000132600000000, 0.0074339300000000 ] - [ 0.0002354300000000, -0.0002354300000000, 0.0068170900000000 ] - [ -0.0000132600000000, 0.0000000000000000, 0.0074339300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0080136100000000 ] - [ 0.0000132600000000, 0.0000000000000000, 0.0074339300000000 ] - [ 0.0001329700000000, -0.0001329700000000, 0.0094644500000000 ] - [ 0.0000000000000000, -0.0000969500000000, 0.0091312200000000 ] - [ -0.0001329700000000, -0.0001329700000000, 0.0094644500000000 ] - [ 0.0001329700000000, 0.0001329700000000, 0.0094644500000000 ] - [ 0.0000000000000000, 0.0000969500000000, 0.0091312200000000 ] - [ -0.0001329700000000, 0.0001329700000000, 0.0094644500000000 ] - [ 0.0000969500000000, 0.0000000000000000, 0.0091312200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0091335000000000 ] - [ -0.0000969500000000, 0.0000000000000000, 0.0091312200000000 ]- atom: 109 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0153484200000000, 0.0000185600000000, 0.0000227900000000 ] - [ -0.0043342300000000, 0.0034827600000000, 0.0009911500000000 ] - [ -0.0043134000000000, -0.0034529200000000, -0.0009861500000000 ] - [ 0.0153484200000000, -0.0000185600000000, 0.0000227900000000 ] - [ -0.0043342300000000, -0.0034827600000000, 0.0009911500000000 ] - [ -0.0043134000000000, 0.0034529200000000, -0.0009861500000000 ] - [ 0.0010134900000000, 0.0000000000000000, -0.0000064800000000 ] - [ -0.0004912600000000, 0.0000000000000000, 0.0005568700000000 ] - [ -0.0004949000000000, 0.0000000000000000, -0.0005588300000000 ] - [ 0.0002159700000000, -0.0000003000000000, 0.0000011500000000 ] - [ -0.0001115600000000, 0.0000652000000000, -0.0003422400000000 ] - [ -0.0001104700000000, -0.0000645800000000, 0.0003447100000000 ] - [ 0.0002159700000000, 0.0000003000000000, 0.0000011500000000 ] - [ -0.0001115600000000, -0.0000652000000000, -0.0003422400000000 ] - [ -0.0001104700000000, 0.0000645800000000, 0.0003447100000000 ] - [ 0.0001929100000000, 0.0000000000000000, -0.0000015500000000 ] - [ -0.0001387600000000, 0.0000000000000000, -0.0004800900000000 ] - [ -0.0001348700000000, 0.0000000000000000, 0.0004840500000000 ] - [ 0.0287077100000000, 0.0000000000000000, -0.0143115100000000 ] - [ -0.0048310800000000, 0.0000000000000000, 0.0000038600000000 ] - [ 0.0268641900000000, 0.0000000000000000, 0.0130675200000000 ] - [ 0.0013022500000000, -0.0015344700000000, -0.0003953800000000 ] - [ -0.0019528800000000, -0.0000046000000000, -0.0000029100000000 ] - [ 0.0012799800000000, 0.0015363600000000, 0.0003878000000000 ] - [ 0.0013022500000000, 0.0015344700000000, -0.0003953800000000 ] - [ -0.0019528800000000, 0.0000046000000000, -0.0000029100000000 ] - [ 0.0012799800000000, -0.0015363600000000, 0.0003878000000000 ] - [ 0.0001776400000000, 0.0000000000000000, -0.0000029100000000 ] - [ -0.0004268800000000, 0.0000000000000000, 0.0000015100000000 ] - [ 0.0001782000000000, 0.0000000000000000, 0.0000050000000000 ] - [ 0.0001381800000000, -0.0000205100000000, 0.0000198300000000 ] - [ -0.0003539500000000, -0.0000011900000000, 0.0000036200000000 ] - [ 0.0001400900000000, 0.0000214000000000, -0.0000192300000000 ] - [ 0.0001381800000000, 0.0000205100000000, 0.0000198300000000 ] - [ -0.0003539500000000, 0.0000011900000000, 0.0000036200000000 ] - [ 0.0001400900000000, -0.0000214000000000, -0.0000192300000000 ] - [ -0.0004320800000000, 0.0000000000000000, 0.0001816600000000 ] - [ 0.0007621300000000, 0.0000000000000000, -0.0000014400000000 ] - [ -0.0004333300000000, 0.0000000000000000, -0.0001849700000000 ] - [ -0.0001346500000000, -0.0000032100000000, 0.0000819400000000 ] - [ 0.0002633200000000, -0.0000002100000000, 0.0000000000000000 ] - [ -0.0001327300000000, 0.0000038900000000, -0.0000826300000000 ] - [ -0.0001346500000000, 0.0000032100000000, 0.0000819400000000 ] - [ 0.0002633200000000, 0.0000002100000000, 0.0000000000000000 ] - [ -0.0001327300000000, -0.0000038900000000, -0.0000826300000000 ] - [ -0.0000668400000000, 0.0000000000000000, 0.0011207100000000 ] - [ 0.0004064000000000, 0.0000000000000000, -0.0000008300000000 ] - [ -0.0000782700000000, 0.0000000000000000, -0.0011116600000000 ] - [ -0.0003079300000000, 0.0015351300000000, 0.0014938200000000 ] - [ 0.0002587000000000, -0.0000005100000000, 0.0000006300000000 ] - [ -0.0003156000000000, -0.0015299700000000, -0.0014925500000000 ] - [ -0.0003079300000000, -0.0015351300000000, 0.0014938200000000 ] - [ 0.0002587000000000, 0.0000005100000000, 0.0000006300000000 ] - [ -0.0003156000000000, 0.0015299700000000, -0.0014925500000000 ] - [ 0.0000853600000000, 0.0000006800000000, 0.0000010000000000 ] - [ -0.0000347400000000, -0.0000945600000000, -0.0001193300000000 ] - [ -0.0000359300000000, 0.0000938800000000, 0.0001189100000000 ] - [ 0.0000853600000000, -0.0000006800000000, 0.0000010000000000 ] - [ -0.0000347400000000, 0.0000945600000000, -0.0001193300000000 ] - [ -0.0000359300000000, -0.0000938800000000, 0.0001189100000000 ] - [ 0.0001078800000000, 0.0000000000000000, 0.0000002900000000 ] - [ -0.0000435300000000, 0.0000000000000000, -0.0001564000000000 ] - [ -0.0000447800000000, 0.0000000000000000, 0.0001555700000000 ] - [ -0.0017180300000000, 0.0000027600000000, -0.0000032100000000 ] - [ 0.0009882800000000, 0.0001542600000000, 0.0001220600000000 ] - [ 0.0010005900000000, -0.0001610100000000, -0.0001346000000000 ] - [ -0.0017180300000000, -0.0000027600000000, -0.0000032100000000 ] - [ 0.0009882800000000, -0.0001542600000000, 0.0001220600000000 ] - [ 0.0010005900000000, 0.0001610100000000, -0.0001346000000000 ] - [ -0.0007177700000000, 0.0000000000000000, -0.0000009100000000 ] - [ 0.0003649600000000, 0.0000000000000000, -0.0001881200000000 ] - [ 0.0003678500000000, 0.0000000000000000, 0.0001883800000000 ] - [ 0.0019273600000000, 0.0000000000000000, -0.0141508500000000 ] - [ -0.0009209700000000, 0.0000000000000000, -0.0132006800000000 ] - [ -0.0009188300000000, 0.0000000000000000, -0.0151110800000000 ] - [ 0.0008669200000000, -0.0000017400000000, -0.0141587100000000 ] - [ -0.0004436700000000, -0.0002701300000000, -0.0137635000000000 ] - [ -0.0004435100000000, 0.0002677100000000, -0.0145535500000000 ] - [ 0.0008669200000000, 0.0000017400000000, -0.0141587100000000 ] - [ -0.0004436700000000, 0.0002701300000000, -0.0137635000000000 ] - [ -0.0004435100000000, -0.0002677100000000, -0.0145535500000000 ] - [ 0.0011237600000000, 0.0000000000000000, -0.0141645400000000 ] - [ -0.0009121500000000, 0.0000000000000000, -0.0148992100000000 ] - [ -0.0009083600000000, 0.0000000000000000, -0.0134237800000000 ] - [ 0.0013942900000000, -0.0000066400000000, -0.0141677900000000 ] - [ -0.0009515400000000, -0.0007337900000000, -0.0150828200000000 ] - [ -0.0009592200000000, 0.0007389000000000, -0.0132275800000000 ] - [ 0.0013942900000000, 0.0000066400000000, -0.0141677900000000 ] - [ -0.0009515400000000, 0.0007337900000000, -0.0150828200000000 ] - [ -0.0009592200000000, -0.0007389000000000, -0.0132275800000000 ] - [ 0.0035389100000000, -0.0009222700000000, 0.0144683800000000 ] - [ -0.0016709800000000, 0.0000036800000000, 0.0141549500000000 ] - [ 0.0033967600000000, 0.0008182300000000, 0.0139487400000000 ] - [ 0.0035389100000000, 0.0009222700000000, 0.0144683800000000 ] - [ -0.0016709800000000, -0.0000036800000000, 0.0141549500000000 ] - [ 0.0033967600000000, -0.0008182300000000, 0.0139487400000000 ] - [ 0.0003051000000000, 0.0000000000000000, 0.0141777700000000 ] - [ -0.0006193900000000, 0.0000000000000000, 0.0141581900000000 ] - [ 0.0003020700000000, 0.0000000000000000, 0.0141447800000000 ] - [ 0.0002399400000000, -0.0000723400000000, 0.0140278700000000 ] - [ -0.0004640900000000, 0.0000003000000000, 0.0141603700000000 ] - [ 0.0002395700000000, 0.0000726700000000, 0.0142913300000000 ] - [ 0.0002399400000000, 0.0000723400000000, 0.0140278700000000 ] - [ -0.0004640900000000, -0.0000003000000000, 0.0141603700000000 ] - [ 0.0002395700000000, -0.0000726700000000, 0.0142913300000000 ] - [ 0.0001754900000000, 0.0000000000000000, 0.0140633700000000 ] - [ -0.0003325600000000, 0.0000000000000000, 0.0141603500000000 ] - [ 0.0001753200000000, 0.0000000000000000, 0.0142554600000000 ] - [ -0.1279653300000000, 0.0000000000000000, -0.0072807800000000 ] - [ 0.0222141000000000, 0.0000000000000000, -0.0036963700000000 ] - [ 0.0219374900000000, 0.0000000000000000, -0.0131922900000000 ] - [ -0.0045344200000000, -0.0000419900000000, -0.0084875700000000 ] - [ 0.0022855300000000, 0.0020608500000000, -0.0088162000000000 ] - [ 0.0022909500000000, -0.0020509700000000, -0.0081148000000000 ] - [ -0.0045344200000000, 0.0000419900000000, -0.0084875700000000 ] - [ 0.0022855300000000, -0.0020608500000000, -0.0088162000000000 ] - [ 0.0022909500000000, 0.0020509700000000, -0.0081148000000000 ] - [ -0.0001232000000000, 0.0000000000000000, -0.0084729500000000 ] - [ 0.0000617400000000, 0.0000000000000000, -0.0082612300000000 ] - [ 0.0000621900000000, 0.0000000000000000, -0.0086853400000000 ] - [ -0.0000607500000000, -0.0000004100000000, -0.0084718800000000 ] - [ 0.0000402500000000, -0.0000559600000000, -0.0082719600000000 ] - [ 0.0000389800000000, 0.0000568800000000, -0.0086752100000000 ] - [ -0.0000607500000000, 0.0000004100000000, -0.0084718800000000 ] - [ 0.0000402500000000, 0.0000559600000000, -0.0082719600000000 ] - [ 0.0000389800000000, -0.0000568800000000, -0.0086752100000000 ] - [ 0.0004156600000000, -0.0162083100000000, -0.0031118900000000 ] - [ 0.0037944300000000, -0.0000049400000000, 0.0084665400000000 ] - [ 0.0004712800000000, 0.0160536200000000, 0.0199567600000000 ] - [ 0.0004156600000000, 0.0162083100000000, -0.0031118900000000 ] - [ 0.0037944300000000, 0.0000049400000000, 0.0084665400000000 ] - [ 0.0004712800000000, -0.0160536200000000, 0.0199567600000000 ] - [ -0.0005029900000000, 0.0000000000000000, 0.0076782000000000 ] - [ 0.0010392000000000, 0.0000000000000000, 0.0084724300000000 ] - [ -0.0004976600000000, 0.0000000000000000, 0.0092720100000000 ] - [ -0.0006414600000000, -0.0000880700000000, 0.0091341200000000 ] - [ 0.0013508300000000, -0.0000023000000000, 0.0084692300000000 ] - [ -0.0006437000000000, 0.0000893300000000, 0.0078064900000000 ] - [ -0.0006414600000000, 0.0000880700000000, 0.0091341200000000 ] - [ 0.0013508300000000, 0.0000023000000000, 0.0084692300000000 ] - [ -0.0006437000000000, -0.0000893300000000, 0.0078064900000000 ] - [ -0.0007576700000000, 0.0000000000000000, 0.0090572000000000 ] - [ 0.0016615000000000, 0.0000000000000000, 0.0084680500000000 ] - [ -0.0007671700000000, 0.0000000000000000, 0.0078865800000000 ]- atom: 109 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0161236800000000, 0.0237028600000000 ] - [ 0.0023381100000000, -0.0018390600000000, 0.0025697700000000 ] - [ -0.0023381100000000, -0.0018390600000000, 0.0025697700000000 ] - [ 0.0000000000000000, -0.0161236800000000, 0.0237028600000000 ] - [ 0.0023381100000000, 0.0018390600000000, 0.0025697700000000 ] - [ -0.0023381100000000, 0.0018390600000000, 0.0025697700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005896600000000 ] - [ 0.0005804200000000, 0.0000000000000000, 0.0015110700000000 ] - [ -0.0005804200000000, 0.0000000000000000, 0.0015110700000000 ] - [ 0.0000000000000000, 0.0001980800000000, -0.0018950200000000 ] - [ -0.0000371400000000, 0.0001127200000000, -0.0017043300000000 ] - [ 0.0000371400000000, 0.0001127200000000, -0.0017043300000000 ] - [ 0.0000000000000000, -0.0001980800000000, -0.0018950200000000 ] - [ -0.0000371400000000, -0.0001127200000000, -0.0017043300000000 ] - [ 0.0000371400000000, -0.0001127200000000, -0.0017043300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018270800000000 ] - [ -0.0000433900000000, 0.0000000000000000, -0.0016103800000000 ] - [ 0.0000433900000000, 0.0000000000000000, -0.0016103800000000 ] - [ -0.0161236800000000, 0.0000000000000000, 0.0237028600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005896600000000 ] - [ 0.0161236800000000, 0.0000000000000000, 0.0237028600000000 ] - [ 0.0018390600000000, 0.0023381100000000, 0.0025697700000000 ] - [ 0.0000000000000000, 0.0005804200000000, 0.0015110700000000 ] - [ -0.0018390600000000, 0.0023381100000000, 0.0025697700000000 ] - [ 0.0018390600000000, -0.0023381100000000, 0.0025697700000000 ] - [ 0.0000000000000000, -0.0005804200000000, 0.0015110700000000 ] - [ -0.0018390600000000, -0.0023381100000000, 0.0025697700000000 ] - [ -0.0001980800000000, 0.0000000000000000, -0.0018950200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018270800000000 ] - [ 0.0001980800000000, 0.0000000000000000, -0.0018950200000000 ] - [ -0.0001127200000000, -0.0000371400000000, -0.0017043300000000 ] - [ 0.0000000000000000, -0.0000433900000000, -0.0016103800000000 ] - [ 0.0001127200000000, -0.0000371400000000, -0.0017043300000000 ] - [ -0.0001127200000000, 0.0000371400000000, -0.0017043300000000 ] - [ 0.0000000000000000, 0.0000433900000000, -0.0016103800000000 ] - [ 0.0001127200000000, 0.0000371400000000, -0.0017043300000000 ] - [ -0.0007936000000000, 0.0000000000000000, 0.0004641400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004361500000000 ] - [ 0.0007936000000000, 0.0000000000000000, 0.0004641400000000 ] - [ -0.0001770500000000, -0.0000204200000000, 0.0000755500000000 ] - [ 0.0000000000000000, 0.0000217000000000, 0.0001850300000000 ] - [ 0.0001770500000000, -0.0000204200000000, 0.0000755500000000 ] - [ -0.0001770500000000, 0.0000204200000000, 0.0000755500000000 ] - [ 0.0000000000000000, -0.0000217000000000, 0.0001850300000000 ] - [ 0.0001770500000000, 0.0000204200000000, 0.0000755500000000 ] - [ 0.0005894400000000, 0.0000000000000000, 0.0006411200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001736100000000 ] - [ -0.0005894400000000, 0.0000000000000000, 0.0006411200000000 ] - [ -0.0000438500000000, 0.0006485100000000, 0.0006206800000000 ] - [ 0.0000000000000000, 0.0000978900000000, -0.0002003000000000 ] - [ 0.0000438500000000, 0.0006485100000000, 0.0006206800000000 ] - [ -0.0000438500000000, -0.0006485100000000, 0.0006206800000000 ] - [ 0.0000000000000000, -0.0000978900000000, -0.0002003000000000 ] - [ 0.0000438500000000, -0.0006485100000000, 0.0006206800000000 ] - [ 0.0000000000000000, 0.0007936000000000, 0.0004641400000000 ] - [ -0.0000204200000000, 0.0001770500000000, 0.0000755500000000 ] - [ 0.0000204200000000, 0.0001770500000000, 0.0000755500000000 ] - [ 0.0000000000000000, -0.0007936000000000, 0.0004641400000000 ] - [ -0.0000204200000000, -0.0001770500000000, 0.0000755500000000 ] - [ 0.0000204200000000, -0.0001770500000000, 0.0000755500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004361500000000 ] - [ 0.0000217000000000, 0.0000000000000000, 0.0001850300000000 ] - [ -0.0000217000000000, 0.0000000000000000, 0.0001850300000000 ] - [ 0.0000000000000000, -0.0005894400000000, 0.0006411200000000 ] - [ 0.0006485100000000, 0.0000438500000000, 0.0006206800000000 ] - [ -0.0006485100000000, 0.0000438500000000, 0.0006206800000000 ] - [ 0.0000000000000000, 0.0005894400000000, 0.0006411200000000 ] - [ 0.0006485100000000, -0.0000438500000000, 0.0006206800000000 ] - [ -0.0006485100000000, -0.0000438500000000, 0.0006206800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001736100000000 ] - [ 0.0000978900000000, 0.0000000000000000, -0.0002003000000000 ] - [ -0.0000978900000000, 0.0000000000000000, -0.0002003000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0165528900000000 ] - [ 0.0006793500000000, 0.0000000000000000, -0.0147620800000000 ] - [ -0.0006793500000000, 0.0000000000000000, -0.0147620800000000 ] - [ 0.0000000000000000, 0.0006793500000000, -0.0147620800000000 ] - [ 0.0003732900000000, 0.0003732900000000, -0.0144779500000000 ] - [ -0.0003732900000000, 0.0003732900000000, -0.0144779500000000 ] - [ 0.0000000000000000, -0.0006793500000000, -0.0147620800000000 ] - [ 0.0003732900000000, -0.0003732900000000, -0.0144779500000000 ] - [ -0.0003732900000000, -0.0003732900000000, -0.0144779500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0141660500000000 ] - [ -0.0006366100000000, 0.0000000000000000, -0.0148382600000000 ] - [ 0.0006366100000000, 0.0000000000000000, -0.0148382600000000 ] - [ 0.0000000000000000, -0.0006366100000000, -0.0148382600000000 ] - [ -0.0004421300000000, -0.0004421300000000, -0.0146186100000000 ] - [ 0.0004421300000000, -0.0004421300000000, -0.0146186100000000 ] - [ 0.0000000000000000, 0.0006366100000000, -0.0148382600000000 ] - [ -0.0004421300000000, 0.0004421300000000, -0.0146186100000000 ] - [ 0.0004421300000000, 0.0004421300000000, -0.0146186100000000 ] - [ 0.0008395100000000, -0.0008395100000000, 0.0158294700000000 ] - [ 0.0000000000000000, -0.0003245000000000, 0.0152068000000000 ] - [ -0.0008395100000000, -0.0008395100000000, 0.0158294700000000 ] - [ 0.0008395100000000, 0.0008395100000000, 0.0158294700000000 ] - [ 0.0000000000000000, 0.0003245000000000, 0.0152068000000000 ] - [ -0.0008395100000000, 0.0008395100000000, 0.0158294700000000 ] - [ 0.0003245000000000, 0.0000000000000000, 0.0152068000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0146220200000000 ] - [ -0.0003245000000000, 0.0000000000000000, 0.0152068000000000 ] - [ 0.0004509600000000, -0.0004509600000000, 0.0131684500000000 ] - [ 0.0000000000000000, -0.0001760700000000, 0.0134975100000000 ] - [ -0.0004509600000000, -0.0004509600000000, 0.0131684500000000 ] - [ 0.0004509600000000, 0.0004509600000000, 0.0131684500000000 ] - [ 0.0000000000000000, 0.0001760700000000, 0.0134975100000000 ] - [ -0.0004509600000000, 0.0004509600000000, 0.0131684500000000 ] - [ 0.0001760700000000, 0.0000000000000000, 0.0134975100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0134966200000000 ] - [ -0.0001760700000000, 0.0000000000000000, 0.0134975100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1261692100000000 ] - [ -0.0047930800000000, 0.0000000000000000, -0.0163331300000000 ] - [ 0.0047930800000000, 0.0000000000000000, -0.0163331300000000 ] - [ 0.0000000000000000, -0.0047930800000000, -0.0163331300000000 ] - [ 0.0003499100000000, 0.0003499100000000, -0.0123877300000000 ] - [ -0.0003499100000000, 0.0003499100000000, -0.0123877300000000 ] - [ 0.0000000000000000, 0.0047930800000000, -0.0163331300000000 ] - [ 0.0003499100000000, -0.0003499100000000, -0.0123877300000000 ] - [ -0.0003499100000000, -0.0003499100000000, -0.0123877300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0055819500000000 ] - [ -0.0002096800000000, 0.0000000000000000, -0.0060824400000000 ] - [ 0.0002096800000000, 0.0000000000000000, -0.0060824400000000 ] - [ 0.0000000000000000, -0.0002096800000000, -0.0060824400000000 ] - [ -0.0001995300000000, -0.0001995300000000, -0.0064002900000000 ] - [ 0.0001995300000000, -0.0001995300000000, -0.0064002900000000 ] - [ 0.0000000000000000, 0.0002096800000000, -0.0060824400000000 ] - [ -0.0001995300000000, 0.0001995300000000, -0.0064002900000000 ] - [ 0.0001995300000000, 0.0001995300000000, -0.0064002900000000 ] - [ -0.0115044200000000, 0.0115044200000000, 0.0166129900000000 ] - [ 0.0000000000000000, 0.0007993000000000, 0.0077482600000000 ] - [ 0.0115044200000000, 0.0115044200000000, 0.0166129900000000 ] - [ -0.0115044200000000, -0.0115044200000000, 0.0166129900000000 ] - [ 0.0000000000000000, -0.0007993000000000, 0.0077482600000000 ] - [ 0.0115044200000000, -0.0115044200000000, 0.0166129900000000 ] - [ -0.0007993000000000, 0.0000000000000000, 0.0077482600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0071433700000000 ] - [ 0.0007993000000000, 0.0000000000000000, 0.0077482600000000 ] - [ 0.0006685400000000, -0.0006685400000000, 0.0111138100000000 ] - [ 0.0000000000000000, -0.0005898100000000, 0.0105475900000000 ] - [ -0.0006685400000000, -0.0006685400000000, 0.0111138100000000 ] - [ 0.0006685400000000, 0.0006685400000000, 0.0111138100000000 ] - [ 0.0000000000000000, 0.0005898100000000, 0.0105475900000000 ] - [ -0.0006685400000000, 0.0006685400000000, 0.0111138100000000 ] - [ 0.0005898100000000, 0.0000000000000000, 0.0105475900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101727800000000 ] - [ -0.0005898100000000, 0.0000000000000000, 0.0105475900000000 ]- atom: 109 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0171220700000000, -0.0241867300000000 ] - [ -0.0023207800000000, 0.0018196000000000, -0.0025569300000000 ] - [ 0.0023207800000000, 0.0018196000000000, -0.0025569300000000 ] - [ 0.0000000000000000, 0.0171220700000000, -0.0241867300000000 ] - [ -0.0023207800000000, -0.0018196000000000, -0.0025569300000000 ] - [ 0.0023207800000000, -0.0018196000000000, -0.0025569300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005984900000000 ] - [ -0.0005757100000000, 0.0000000000000000, -0.0015067400000000 ] - [ 0.0005757100000000, 0.0000000000000000, -0.0015067400000000 ] - [ 0.0000000000000000, -0.0001942100000000, 0.0018853900000000 ] - [ 0.0000341800000000, -0.0001108800000000, 0.0016990700000000 ] - [ -0.0000341800000000, -0.0001108800000000, 0.0016990700000000 ] - [ 0.0000000000000000, 0.0001942100000000, 0.0018853900000000 ] - [ 0.0000341800000000, 0.0001108800000000, 0.0016990700000000 ] - [ -0.0000341800000000, 0.0001108800000000, 0.0016990700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018177700000000 ] - [ 0.0000412500000000, 0.0000000000000000, 0.0016054900000000 ] - [ -0.0000412500000000, 0.0000000000000000, 0.0016054900000000 ] - [ 0.0171220700000000, 0.0000000000000000, -0.0241867300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005984900000000 ] - [ -0.0171220700000000, 0.0000000000000000, -0.0241867300000000 ] - [ -0.0018196000000000, -0.0023207800000000, -0.0025569300000000 ] - [ 0.0000000000000000, -0.0005757100000000, -0.0015067400000000 ] - [ 0.0018196000000000, -0.0023207800000000, -0.0025569300000000 ] - [ -0.0018196000000000, 0.0023207800000000, -0.0025569300000000 ] - [ 0.0000000000000000, 0.0005757100000000, -0.0015067400000000 ] - [ 0.0018196000000000, 0.0023207800000000, -0.0025569300000000 ] - [ 0.0001942100000000, 0.0000000000000000, 0.0018853900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018177700000000 ] - [ -0.0001942100000000, 0.0000000000000000, 0.0018853900000000 ] - [ 0.0001108800000000, 0.0000341800000000, 0.0016990700000000 ] - [ 0.0000000000000000, 0.0000412500000000, 0.0016054900000000 ] - [ -0.0001108800000000, 0.0000341800000000, 0.0016990700000000 ] - [ 0.0001108800000000, -0.0000341800000000, 0.0016990700000000 ] - [ 0.0000000000000000, -0.0000412500000000, 0.0016054900000000 ] - [ -0.0001108800000000, -0.0000341800000000, 0.0016990700000000 ] - [ 0.0008023500000000, 0.0000000000000000, -0.0004655300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004333700000000 ] - [ -0.0008023500000000, 0.0000000000000000, -0.0004655300000000 ] - [ 0.0001754200000000, 0.0000218300000000, -0.0000730600000000 ] - [ 0.0000000000000000, -0.0000200800000000, -0.0001828500000000 ] - [ -0.0001754200000000, 0.0000218300000000, -0.0000730600000000 ] - [ 0.0001754200000000, -0.0000218300000000, -0.0000730600000000 ] - [ 0.0000000000000000, 0.0000200800000000, -0.0001828500000000 ] - [ -0.0001754200000000, -0.0000218300000000, -0.0000730600000000 ] - [ -0.0005637500000000, 0.0000000000000000, -0.0006071500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001712200000000 ] - [ 0.0005637500000000, 0.0000000000000000, -0.0006071500000000 ] - [ 0.0000464400000000, -0.0006483800000000, -0.0006196600000000 ] - [ 0.0000000000000000, -0.0000985000000000, 0.0001984700000000 ] - [ -0.0000464400000000, -0.0006483800000000, -0.0006196600000000 ] - [ 0.0000464400000000, 0.0006483800000000, -0.0006196600000000 ] - [ 0.0000000000000000, 0.0000985000000000, 0.0001984700000000 ] - [ -0.0000464400000000, 0.0006483800000000, -0.0006196600000000 ] - [ 0.0000000000000000, -0.0008023500000000, -0.0004655300000000 ] - [ 0.0000218300000000, -0.0001754200000000, -0.0000730600000000 ] - [ -0.0000218300000000, -0.0001754200000000, -0.0000730600000000 ] - [ 0.0000000000000000, 0.0008023500000000, -0.0004655300000000 ] - [ 0.0000218300000000, 0.0001754200000000, -0.0000730600000000 ] - [ -0.0000218300000000, 0.0001754200000000, -0.0000730600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004333700000000 ] - [ -0.0000200800000000, 0.0000000000000000, -0.0001828500000000 ] - [ 0.0000200800000000, 0.0000000000000000, -0.0001828500000000 ] - [ 0.0000000000000000, 0.0005637500000000, -0.0006071500000000 ] - [ -0.0006483800000000, -0.0000464400000000, -0.0006196600000000 ] - [ 0.0006483800000000, -0.0000464400000000, -0.0006196600000000 ] - [ 0.0000000000000000, -0.0005637500000000, -0.0006071500000000 ] - [ -0.0006483800000000, 0.0000464400000000, -0.0006196600000000 ] - [ 0.0006483800000000, 0.0000464400000000, -0.0006196600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001712200000000 ] - [ -0.0000985000000000, 0.0000000000000000, 0.0001984700000000 ] - [ 0.0000985000000000, 0.0000000000000000, 0.0001984700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0117055600000000 ] - [ -0.0006762200000000, 0.0000000000000000, -0.0135658700000000 ] - [ 0.0006762200000000, 0.0000000000000000, -0.0135658700000000 ] - [ 0.0000000000000000, -0.0006762200000000, -0.0135658700000000 ] - [ -0.0003707700000000, -0.0003707700000000, -0.0138456900000000 ] - [ 0.0003707700000000, -0.0003707700000000, -0.0138456900000000 ] - [ 0.0000000000000000, 0.0006762200000000, -0.0135658700000000 ] - [ -0.0003707700000000, 0.0003707700000000, -0.0138456900000000 ] - [ 0.0003707700000000, 0.0003707700000000, -0.0138456900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0141588900000000 ] - [ 0.0006281800000000, 0.0000000000000000, -0.0134886800000000 ] - [ -0.0006281800000000, 0.0000000000000000, -0.0134886800000000 ] - [ 0.0000000000000000, 0.0006281800000000, -0.0134886800000000 ] - [ 0.0004418700000000, 0.0004418700000000, -0.0136973600000000 ] - [ -0.0004418700000000, 0.0004418700000000, -0.0136973600000000 ] - [ 0.0000000000000000, -0.0006281800000000, -0.0134886800000000 ] - [ 0.0004418700000000, -0.0004418700000000, -0.0136973600000000 ] - [ -0.0004418700000000, -0.0004418700000000, -0.0136973600000000 ] - [ -0.0008268900000000, 0.0008268900000000, 0.0125093700000000 ] - [ 0.0000000000000000, 0.0003216200000000, 0.0131197900000000 ] - [ 0.0008268900000000, 0.0008268900000000, 0.0125093700000000 ] - [ -0.0008268900000000, -0.0008268900000000, 0.0125093700000000 ] - [ 0.0000000000000000, -0.0003216200000000, 0.0131197900000000 ] - [ 0.0008268900000000, -0.0008268900000000, 0.0125093700000000 ] - [ -0.0003216200000000, 0.0000000000000000, 0.0131197900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0136998200000000 ] - [ 0.0003216200000000, 0.0000000000000000, 0.0131197900000000 ] - [ -0.0004572000000000, 0.0004572000000000, 0.0151526700000000 ] - [ 0.0000000000000000, 0.0001749200000000, 0.0148149400000000 ] - [ 0.0004572000000000, 0.0004572000000000, 0.0151526700000000 ] - [ -0.0004572000000000, -0.0004572000000000, 0.0151526700000000 ] - [ 0.0000000000000000, -0.0001749200000000, 0.0148149400000000 ] - [ 0.0004572000000000, -0.0004572000000000, 0.0151526700000000 ] - [ -0.0001749200000000, 0.0000000000000000, 0.0148149400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0148155100000000 ] - [ 0.0001749200000000, 0.0000000000000000, 0.0148149400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1110716400000000 ] - [ 0.0047027400000000, 0.0000000000000000, -0.0006704000000000 ] - [ -0.0047027400000000, 0.0000000000000000, -0.0006704000000000 ] - [ 0.0000000000000000, 0.0047027400000000, -0.0006704000000000 ] - [ -0.0003514400000000, -0.0003514400000000, -0.0045767800000000 ] - [ 0.0003514400000000, -0.0003514400000000, -0.0045767800000000 ] - [ 0.0000000000000000, -0.0047027400000000, -0.0006704000000000 ] - [ -0.0003514400000000, 0.0003514400000000, -0.0045767800000000 ] - [ 0.0003514400000000, 0.0003514400000000, -0.0045767800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0113507300000000 ] - [ 0.0002141900000000, 0.0000000000000000, -0.0108514100000000 ] - [ -0.0002141900000000, 0.0000000000000000, -0.0108514100000000 ] - [ 0.0000000000000000, 0.0002141900000000, -0.0108514100000000 ] - [ 0.0002035200000000, 0.0002035200000000, -0.0105345700000000 ] - [ -0.0002035200000000, 0.0002035200000000, -0.0105345700000000 ] - [ 0.0000000000000000, -0.0002141900000000, -0.0108514100000000 ] - [ 0.0002035200000000, -0.0002035200000000, -0.0105345700000000 ] - [ -0.0002035200000000, -0.0002035200000000, -0.0105345700000000 ] - [ 0.0115641600000000, -0.0115641600000000, 0.0003382700000000 ] - [ 0.0000000000000000, -0.0007946300000000, 0.0092010500000000 ] - [ -0.0115641600000000, -0.0115641600000000, 0.0003382700000000 ] - [ 0.0115641600000000, 0.0115641600000000, 0.0003382700000000 ] - [ 0.0000000000000000, 0.0007946300000000, 0.0092010500000000 ] - [ -0.0115641600000000, 0.0115641600000000, 0.0003382700000000 ] - [ 0.0007946300000000, 0.0000000000000000, 0.0092010500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0097982200000000 ] - [ -0.0007946300000000, 0.0000000000000000, 0.0092010500000000 ] - [ -0.0006592900000000, 0.0006592900000000, 0.0058388200000000 ] - [ 0.0000000000000000, 0.0005809600000000, 0.0064023500000000 ] - [ 0.0006592900000000, 0.0006592900000000, 0.0058388200000000 ] - [ -0.0006592900000000, -0.0006592900000000, 0.0058388200000000 ] - [ 0.0000000000000000, -0.0005809600000000, 0.0064023500000000 ] - [ 0.0006592900000000, -0.0006592900000000, 0.0058388200000000 ] - [ -0.0005809600000000, 0.0000000000000000, 0.0064023500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0067729200000000 ] - [ 0.0005809600000000, 0.0000000000000000, 0.0064023500000000 ]