# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/19cb21ee-8dae-4324-a984-968340bc0e59/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 ZnS / P6_3mc (186) / materials id 10281](https://mdr.nims.go.jp/datasets/8668a32b-fe85-4e07-a833-0800da10b6ff) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P6_3mc" number: 186 Hall_symbol: "P 6c -2c"supercell_matrix:- [ 4, 0, 0 ]- [ 0, 4, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 3.784317810000000, 0.000000000000000, 0.000000000000000 ] # a - [ -1.892158900000000, 3.277315350000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.387734249999999 ] # c points: - symbol: S # 1 coordinates: [ 0.333333330000000, 0.666666670000000, 0.062424050000000 ] mass: 32.065000 - symbol: S # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.562424050000000 ] mass: 32.065000 - symbol: S # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.312778440000000 ] mass: 32.065000 - symbol: S # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.812778440000000 ] mass: 32.065000 - symbol: Zn # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.249938060000000 ] mass: 65.380000 - symbol: Zn # 6 coordinates: [ 0.666666670000000, 0.333333330000000, 0.749938060000000 ] mass: 65.380000 - symbol: Zn # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.499859470000000 ] mass: 65.380000 - symbol: Zn # 8 coordinates: [ 0.000000000000000, 0.000000000000000, 0.999859470000000 ] mass: 65.380000 reciprocal_lattice: # without 2pi - [ 0.264248419452911, 0.152563896141016, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.305127793088328, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.080725012324187 ] # c*unit_cell: lattice: - [ 3.784317810000000, 0.000000000000000, 0.000000000000000 ] # a - [ -1.892158900000000, 3.277315350000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.387734249999999 ] # c points: - symbol: S # 1 coordinates: [ 0.333333330000000, 0.666666670000000, 0.062424050000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.562424050000000 ] mass: 32.065000 reduced_to: 2 - symbol: S # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.312778440000000 ] mass: 32.065000 reduced_to: 3 - symbol: S # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.812778440000000 ] mass: 32.065000 reduced_to: 4 - symbol: Zn # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.249938060000000 ] mass: 65.380000 reduced_to: 5 - symbol: Zn # 6 coordinates: [ 0.666666670000000, 0.333333330000000, 0.749938060000000 ] mass: 65.380000 reduced_to: 6 - symbol: Zn # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.499859470000000 ] mass: 65.380000 reduced_to: 7 - symbol: Zn # 8 coordinates: [ 0.000000000000000, 0.000000000000000, 0.999859470000000 ] mass: 65.380000 reduced_to: 8supercell: lattice: - [ 15.137271240000000, 0.000000000000000, 0.000000000000000 ] # a - [ -7.568635600000000, 13.109261399999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.387734249999999 ] # c points: - symbol: S # 1 coordinates: [ 0.083333332500000, 0.166666667500000, 0.062424050000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 2 coordinates: [ 0.333333332500000, 0.166666667500000, 0.062424050000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 3 coordinates: [ 0.583333332500000, 0.166666667500000, 0.062424050000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 4 coordinates: [ 0.833333332500000, 0.166666667500000, 0.062424050000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 5 coordinates: [ 0.083333332500000, 0.416666667500000, 0.062424050000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 6 coordinates: [ 0.333333332500000, 0.416666667500000, 0.062424050000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 7 coordinates: [ 0.583333332500000, 0.416666667500000, 0.062424050000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 8 coordinates: [ 0.833333332500000, 0.416666667500000, 0.062424050000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 9 coordinates: [ 0.083333332500000, 0.666666667500000, 0.062424050000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 10 coordinates: [ 0.333333332500000, 0.666666667500000, 0.062424050000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 11 coordinates: [ 0.583333332500000, 0.666666667500000, 0.062424050000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 12 coordinates: [ 0.833333332500000, 0.666666667500000, 0.062424050000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 13 coordinates: [ 0.083333332500000, 0.916666667500000, 0.062424050000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 14 coordinates: [ 0.333333332500000, 0.916666667500000, 0.062424050000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 15 coordinates: [ 0.583333332500000, 0.916666667500000, 0.062424050000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 16 coordinates: [ 0.833333332500000, 0.916666667500000, 0.062424050000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 17 coordinates: [ 0.166666667500000, 0.083333332500000, 0.562424050000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 18 coordinates: [ 0.416666667500000, 0.083333332500000, 0.562424050000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 19 coordinates: [ 0.666666667500000, 0.083333332500000, 0.562424050000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 20 coordinates: [ 0.916666667500000, 0.083333332500000, 0.562424050000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 21 coordinates: [ 0.166666667500000, 0.333333332500000, 0.562424050000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 22 coordinates: [ 0.416666667500000, 0.333333332500000, 0.562424050000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 23 coordinates: [ 0.666666667500000, 0.333333332500000, 0.562424050000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 24 coordinates: [ 0.916666667500000, 0.333333332500000, 0.562424050000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 25 coordinates: [ 0.166666667500000, 0.583333332500000, 0.562424050000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 26 coordinates: [ 0.416666667500000, 0.583333332500000, 0.562424050000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 27 coordinates: [ 0.666666667500000, 0.583333332500000, 0.562424050000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 28 coordinates: [ 0.916666667500000, 0.583333332500000, 0.562424050000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 29 coordinates: [ 0.166666667500000, 0.833333332500000, 0.562424050000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 30 coordinates: [ 0.416666667500000, 0.833333332500000, 0.562424050000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 31 coordinates: [ 0.666666667500000, 0.833333332500000, 0.562424050000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 32 coordinates: [ 0.916666667500000, 0.833333332500000, 0.562424050000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 33 coordinates: [ 0.000000000000000, 0.000000000000000, 0.312778440000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 34 coordinates: [ 0.250000000000000, 0.000000000000000, 0.312778440000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 35 coordinates: [ 0.500000000000000, 0.000000000000000, 0.312778440000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 36 coordinates: [ 0.750000000000000, 0.000000000000000, 0.312778440000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 37 coordinates: [ 0.000000000000000, 0.250000000000000, 0.312778440000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 38 coordinates: [ 0.250000000000000, 0.250000000000000, 0.312778440000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 39 coordinates: [ 0.500000000000000, 0.250000000000000, 0.312778440000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 40 coordinates: [ 0.750000000000000, 0.250000000000000, 0.312778440000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 41 coordinates: [ 0.000000000000000, 0.500000000000000, 0.312778440000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 42 coordinates: [ 0.250000000000000, 0.500000000000000, 0.312778440000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 43 coordinates: [ 0.500000000000000, 0.500000000000000, 0.312778440000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 44 coordinates: [ 0.750000000000000, 0.500000000000000, 0.312778440000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 45 coordinates: [ 0.000000000000000, 0.750000000000000, 0.312778440000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 46 coordinates: [ 0.250000000000000, 0.750000000000000, 0.312778440000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 47 coordinates: [ 0.500000000000000, 0.750000000000000, 0.312778440000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 48 coordinates: [ 0.750000000000000, 0.750000000000000, 0.312778440000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 49 coordinates: [ 0.000000000000000, 0.000000000000000, 0.812778440000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 50 coordinates: [ 0.250000000000000, 0.000000000000000, 0.812778440000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 51 coordinates: [ 0.500000000000000, 0.000000000000000, 0.812778440000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 52 coordinates: [ 0.750000000000000, 0.000000000000000, 0.812778440000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 53 coordinates: [ 0.000000000000000, 0.250000000000000, 0.812778440000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 54 coordinates: [ 0.250000000000000, 0.250000000000000, 0.812778440000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 55 coordinates: [ 0.500000000000000, 0.250000000000000, 0.812778440000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 56 coordinates: [ 0.750000000000000, 0.250000000000000, 0.812778440000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 57 coordinates: [ 0.000000000000000, 0.500000000000000, 0.812778440000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 58 coordinates: [ 0.250000000000000, 0.500000000000000, 0.812778440000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 59 coordinates: [ 0.500000000000000, 0.500000000000000, 0.812778440000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 60 coordinates: [ 0.750000000000000, 0.500000000000000, 0.812778440000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 61 coordinates: [ 0.000000000000000, 0.750000000000000, 0.812778440000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 62 coordinates: [ 0.250000000000000, 0.750000000000000, 0.812778440000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 63 coordinates: [ 0.500000000000000, 0.750000000000000, 0.812778440000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 64 coordinates: [ 0.750000000000000, 0.750000000000000, 0.812778440000000 ] mass: 32.065000 reduced_to: 49 - symbol: Zn # 65 coordinates: [ 0.083333332500000, 0.166666667500000, 0.249938060000000 ] mass: 65.380000 reduced_to: 65 - symbol: Zn # 66 coordinates: [ 0.333333332500000, 0.166666667500000, 0.249938060000000 ] mass: 65.380000 reduced_to: 65 - symbol: Zn # 67 coordinates: [ 0.583333332500000, 0.166666667500000, 0.249938060000000 ] mass: 65.380000 reduced_to: 65 - symbol: Zn # 68 coordinates: [ 0.833333332500000, 0.166666667500000, 0.249938060000000 ] mass: 65.380000 reduced_to: 65 - symbol: Zn # 69 coordinates: [ 0.083333332500000, 0.416666667500000, 0.249938060000000 ] mass: 65.380000 reduced_to: 65 - symbol: Zn # 70 coordinates: [ 0.333333332500000, 0.416666667500000, 0.249938060000000 ] mass: 65.380000 reduced_to: 65 - symbol: Zn # 71 coordinates: [ 0.583333332500000, 0.416666667500000, 0.249938060000000 ] mass: 65.380000 reduced_to: 65 - symbol: Zn # 72 coordinates: [ 0.833333332500000, 0.416666667500000, 0.249938060000000 ] mass: 65.380000 reduced_to: 65 - symbol: Zn # 73 coordinates: [ 0.083333332500000, 0.666666667500000, 0.249938060000000 ] mass: 65.380000 reduced_to: 65 - symbol: Zn # 74 coordinates: [ 0.333333332500000, 0.666666667500000, 0.249938060000000 ] mass: 65.380000 reduced_to: 65 - symbol: Zn # 75 coordinates: [ 0.583333332500000, 0.666666667500000, 0.249938060000000 ] mass: 65.380000 reduced_to: 65 - symbol: Zn # 76 coordinates: [ 0.833333332500000, 0.666666667500000, 0.249938060000000 ] mass: 65.380000 reduced_to: 65 - symbol: Zn # 77 coordinates: [ 0.083333332500000, 0.916666667500000, 0.249938060000000 ] mass: 65.380000 reduced_to: 65 - symbol: Zn # 78 coordinates: [ 0.333333332500000, 0.916666667500000, 0.249938060000000 ] mass: 65.380000 reduced_to: 65 - symbol: Zn # 79 coordinates: [ 0.583333332500000, 0.916666667500000, 0.249938060000000 ] mass: 65.380000 reduced_to: 65 - symbol: Zn # 80 coordinates: [ 0.833333332500000, 0.916666667500000, 0.249938060000000 ] mass: 65.380000 reduced_to: 65 - symbol: Zn # 81 coordinates: [ 0.166666667500000, 0.083333332500000, 0.749938060000000 ] mass: 65.380000 reduced_to: 81 - symbol: Zn # 82 coordinates: [ 0.416666667500000, 0.083333332500000, 0.749938060000000 ] mass: 65.380000 reduced_to: 81 - symbol: Zn # 83 coordinates: [ 0.666666667500000, 0.083333332500000, 0.749938060000000 ] mass: 65.380000 reduced_to: 81 - symbol: Zn # 84 coordinates: [ 0.916666667500000, 0.083333332500000, 0.749938060000000 ] mass: 65.380000 reduced_to: 81 - symbol: Zn # 85 coordinates: [ 0.166666667500000, 0.333333332500000, 0.749938060000000 ] mass: 65.380000 reduced_to: 81 - symbol: Zn # 86 coordinates: [ 0.416666667500000, 0.333333332500000, 0.749938060000000 ] mass: 65.380000 reduced_to: 81 - symbol: Zn # 87 coordinates: [ 0.666666667500000, 0.333333332500000, 0.749938060000000 ] mass: 65.380000 reduced_to: 81 - symbol: Zn # 88 coordinates: [ 0.916666667500000, 0.333333332500000, 0.749938060000000 ] mass: 65.380000 reduced_to: 81 - symbol: Zn # 89 coordinates: [ 0.166666667500000, 0.583333332500000, 0.749938060000000 ] mass: 65.380000 reduced_to: 81 - symbol: Zn # 90 coordinates: [ 0.416666667500000, 0.583333332500000, 0.749938060000000 ] mass: 65.380000 reduced_to: 81 - symbol: Zn # 91 coordinates: [ 0.666666667500000, 0.583333332500000, 0.749938060000000 ] mass: 65.380000 reduced_to: 81 - symbol: Zn # 92 coordinates: [ 0.916666667500000, 0.583333332500000, 0.749938060000000 ] mass: 65.380000 reduced_to: 81 - symbol: Zn # 93 coordinates: [ 0.166666667500000, 0.833333332500000, 0.749938060000000 ] mass: 65.380000 reduced_to: 81 - symbol: Zn # 94 coordinates: [ 0.416666667500000, 0.833333332500000, 0.749938060000000 ] mass: 65.380000 reduced_to: 81 - symbol: Zn # 95 coordinates: [ 0.666666667500000, 0.833333332500000, 0.749938060000000 ] mass: 65.380000 reduced_to: 81 - symbol: Zn # 96 coordinates: [ 0.916666667500000, 0.833333332500000, 0.749938060000000 ] mass: 65.380000 reduced_to: 81 - symbol: Zn # 97 coordinates: [ 0.000000000000000, 0.000000000000000, 0.499859470000000 ] mass: 65.380000 reduced_to: 97 - symbol: Zn # 98 coordinates: [ 0.250000000000000, 0.000000000000000, 0.499859470000000 ] mass: 65.380000 reduced_to: 97 - symbol: Zn # 99 coordinates: [ 0.500000000000000, 0.000000000000000, 0.499859470000000 ] mass: 65.380000 reduced_to: 97 - symbol: Zn # 100 coordinates: [ 0.750000000000000, 0.000000000000000, 0.499859470000000 ] mass: 65.380000 reduced_to: 97 - symbol: Zn # 101 coordinates: [ 0.000000000000000, 0.250000000000000, 0.499859470000000 ] mass: 65.380000 reduced_to: 97 - symbol: Zn # 102 coordinates: [ 0.250000000000000, 0.250000000000000, 0.499859470000000 ] mass: 65.380000 reduced_to: 97 - symbol: Zn # 103 coordinates: [ 0.500000000000000, 0.250000000000000, 0.499859470000000 ] mass: 65.380000 reduced_to: 97 - symbol: Zn # 104 coordinates: [ 0.750000000000000, 0.250000000000000, 0.499859470000000 ] mass: 65.380000 reduced_to: 97 - symbol: Zn # 105 coordinates: [ 0.000000000000000, 0.500000000000000, 0.499859470000000 ] mass: 65.380000 reduced_to: 97 - symbol: Zn # 106 coordinates: [ 0.250000000000000, 0.500000000000000, 0.499859470000000 ] mass: 65.380000 reduced_to: 97 - symbol: Zn # 107 coordinates: [ 0.500000000000000, 0.500000000000000, 0.499859470000000 ] mass: 65.380000 reduced_to: 97 - symbol: Zn # 108 coordinates: [ 0.750000000000000, 0.500000000000000, 0.499859470000000 ] mass: 65.380000 reduced_to: 97 - symbol: Zn # 109 coordinates: [ 0.000000000000000, 0.750000000000000, 0.499859470000000 ] mass: 65.380000 reduced_to: 97 - symbol: Zn # 110 coordinates: [ 0.250000000000000, 0.750000000000000, 0.499859470000000 ] mass: 65.380000 reduced_to: 97 - symbol: Zn # 111 coordinates: [ 0.500000000000000, 0.750000000000000, 0.499859470000000 ] mass: 65.380000 reduced_to: 97 - symbol: Zn # 112 coordinates: [ 0.750000000000000, 0.750000000000000, 0.499859470000000 ] mass: 65.380000 reduced_to: 97 - symbol: Zn # 113 coordinates: [ 0.000000000000000, 0.000000000000000, 0.999859470000000 ] mass: 65.380000 reduced_to: 113 - symbol: Zn # 114 coordinates: [ 0.250000000000000, 0.000000000000000, 0.999859470000000 ] mass: 65.380000 reduced_to: 113 - symbol: Zn # 115 coordinates: [ 0.500000000000000, 0.000000000000000, 0.999859470000000 ] mass: 65.380000 reduced_to: 113 - symbol: Zn # 116 coordinates: [ 0.750000000000000, 0.000000000000000, 0.999859470000000 ] mass: 65.380000 reduced_to: 113 - symbol: Zn # 117 coordinates: [ 0.000000000000000, 0.250000000000000, 0.999859470000000 ] mass: 65.380000 reduced_to: 113 - symbol: Zn # 118 coordinates: [ 0.250000000000000, 0.250000000000000, 0.999859470000000 ] mass: 65.380000 reduced_to: 113 - symbol: Zn # 119 coordinates: [ 0.500000000000000, 0.250000000000000, 0.999859470000000 ] mass: 65.380000 reduced_to: 113 - symbol: Zn # 120 coordinates: [ 0.750000000000000, 0.250000000000000, 0.999859470000000 ] mass: 65.380000 reduced_to: 113 - symbol: Zn # 121 coordinates: [ 0.000000000000000, 0.500000000000000, 0.999859470000000 ] mass: 65.380000 reduced_to: 113 - symbol: Zn # 122 coordinates: [ 0.250000000000000, 0.500000000000000, 0.999859470000000 ] mass: 65.380000 reduced_to: 113 - symbol: Zn # 123 coordinates: [ 0.500000000000000, 0.500000000000000, 0.999859470000000 ] mass: 65.380000 reduced_to: 113 - symbol: Zn # 124 coordinates: [ 0.750000000000000, 0.500000000000000, 0.999859470000000 ] mass: 65.380000 reduced_to: 113 - symbol: Zn # 125 coordinates: [ 0.000000000000000, 0.750000000000000, 0.999859470000000 ] mass: 65.380000 reduced_to: 113 - symbol: Zn # 126 coordinates: [ 0.250000000000000, 0.750000000000000, 0.999859470000000 ] mass: 65.380000 reduced_to: 113 - symbol: Zn # 127 coordinates: [ 0.500000000000000, 0.750000000000000, 0.999859470000000 ] mass: 65.380000 reduced_to: 113 - symbol: Zn # 128 coordinates: [ 0.750000000000000, 0.750000000000000, 0.999859470000000 ] mass: 65.380000 reduced_to: 113born_effective_charge:- # 1 (S) - [ -1.971882060000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -1.971882060000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.989424930000000 ]- # 2 (S) - [ -1.971882060000000, -0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -1.971882060000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.989424930000000 ]- # 3 (S) - [ -1.967887530000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -1.967887540000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.977734700000000 ]- # 4 (S) - [ -1.967887537500000, -0.000000004330127, 0.000000000000000 ] - [ -0.000000004330127, -1.967887532500000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.977734700000000 ]- # 5 (Zn) - [ 1.976688820000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.976688820000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.968886890000000 ]- # 6 (Zn) - [ 1.976688820000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.976688820000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.968886890000000 ]- # 7 (Zn) - [ 1.963080780000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.963080780000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.998272740000000 ]- # 8 (Zn) - [ 1.963080780000001, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.963080780000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.998272740000000 ]dielectric_constant: - [ 6.327701180000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 6.327701180000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 6.176304550000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0982137400000000, -0.0010735800000000, -0.0006092300000000 ] - [ 0.0084751500000000, 0.0008423500000000, -0.0019471200000000 ] - [ 0.0021802900000000, 0.0000033200000000, -0.0013679700000000 ] - [ 0.0083340000000000, -0.0008396200000000, -0.0007870200000000 ] - [ 0.0018321600000000, -0.0029422300000000, -0.0007255700000000 ] - [ 0.0018386100000000, 0.0029616800000000, -0.0020157100000000 ] - [ 0.0003700400000000, 0.0002844600000000, -0.0013938500000000 ] - [ 0.0003705300000000, -0.0002759800000000, -0.0013442100000000 ] - [ 0.0004267700000000, -0.0010097600000000, -0.0014010700000000 ] - [ -0.0001141300000000, 0.0000019500000000, -0.0013674900000000 ] - [ 0.0004261100000000, 0.0010156200000000, -0.0013350300000000 ] - [ -0.0001145900000000, 0.0000026200000000, -0.0013689100000000 ] - [ 0.0018340100000000, -0.0046374800000000, -0.0013012400000000 ] - [ 0.0003690900000000, -0.0002771700000000, -0.0013934700000000 ] - [ 0.0003714300000000, 0.0002818700000000, -0.0013428100000000 ] - [ 0.0018355500000000, 0.0046306800000000, -0.0014311400000000 ] - [ -0.0001723600000000, -0.0002071900000000, -0.0013436400000000 ] - [ 0.0001770900000000, -0.0000607700000000, -0.0013691400000000 ] - [ 0.0001775100000000, 0.0000527400000000, -0.0013675000000000 ] - [ -0.0001713700000000, 0.0001995300000000, -0.0013925400000000 ] - [ -0.0005236700000000, -0.0000020300000000, -0.0013668200000000 ] - [ 0.0003847700000000, 0.0002598200000000, -0.0013174700000000 ] - [ 0.0003421800000000, -0.0000017600000000, -0.0013689100000000 ] - [ 0.0003850800000000, -0.0002657600000000, -0.0014175800000000 ] - [ -0.0000768500000000, -0.0000959500000000, -0.0013601900000000 ] - [ -0.0000798800000000, 0.0000874500000000, -0.0013769000000000 ] - [ 0.0000933900000000, 0.0001388300000000, -0.0013713900000000 ] - [ 0.0000919700000000, -0.0001484800000000, -0.0013649700000000 ] - [ 0.0000191400000000, -0.0001505400000000, -0.0013604300000000 ] - [ 0.0000732800000000, -0.0000039500000000, -0.0013681900000000 ] - [ 0.0000181400000000, 0.0001443000000000, -0.0013754300000000 ] - [ -0.0000691100000000, -0.0000012300000000, -0.0013693800000000 ] - [ -0.0011971700000000, 0.0000023600000000, -0.0008292000000000 ] - [ 0.0001111500000000, -0.0002335800000000, -0.0004831300000000 ] - [ 0.0002473300000000, -0.0000043800000000, -0.0008105100000000 ] - [ 0.0001112300000000, 0.0002249100000000, -0.0011364100000000 ] - [ 0.0013621600000000, -0.0014770000000000, -0.0045805400000000 ] - [ 0.0013689000000000, 0.0014814000000000, 0.0029716300000000 ] - [ 0.0003957700000000, 0.0000462000000000, -0.0006099400000000 ] - [ 0.0003960800000000, -0.0000538000000000, -0.0010092600000000 ] - [ 0.0000829300000000, -0.0003040900000000, -0.0008524400000000 ] - [ -0.0002863800000000, -0.0000029400000000, -0.0008104300000000 ] - [ 0.0000817800000000, 0.0002972500000000, -0.0007692300000000 ] - [ 0.0001640700000000, -0.0000035200000000, -0.0008089900000000 ] - [ -0.0000645200000000, -0.0001494800000000, -0.0006519100000000 ] - [ 0.0000545000000000, -0.0001155600000000, -0.0007871000000000 ] - [ 0.0000530000000000, 0.0001078400000000, -0.0008341900000000 ] - [ -0.0000644900000000, 0.0001436100000000, -0.0009697900000000 ] - [ -0.0008868700000000, 0.0000064900000000, -0.0008113900000000 ] - [ 0.0000850800000000, -0.0002517300000000, -0.0010708000000000 ] - [ 0.0002254300000000, 0.0000023600000000, -0.0008104800000000 ] - [ 0.0000864000000000, 0.0002573500000000, -0.0005498500000000 ] - [ 0.0017827600000000, -0.0015350600000000, 0.0015928800000000 ] - [ 0.0017867700000000, 0.0015494200000000, -0.0032227500000000 ] - [ 0.0004497400000000, 0.0000982100000000, -0.0009806400000000 ] - [ 0.0004507100000000, -0.0000916500000000, -0.0006407400000000 ] - [ 0.0001100100000000, -0.0002660000000000, -0.0007627700000000 ] - [ -0.0003547500000000, 0.0000020800000000, -0.0008099700000000 ] - [ 0.0001090800000000, 0.0002712400000000, -0.0008564200000000 ] - [ 0.0001815300000000, 0.0000034400000000, -0.0008096700000000 ] - [ -0.0000354000000000, -0.0002056900000000, -0.0009336400000000 ] - [ 0.0000197300000000, -0.0001165200000000, -0.0008298400000000 ] - [ 0.0000195800000000, 0.0001211100000000, -0.0007904300000000 ] - [ -0.0000346300000000, 0.0002106400000000, -0.0006869400000000 ] - [ 0.0041663500000000, 0.0000258700000000, 0.0010597100000000 ] - [ -0.0005572400000000, 0.0002016200000000, -0.0000864600000000 ] - [ -0.0005232100000000, 0.0000094500000000, 0.0011535500000000 ] - [ -0.0005579900000000, -0.0001816400000000, 0.0023918400000000 ] - [ 0.0001953600000000, 0.0007304500000000, 0.0015050900000000 ] - [ 0.0001954400000000, -0.0007148200000000, 0.0008104900000000 ] - [ -0.0002007800000000, -0.0001748200000000, 0.0010320500000000 ] - [ -0.0002010300000000, 0.0001919900000000, 0.0012786900000000 ] - [ -0.0000277000000000, 0.0002951700000000, 0.0011173800000000 ] - [ -0.0001102700000000, 0.0000093800000000, 0.0011562800000000 ] - [ -0.0000282100000000, -0.0002768600000000, 0.0011939300000000 ] - [ 0.0001169000000000, 0.0000087700000000, 0.0011552700000000 ] - [ 0.0002812100000000, 0.0002033900000000, 0.0002628900000000 ] - [ -0.0003210800000000, 0.0001312800000000, 0.0010371800000000 ] - [ -0.0003212200000000, -0.0001122200000000, 0.0012739400000000 ] - [ 0.0002763200000000, -0.0001864200000000, 0.0020465300000000 ] - [ 0.0003017000000000, 0.0005733100000000, 0.0013861500000000 ] - [ -0.0002650200000000, 0.0001312000000000, 0.0012145000000000 ] - [ -0.0002653200000000, -0.0001476500000000, 0.0010977400000000 ] - [ 0.0003023100000000, -0.0005956400000000, 0.0009271100000000 ] - [ 0.0013143100000000, -0.0000069800000000, 0.0011564300000000 ] - [ -0.0007033400000000, -0.0004379200000000, 0.0010221000000000 ] - [ -0.0005571500000000, -0.0000087300000000, 0.0011556900000000 ] - [ -0.0007087300000000, 0.0004224000000000, 0.0012875600000000 ] - [ 0.0002229900000000, 0.0001420900000000, 0.0011314500000000 ] - [ 0.0002237800000000, -0.0001586200000000, 0.0011794200000000 ] - [ -0.0002000300000000, -0.0002145700000000, 0.0011723700000000 ] - [ -0.0002010900000000, 0.0001975000000000, 0.0011391800000000 ] - [ -0.0000117600000000, 0.0002696600000000, 0.0011900900000000 ] - [ -0.0000365300000000, -0.0000081300000000, 0.0011556800000000 ] - [ -0.0000113600000000, -0.0002866000000000, 0.0011213600000000 ] - [ 0.0000393000000000, -0.0000080900000000, 0.0011569000000000 ] - [ 0.0002250600000000, 0.0000111700000000, 0.0010273200000000 ] - [ -0.0000606100000000, 0.0000564600000000, 0.0007976400000000 ] - [ -0.0002797100000000, 0.0000092900000000, 0.0010223900000000 ] - [ -0.0000620800000000, -0.0000379100000000, 0.0012466800000000 ] - [ 0.0005178300000000, -0.0001591300000000, 0.0020296900000000 ] - [ 0.0005191500000000, 0.0001797200000000, 0.0000133000000000 ] - [ -0.0003418000000000, 0.0000742600000000, 0.0008759800000000 ] - [ -0.0003426500000000, -0.0000554600000000, 0.0011680800000000 ] - [ -0.0000039900000000, 0.0003841900000000, 0.0010982200000000 ] - [ 0.0000205400000000, 0.0000097100000000, 0.0010225600000000 ] - [ -0.0000041900000000, -0.0003656200000000, 0.0009471100000000 ] - [ -0.0000575300000000, 0.0000088500000000, 0.0010225300000000 ] - [ 0.0000960100000000, 0.0000818300000000, 0.0009520200000000 ] - [ -0.0001272600000000, 0.0000973300000000, 0.0009942700000000 ] - [ -0.0001278600000000, -0.0000785100000000, 0.0010508000000000 ] - [ 0.0000948300000000, -0.0000641800000000, 0.0010932600000000 ] - [ 0.0031613200000000, 0.0000932500000000, 0.0010319300000000 ] - [ -0.0005775500000000, 0.0011027600000000, 0.0015987500000000 ] - [ -0.0004161500000000, -0.0000064700000000, 0.0010234000000000 ] - [ -0.0005790700000000, -0.0011141600000000, 0.0004494400000000 ] - [ 0.0305271000000000, -0.0156954500000000, 0.0123809300000000 ] - [ 0.0317462900000000, 0.0166139000000000, -0.0109986100000000 ] - [ -0.0016924500000000, -0.0011911400000000, 0.0018254100000000 ] - [ -0.0016912300000000, 0.0011598400000000, 0.0002293900000000 ] - [ -0.0007124400000000, 0.0004572900000000, 0.0007639300000000 ] - [ 0.0013415300000000, -0.0000093700000000, 0.0010215100000000 ] - [ -0.0007080900000000, -0.0004728500000000, 0.0012812700000000 ] - [ -0.0005545000000000, -0.0000088300000000, 0.0010229100000000 ] - [ 0.0002194500000000, 0.0011965500000000, 0.0015629100000000 ] - [ 0.0000600200000000, 0.0002670000000000, 0.0010943800000000 ] - [ 0.0000607800000000, -0.0002832800000000, 0.0009513500000000 ] - [ 0.0002202300000000, -0.0012134800000000, 0.0004844000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.1015449400000000 ] - [ 0.0005700200000000, -0.0004103500000000, -0.0019865300000000 ] - [ 0.0000000000000000, 0.0000381100000000, -0.0014778400000000 ] - [ -0.0005700200000000, -0.0004103500000000, -0.0019865300000000 ] - [ 0.0000703700000000, 0.0006988300000000, -0.0019865300000000 ] - [ -0.0000703700000000, 0.0006988300000000, -0.0019865300000000 ] - [ 0.0000249700000000, 0.0000144200000000, -0.0014623200000000 ] - [ -0.0000249700000000, 0.0000144200000000, -0.0014623200000000 ] - [ -0.0000330000000000, -0.0000190500000000, -0.0014778400000000 ] - [ 0.0000000000000000, 0.0000279200000000, -0.0014624800000000 ] - [ 0.0000330000000000, -0.0000190500000000, -0.0014778400000000 ] - [ 0.0000000000000000, -0.0000288300000000, -0.0014623200000000 ] - [ 0.0006403900000000, -0.0002884700000000, -0.0019865300000000 ] - [ 0.0000241800000000, -0.0000139600000000, -0.0014624800000000 ] - [ -0.0000241800000000, -0.0000139600000000, -0.0014624800000000 ] - [ -0.0006403900000000, -0.0002884700000000, -0.0019865300000000 ] - [ -0.0000252100000000, 0.0000145500000000, -0.0004983000000000 ] - [ 0.0000005300000000, 0.0000092900000000, -0.0012504200000000 ] - [ -0.0000005300000000, 0.0000092900000000, -0.0012504200000000 ] - [ 0.0000252100000000, 0.0000145500000000, -0.0004983000000000 ] - [ 0.0000000000000000, -0.0000291100000000, -0.0004983000000000 ] - [ -0.0000481500000000, -0.0000278000000000, 0.0000210200000000 ] - [ 0.0000000000000000, 0.0000038700000000, -0.0012802800000000 ] - [ 0.0000481500000000, -0.0000278000000000, 0.0000210200000000 ] - [ -0.0000083000000000, -0.0000041900000000, -0.0012504200000000 ] - [ 0.0000083000000000, -0.0000041900000000, -0.0012504200000000 ] - [ 0.0000033500000000, -0.0000019300000000, -0.0012802800000000 ] - [ -0.0000033500000000, -0.0000019300000000, -0.0012802800000000 ] - [ -0.0000077800000000, -0.0000051000000000, -0.0012504200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013043200000000 ] - [ 0.0000077800000000, -0.0000051000000000, -0.0012504200000000 ] - [ 0.0000000000000000, 0.0000556000000000, 0.0000210200000000 ] - [ 0.0000000000000000, -0.0027513200000000, 0.0050059700000000 ] - [ 0.0002438200000000, -0.0001407700000000, -0.0008082000000000 ] - [ 0.0000000000000000, -0.0000194800000000, -0.0008137300000000 ] - [ -0.0002438200000000, -0.0001407700000000, -0.0008082000000000 ] - [ -0.0023827100000000, 0.0013756600000000, 0.0050059700000000 ] - [ 0.0023827100000000, 0.0013756600000000, 0.0050059700000000 ] - [ 0.0001628800000000, 0.0000082900000000, -0.0008128400000000 ] - [ -0.0001628800000000, 0.0000082900000000, -0.0008128400000000 ] - [ -0.0000886200000000, 0.0001369100000000, -0.0008128400000000 ] - [ 0.0000000000000000, 0.0002815400000000, -0.0008082000000000 ] - [ 0.0000886200000000, 0.0001369100000000, -0.0008128400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008089800000000 ] - [ 0.0000742600000000, -0.0001452000000000, -0.0008128400000000 ] - [ 0.0000168700000000, 0.0000097400000000, -0.0008137300000000 ] - [ -0.0000168700000000, 0.0000097400000000, -0.0008137300000000 ] - [ -0.0000742600000000, -0.0001452000000000, -0.0008128400000000 ] - [ 0.0000000000000000, 0.0049303600000000, 0.0048006700000000 ] - [ -0.0002500100000000, 0.0001443400000000, -0.0007946200000000 ] - [ 0.0000000000000000, 0.0000297900000000, -0.0008121200000000 ] - [ 0.0002500100000000, 0.0001443400000000, -0.0007946200000000 ] - [ 0.0042698200000000, -0.0024651800000000, 0.0048006700000000 ] - [ -0.0042698200000000, -0.0024651800000000, 0.0048006700000000 ] - [ -0.0002053400000000, -0.0000376100000000, -0.0007842900000000 ] - [ 0.0002053400000000, -0.0000376100000000, -0.0007842900000000 ] - [ 0.0001352400000000, -0.0001590300000000, -0.0007842900000000 ] - [ 0.0000000000000000, -0.0002886800000000, -0.0007946200000000 ] - [ -0.0001352400000000, -0.0001590300000000, -0.0007842900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007970500000000 ] - [ -0.0000701000000000, 0.0001966400000000, -0.0007842900000000 ] - [ -0.0000258000000000, -0.0000148900000000, -0.0008121200000000 ] - [ 0.0000258000000000, -0.0000148900000000, -0.0008121200000000 ] - [ 0.0000701000000000, 0.0001966400000000, -0.0007842900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0468264800000000 ] - [ -0.0009832500000000, 0.0004367400000000, 0.0016526900000000 ] - [ 0.0000000000000000, 0.0001027900000000, 0.0013147700000000 ] - [ 0.0009832500000000, 0.0004367400000000, 0.0016526900000000 ] - [ 0.0001134000000000, -0.0010698900000000, 0.0016526900000000 ] - [ -0.0001134000000000, -0.0010698900000000, 0.0016526900000000 ] - [ -0.0000631200000000, -0.0000364400000000, 0.0012680300000000 ] - [ 0.0000631200000000, -0.0000364400000000, 0.0012680300000000 ] - [ -0.0000890200000000, -0.0000513900000000, 0.0013147700000000 ] - [ 0.0000000000000000, -0.0001431800000000, 0.0012982700000000 ] - [ 0.0000890200000000, -0.0000513900000000, 0.0013147700000000 ] - [ 0.0000000000000000, 0.0000728800000000, 0.0012680300000000 ] - [ -0.0008698600000000, 0.0006331500000000, 0.0016526900000000 ] - [ -0.0001240000000000, 0.0000715900000000, 0.0012982700000000 ] - [ 0.0001240000000000, 0.0000715900000000, 0.0012982700000000 ] - [ 0.0008698600000000, 0.0006331500000000, 0.0016526900000000 ] - [ 0.0009791000000000, -0.0005652900000000, 0.0000679900000000 ] - [ 0.0001220900000000, -0.0000126200000000, 0.0009783600000000 ] - [ -0.0001220900000000, -0.0000126200000000, 0.0009783600000000 ] - [ -0.0009791000000000, -0.0005652900000000, 0.0000679900000000 ] - [ 0.0000000000000000, 0.0011305700000000, 0.0000679900000000 ] - [ 0.0017677800000000, 0.0010206300000000, 0.0007422100000000 ] - [ 0.0000000000000000, 0.0001399200000000, 0.0009415400000000 ] - [ -0.0017677800000000, 0.0010206300000000, 0.0007422100000000 ] - [ -0.0000501200000000, 0.0001120400000000, 0.0009783600000000 ] - [ 0.0000501200000000, 0.0001120400000000, 0.0009783600000000 ] - [ 0.0001211700000000, -0.0000699600000000, 0.0009415400000000 ] - [ -0.0001211700000000, -0.0000699600000000, 0.0009415400000000 ] - [ 0.0000719700000000, -0.0000994200000000, 0.0009783600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010572900000000 ] - [ -0.0000719700000000, -0.0000994200000000, 0.0009783600000000 ] - [ 0.0000000000000000, -0.0020412500000000, 0.0007422100000000 ] - [ 0.0000000000000000, -0.0004144600000000, -0.0009579900000000 ] - [ -0.0000011200000000, 0.0000006500000000, 0.0008150500000000 ] - [ 0.0000000000000000, -0.0000046800000000, 0.0009346200000000 ] - [ 0.0000011200000000, 0.0000006500000000, 0.0008150500000000 ] - [ -0.0003589300000000, 0.0002072300000000, -0.0009579900000000 ] - [ 0.0003589300000000, 0.0002072300000000, -0.0009579900000000 ] - [ 0.0000212500000000, -0.0000698300000000, 0.0008970200000000 ] - [ -0.0000212500000000, -0.0000698300000000, 0.0008970200000000 ] - [ 0.0000498500000000, 0.0000533200000000, 0.0008970200000000 ] - [ 0.0000000000000000, -0.0000012900000000, 0.0008150500000000 ] - [ -0.0000498500000000, 0.0000533200000000, 0.0008970200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009469300000000 ] - [ 0.0000711000000000, 0.0000165100000000, 0.0008970200000000 ] - [ 0.0000040500000000, 0.0000023400000000, 0.0009346200000000 ] - [ -0.0000040500000000, 0.0000023400000000, 0.0009346200000000 ] - [ -0.0000711000000000, 0.0000165100000000, 0.0008970200000000 ] - [ 0.0000000000000000, 0.0130975300000000, 0.0090593600000000 ] - [ 0.0000382000000000, -0.0000220600000000, 0.0013254800000000 ] - [ 0.0000000000000000, -0.0000104500000000, 0.0011363700000000 ] - [ -0.0000382000000000, -0.0000220600000000, 0.0013254800000000 ] - [ 0.0113427900000000, -0.0065487600000000, 0.0090593600000000 ] - [ -0.0113427900000000, -0.0065487600000000, 0.0090593600000000 ] - [ -0.0000513500000000, -0.0001380300000000, 0.0012071400000000 ] - [ 0.0000513500000000, -0.0001380300000000, 0.0012071400000000 ] - [ 0.0001452200000000, 0.0000245400000000, 0.0012071400000000 ] - [ 0.0000000000000000, 0.0000441100000000, 0.0013254800000000 ] - [ -0.0001452200000000, 0.0000245400000000, 0.0012071400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011274600000000 ] - [ 0.0000938600000000, 0.0001134900000000, 0.0012071400000000 ] - [ 0.0000090500000000, 0.0000052300000000, 0.0011363700000000 ] - [ -0.0000090500000000, 0.0000052300000000, 0.0011363700000000 ] - [ -0.0000938600000000, 0.0001134900000000, 0.0012071400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0958859700000000 ] - [ -0.0005901800000000, 0.0004090800000000, -0.0007478600000000 ] - [ 0.0000000000000000, -0.0000384100000000, -0.0012541100000000 ] - [ 0.0005901800000000, 0.0004090800000000, -0.0007478600000000 ] - [ -0.0000591900000000, -0.0007156500000000, -0.0007478600000000 ] - [ 0.0000591900000000, -0.0007156500000000, -0.0007478600000000 ] - [ -0.0000249100000000, -0.0000143800000000, -0.0012705400000000 ] - [ 0.0000249100000000, -0.0000143800000000, -0.0012705400000000 ] - [ 0.0000332600000000, 0.0000192000000000, -0.0012541100000000 ] - [ 0.0000000000000000, -0.0000286200000000, -0.0012707600000000 ] - [ -0.0000332600000000, 0.0000192000000000, -0.0012541100000000 ] - [ 0.0000000000000000, 0.0000287700000000, -0.0012705400000000 ] - [ -0.0006493600000000, 0.0003065700000000, -0.0007478600000000 ] - [ -0.0000247900000000, 0.0000143100000000, -0.0012707600000000 ] - [ 0.0000247900000000, 0.0000143100000000, -0.0012707600000000 ] - [ 0.0006493600000000, 0.0003065700000000, -0.0007478600000000 ] - [ 0.0000243800000000, -0.0000140800000000, -0.0022356600000000 ] - [ -0.0000006000000000, -0.0000102800000000, -0.0014824100000000 ] - [ 0.0000006000000000, -0.0000102800000000, -0.0014824100000000 ] - [ -0.0000243800000000, -0.0000140800000000, -0.0022356600000000 ] - [ 0.0000000000000000, 0.0000281500000000, -0.0022356600000000 ] - [ 0.0000519500000000, 0.0000300000000000, -0.0027548200000000 ] - [ 0.0000000000000000, -0.0000025100000000, -0.0014537700000000 ] - [ -0.0000519500000000, 0.0000300000000000, -0.0027548200000000 ] - [ 0.0000092000000000, 0.0000046200000000, -0.0014824100000000 ] - [ -0.0000092000000000, 0.0000046200000000, -0.0014824100000000 ] - [ -0.0000021800000000, 0.0000012600000000, -0.0014537700000000 ] - [ 0.0000021800000000, 0.0000012600000000, -0.0014537700000000 ] - [ 0.0000086000000000, 0.0000056600000000, -0.0014824100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014290600000000 ] - [ -0.0000086000000000, 0.0000056600000000, -0.0014824100000000 ] - [ 0.0000000000000000, -0.0000599900000000, -0.0027548200000000 ] - [ 0.0000000000000000, 0.0027010300000000, -0.0065551400000000 ] - [ -0.0002446000000000, 0.0001412200000000, -0.0008160900000000 ] - [ 0.0000000000000000, 0.0000206800000000, -0.0008100300000000 ] - [ 0.0002446000000000, 0.0001412200000000, -0.0008160900000000 ] - [ 0.0023391600000000, -0.0013505200000000, -0.0065551400000000 ] - [ -0.0023391600000000, -0.0013505200000000, -0.0065551400000000 ] - [ -0.0001630600000000, -0.0000091400000000, -0.0008128700000000 ] - [ 0.0001630600000000, -0.0000091400000000, -0.0008128700000000 ] - [ 0.0000894500000000, -0.0001366400000000, -0.0008128700000000 ] - [ 0.0000000000000000, -0.0002824400000000, -0.0008160900000000 ] - [ -0.0000894500000000, -0.0001366400000000, -0.0008128700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008135400000000 ] - [ -0.0000736100000000, 0.0001457900000000, -0.0008128700000000 ] - [ -0.0000179100000000, -0.0000103400000000, -0.0008100300000000 ] - [ 0.0000179100000000, -0.0000103400000000, -0.0008100300000000 ] - [ 0.0000736100000000, 0.0001457900000000, -0.0008128700000000 ] - [ 0.0000000000000000, -0.0049771800000000, -0.0064870800000000 ] - [ 0.0002508200000000, -0.0001448100000000, -0.0008277400000000 ] - [ 0.0000000000000000, -0.0000293700000000, -0.0008109600000000 ] - [ -0.0002508200000000, -0.0001448100000000, -0.0008277400000000 ] - [ -0.0043103700000000, 0.0024885900000000, -0.0064870800000000 ] - [ 0.0043103700000000, 0.0024885900000000, -0.0064870800000000 ] - [ 0.0002059800000000, 0.0000372800000000, -0.0008378500000000 ] - [ -0.0002059800000000, 0.0000372800000000, -0.0008378500000000 ] - [ -0.0001352700000000, 0.0001597500000000, -0.0008378500000000 ] - [ 0.0000000000000000, 0.0002896300000000, -0.0008277400000000 ] - [ 0.0001352700000000, 0.0001597500000000, -0.0008378500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008251700000000 ] - [ 0.0000707100000000, -0.0001970200000000, -0.0008378500000000 ] - [ 0.0000254400000000, 0.0000146900000000, -0.0008109600000000 ] - [ -0.0000254400000000, 0.0000146900000000, -0.0008109600000000 ] - [ -0.0000707100000000, -0.0001970200000000, -0.0008378500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0419835600000000 ] - [ 0.0009797800000000, -0.0004374500000000, 0.0006598600000000 ] - [ 0.0000000000000000, -0.0001029700000000, 0.0009966900000000 ] - [ -0.0009797800000000, -0.0004374500000000, 0.0006598600000000 ] - [ -0.0001110500000000, 0.0010672300000000, 0.0006598600000000 ] - [ 0.0001110500000000, 0.0010672300000000, 0.0006598600000000 ] - [ 0.0000630700000000, 0.0000364100000000, 0.0010428100000000 ] - [ -0.0000630700000000, 0.0000364100000000, 0.0010428100000000 ] - [ 0.0000891700000000, 0.0000514800000000, 0.0009966900000000 ] - [ 0.0000000000000000, 0.0001433000000000, 0.0010129100000000 ] - [ -0.0000891700000000, 0.0000514800000000, 0.0009966900000000 ] - [ 0.0000000000000000, -0.0000728300000000, 0.0010428100000000 ] - [ 0.0008687300000000, -0.0006297900000000, 0.0006598600000000 ] - [ 0.0001241000000000, -0.0000716500000000, 0.0010129100000000 ] - [ -0.0001241000000000, -0.0000716500000000, 0.0010129100000000 ] - [ -0.0008687300000000, -0.0006297900000000, 0.0006598600000000 ] - [ -0.0009822300000000, 0.0005670900000000, 0.0022408600000000 ] - [ -0.0001222300000000, 0.0000137100000000, 0.0013317200000000 ] - [ 0.0001222300000000, 0.0000137100000000, 0.0013317200000000 ] - [ 0.0009822300000000, 0.0005670900000000, 0.0022408600000000 ] - [ 0.0000000000000000, -0.0011341800000000, 0.0022408600000000 ] - [ -0.0017744300000000, -0.0010244700000000, 0.0015641600000000 ] - [ 0.0000000000000000, -0.0001402500000000, 0.0013692000000000 ] - [ 0.0017744300000000, -0.0010244700000000, 0.0015641600000000 ] - [ 0.0000492400000000, -0.0001127000000000, 0.0013317200000000 ] - [ -0.0000492400000000, -0.0001127000000000, 0.0013317200000000 ] - [ -0.0001214600000000, 0.0000701200000000, 0.0013692000000000 ] - [ 0.0001214600000000, 0.0000701200000000, 0.0013692000000000 ] - [ -0.0000729800000000, 0.0000990000000000, 0.0013317200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012531000000000 ] - [ 0.0000729800000000, 0.0000990000000000, 0.0013317200000000 ] - [ 0.0000000000000000, 0.0020489300000000, 0.0015641600000000 ] - [ 0.0000000000000000, 0.0004082300000000, 0.0030031700000000 ] - [ 0.0000004300000000, -0.0000002500000000, 0.0012317200000000 ] - [ 0.0000000000000000, 0.0000049100000000, 0.0011119000000000 ] - [ -0.0000004300000000, -0.0000002500000000, 0.0012317200000000 ] - [ 0.0003535400000000, -0.0002041200000000, 0.0030031700000000 ] - [ -0.0003535400000000, -0.0002041200000000, 0.0030031700000000 ] - [ -0.0000231300000000, 0.0000711600000000, 0.0011503000000000 ] - [ 0.0000231300000000, 0.0000711600000000, 0.0011503000000000 ] - [ -0.0000500600000000, -0.0000556100000000, 0.0011503000000000 ] - [ 0.0000000000000000, 0.0000005000000000, 0.0012317200000000 ] - [ 0.0000500600000000, -0.0000556100000000, 0.0011503000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010999800000000 ] - [ -0.0000731900000000, -0.0000155400000000, 0.0011503000000000 ] - [ -0.0000042500000000, -0.0000024600000000, 0.0011119000000000 ] - [ 0.0000042500000000, -0.0000024600000000, 0.0011119000000000 ] - [ 0.0000731900000000, -0.0000155400000000, 0.0011503000000000 ] - [ 0.0000000000000000, -0.0132724400000000, -0.0068785500000000 ] - [ -0.0000369400000000, 0.0000213300000000, 0.0007180200000000 ] - [ 0.0000000000000000, 0.0000099900000000, 0.0009082000000000 ] - [ 0.0000369400000000, 0.0000213300000000, 0.0007180200000000 ] - [ -0.0114942700000000, 0.0066362200000000, -0.0068785500000000 ] - [ 0.0114942700000000, 0.0066362200000000, -0.0068785500000000 ] - [ 0.0000529600000000, 0.0001404200000000, 0.0008344800000000 ] - [ -0.0000529600000000, 0.0001404200000000, 0.0008344800000000 ] - [ -0.0001480900000000, -0.0000243400000000, 0.0008344800000000 ] - [ 0.0000000000000000, -0.0000426500000000, 0.0007180200000000 ] - [ 0.0001480900000000, -0.0000243400000000, 0.0008344800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009169300000000 ] - [ -0.0000951200000000, -0.0001160800000000, 0.0008344800000000 ] - [ -0.0000086600000000, -0.0000050000000000, 0.0009082000000000 ] - [ 0.0000086600000000, -0.0000050000000000, 0.0009082000000000 ] - [ 0.0000951200000000, -0.0001160800000000, 0.0008344800000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0012086900000000, -0.0000015800000000, -0.0013667800000000 ] - [ 0.0001000300000000, 0.0002328300000000, -0.0016127600000000 ] - [ 0.0002358500000000, 0.0000036100000000, -0.0013682700000000 ] - [ 0.0001012600000000, -0.0002262000000000, -0.0011246800000000 ] - [ -0.0000752200000000, -0.0002127400000000, -0.0012935200000000 ] - [ -0.0000751300000000, 0.0002188300000000, -0.0014423000000000 ] - [ 0.0000422500000000, 0.0001156100000000, -0.0013854200000000 ] - [ 0.0000420000000000, -0.0001083700000000, -0.0013509100000000 ] - [ 0.0000707300000000, -0.0002277900000000, -0.0014564800000000 ] - [ 0.0001533200000000, 0.0000030200000000, -0.0013672900000000 ] - [ 0.0000721400000000, 0.0002350900000000, -0.0012783300000000 ] - [ -0.0002977100000000, 0.0000037100000000, -0.0013675100000000 ] - [ 0.0013571200000000, -0.0014810500000000, -0.0037334100000000 ] - [ 0.0003843700000000, -0.0001161400000000, -0.0015312300000000 ] - [ 0.0003857700000000, 0.0001213100000000, -0.0012048000000000 ] - [ 0.0013511200000000, 0.0014777700000000, 0.0009866100000000 ] - [ 0.0017961100000000, 0.0015430100000000, 0.0029266700000000 ] - [ 0.0004603200000000, 0.0000680700000000, -0.0011614600000000 ] - [ 0.0004622100000000, -0.0000752600000000, -0.0015732400000000 ] - [ 0.0017970000000000, -0.0015421400000000, -0.0056515000000000 ] - [ -0.0003430600000000, -0.0000025400000000, -0.0013675400000000 ] - [ 0.0001209300000000, 0.0002882800000000, -0.0012327400000000 ] - [ 0.0001927600000000, -0.0000020100000000, -0.0013690300000000 ] - [ 0.0001209100000000, -0.0002949000000000, -0.0015027900000000 ] - [ 0.0000319300000000, -0.0001230400000000, -0.0013423600000000 ] - [ 0.0000305400000000, 0.0001151500000000, -0.0013939200000000 ] - [ -0.0000227100000000, 0.0001804100000000, -0.0014387000000000 ] - [ -0.0000245100000000, -0.0001889700000000, -0.0012985400000000 ] - [ 0.0000964600000000, -0.0002574800000000, -0.0011176700000000 ] - [ 0.0002373400000000, -0.0000037500000000, -0.0013675300000000 ] - [ 0.0000967400000000, 0.0002507600000000, -0.0016175900000000 ] - [ -0.0008751200000000, -0.0000041000000000, -0.0013724200000000 ] - [ -0.0986048900000000, 0.0010406100000000, -0.0000714900000000 ] - [ 0.0084872200000000, -0.0008934200000000, -0.0014640400000000 ] - [ 0.0021947400000000, -0.0000047200000000, -0.0008110000000000 ] - [ 0.0083435600000000, 0.0008878500000000, -0.0001543200000000 ] - [ 0.0018378500000000, -0.0046855400000000, -0.0008134600000000 ] - [ 0.0018360400000000, 0.0046915800000000, -0.0008030800000000 ] - [ 0.0003881100000000, 0.0002829900000000, -0.0008404300000000 ] - [ 0.0003890100000000, -0.0002880600000000, -0.0007806800000000 ] - [ 0.0004427000000000, -0.0010150400000000, -0.0007724100000000 ] - [ -0.0001066200000000, -0.0000026600000000, -0.0008105500000000 ] - [ 0.0004435600000000, 0.0010086900000000, -0.0008493900000000 ] - [ -0.0001059500000000, -0.0000023500000000, -0.0008095800000000 ] - [ 0.0018399400000000, -0.0029183900000000, -0.0014731400000000 ] - [ 0.0003890300000000, -0.0002899500000000, -0.0008314700000000 ] - [ 0.0003888500000000, 0.0002812000000000, -0.0007912200000000 ] - [ 0.0018338200000000, 0.0028964600000000, -0.0001540000000000 ] - [ -0.0004418100000000, 0.0000022100000000, -0.0008094000000000 ] - [ 0.0002414600000000, -0.0000326100000000, -0.0006823900000000 ] - [ 0.0002985300000000, 0.0000027200000000, -0.0008107600000000 ] - [ 0.0002434200000000, 0.0000380200000000, -0.0009384900000000 ] - [ -0.0002175400000000, -0.0002274400000000, -0.0011844700000000 ] - [ -0.0002189900000000, 0.0002332800000000, -0.0004356700000000 ] - [ 0.0001506400000000, 0.0000918600000000, -0.0007850200000000 ] - [ 0.0001519000000000, -0.0000862600000000, -0.0008360300000000 ] - [ 0.0000189900000000, -0.0001592000000000, -0.0008183700000000 ] - [ -0.0000669000000000, 0.0000020600000000, -0.0008109500000000 ] - [ 0.0000193900000000, 0.0001646000000000, -0.0008027100000000 ] - [ -0.0000038800000000, 0.0000036300000000, -0.0008100400000000 ] - [ -0.0001579800000000, -0.0002623000000000, -0.0010568900000000 ] - [ 0.0001226900000000, -0.0001070300000000, -0.0008285300000000 ] - [ 0.0001230700000000, 0.0001121700000000, -0.0007930600000000 ] - [ -0.0001565400000000, 0.0002687200000000, -0.0005638200000000 ] - [ 0.0034167800000000, -0.0000875700000000, 0.0011644200000000 ] - [ -0.0005925200000000, -0.0010502000000000, 0.0017235100000000 ] - [ -0.0004745500000000, 0.0000070600000000, 0.0011563400000000 ] - [ -0.0005948800000000, 0.0010623900000000, 0.0005903900000000 ] - [ 0.0002263100000000, 0.0012177100000000, 0.0006324600000000 ] - [ 0.0002256200000000, -0.0011982200000000, 0.0016809500000000 ] - [ -0.0000104600000000, -0.0002594900000000, 0.0012228600000000 ] - [ -0.0000099000000000, 0.0002766900000000, 0.0010891600000000 ] - [ -0.0007178500000000, 0.0004899300000000, 0.0014263300000000 ] - [ -0.0005580800000000, 0.0000092200000000, 0.0011561700000000 ] - [ -0.0007219100000000, -0.0004731900000000, 0.0008850400000000 ] - [ 0.0012358900000000, 0.0000097800000000, 0.0011546200000000 ] - [ 0.0317420500000000, -0.0164642800000000, -0.0106038800000000 ] - [ -0.0017108500000000, 0.0011980000000000, 0.0019553400000000 ] - [ -0.0017097400000000, -0.0011666500000000, 0.0003656500000000 ] - [ 0.0305371600000000, 0.0155535500000000, 0.0122531900000000 ] - [ 0.0006628700000000, 0.0002443400000000, -0.0000684800000000 ] - [ -0.0003110900000000, -0.0000493500000000, 0.0009796600000000 ] - [ -0.0003116100000000, 0.0000326400000000, 0.0013314700000000 ] - [ 0.0006620900000000, -0.0002597800000000, 0.0023799100000000 ] - [ 0.0003253200000000, -0.0000084300000000, 0.0011560300000000 ] - [ -0.0000274500000000, -0.0001578100000000, 0.0010261800000000 ] - [ -0.0001986000000000, -0.0000087800000000, 0.0011559500000000 ] - [ -0.0000277700000000, 0.0001403300000000, 0.0012856900000000 ] - [ 0.0000354800000000, 0.0001071100000000, 0.0011335800000000 ] - [ 0.0000351200000000, -0.0001239500000000, 0.0011779900000000 ] - [ -0.0000048200000000, -0.0002004700000000, 0.0012023700000000 ] - [ -0.0000049500000000, 0.0001828100000000, 0.0011097600000000 ] - [ -0.0000256400000000, 0.0001943900000000, 0.0010220100000000 ] - [ -0.0001648500000000, -0.0000084800000000, 0.0011555900000000 ] - [ -0.0000264600000000, -0.0002114700000000, 0.0012895600000000 ] - [ 0.0002258700000000, -0.0000083400000000, 0.0011561400000000 ] - [ 0.0033991100000000, -0.0000143600000000, 0.0009270600000000 ] - [ -0.0006068400000000, 0.0002340300000000, -0.0001512600000000 ] - [ -0.0005359500000000, 0.0000089700000000, 0.0010204600000000 ] - [ -0.0006092700000000, -0.0002152300000000, 0.0021899300000000 ] - [ 0.0001914100000000, 0.0008185700000000, 0.0015652200000000 ] - [ 0.0001933100000000, -0.0007984400000000, 0.0004810200000000 ] - [ -0.0002012700000000, -0.0001829700000000, 0.0009226400000000 ] - [ -0.0002013200000000, 0.0002010600000000, 0.0011222000000000 ] - [ -0.0000302400000000, 0.0003010600000000, 0.0010115900000000 ] - [ -0.0001263600000000, 0.0000095500000000, 0.0010222600000000 ] - [ -0.0000309400000000, -0.0002826900000000, 0.0010338500000000 ] - [ 0.0001314700000000, 0.0000089600000000, 0.0010228900000000 ] - [ 0.0002978800000000, 0.0001867600000000, 0.0003957500000000 ] - [ -0.0003255700000000, 0.0001247900000000, 0.0008803300000000 ] - [ -0.0003263900000000, -0.0001057300000000, 0.0011640700000000 ] - [ 0.0002977100000000, -0.0001662800000000, 0.0016528700000000 ] - [ 0.0011762100000000, -0.0000069800000000, 0.0010266100000000 ] - [ -0.0004184900000000, -0.0003216100000000, 0.0010484500000000 ] - [ -0.0004769400000000, -0.0000088400000000, 0.0010231400000000 ] - [ -0.0004224800000000, 0.0003053600000000, 0.0009970500000000 ] - [ 0.0004211900000000, -0.0000286000000000, 0.0010588700000000 ] - [ 0.0004221900000000, 0.0000109200000000, 0.0009867800000000 ] - [ -0.0003137400000000, -0.0001116700000000, 0.0010221600000000 ] - [ -0.0003142300000000, 0.0000932800000000, 0.0010233700000000 ] - [ -0.0000278000000000, 0.0002501800000000, 0.0010535900000000 ] - [ 0.0002688600000000, -0.0000087400000000, 0.0010227500000000 ] - [ -0.0000277200000000, -0.0002683400000000, 0.0009919900000000 ] - [ -0.0001365900000000, -0.0000092500000000, 0.0010226500000000 ] - [ 0.0002551900000000, 0.0008859600000000, 0.0010840100000000 ] - [ -0.0001118300000000, 0.0002118900000000, 0.0010506100000000 ] - [ -0.0001124100000000, -0.0002280700000000, 0.0009949700000000 ] - [ 0.0002547600000000, -0.0009060800000000, 0.0009603900000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0043371000000000, 0.0043800200000000 ] - [ -0.0003251000000000, -0.0001876900000000, -0.0013618800000000 ] - [ 0.0000000000000000, -0.0000265400000000, -0.0013680900000000 ] - [ 0.0003251000000000, -0.0001876900000000, -0.0013618800000000 ] - [ 0.0001579500000000, -0.0001383500000000, -0.0013659400000000 ] - [ -0.0001579500000000, -0.0001383500000000, -0.0013659400000000 ] - [ -0.0000229900000000, 0.0000132700000000, -0.0013680900000000 ] - [ 0.0000229900000000, 0.0000132700000000, -0.0013680900000000 ] - [ -0.0000408400000000, 0.0002059700000000, -0.0013659400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013635200000000 ] - [ 0.0000408400000000, 0.0002059700000000, -0.0013659400000000 ] - [ 0.0000000000000000, 0.0003753900000000, -0.0013618800000000 ] - [ -0.0037560400000000, 0.0021685500000000, 0.0043800200000000 ] - [ -0.0001987900000000, -0.0000676100000000, -0.0013659400000000 ] - [ 0.0001987900000000, -0.0000676100000000, -0.0013659400000000 ] - [ 0.0037560400000000, 0.0021685500000000, 0.0043800200000000 ] - [ 0.0024291800000000, 0.0014024900000000, 0.0043122300000000 ] - [ 0.0001696800000000, -0.0000435600000000, -0.0013406200000000 ] - [ -0.0001696800000000, -0.0000435600000000, -0.0013406200000000 ] - [ -0.0024291800000000, 0.0014024900000000, 0.0043122300000000 ] - [ 0.0000000000000000, 0.0003009600000000, -0.0013506400000000 ] - [ 0.0000471200000000, 0.0001687300000000, -0.0013406200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013529200000000 ] - [ -0.0000471200000000, 0.0001687300000000, -0.0013406200000000 ] - [ 0.0000198300000000, 0.0000114500000000, -0.0013673200000000 ] - [ -0.0000198300000000, 0.0000114500000000, -0.0013673200000000 ] - [ -0.0001225700000000, -0.0001251700000000, -0.0013406200000000 ] - [ 0.0001225700000000, -0.0001251700000000, -0.0013406200000000 ] - [ 0.0002606400000000, -0.0001504800000000, -0.0013506400000000 ] - [ 0.0000000000000000, -0.0000229000000000, -0.0013673200000000 ] - [ -0.0002606400000000, -0.0001504800000000, -0.0013506400000000 ] - [ 0.0000000000000000, -0.0028049700000000, 0.0043122300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1026320000000000 ] - [ 0.0006459100000000, 0.0003849200000000, -0.0013869100000000 ] - [ 0.0000000000000000, -0.0000448000000000, -0.0009313800000000 ] - [ -0.0006459100000000, 0.0003849200000000, -0.0013869100000000 ] - [ -0.0006563000000000, 0.0003669100000000, -0.0013869100000000 ] - [ 0.0006563000000000, 0.0003669100000000, -0.0013869100000000 ] - [ 0.0000202000000000, 0.0000116600000000, -0.0009060400000000 ] - [ -0.0000202000000000, 0.0000116600000000, -0.0009060400000000 ] - [ 0.0000388000000000, 0.0000224000000000, -0.0009313800000000 ] - [ 0.0000000000000000, 0.0000340700000000, -0.0009060900000000 ] - [ -0.0000388000000000, 0.0000224000000000, -0.0009313800000000 ] - [ 0.0000000000000000, -0.0000233300000000, -0.0009060400000000 ] - [ -0.0000104000000000, -0.0007518300000000, -0.0013869100000000 ] - [ 0.0000295100000000, -0.0000170400000000, -0.0009060900000000 ] - [ -0.0000295100000000, -0.0000170400000000, -0.0009060900000000 ] - [ 0.0000104000000000, -0.0007518300000000, -0.0013869100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000010100000000 ] - [ -0.0001268100000000, -0.0003585300000000, 0.0001772000000000 ] - [ 0.0000000000000000, -0.0000089800000000, -0.0007118700000000 ] - [ 0.0001268100000000, -0.0003585300000000, 0.0001772000000000 ] - [ 0.0003739000000000, 0.0000694500000000, 0.0001772000000000 ] - [ -0.0003739000000000, 0.0000694500000000, 0.0001772000000000 ] - [ -0.0000253900000000, -0.0000146600000000, -0.0007094500000000 ] - [ 0.0000253900000000, -0.0000146600000000, -0.0007094500000000 ] - [ 0.0000077700000000, 0.0000044900000000, -0.0007118700000000 ] - [ 0.0000000000000000, 0.0000202900000000, -0.0007193700000000 ] - [ -0.0000077700000000, 0.0000044900000000, -0.0007118700000000 ] - [ 0.0000000000000000, 0.0000293200000000, -0.0007094500000000 ] - [ 0.0002470900000000, 0.0002890800000000, 0.0001772000000000 ] - [ 0.0000175800000000, -0.0000101500000000, -0.0007193700000000 ] - [ -0.0000175800000000, -0.0000101500000000, -0.0007193700000000 ] - [ -0.0002470900000000, 0.0002890800000000, 0.0001772000000000 ] - [ 0.0000000000000000, -0.0131426100000000, 0.0092240100000000 ] - [ 0.0000142600000000, 0.0000082300000000, 0.0015136700000000 ] - [ 0.0000000000000000, -0.0000010200000000, 0.0012810400000000 ] - [ -0.0000142600000000, 0.0000082300000000, 0.0015136700000000 ] - [ -0.0000886100000000, -0.0001237200000000, 0.0013376300000000 ] - [ 0.0000886100000000, -0.0001237200000000, 0.0013376300000000 ] - [ -0.0000008800000000, 0.0000005100000000, 0.0012810400000000 ] - [ 0.0000008800000000, 0.0000005100000000, 0.0012810400000000 ] - [ -0.0001514500000000, -0.0000148800000000, 0.0013376300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012554200000000 ] - [ 0.0001514500000000, -0.0000148800000000, 0.0013376300000000 ] - [ 0.0000000000000000, -0.0000164700000000, 0.0015136700000000 ] - [ -0.0113818300000000, 0.0065713000000000, 0.0092240100000000 ] - [ -0.0000628400000000, 0.0001386000000000, 0.0013376300000000 ] - [ 0.0000628400000000, 0.0001386000000000, 0.0013376300000000 ] - [ 0.0113818300000000, 0.0065713000000000, 0.0092240100000000 ] - [ 0.0004719200000000, 0.0002724600000000, -0.0006762300000000 ] - [ 0.0000557400000000, 0.0000397400000000, 0.0010073200000000 ] - [ -0.0000557400000000, 0.0000397400000000, 0.0010073200000000 ] - [ -0.0004719200000000, 0.0002724600000000, -0.0006762300000000 ] - [ 0.0000000000000000, 0.0000300200000000, 0.0008951500000000 ] - [ 0.0000622800000000, 0.0000284000000000, 0.0010073200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010628000000000 ] - [ -0.0000622800000000, 0.0000284000000000, 0.0010073200000000 ] - [ 0.0000144400000000, 0.0000083400000000, 0.0010664000000000 ] - [ -0.0000144400000000, 0.0000083400000000, 0.0010664000000000 ] - [ 0.0000065400000000, -0.0000681400000000, 0.0010073200000000 ] - [ -0.0000065400000000, -0.0000681400000000, 0.0010073200000000 ] - [ 0.0000260000000000, -0.0000150100000000, 0.0008951500000000 ] - [ 0.0000000000000000, -0.0000166700000000, 0.0010664000000000 ] - [ -0.0000260000000000, -0.0000150100000000, 0.0008951500000000 ] - [ 0.0000000000000000, -0.0005449200000000, -0.0006762300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0476719700000000 ] - [ -0.0009485800000000, 0.0004194800000000, 0.0014692400000000 ] - [ 0.0000000000000000, 0.0000958000000000, 0.0011733800000000 ] - [ 0.0009485800000000, 0.0004194800000000, 0.0014692400000000 ] - [ 0.0001110100000000, -0.0010312400000000, 0.0014692400000000 ] - [ -0.0001110100000000, -0.0010312400000000, 0.0014692400000000 ] - [ -0.0000739500000000, -0.0000426900000000, 0.0011337200000000 ] - [ 0.0000739500000000, -0.0000426900000000, 0.0011337200000000 ] - [ -0.0000829600000000, -0.0000479000000000, 0.0011733800000000 ] - [ 0.0000000000000000, -0.0001409500000000, 0.0011710700000000 ] - [ 0.0000829600000000, -0.0000479000000000, 0.0011733800000000 ] - [ 0.0000000000000000, 0.0000853900000000, 0.0011337200000000 ] - [ -0.0008375700000000, 0.0006117600000000, 0.0014692400000000 ] - [ -0.0001220700000000, 0.0000704700000000, 0.0011710700000000 ] - [ 0.0001220700000000, 0.0000704700000000, 0.0011710700000000 ] - [ 0.0008375700000000, 0.0006117600000000, 0.0014692400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007605000000000 ] - [ 0.0012985400000000, 0.0009150100000000, 0.0006108600000000 ] - [ 0.0000000000000000, 0.0001108800000000, 0.0008321300000000 ] - [ -0.0012985400000000, 0.0009150100000000, 0.0006108600000000 ] - [ -0.0014416900000000, 0.0006670600000000, 0.0006108600000000 ] - [ 0.0014416900000000, 0.0006670600000000, 0.0006108600000000 ] - [ 0.0001533900000000, 0.0000885600000000, 0.0008469600000000 ] - [ -0.0001533900000000, 0.0000885600000000, 0.0008469600000000 ] - [ -0.0000960300000000, -0.0000554400000000, 0.0008321300000000 ] - [ 0.0000000000000000, 0.0001088100000000, 0.0008676500000000 ] - [ 0.0000960300000000, -0.0000554400000000, 0.0008321300000000 ] - [ 0.0000000000000000, -0.0001771200000000, 0.0008469600000000 ] - [ -0.0001431500000000, -0.0015820700000000, 0.0006108600000000 ] - [ 0.0000942300000000, -0.0000544100000000, 0.0008676500000000 ] - [ -0.0000942300000000, -0.0000544100000000, 0.0008676500000000 ] - [ 0.0001431500000000, -0.0015820700000000, 0.0006108600000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0043823900000000, -0.0071829800000000 ] - [ 0.0003252900000000, 0.0001878100000000, -0.0013731100000000 ] - [ 0.0000000000000000, 0.0000258300000000, -0.0013677600000000 ] - [ -0.0003252900000000, 0.0001878100000000, -0.0013731100000000 ] - [ -0.0001593300000000, 0.0001397900000000, -0.0013688400000000 ] - [ 0.0001593300000000, 0.0001397900000000, -0.0013688400000000 ] - [ 0.0000223700000000, -0.0000129200000000, -0.0013677600000000 ] - [ -0.0000223700000000, -0.0000129200000000, -0.0013677600000000 ] - [ 0.0000413900000000, -0.0002078800000000, -0.0013688400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013717200000000 ] - [ -0.0000413900000000, -0.0002078800000000, -0.0013688400000000 ] - [ 0.0000000000000000, -0.0003756200000000, -0.0013731100000000 ] - [ 0.0037952600000000, -0.0021912000000000, -0.0071829800000000 ] - [ 0.0002007200000000, 0.0000680900000000, -0.0013688400000000 ] - [ -0.0002007200000000, 0.0000680900000000, -0.0013688400000000 ] - [ -0.0037952600000000, -0.0021912000000000, -0.0071829800000000 ] - [ -0.0023873600000000, -0.0013783400000000, -0.0069774800000000 ] - [ -0.0001701700000000, 0.0000435500000000, -0.0013963900000000 ] - [ 0.0001701700000000, 0.0000435500000000, -0.0013963900000000 ] - [ 0.0023873600000000, -0.0013783400000000, -0.0069774800000000 ] - [ 0.0000000000000000, -0.0003004800000000, -0.0013856600000000 ] - [ -0.0000473700000000, -0.0001691400000000, -0.0013963900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013858900000000 ] - [ 0.0000473700000000, -0.0001691400000000, -0.0013963900000000 ] - [ -0.0000195400000000, -0.0000112800000000, -0.0013675800000000 ] - [ 0.0000195400000000, -0.0000112800000000, -0.0013675800000000 ] - [ 0.0001228000000000, 0.0001256000000000, -0.0013963900000000 ] - [ -0.0001228000000000, 0.0001256000000000, -0.0013963900000000 ] - [ -0.0002602300000000, 0.0001502400000000, -0.0013856600000000 ] - [ 0.0000000000000000, 0.0000225600000000, -0.0013675800000000 ] - [ 0.0002602300000000, 0.0001502400000000, -0.0013856600000000 ] - [ 0.0000000000000000, 0.0027566800000000, -0.0069774800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0980496200000000 ] - [ -0.0006657000000000, -0.0003832700000000, -0.0002359000000000 ] - [ 0.0000000000000000, 0.0000444600000000, -0.0006896300000000 ] - [ 0.0006657000000000, -0.0003832700000000, -0.0002359000000000 ] - [ 0.0006647800000000, -0.0003848800000000, -0.0002359000000000 ] - [ -0.0006647800000000, -0.0003848800000000, -0.0002359000000000 ] - [ -0.0000208300000000, -0.0000120300000000, -0.0007149500000000 ] - [ 0.0000208300000000, -0.0000120300000000, -0.0007149500000000 ] - [ -0.0000385000000000, -0.0000222300000000, -0.0006896300000000 ] - [ 0.0000000000000000, -0.0000346900000000, -0.0007146700000000 ] - [ 0.0000385000000000, -0.0000222300000000, -0.0006896300000000 ] - [ 0.0000000000000000, 0.0000240600000000, -0.0007149500000000 ] - [ -0.0000009300000000, 0.0007681500000000, -0.0002359000000000 ] - [ -0.0000300400000000, 0.0000173400000000, -0.0007146700000000 ] - [ 0.0000300400000000, 0.0000173400000000, -0.0007146700000000 ] - [ 0.0000009300000000, 0.0007681500000000, -0.0002359000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016204700000000 ] - [ 0.0001283300000000, 0.0003589600000000, -0.0018003600000000 ] - [ 0.0000000000000000, 0.0000082900000000, -0.0009097000000000 ] - [ -0.0001283300000000, 0.0003589600000000, -0.0018003600000000 ] - [ -0.0003750400000000, -0.0000683400000000, -0.0018003600000000 ] - [ 0.0003750400000000, -0.0000683400000000, -0.0018003600000000 ] - [ 0.0000232700000000, 0.0000134400000000, -0.0009118100000000 ] - [ -0.0000232700000000, 0.0000134400000000, -0.0009118100000000 ] - [ -0.0000071800000000, -0.0000041400000000, -0.0009097000000000 ] - [ 0.0000000000000000, -0.0000193000000000, -0.0009033000000000 ] - [ 0.0000071800000000, -0.0000041400000000, -0.0009097000000000 ] - [ 0.0000000000000000, -0.0000268800000000, -0.0009118100000000 ] - [ -0.0002467100000000, -0.0002906200000000, -0.0018003600000000 ] - [ -0.0000167200000000, 0.0000096500000000, -0.0009033000000000 ] - [ 0.0000167200000000, 0.0000096500000000, -0.0009033000000000 ] - [ 0.0002467100000000, -0.0002906200000000, -0.0018003600000000 ] - [ 0.0000000000000000, 0.0133243900000000, -0.0067765400000000 ] - [ -0.0000128600000000, -0.0000074200000000, 0.0007948400000000 ] - [ 0.0000000000000000, 0.0000013000000000, 0.0010290900000000 ] - [ 0.0000128600000000, -0.0000074200000000, 0.0007948400000000 ] - [ 0.0000899900000000, 0.0001265600000000, 0.0009695900000000 ] - [ -0.0000899900000000, 0.0001265600000000, 0.0009695900000000 ] - [ 0.0000011300000000, -0.0000006500000000, 0.0010290900000000 ] - [ -0.0000011300000000, -0.0000006500000000, 0.0010290900000000 ] - [ 0.0001546000000000, 0.0000146600000000, 0.0009695900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010545800000000 ] - [ -0.0001546000000000, 0.0000146600000000, 0.0009695900000000 ] - [ 0.0000000000000000, 0.0000148500000000, 0.0007948400000000 ] - [ 0.0115392600000000, -0.0066622000000000, -0.0067765400000000 ] - [ 0.0000646000000000, -0.0001412100000000, 0.0009695900000000 ] - [ -0.0000646000000000, -0.0001412100000000, 0.0009695900000000 ] - [ -0.0115392600000000, -0.0066622000000000, -0.0067765400000000 ] - [ -0.0004665300000000, -0.0002693500000000, 0.0029879000000000 ] - [ -0.0000575500000000, -0.0000406200000000, 0.0013056500000000 ] - [ 0.0000575500000000, -0.0000406200000000, 0.0013056500000000 ] - [ 0.0004665300000000, -0.0002693500000000, 0.0029879000000000 ] - [ 0.0000000000000000, -0.0000313300000000, 0.0014188400000000 ] - [ -0.0000639500000000, -0.0000295300000000, 0.0013056500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012497800000000 ] - [ 0.0000639500000000, -0.0000295300000000, 0.0013056500000000 ] - [ -0.0000143500000000, -0.0000082900000000, 0.0012459300000000 ] - [ 0.0000143500000000, -0.0000082900000000, 0.0012459300000000 ] - [ -0.0000064000000000, 0.0000701500000000, 0.0013056500000000 ] - [ 0.0000064000000000, 0.0000701500000000, 0.0013056500000000 ] - [ -0.0000271300000000, 0.0000156600000000, 0.0014188400000000 ] - [ 0.0000000000000000, 0.0000165700000000, 0.0012459300000000 ] - [ 0.0000271300000000, 0.0000156600000000, 0.0014188400000000 ] - [ 0.0000000000000000, 0.0005387000000000, 0.0029879000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0430397600000000 ] - [ 0.0009462500000000, -0.0004205800000000, 0.0005782800000000 ] - [ 0.0000000000000000, -0.0000961700000000, 0.0008731600000000 ] - [ -0.0009462500000000, -0.0004205800000000, 0.0005782800000000 ] - [ -0.0001088900000000, 0.0010297600000000, 0.0005782800000000 ] - [ 0.0001088900000000, 0.0010297600000000, 0.0005782800000000 ] - [ 0.0000743300000000, 0.0000429200000000, 0.0009125100000000 ] - [ -0.0000743300000000, 0.0000429200000000, 0.0009125100000000 ] - [ 0.0000832800000000, 0.0000480800000000, 0.0008731600000000 ] - [ 0.0000000000000000, 0.0001411600000000, 0.0008751600000000 ] - [ -0.0000832800000000, 0.0000480800000000, 0.0008731600000000 ] - [ 0.0000000000000000, -0.0000858300000000, 0.0009125100000000 ] - [ 0.0008373500000000, -0.0006091900000000, 0.0005782800000000 ] - [ 0.0001222400000000, -0.0000705800000000, 0.0008751600000000 ] - [ -0.0001222400000000, -0.0000705800000000, 0.0008751600000000 ] - [ -0.0008373500000000, -0.0006091900000000, 0.0005782800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027999000000000 ] - [ -0.0013027500000000, -0.0009208600000000, 0.0014323400000000 ] - [ 0.0000000000000000, -0.0001116000000000, 0.0012137000000000 ] - [ 0.0013027500000000, -0.0009208600000000, 0.0014323400000000 ] - [ 0.0014488700000000, -0.0006677800000000, 0.0014323400000000 ] - [ -0.0014488700000000, -0.0006677800000000, 0.0014323400000000 ] - [ -0.0001539100000000, -0.0000888600000000, 0.0011986700000000 ] - [ 0.0001539100000000, -0.0000888600000000, 0.0011986700000000 ] - [ 0.0000966500000000, 0.0000558000000000, 0.0012137000000000 ] - [ 0.0000000000000000, -0.0001093800000000, 0.0011779400000000 ] - [ -0.0000966500000000, 0.0000558000000000, 0.0012137000000000 ] - [ 0.0000000000000000, 0.0001777200000000, 0.0011986700000000 ] - [ 0.0001461100000000, 0.0015886500000000, 0.0014323400000000 ] - [ -0.0000947200000000, 0.0000546900000000, 0.0011779400000000 ] - [ 0.0000947200000000, 0.0000546900000000, 0.0011779400000000 ] - [ -0.0001461100000000, 0.0015886500000000, 0.0014323400000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0041741900000000, -0.0000155800000000, -0.0012343900000000 ] - [ -0.0005489200000000, 0.0002907400000000, -0.0003832800000000 ] - [ -0.0005131400000000, 0.0000028300000000, -0.0013664800000000 ] - [ -0.0005452700000000, -0.0002850300000000, -0.0023464600000000 ] - [ 0.0002889500000000, 0.0006769100000000, -0.0022344900000000 ] - [ 0.0002889400000000, -0.0006717400000000, -0.0004962700000000 ] - [ -0.0003109500000000, -0.0001184700000000, -0.0012423900000000 ] - [ -0.0003106200000000, 0.0001248700000000, -0.0014902100000000 ] - [ -0.0000173400000000, 0.0002896100000000, -0.0014551200000000 ] - [ 0.0001272900000000, 0.0000033400000000, -0.0013657800000000 ] - [ -0.0000178800000000, -0.0002826300000000, -0.0012769900000000 ] - [ -0.0001000200000000, 0.0000035600000000, -0.0013659700000000 ] - [ 0.0002063800000000, 0.0002458200000000, -0.0012543500000000 ] - [ -0.0001907500000000, 0.0001872600000000, -0.0013024900000000 ] - [ -0.0001903200000000, -0.0001797300000000, -0.0014288700000000 ] - [ 0.0002048100000000, -0.0002399900000000, -0.0014789700000000 ] - [ 0.0002932300000000, 0.0005812000000000, -0.0023474900000000 ] - [ -0.0002740800000000, 0.0001280600000000, -0.0014883200000000 ] - [ -0.0002739100000000, -0.0001354700000000, -0.0012438100000000 ] - [ 0.0002928200000000, -0.0005878300000000, -0.0003861900000000 ] - [ 0.0013054600000000, -0.0000033900000000, -0.0013689100000000 ] - [ -0.0007140100000000, -0.0004327200000000, -0.0031346200000000 ] - [ -0.0005663000000000, -0.0000032200000000, -0.0013656900000000 ] - [ -0.0007155900000000, 0.0004280400000000, 0.0004075100000000 ] - [ 0.0002145100000000, 0.0001390700000000, -0.0013160700000000 ] - [ 0.0002145200000000, -0.0001455600000000, -0.0014156100000000 ] - [ -0.0002093500000000, -0.0002091400000000, -0.0014874200000000 ] - [ -0.0002095000000000, 0.0002028800000000, -0.0012444500000000 ] - [ -0.0000206200000000, 0.0002828400000000, -0.0014386600000000 ] - [ -0.0000452100000000, -0.0000033000000000, -0.0013660200000000 ] - [ -0.0000205400000000, -0.0002892300000000, -0.0012936300000000 ] - [ 0.0000306200000000, -0.0000040600000000, -0.0013651600000000 ] - [ 0.0034383500000000, 0.0001234100000000, -0.0008612300000000 ] - [ -0.0005735700000000, 0.0010535200000000, -0.0008255400000000 ] - [ -0.0004528200000000, -0.0000041800000000, -0.0008122200000000 ] - [ -0.0005708300000000, -0.0010592800000000, -0.0007988900000000 ] - [ 0.0305402400000000, -0.0155731000000000, -0.0119643000000000 ] - [ 0.0317832400000000, 0.0164455100000000, 0.0109670100000000 ] - [ -0.0016842100000000, 0.0000853000000000, -0.0007492400000000 ] - [ -0.0016937500000000, -0.0000949700000000, -0.0008768100000000 ] - [ -0.0006990600000000, 0.0017532400000000, -0.0009648900000000 ] - [ 0.0012573100000000, -0.0000060900000000, -0.0008111800000000 ] - [ -0.0006974800000000, -0.0017544500000000, -0.0006589600000000 ] - [ -0.0005367400000000, -0.0000028800000000, -0.0008120400000000 ] - [ 0.0002477300000000, -0.0000668400000000, -0.0009015000000000 ] - [ 0.0000114800000000, 0.0002651200000000, -0.0008111100000000 ] - [ 0.0000114200000000, -0.0002710100000000, -0.0008132900000000 ] - [ 0.0002470400000000, 0.0000619700000000, -0.0007231600000000 ] - [ 0.0002055400000000, 0.0000018200000000, -0.0008135100000000 ] - [ -0.0000463000000000, 0.0002061200000000, -0.0008383400000000 ] - [ -0.0001850100000000, 0.0000028600000000, -0.0008120100000000 ] - [ -0.0000463300000000, -0.0001997300000000, -0.0007853300000000 ] - [ 0.0006421900000000, -0.0002493800000000, -0.0003431500000000 ] - [ 0.0006422800000000, 0.0002548600000000, -0.0012812000000000 ] - [ -0.0003317400000000, 0.0000170300000000, -0.0008679200000000 ] - [ -0.0003310800000000, -0.0000121600000000, -0.0007546200000000 ] - [ -0.0000475200000000, 0.0002078600000000, -0.0007485200000000 ] - [ 0.0003051000000000, 0.0000028100000000, -0.0008120700000000 ] - [ -0.0000478700000000, -0.0002015500000000, -0.0008747100000000 ] - [ -0.0002189600000000, 0.0000031000000000, -0.0008118300000000 ] - [ -0.0000248200000000, 0.0001391200000000, -0.0008054500000000 ] - [ 0.0000150800000000, 0.0001185500000000, -0.0008263900000000 ] - [ 0.0000149300000000, -0.0001123600000000, -0.0007975900000000 ] - [ -0.0000250500000000, -0.0001329400000000, -0.0008184000000000 ] - [ -0.0723080700000000, -0.0010342500000000, 0.0004370000000000 ] - [ 0.0053801200000000, -0.0021043400000000, -0.0003417300000000 ] - [ 0.0011622700000000, 0.0000214300000000, 0.0011526000000000 ] - [ 0.0053378300000000, 0.0021594100000000, 0.0026553700000000 ] - [ -0.0010424300000000, -0.0058111300000000, 0.0035154800000000 ] - [ -0.0010333300000000, 0.0058301800000000, -0.0012073100000000 ] - [ 0.0007263000000000, 0.0002758000000000, 0.0009293800000000 ] - [ 0.0007280300000000, -0.0002591400000000, 0.0013824500000000 ] - [ -0.0003976800000000, -0.0008904100000000, 0.0014995100000000 ] - [ 0.0002639200000000, 0.0000099800000000, 0.0011549900000000 ] - [ -0.0003962700000000, 0.0009009400000000, 0.0008137000000000 ] - [ 0.0002639000000000, 0.0000093100000000, 0.0011553000000000 ] - [ -0.0010386000000000, -0.0015559600000000, 0.0020172300000000 ] - [ 0.0007286300000000, -0.0002588500000000, 0.0009362600000000 ] - [ 0.0007257100000000, 0.0002760800000000, 0.0013729000000000 ] - [ -0.0010362900000000, 0.0015571400000000, 0.0002917100000000 ] - [ -0.0001492500000000, 0.0001388000000000, 0.0018217000000000 ] - [ 0.0001762000000000, -0.0001337200000000, 0.0012463900000000 ] - [ 0.0001761400000000, 0.0001171200000000, 0.0010636500000000 ] - [ -0.0001484300000000, -0.0001558300000000, 0.0004894200000000 ] - [ 0.0001063000000000, -0.0000083500000000, 0.0011559800000000 ] - [ -0.0003642900000000, -0.0002106200000000, 0.0019581400000000 ] - [ 0.0004395700000000, -0.0000079900000000, 0.0011547600000000 ] - [ -0.0003650000000000, 0.0001948300000000, 0.0003497200000000 ] - [ -0.0001781800000000, -0.0000874900000000, 0.0011415100000000 ] - [ -0.0001777700000000, 0.0000706300000000, 0.0011686300000000 ] - [ 0.0002108400000000, 0.0001236800000000, 0.0012694900000000 ] - [ 0.0002107900000000, -0.0001404800000000, 0.0010404500000000 ] - [ 0.0000391100000000, -0.0002129600000000, 0.0012330700000000 ] - [ -0.0000123000000000, -0.0000083400000000, 0.0011550700000000 ] - [ 0.0000394200000000, 0.0001959500000000, 0.0010774600000000 ] - [ -0.0000135400000000, -0.0000079300000000, 0.0011546800000000 ] - [ -0.0006078800000000, 0.0000102400000000, 0.0010205500000000 ] - [ 0.0002583900000000, -0.0003041300000000, 0.0014562900000000 ] - [ 0.0004091200000000, 0.0000096200000000, 0.0010235000000000 ] - [ 0.0002581800000000, 0.0003237000000000, 0.0005935800000000 ] - [ -0.0010460200000000, 0.0002593000000000, -0.0052677400000000 ] - [ -0.0010377600000000, -0.0002418300000000, 0.0073218500000000 ] - [ 0.0007210000000000, -0.0001146800000000, 0.0013606600000000 ] - [ 0.0007227100000000, 0.0001344600000000, 0.0006835200000000 ] - [ 0.0000108500000000, -0.0007102100000000, 0.0005105000000000 ] - [ -0.0002854400000000, 0.0000100300000000, 0.0010237500000000 ] - [ 0.0000110800000000, 0.0007277700000000, 0.0015351600000000 ] - [ 0.0002431400000000, 0.0000094200000000, 0.0010232400000000 ] - [ -0.0001488900000000, -0.0001843900000000, 0.0008497000000000 ] - [ 0.0001152100000000, -0.0001603600000000, 0.0010542500000000 ] - [ 0.0001150500000000, 0.0001791100000000, 0.0009928200000000 ] - [ -0.0001478500000000, 0.0002033600000000, 0.0011972200000000 ] - [ 0.0001347600000000, -0.0000041600000000, 0.0010241900000000 ] - [ -0.0000508200000000, -0.0006497100000000, 0.0009018800000000 ] - [ 0.0002141100000000, -0.0000082700000000, 0.0010231700000000 ] - [ -0.0000505000000000, 0.0006298500000000, 0.0011432600000000 ] - [ -0.0011997800000000, 0.0007660600000000, 0.0028117800000000 ] - [ -0.0012000600000000, -0.0007750600000000, -0.0007742300000000 ] - [ 0.0006834800000000, 0.0001994500000000, 0.0010060800000000 ] - [ 0.0006802900000000, -0.0002140500000000, 0.0010397500000000 ] - [ 0.0003938300000000, -0.0002102600000000, 0.0010571300000000 ] - [ -0.0011587800000000, -0.0000089200000000, 0.0010232000000000 ] - [ 0.0003945200000000, 0.0001932400000000, 0.0009894100000000 ] - [ 0.0004670900000000, -0.0000087200000000, 0.0010231500000000 ] - [ 0.0001844700000000, -0.0002605200000000, 0.0010402500000000 ] - [ -0.0001590100000000, -0.0002241400000000, 0.0010003100000000 ] - [ -0.0001583500000000, 0.0002063200000000, 0.0010461200000000 ] - [ 0.0001840400000000, 0.0002427900000000, 0.0010061600000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0417569800000000 ] - [ 0.0012379000000000, 0.0003153000000000, -0.0008629300000000 ] - [ 0.0000000000000000, 0.0000444900000000, -0.0012072400000000 ] - [ -0.0012379000000000, 0.0003153000000000, -0.0008629300000000 ] - [ -0.0008920100000000, 0.0009144000000000, -0.0008629300000000 ] - [ 0.0008920100000000, 0.0009144000000000, -0.0008629300000000 ] - [ 0.0001147900000000, 0.0000662700000000, -0.0012174700000000 ] - [ -0.0001147900000000, 0.0000662700000000, -0.0012174700000000 ] - [ -0.0000385300000000, -0.0000222400000000, -0.0012072400000000 ] - [ 0.0000000000000000, 0.0001431300000000, -0.0012494600000000 ] - [ 0.0000385300000000, -0.0000222400000000, -0.0012072400000000 ] - [ 0.0000000000000000, -0.0001325500000000, -0.0012174700000000 ] - [ 0.0003458900000000, -0.0012297100000000, -0.0008629300000000 ] - [ 0.0001239500000000, -0.0000715600000000, -0.0012494600000000 ] - [ -0.0001239500000000, -0.0000715600000000, -0.0012494600000000 ] - [ -0.0003458900000000, -0.0012297100000000, -0.0008629300000000 ] - [ -0.0002311500000000, 0.0001334500000000, -0.0024410400000000 ] - [ -0.0000567100000000, 0.0000120000000000, -0.0015404100000000 ] - [ 0.0000567100000000, 0.0000120000000000, -0.0015404100000000 ] - [ 0.0002311500000000, 0.0001334500000000, -0.0024410400000000 ] - [ 0.0000000000000000, -0.0002669100000000, -0.0024410400000000 ] - [ 0.0001397900000000, 0.0000807100000000, -0.0017743100000000 ] - [ 0.0000000000000000, -0.0000288900000000, -0.0015773500000000 ] - [ -0.0001397900000000, 0.0000807100000000, -0.0017743100000000 ] - [ 0.0000179600000000, -0.0000551200000000, -0.0015404100000000 ] - [ -0.0000179600000000, -0.0000551200000000, -0.0015404100000000 ] - [ -0.0000250200000000, 0.0000144500000000, -0.0015773500000000 ] - [ 0.0000250200000000, 0.0000144500000000, -0.0015773500000000 ] - [ -0.0000387500000000, 0.0000431100000000, -0.0015404100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014575800000000 ] - [ 0.0000387500000000, 0.0000431100000000, -0.0015404100000000 ] - [ 0.0000000000000000, -0.0001614100000000, -0.0017743100000000 ] - [ 0.0000000000000000, -0.0132354300000000, 0.0071370200000000 ] - [ -0.0005651700000000, 0.0003263000000000, -0.0004649900000000 ] - [ 0.0000000000000000, 0.0000727700000000, -0.0006953800000000 ] - [ 0.0005651700000000, 0.0003263000000000, -0.0004649900000000 ] - [ -0.0114622200000000, 0.0066177200000000, 0.0071370200000000 ] - [ 0.0114622200000000, 0.0066177200000000, 0.0071370200000000 ] - [ -0.0007984400000000, 0.0001485700000000, -0.0006347200000000 ] - [ 0.0007984400000000, 0.0001485700000000, -0.0006347200000000 ] - [ 0.0002705600000000, -0.0007657600000000, -0.0006347200000000 ] - [ 0.0000000000000000, -0.0006526000000000, -0.0004649900000000 ] - [ -0.0002705600000000, -0.0007657600000000, -0.0006347200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007281600000000 ] - [ -0.0005278800000000, 0.0006171900000000, -0.0006347200000000 ] - [ -0.0000630200000000, -0.0000363800000000, -0.0006953800000000 ] - [ 0.0000630200000000, -0.0000363800000000, -0.0006953800000000 ] - [ 0.0005278800000000, 0.0006171900000000, -0.0006347200000000 ] - [ 0.0000000000000000, -0.0014120800000000, -0.0026625500000000 ] - [ 0.0001299200000000, -0.0000750100000000, -0.0010845900000000 ] - [ 0.0000000000000000, -0.0000290900000000, -0.0009105000000000 ] - [ -0.0001299200000000, -0.0000750100000000, -0.0010845900000000 ] - [ -0.0012229000000000, 0.0007060400000000, -0.0026625500000000 ] - [ 0.0012229000000000, 0.0007060400000000, -0.0026625500000000 ] - [ 0.0001780300000000, 0.0000480200000000, -0.0009703700000000 ] - [ -0.0001780300000000, 0.0000480200000000, -0.0009703700000000 ] - [ -0.0001306000000000, 0.0001301700000000, -0.0009703700000000 ] - [ 0.0000000000000000, 0.0001500100000000, -0.0010845900000000 ] - [ 0.0001306000000000, 0.0001301700000000, -0.0009703700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009162200000000 ] - [ 0.0000474300000000, -0.0001781800000000, -0.0009703700000000 ] - [ 0.0000252000000000, 0.0000145500000000, -0.0009105000000000 ] - [ -0.0000252000000000, 0.0000145500000000, -0.0009105000000000 ] - [ -0.0000474300000000, -0.0001781800000000, -0.0009703700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0685034900000000 ] - [ 0.0014968100000000, -0.0018632400000000, -0.0007569000000000 ] - [ 0.0000000000000000, -0.0003947400000000, 0.0004660100000000 ] - [ -0.0014968100000000, -0.0018632400000000, -0.0007569000000000 ] - [ 0.0008652100000000, 0.0022279000000000, -0.0007569000000000 ] - [ -0.0008652100000000, 0.0022279000000000, -0.0007569000000000 ] - [ 0.0002178300000000, 0.0001257600000000, 0.0006961100000000 ] - [ -0.0002178300000000, 0.0001257600000000, 0.0006961100000000 ] - [ 0.0003418500000000, 0.0001973700000000, 0.0004660100000000 ] - [ 0.0000000000000000, 0.0002612700000000, 0.0006975400000000 ] - [ -0.0003418500000000, 0.0001973700000000, 0.0004660100000000 ] - [ 0.0000000000000000, -0.0002515300000000, 0.0006961100000000 ] - [ 0.0023620200000000, -0.0003646600000000, -0.0007569000000000 ] - [ 0.0002262700000000, -0.0001306400000000, 0.0006975400000000 ] - [ -0.0002262700000000, -0.0001306400000000, 0.0006975400000000 ] - [ -0.0023620200000000, -0.0003646600000000, -0.0007569000000000 ] - [ -0.0006675700000000, 0.0003854200000000, 0.0024050000000000 ] - [ -0.0000913200000000, 0.0000375200000000, 0.0014370000000000 ] - [ 0.0000913200000000, 0.0000375200000000, 0.0014370000000000 ] - [ 0.0006675700000000, 0.0003854200000000, 0.0024050000000000 ] - [ 0.0000000000000000, -0.0007708400000000, 0.0024050000000000 ] - [ -0.0008054100000000, -0.0004650000000000, 0.0015819100000000 ] - [ 0.0000000000000000, -0.0001321100000000, 0.0014305800000000 ] - [ 0.0008054100000000, -0.0004650000000000, 0.0015819100000000 ] - [ 0.0000131700000000, -0.0000978500000000, 0.0014370000000000 ] - [ -0.0000131700000000, -0.0000978500000000, 0.0014370000000000 ] - [ -0.0001144100000000, 0.0000660600000000, 0.0014305800000000 ] - [ 0.0001144100000000, 0.0000660600000000, 0.0014305800000000 ] - [ -0.0000781600000000, 0.0000603300000000, 0.0014370000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013287600000000 ] - [ 0.0000781600000000, 0.0000603300000000, 0.0014370000000000 ] - [ 0.0000000000000000, 0.0009300100000000, 0.0015819100000000 ] - [ 0.0000000000000000, -0.0017801600000000, 0.0032964700000000 ] - [ 0.0002485300000000, -0.0001434900000000, 0.0011707900000000 ] - [ 0.0000000000000000, -0.0000453400000000, 0.0010970000000000 ] - [ -0.0002485300000000, -0.0001434900000000, 0.0011707900000000 ] - [ -0.0015416700000000, 0.0008900800000000, 0.0032964700000000 ] - [ 0.0015416700000000, 0.0008900800000000, 0.0032964700000000 ] - [ -0.0000078700000000, 0.0000646700000000, 0.0013172700000000 ] - [ 0.0000078700000000, 0.0000646700000000, 0.0013172700000000 ] - [ -0.0000520700000000, -0.0000391500000000, 0.0013172700000000 ] - [ 0.0000000000000000, 0.0002869800000000, 0.0011707900000000 ] - [ 0.0000520700000000, -0.0000391500000000, 0.0013172700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011206200000000 ] - [ -0.0000599400000000, -0.0000255200000000, 0.0013172700000000 ] - [ 0.0000392600000000, 0.0000226700000000, 0.0010970000000000 ] - [ -0.0000392600000000, 0.0000226700000000, 0.0010970000000000 ] - [ 0.0000599400000000, -0.0000255200000000, 0.0013172700000000 ] - [ 0.0000000000000000, 0.0072581700000000, 0.0031103300000000 ] - [ -0.0004503000000000, 0.0002599800000000, 0.0013226900000000 ] - [ 0.0000000000000000, 0.0000374900000000, 0.0011125100000000 ] - [ 0.0004503000000000, 0.0002599800000000, 0.0013226900000000 ] - [ 0.0062857600000000, -0.0036290900000000, 0.0031103300000000 ] - [ -0.0062857600000000, -0.0036290900000000, 0.0031103300000000 ] - [ -0.0003851300000000, -0.0004031600000000, 0.0012728700000000 ] - [ 0.0003851300000000, -0.0004031600000000, 0.0012728700000000 ] - [ 0.0005417100000000, -0.0001319500000000, 0.0012728700000000 ] - [ 0.0000000000000000, -0.0005199700000000, 0.0013226900000000 ] - [ -0.0005417100000000, -0.0001319500000000, 0.0012728700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011109700000000 ] - [ 0.0001565800000000, 0.0005351100000000, 0.0012728700000000 ] - [ -0.0000324700000000, -0.0000187500000000, 0.0011125100000000 ] - [ 0.0000324700000000, -0.0000187500000000, 0.0011125100000000 ] - [ -0.0001565800000000, 0.0005351100000000, 0.0012728700000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0470613900000000 ] - [ -0.0012386900000000, -0.0003168300000000, -0.0018653600000000 ] - [ 0.0000000000000000, -0.0000443700000000, -0.0015265800000000 ] - [ 0.0012386900000000, -0.0003168300000000, -0.0018653600000000 ] - [ 0.0008937300000000, -0.0009143200000000, -0.0018653600000000 ] - [ -0.0008937300000000, -0.0009143200000000, -0.0018653600000000 ] - [ -0.0001175900000000, -0.0000678900000000, -0.0015156600000000 ] - [ 0.0001175900000000, -0.0000678900000000, -0.0015156600000000 ] - [ 0.0000384300000000, 0.0000221800000000, -0.0015265800000000 ] - [ 0.0000000000000000, -0.0001452900000000, -0.0014850900000000 ] - [ -0.0000384300000000, 0.0000221800000000, -0.0015265800000000 ] - [ 0.0000000000000000, 0.0001357800000000, -0.0015156600000000 ] - [ -0.0003449600000000, 0.0012311500000000, -0.0018653600000000 ] - [ -0.0001258200000000, 0.0000726400000000, -0.0014850900000000 ] - [ 0.0001258200000000, 0.0000726400000000, -0.0014850900000000 ] - [ 0.0003449600000000, 0.0012311500000000, -0.0018653600000000 ] - [ 0.0002280900000000, -0.0001316900000000, -0.0002858300000000 ] - [ 0.0000571600000000, -0.0000091600000000, -0.0011911000000000 ] - [ -0.0000571600000000, -0.0000091600000000, -0.0011911000000000 ] - [ -0.0002280900000000, -0.0001316900000000, -0.0002858300000000 ] - [ 0.0000000000000000, 0.0002633800000000, -0.0002858300000000 ] - [ -0.0001370000000000, -0.0000791000000000, -0.0009537600000000 ] - [ 0.0000000000000000, 0.0000253700000000, -0.0011552100000000 ] - [ 0.0001370000000000, -0.0000791000000000, -0.0009537600000000 ] - [ -0.0000206400000000, 0.0000540800000000, -0.0011911000000000 ] - [ 0.0000206400000000, 0.0000540800000000, -0.0011911000000000 ] - [ 0.0000219700000000, -0.0000126900000000, -0.0011552100000000 ] - [ -0.0000219700000000, -0.0000126900000000, -0.0011552100000000 ] - [ 0.0000365200000000, -0.0000449200000000, -0.0011911000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012718200000000 ] - [ -0.0000365200000000, -0.0000449200000000, -0.0011911000000000 ] - [ 0.0000000000000000, 0.0001582000000000, -0.0009537600000000 ] - [ 0.0000000000000000, 0.0131488900000000, -0.0088400300000000 ] - [ 0.0005654100000000, -0.0003264400000000, -0.0011615100000000 ] - [ 0.0000000000000000, -0.0000723400000000, -0.0009282900000000 ] - [ -0.0005654100000000, -0.0003264400000000, -0.0011615100000000 ] - [ 0.0113872700000000, -0.0065744500000000, -0.0088400300000000 ] - [ -0.0113872700000000, -0.0065744500000000, -0.0088400300000000 ] - [ 0.0007972300000000, -0.0001494200000000, -0.0009901400000000 ] - [ -0.0007972300000000, -0.0001494200000000, -0.0009901400000000 ] - [ -0.0002692100000000, 0.0007651400000000, -0.0009901400000000 ] - [ 0.0000000000000000, 0.0006528800000000, -0.0011615100000000 ] - [ 0.0002692100000000, 0.0007651400000000, -0.0009901400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008987500000000 ] - [ 0.0005280200000000, -0.0006157100000000, -0.0009901400000000 ] - [ 0.0000626500000000, 0.0000361700000000, -0.0009282900000000 ] - [ -0.0000626500000000, 0.0000361700000000, -0.0009282900000000 ] - [ -0.0005280200000000, -0.0006157100000000, -0.0009901400000000 ] - [ 0.0000000000000000, 0.0014063200000000, 0.0010216500000000 ] - [ -0.0001325500000000, 0.0000765300000000, -0.0005398400000000 ] - [ 0.0000000000000000, 0.0000265000000000, -0.0007136800000000 ] - [ 0.0001325500000000, 0.0000765300000000, -0.0005398400000000 ] - [ 0.0012179100000000, -0.0007031600000000, 0.0010216500000000 ] - [ -0.0012179100000000, -0.0007031600000000, 0.0010216500000000 ] - [ -0.0001790200000000, -0.0000479800000000, -0.0006528000000000 ] - [ 0.0001790200000000, -0.0000479800000000, -0.0006528000000000 ] - [ 0.0001310600000000, -0.0001310500000000, -0.0006528000000000 ] - [ 0.0000000000000000, -0.0001530500000000, -0.0005398400000000 ] - [ -0.0001310600000000, -0.0001310500000000, -0.0006528000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007083300000000 ] - [ -0.0000479600000000, 0.0001790300000000, -0.0006528000000000 ] - [ -0.0000229500000000, -0.0000132500000000, -0.0007136800000000 ] - [ 0.0000229500000000, -0.0000132500000000, -0.0007136800000000 ] - [ 0.0000479600000000, 0.0001790300000000, -0.0006528000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0734209700000000 ] - [ -0.0014998500000000, 0.0018571800000000, 0.0030783300000000 ] - [ 0.0000000000000000, 0.0003948600000000, 0.0018495600000000 ] - [ 0.0014998500000000, 0.0018571800000000, 0.0030783300000000 ] - [ -0.0008584300000000, -0.0022275000000000, 0.0030783300000000 ] - [ 0.0008584300000000, -0.0022275000000000, 0.0030783300000000 ] - [ -0.0002182900000000, -0.0001260300000000, 0.0016191500000000 ] - [ 0.0002182900000000, -0.0001260300000000, 0.0016191500000000 ] - [ -0.0003419600000000, -0.0001974300000000, 0.0018495600000000 ] - [ 0.0000000000000000, -0.0002620100000000, 0.0016193000000000 ] - [ 0.0003419600000000, -0.0001974300000000, 0.0018495600000000 ] - [ 0.0000000000000000, 0.0002520600000000, 0.0016191500000000 ] - [ -0.0023582900000000, 0.0003703200000000, 0.0030783300000000 ] - [ -0.0002269100000000, 0.0001310100000000, 0.0016193000000000 ] - [ 0.0002269100000000, 0.0001310100000000, 0.0016193000000000 ] - [ 0.0023582900000000, 0.0003703200000000, 0.0030783300000000 ] - [ 0.0006647700000000, -0.0003838000000000, -0.0000847300000000 ] - [ 0.0000915300000000, -0.0000370700000000, 0.0008778300000000 ] - [ -0.0000915300000000, -0.0000370700000000, 0.0008778300000000 ] - [ -0.0006647700000000, -0.0003838000000000, -0.0000847300000000 ] - [ 0.0000000000000000, 0.0007676000000000, -0.0000847300000000 ] - [ 0.0008027100000000, 0.0004634400000000, 0.0007322000000000 ] - [ 0.0000000000000000, 0.0001325900000000, 0.0008848700000000 ] - [ -0.0008027100000000, 0.0004634400000000, 0.0007322000000000 ] - [ -0.0000136600000000, 0.0000978000000000, 0.0008778300000000 ] - [ 0.0000136600000000, 0.0000978000000000, 0.0008778300000000 ] - [ 0.0001148300000000, -0.0000662900000000, 0.0008848700000000 ] - [ -0.0001148300000000, -0.0000662900000000, 0.0008848700000000 ] - [ 0.0000778600000000, -0.0000607300000000, 0.0008778300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009861700000000 ] - [ -0.0000778600000000, -0.0000607300000000, 0.0008778300000000 ] - [ 0.0000000000000000, -0.0009268900000000, 0.0007322000000000 ] - [ 0.0000000000000000, 0.0017559400000000, -0.0012368300000000 ] - [ -0.0002461200000000, 0.0001421000000000, 0.0008754100000000 ] - [ 0.0000000000000000, 0.0000451100000000, 0.0009508700000000 ] - [ 0.0002461200000000, 0.0001421000000000, 0.0008754100000000 ] - [ 0.0015206900000000, -0.0008779700000000, -0.0012368300000000 ] - [ -0.0015206900000000, -0.0008779700000000, -0.0012368300000000 ] - [ 0.0000064500000000, -0.0000644700000000, 0.0007310900000000 ] - [ -0.0000064500000000, -0.0000644700000000, 0.0007310900000000 ] - [ 0.0000526000000000, 0.0000378200000000, 0.0007310900000000 ] - [ 0.0000000000000000, -0.0002842000000000, 0.0008754100000000 ] - [ -0.0000526000000000, 0.0000378200000000, 0.0007310900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009287700000000 ] - [ 0.0000590600000000, 0.0000266400000000, 0.0007310900000000 ] - [ -0.0000390600000000, -0.0000225500000000, 0.0009508700000000 ] - [ 0.0000390600000000, -0.0000225500000000, 0.0009508700000000 ] - [ -0.0000590600000000, 0.0000266400000000, 0.0007310900000000 ] - [ 0.0000000000000000, -0.0072654300000000, -0.0010890300000000 ] - [ 0.0004508800000000, -0.0002603100000000, 0.0007252200000000 ] - [ 0.0000000000000000, -0.0000370600000000, 0.0009356500000000 ] - [ -0.0004508800000000, -0.0002603100000000, 0.0007252200000000 ] - [ -0.0062920500000000, 0.0036327200000000, -0.0010890300000000 ] - [ 0.0062920500000000, 0.0036327200000000, -0.0010890300000000 ] - [ 0.0003862400000000, 0.0004046100000000, 0.0007745500000000 ] - [ -0.0003862400000000, 0.0004046100000000, 0.0007745500000000 ] - [ -0.0005435200000000, 0.0001321900000000, 0.0007745500000000 ] - [ 0.0000000000000000, 0.0005206300000000, 0.0007252200000000 ] - [ 0.0005435200000000, 0.0001321900000000, 0.0007745500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009365700000000 ] - [ -0.0001572800000000, -0.0005368000000000, 0.0007745500000000 ] - [ 0.0000320900000000, 0.0000185300000000, 0.0009356500000000 ] - [ -0.0000320900000000, 0.0000185300000000, 0.0009356500000000 ] - [ 0.0001572800000000, -0.0005368000000000, 0.0007745500000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002337700000000, 0.0000059100000000, -0.0013684700000000 ] - [ -0.0000495500000000, -0.0000449600000000, -0.0013690700000000 ] - [ -0.0002706700000000, 0.0000025000000000, -0.0013682000000000 ] - [ -0.0000480000000000, 0.0000499300000000, -0.0013689400000000 ] - [ 0.0001068400000000, 0.0003201500000000, -0.0012967600000000 ] - [ 0.0001050400000000, -0.0003134200000000, -0.0014413200000000 ] - [ -0.0001159400000000, -0.0000840700000000, -0.0013729000000000 ] - [ -0.0001171200000000, 0.0000935500000000, -0.0013630500000000 ] - [ 0.0000047100000000, 0.0001327500000000, -0.0013182400000000 ] - [ -0.0000450700000000, 0.0000019100000000, -0.0013668100000000 ] - [ 0.0000068700000000, -0.0001259400000000, -0.0014178900000000 ] - [ 0.0000309900000000, 0.0000030700000000, -0.0013688600000000 ] - [ 0.0005312900000000, -0.0001666200000000, -0.0017244500000000 ] - [ -0.0003317200000000, 0.0001853900000000, -0.0013894000000000 ] - [ -0.0003308300000000, -0.0001765900000000, -0.0013444200000000 ] - [ 0.0005280300000000, 0.0001720700000000, -0.0010107900000000 ] - [ 0.0317528800000000, 0.0165941800000000, 0.0103687800000000 ] - [ -0.0016966200000000, 0.0000963400000000, -0.0013161100000000 ] - [ -0.0017052800000000, -0.0001063100000000, -0.0014210000000000 ] - [ 0.0305025700000000, -0.0157158900000000, -0.0124753500000000 ] - [ 0.0013324800000000, -0.0000042200000000, -0.0013674300000000 ] - [ -0.0007185500000000, -0.0017418500000000, -0.0012209300000000 ] - [ -0.0005632300000000, -0.0000012100000000, -0.0013685300000000 ] - [ -0.0007209800000000, 0.0017408500000000, -0.0015136300000000 ] - [ 0.0000535500000000, 0.0002723000000000, -0.0013774200000000 ] - [ 0.0000500400000000, -0.0002784400000000, -0.0013601100000000 ] - [ 0.0002121200000000, 0.0000669300000000, -0.0012736700000000 ] - [ 0.0002089000000000, -0.0000742500000000, -0.0014630600000000 ] - [ -0.0005891600000000, 0.0011066100000000, -0.0014052300000000 ] - [ -0.0004246600000000, -0.0000046500000000, -0.0013681300000000 ] - [ -0.0005873800000000, -0.0011097500000000, -0.0013311300000000 ] - [ 0.0031539500000000, 0.0001260900000000, -0.0014158200000000 ] - [ 0.0034184000000000, -0.0000073000000000, -0.0006704300000000 ] - [ -0.0005871400000000, 0.0003413100000000, 0.0001398200000000 ] - [ -0.0005143400000000, -0.0000046500000000, -0.0008098000000000 ] - [ -0.0005844500000000, -0.0003505900000000, -0.0017555300000000 ] - [ 0.0003203900000000, 0.0007428600000000, -0.0016469800000000 ] - [ 0.0003171700000000, -0.0007516300000000, 0.0000289200000000 ] - [ -0.0003026400000000, -0.0001181400000000, -0.0006869200000000 ] - [ -0.0003041600000000, 0.0001126700000000, -0.0009306900000000 ] - [ -0.0000093100000000, 0.0002883400000000, -0.0008929800000000 ] - [ 0.0001535700000000, -0.0000022400000000, -0.0008073800000000 ] - [ -0.0000091400000000, -0.0002939200000000, -0.0007256000000000 ] - [ -0.0001036700000000, -0.0000033900000000, -0.0008077600000000 ] - [ 0.0002151400000000, 0.0002327600000000, -0.0006996200000000 ] - [ -0.0001785000000000, 0.0001889600000000, -0.0007347500000000 ] - [ -0.0001798300000000, -0.0001954800000000, -0.0008826900000000 ] - [ 0.0002120000000000, -0.0002416100000000, -0.0009214900000000 ] - [ 0.0011507500000000, 0.0000019100000000, -0.0008104600000000 ] - [ -0.0004395600000000, 0.0005071200000000, -0.0021078700000000 ] - [ -0.0004978800000000, 0.0000021500000000, -0.0008091300000000 ] - [ -0.0004402400000000, -0.0005031600000000, 0.0004921100000000 ] - [ 0.0004007700000000, 0.0008008000000000, 0.0006350500000000 ] - [ 0.0004009500000000, -0.0007960300000000, -0.0022561300000000 ] - [ -0.0003346900000000, -0.0000995600000000, -0.0009621800000000 ] - [ -0.0003332200000000, 0.0001056800000000, -0.0006568000000000 ] - [ -0.0000476600000000, 0.0002614800000000, -0.0007130700000000 ] - [ 0.0002483200000000, 0.0000027100000000, -0.0008087000000000 ] - [ -0.0000477700000000, -0.0002562100000000, -0.0009058600000000 ] - [ -0.0001580800000000, 0.0000035200000000, -0.0008093000000000 ] - [ 0.0002348900000000, 0.0000803600000000, -0.0006648700000000 ] - [ -0.0001325900000000, 0.0002239800000000, -0.0009061300000000 ] - [ -0.0001332200000000, -0.0002168300000000, -0.0007153700000000 ] - [ 0.0002354800000000, -0.0000737500000000, -0.0009528700000000 ] - [ -0.0006074000000000, 0.0000076100000000, 0.0011576300000000 ] - [ 0.0002588500000000, 0.0003249400000000, 0.0009082400000000 ] - [ 0.0004092600000000, 0.0000098200000000, 0.0011557800000000 ] - [ 0.0002585800000000, -0.0003028200000000, 0.0014026700000000 ] - [ -0.0001483900000000, -0.0006173400000000, 0.0010963600000000 ] - [ -0.0001478700000000, 0.0006365500000000, 0.0012155000000000 ] - [ 0.0001154700000000, 0.0001787500000000, 0.0011168100000000 ] - [ 0.0001157300000000, -0.0001604100000000, 0.0011950300000000 ] - [ 0.0000109200000000, -0.0002770200000000, 0.0011031800000000 ] - [ 0.0002436100000000, 0.0000092100000000, 0.0011558100000000 ] - [ 0.0000116800000000, 0.0002949000000000, 0.0012081800000000 ] - [ -0.0002850700000000, 0.0000093200000000, 0.0011558600000000 ] - [ -0.0010422000000000, 0.0002565800000000, -0.0003796700000000 ] - [ 0.0007236100000000, -0.0002998000000000, 0.0011623300000000 ] - [ 0.0007206300000000, 0.0003171000000000, 0.0011480900000000 ] - [ -0.0010408300000000, -0.0002447400000000, 0.0026824900000000 ] - [ -0.0011958300000000, -0.0007786500000000, 0.0074483400000000 ] - [ 0.0006808400000000, 0.0000271800000000, 0.0015403200000000 ] - [ 0.0006823900000000, -0.0000436100000000, 0.0007686100000000 ] - [ -0.0012045900000000, 0.0007622400000000, -0.0051296700000000 ] - [ -0.0011587600000000, -0.0000079000000000, 0.0011564400000000 ] - [ 0.0003940600000000, 0.0003642200000000, 0.0016975500000000 ] - [ 0.0004670200000000, -0.0000084500000000, 0.0011557400000000 ] - [ 0.0003930600000000, -0.0003817000000000, 0.0006121300000000 ] - [ -0.0001588900000000, -0.0002235900000000, 0.0011880200000000 ] - [ -0.0001590200000000, 0.0002067600000000, 0.0011241500000000 ] - [ 0.0001842700000000, 0.0000719500000000, 0.0013129600000000 ] - [ 0.0001836000000000, -0.0000889500000000, 0.0009987600000000 ] - [ -0.0000507600000000, -0.0006475000000000, 0.0016082300000000 ] - [ 0.0002135800000000, -0.0000080800000000, 0.0011559400000000 ] - [ -0.0000511100000000, 0.0006321400000000, 0.0007074800000000 ] - [ 0.0001344500000000, -0.0000070900000000, 0.0011526400000000 ] - [ -0.0722489000000000, -0.0010401100000000, 0.0002838700000000 ] - [ 0.0054273700000000, -0.0021337900000000, -0.0004400800000000 ] - [ 0.0011884300000000, 0.0000215300000000, 0.0010196100000000 ] - [ 0.0053849600000000, 0.0021888700000000, 0.0024873600000000 ] - [ -0.0010745800000000, -0.0058860300000000, 0.0033167300000000 ] - [ -0.0010658300000000, 0.0059061000000000, -0.0012745900000000 ] - [ 0.0007483700000000, 0.0002835000000000, 0.0007920300000000 ] - [ 0.0007503300000000, -0.0002663100000000, 0.0012536500000000 ] - [ -0.0004114100000000, -0.0009134200000000, 0.0013683500000000 ] - [ 0.0002732000000000, 0.0000102200000000, 0.0010219500000000 ] - [ -0.0004099000000000, 0.0009236700000000, 0.0006787400000000 ] - [ 0.0002732800000000, 0.0000094000000000, 0.0010225800000000 ] - [ -0.0010709600000000, -0.0015723000000000, 0.0018533900000000 ] - [ 0.0007511500000000, -0.0002662900000000, 0.0008018400000000 ] - [ 0.0007476000000000, 0.0002837300000000, 0.0012414200000000 ] - [ -0.0010686900000000, 0.0015738900000000, 0.0001896100000000 ] - [ 0.0002526000000000, -0.0000085500000000, 0.0010223800000000 ] - [ -0.0002754500000000, -0.0002011300000000, 0.0016623400000000 ] - [ 0.0003458400000000, -0.0000081100000000, 0.0010221400000000 ] - [ -0.0002753500000000, 0.0001835400000000, 0.0003809100000000 ] - [ -0.0002161300000000, 0.0002170400000000, 0.0003516800000000 ] - [ -0.0002173500000000, -0.0002351100000000, 0.0016938500000000 ] - [ 0.0002796800000000, 0.0000325600000000, 0.0011695700000000 ] - [ 0.0002792500000000, -0.0000502200000000, 0.0008742200000000 ] - [ 0.0001416300000000, -0.0001263500000000, 0.0009367900000000 ] - [ -0.0004249400000000, -0.0000088300000000, 0.0010222300000000 ] - [ 0.0001420200000000, 0.0001092600000000, 0.0011076800000000 ] - [ 0.0002075600000000, -0.0000087200000000, 0.0010222000000000 ] - [ 0.0001167000000000, 0.0000254500000000, 0.0009919300000000 ] - [ -0.0000435600000000, -0.0002290400000000, 0.0010955500000000 ] - [ -0.0000429500000000, 0.0002118500000000, 0.0009491000000000 ] - [ 0.0001161600000000, -0.0000424700000000, 0.0010528400000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0011654600000000, -0.0033550000000000 ] - [ 0.0002243200000000, 0.0001295100000000, -0.0015775800000000 ] - [ 0.0000000000000000, 0.0000322300000000, -0.0014584800000000 ] - [ -0.0002243200000000, 0.0001295100000000, -0.0015775800000000 ] - [ -0.0000711600000000, 0.0001280000000000, -0.0014956200000000 ] - [ 0.0000711600000000, 0.0001280000000000, -0.0014956200000000 ] - [ 0.0000279200000000, -0.0000161200000000, -0.0014584800000000 ] - [ -0.0000279200000000, -0.0000161200000000, -0.0014584800000000 ] - [ 0.0000752800000000, -0.0001256200000000, -0.0014956200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014447700000000 ] - [ -0.0000752800000000, -0.0001256200000000, -0.0014956200000000 ] - [ 0.0000000000000000, -0.0002590200000000, -0.0015775800000000 ] - [ 0.0010093200000000, -0.0005827300000000, -0.0033550000000000 ] - [ 0.0001464300000000, -0.0000023800000000, -0.0014956200000000 ] - [ -0.0001464300000000, -0.0000023800000000, -0.0014956200000000 ] - [ -0.0010093200000000, -0.0005827300000000, -0.0033550000000000 ] - [ 0.0117222600000000, 0.0067678500000000, 0.0065577600000000 ] - [ -0.0007975000000000, 0.0001611300000000, -0.0011831500000000 ] - [ 0.0007975000000000, 0.0001611300000000, -0.0011831500000000 ] - [ -0.0117222600000000, 0.0067678500000000, 0.0065577600000000 ] - [ 0.0000000000000000, -0.0006633300000000, -0.0010655900000000 ] - [ -0.0002592100000000, -0.0007712200000000, -0.0011831500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012646100000000 ] - [ 0.0002592100000000, -0.0007712200000000, -0.0011831500000000 ] - [ -0.0000722100000000, -0.0000416900000000, -0.0012539800000000 ] - [ 0.0000722100000000, -0.0000416900000000, -0.0012539800000000 ] - [ 0.0005382900000000, 0.0006100900000000, -0.0011831500000000 ] - [ -0.0005382900000000, 0.0006100900000000, -0.0011831500000000 ] - [ -0.0005744600000000, 0.0003316700000000, -0.0010655900000000 ] - [ 0.0000000000000000, 0.0000833800000000, -0.0012539800000000 ] - [ 0.0005744600000000, 0.0003316700000000, -0.0010655900000000 ] - [ 0.0000000000000000, -0.0135357000000000, 0.0065577600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0432265000000000 ] - [ 0.0011682800000000, 0.0000500700000000, -0.0003658000000000 ] - [ 0.0000000000000000, 0.0000125100000000, -0.0006614000000000 ] - [ -0.0011682800000000, 0.0000500700000000, -0.0003658000000000 ] - [ -0.0006275100000000, 0.0009867300000000, -0.0003658000000000 ] - [ 0.0006275100000000, 0.0009867300000000, -0.0003658000000000 ] - [ 0.0001417400000000, 0.0000818300000000, -0.0006644200000000 ] - [ -0.0001417400000000, 0.0000818300000000, -0.0006644200000000 ] - [ -0.0000108300000000, -0.0000062500000000, -0.0006614000000000 ] - [ 0.0000000000000000, 0.0001154400000000, -0.0007018600000000 ] - [ 0.0000108300000000, -0.0000062500000000, -0.0006614000000000 ] - [ 0.0000000000000000, -0.0001636700000000, -0.0006644200000000 ] - [ 0.0005407800000000, -0.0010368000000000, -0.0003658000000000 ] - [ 0.0000999700000000, -0.0000577200000000, -0.0007018600000000 ] - [ -0.0000999700000000, -0.0000577200000000, -0.0007018600000000 ] - [ -0.0005407800000000, -0.0010368000000000, -0.0003658000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025911000000000 ] - [ -0.0000268300000000, 0.0000562800000000, -0.0012218400000000 ] - [ 0.0000000000000000, 0.0000346900000000, -0.0010021100000000 ] - [ 0.0000268300000000, 0.0000562800000000, -0.0012218400000000 ] - [ -0.0000353200000000, -0.0000513800000000, -0.0012218400000000 ] - [ 0.0000353200000000, -0.0000513800000000, -0.0012218400000000 ] - [ -0.0000002900000000, -0.0000001700000000, -0.0009872600000000 ] - [ 0.0000002900000000, -0.0000001700000000, -0.0009872600000000 ] - [ -0.0000300400000000, -0.0000173500000000, -0.0010021100000000 ] - [ 0.0000000000000000, -0.0000315700000000, -0.0009670400000000 ] - [ 0.0000300400000000, -0.0000173500000000, -0.0010021100000000 ] - [ 0.0000000000000000, 0.0000003400000000, -0.0009872600000000 ] - [ -0.0000621500000000, -0.0000049000000000, -0.0012218400000000 ] - [ -0.0000273400000000, 0.0000157800000000, -0.0009670400000000 ] - [ 0.0000273400000000, 0.0000157800000000, -0.0009670400000000 ] - [ 0.0000621500000000, -0.0000049000000000, -0.0012218400000000 ] - [ 0.0000000000000000, -0.0072660600000000, 0.0034086000000000 ] - [ -0.0004311800000000, -0.0002489400000000, 0.0013013600000000 ] - [ 0.0000000000000000, -0.0000358300000000, 0.0012273000000000 ] - [ 0.0004311800000000, -0.0002489400000000, 0.0013013600000000 ] - [ -0.0001737000000000, -0.0004903500000000, 0.0014468200000000 ] - [ 0.0001737000000000, -0.0004903500000000, 0.0014468200000000 ] - [ -0.0000310300000000, 0.0000179200000000, 0.0012273000000000 ] - [ 0.0000310300000000, 0.0000179200000000, 0.0012273000000000 ] - [ -0.0005115100000000, 0.0000947400000000, 0.0014468200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012497200000000 ] - [ 0.0005115100000000, 0.0000947400000000, 0.0014468200000000 ] - [ 0.0000000000000000, 0.0004978800000000, 0.0013013600000000 ] - [ -0.0062925900000000, 0.0036330300000000, 0.0034086000000000 ] - [ -0.0003378000000000, 0.0003956100000000, 0.0014468200000000 ] - [ 0.0003378000000000, 0.0003956100000000, 0.0014468200000000 ] - [ 0.0062925900000000, 0.0036330300000000, 0.0034086000000000 ] - [ 0.0018079200000000, 0.0010438100000000, 0.0032582900000000 ] - [ 0.0000166000000000, 0.0000297300000000, 0.0014029700000000 ] - [ -0.0000166000000000, 0.0000297300000000, 0.0014029700000000 ] - [ -0.0018079200000000, 0.0010438100000000, 0.0032582900000000 ] - [ 0.0000000000000000, 0.0001398000000000, 0.0014528800000000 ] - [ 0.0000340500000000, -0.0000004900000000, 0.0014029700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012418600000000 ] - [ -0.0000340500000000, -0.0000004900000000, 0.0014029700000000 ] - [ 0.0000228700000000, 0.0000132000000000, 0.0012428500000000 ] - [ -0.0000228700000000, 0.0000132000000000, 0.0012428500000000 ] - [ 0.0000174500000000, -0.0000292400000000, 0.0014029700000000 ] - [ -0.0000174500000000, -0.0000292400000000, 0.0014029700000000 ] - [ 0.0001210700000000, -0.0000699000000000, 0.0014528800000000 ] - [ 0.0000000000000000, -0.0000264000000000, 0.0012428500000000 ] - [ -0.0001210700000000, -0.0000699000000000, 0.0014528800000000 ] - [ 0.0000000000000000, -0.0020876100000000, 0.0032582900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0698684400000000 ] - [ 0.0014617300000000, -0.0018067500000000, -0.0008505700000000 ] - [ 0.0000000000000000, -0.0003965900000000, 0.0003490700000000 ] - [ -0.0014617300000000, -0.0018067500000000, -0.0008505700000000 ] - [ 0.0008338300000000, 0.0021692700000000, -0.0008505700000000 ] - [ -0.0008338300000000, 0.0021692700000000, -0.0008505700000000 ] - [ 0.0002199000000000, 0.0001269600000000, 0.0005590000000000 ] - [ -0.0002199000000000, 0.0001269600000000, 0.0005590000000000 ] - [ 0.0003434500000000, 0.0001982900000000, 0.0003490700000000 ] - [ 0.0000000000000000, 0.0002660100000000, 0.0005589100000000 ] - [ -0.0003434500000000, 0.0001982900000000, 0.0003490700000000 ] - [ 0.0000000000000000, -0.0002539100000000, 0.0005590000000000 ] - [ 0.0022955500000000, -0.0003625200000000, -0.0008505700000000 ] - [ 0.0002303700000000, -0.0001330000000000, 0.0005589100000000 ] - [ -0.0002303700000000, -0.0001330000000000, 0.0005589100000000 ] - [ -0.0022955500000000, -0.0003625200000000, -0.0008505700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037381700000000 ] - [ -0.0006414500000000, -0.0004060500000000, 0.0015281900000000 ] - [ 0.0000000000000000, -0.0000988700000000, 0.0013012300000000 ] - [ 0.0006414500000000, -0.0004060500000000, 0.0015281900000000 ] - [ 0.0006723800000000, -0.0003524800000000, 0.0015281900000000 ] - [ -0.0006723800000000, -0.0003524800000000, 0.0015281900000000 ] - [ -0.0001475900000000, -0.0000852100000000, 0.0012828900000000 ] - [ 0.0001475900000000, -0.0000852100000000, 0.0012828900000000 ] - [ 0.0000856300000000, 0.0000494400000000, 0.0013012300000000 ] - [ 0.0000000000000000, -0.0000846000000000, 0.0012434800000000 ] - [ -0.0000856300000000, 0.0000494400000000, 0.0013012300000000 ] - [ 0.0000000000000000, 0.0001704300000000, 0.0012828900000000 ] - [ 0.0000309300000000, 0.0007585300000000, 0.0015281900000000 ] - [ -0.0000732600000000, 0.0000423000000000, 0.0012434800000000 ] - [ 0.0000732600000000, 0.0000423000000000, 0.0012434800000000 ] - [ -0.0000309300000000, 0.0007585300000000, 0.0015281900000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0011616100000000, 0.0006089600000000 ] - [ -0.0002249900000000, -0.0001299000000000, -0.0011580500000000 ] - [ 0.0000000000000000, -0.0000331800000000, -0.0012772500000000 ] - [ 0.0002249900000000, -0.0001299000000000, -0.0011580500000000 ] - [ 0.0000701300000000, -0.0001278300000000, -0.0012397200000000 ] - [ -0.0000701300000000, -0.0001278300000000, -0.0012397200000000 ] - [ -0.0000287400000000, 0.0000165900000000, -0.0012772500000000 ] - [ 0.0000287400000000, 0.0000165900000000, -0.0012772500000000 ] - [ -0.0000756400000000, 0.0001246500000000, -0.0012397200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012884800000000 ] - [ 0.0000756400000000, 0.0001246500000000, -0.0012397200000000 ] - [ 0.0000000000000000, 0.0002598000000000, -0.0011580500000000 ] - [ -0.0010059900000000, 0.0005808100000000, 0.0006089600000000 ] - [ -0.0001457700000000, 0.0000031800000000, -0.0012397200000000 ] - [ 0.0001457700000000, 0.0000031800000000, -0.0012397200000000 ] - [ 0.0010059900000000, 0.0005808100000000, 0.0006089600000000 ] - [ -0.0116489600000000, -0.0067255300000000, -0.0093777500000000 ] - [ 0.0007988200000000, -0.0001622100000000, -0.0015526900000000 ] - [ -0.0007988200000000, -0.0001622100000000, -0.0015526900000000 ] - [ 0.0116489600000000, -0.0067255300000000, -0.0093777500000000 ] - [ 0.0000000000000000, 0.0006647300000000, -0.0016688600000000 ] - [ 0.0002589300000000, 0.0007729000000000, -0.0015526900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014739000000000 ] - [ -0.0002589300000000, 0.0007729000000000, -0.0015526900000000 ] - [ 0.0000710600000000, 0.0000410300000000, -0.0014792500000000 ] - [ -0.0000710600000000, 0.0000410300000000, -0.0014792500000000 ] - [ -0.0005398900000000, -0.0006106900000000, -0.0015526900000000 ] - [ 0.0005398900000000, -0.0006106900000000, -0.0015526900000000 ] - [ 0.0005756700000000, -0.0003323700000000, -0.0016688600000000 ] - [ 0.0000000000000000, -0.0000820500000000, -0.0014792500000000 ] - [ -0.0005756700000000, -0.0003323700000000, -0.0016688600000000 ] - [ 0.0000000000000000, 0.0134510500000000, -0.0093777500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0474771200000000 ] - [ -0.0011724400000000, -0.0000497600000000, -0.0012520300000000 ] - [ 0.0000000000000000, -0.0000121900000000, -0.0009575400000000 ] - [ 0.0011724400000000, -0.0000497600000000, -0.0012520300000000 ] - [ 0.0006293100000000, -0.0009904800000000, -0.0012520300000000 ] - [ -0.0006293100000000, -0.0009904800000000, -0.0012520300000000 ] - [ -0.0001416900000000, -0.0000818000000000, -0.0009565600000000 ] - [ 0.0001416900000000, -0.0000818000000000, -0.0009565600000000 ] - [ 0.0000105600000000, 0.0000061000000000, -0.0009575400000000 ] - [ 0.0000000000000000, -0.0001137300000000, -0.0009191700000000 ] - [ -0.0000105600000000, 0.0000061000000000, -0.0009575400000000 ] - [ 0.0000000000000000, 0.0001636100000000, -0.0009565600000000 ] - [ -0.0005431300000000, 0.0010402400000000, -0.0012520300000000 ] - [ -0.0000984900000000, 0.0000568700000000, -0.0009191700000000 ] - [ 0.0000984900000000, 0.0000568700000000, -0.0009191700000000 ] - [ 0.0005431300000000, 0.0010402400000000, -0.0012520300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009720900000000 ] - [ 0.0000242300000000, -0.0000574500000000, -0.0003968400000000 ] - [ 0.0000000000000000, -0.0000360300000000, -0.0006161900000000 ] - [ -0.0000242300000000, -0.0000574500000000, -0.0003968400000000 ] - [ 0.0000376400000000, 0.0000497000000000, -0.0003968400000000 ] - [ -0.0000376400000000, 0.0000497000000000, -0.0003968400000000 ] - [ -0.0000034500000000, -0.0000019900000000, -0.0006309100000000 ] - [ 0.0000034500000000, -0.0000019900000000, -0.0006309100000000 ] - [ 0.0000312100000000, 0.0000180200000000, -0.0006161900000000 ] - [ 0.0000000000000000, 0.0000320400000000, -0.0006532500000000 ] - [ -0.0000312100000000, 0.0000180200000000, -0.0006161900000000 ] - [ 0.0000000000000000, 0.0000039800000000, -0.0006309100000000 ] - [ 0.0000618700000000, 0.0000077500000000, -0.0003968400000000 ] - [ 0.0000277500000000, -0.0000160200000000, -0.0006532500000000 ] - [ -0.0000277500000000, -0.0000160200000000, -0.0006532500000000 ] - [ -0.0000618700000000, 0.0000077500000000, -0.0003968400000000 ] - [ 0.0000000000000000, 0.0072713800000000, -0.0011197000000000 ] - [ 0.0004317400000000, 0.0002492600000000, 0.0010107900000000 ] - [ 0.0000000000000000, 0.0000352500000000, 0.0010860400000000 ] - [ -0.0004317400000000, 0.0002492600000000, 0.0010107900000000 ] - [ 0.0001738200000000, 0.0004922900000000, 0.0008658700000000 ] - [ -0.0001738200000000, 0.0004922900000000, 0.0008658700000000 ] - [ 0.0000305200000000, -0.0000176200000000, 0.0010860400000000 ] - [ -0.0000305200000000, -0.0000176200000000, 0.0010860400000000 ] - [ 0.0005132400000000, -0.0000956100000000, 0.0008658700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010633700000000 ] - [ -0.0005132400000000, -0.0000956100000000, 0.0008658700000000 ] - [ 0.0000000000000000, -0.0004985300000000, 0.0010107900000000 ] - [ 0.0062972000000000, -0.0036356900000000, -0.0011197000000000 ] - [ 0.0003394200000000, -0.0003966700000000, 0.0008658700000000 ] - [ -0.0003394200000000, -0.0003966700000000, 0.0008658700000000 ] - [ -0.0062972000000000, -0.0036356900000000, -0.0011197000000000 ] - [ -0.0017777900000000, -0.0010264100000000, -0.0009357900000000 ] - [ -0.0000172000000000, -0.0000292700000000, 0.0009098300000000 ] - [ 0.0000172000000000, -0.0000292700000000, 0.0009098300000000 ] - [ 0.0017777900000000, -0.0010264100000000, -0.0009357900000000 ] - [ 0.0000000000000000, -0.0001390400000000, 0.0008603500000000 ] - [ -0.0000339500000000, -0.0000002600000000, 0.0009098300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010719500000000 ] - [ 0.0000339500000000, -0.0000002600000000, 0.0009098300000000 ] - [ -0.0000229000000000, -0.0000132200000000, 0.0010707100000000 ] - [ 0.0000229000000000, -0.0000132200000000, 0.0010707100000000 ] - [ -0.0000167400000000, 0.0000295300000000, 0.0009098300000000 ] - [ 0.0000167400000000, 0.0000295300000000, 0.0009098300000000 ] - [ -0.0001204200000000, 0.0000695200000000, 0.0008603500000000 ] - [ 0.0000000000000000, 0.0000264500000000, 0.0010707100000000 ] - [ 0.0001204200000000, 0.0000695200000000, 0.0008603500000000 ] - [ 0.0000000000000000, 0.0020528200000000, -0.0009357900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0746000800000000 ] - [ -0.0014656800000000, 0.0018019000000000, 0.0029044400000000 ] - [ 0.0000000000000000, 0.0003970800000000, 0.0016989800000000 ] - [ 0.0014656800000000, 0.0018019000000000, 0.0029044400000000 ] - [ -0.0008276500000000, -0.0021702700000000, 0.0029044400000000 ] - [ 0.0008276500000000, -0.0021702700000000, 0.0029044400000000 ] - [ -0.0002199300000000, -0.0001269700000000, 0.0014896300000000 ] - [ 0.0002199300000000, -0.0001269700000000, 0.0014896300000000 ] - [ -0.0003438800000000, -0.0001985400000000, 0.0016989800000000 ] - [ 0.0000000000000000, -0.0002666000000000, 0.0014898000000000 ] - [ 0.0003438800000000, -0.0001985400000000, 0.0016989800000000 ] - [ 0.0000000000000000, 0.0002539500000000, 0.0014896300000000 ] - [ -0.0022933300000000, 0.0003683700000000, 0.0029044400000000 ] - [ -0.0002308800000000, 0.0001333000000000, 0.0014898000000000 ] - [ 0.0002308800000000, 0.0001333000000000, 0.0014898000000000 ] - [ 0.0022933300000000, 0.0003683700000000, 0.0029044400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016582700000000 ] - [ 0.0006401100000000, 0.0004042900000000, 0.0005194000000000 ] - [ 0.0000000000000000, 0.0000988000000000, 0.0007463700000000 ] - [ -0.0006401100000000, 0.0004042900000000, 0.0005194000000000 ] - [ -0.0006701800000000, 0.0003522000000000, 0.0005194000000000 ] - [ 0.0006701800000000, 0.0003522000000000, 0.0005194000000000 ] - [ 0.0001474600000000, 0.0000851400000000, 0.0007647700000000 ] - [ -0.0001474600000000, 0.0000851400000000, 0.0007647700000000 ] - [ -0.0000855600000000, -0.0000494000000000, 0.0007463700000000 ] - [ 0.0000000000000000, 0.0000847000000000, 0.0008041100000000 ] - [ 0.0000855600000000, -0.0000494000000000, 0.0007463700000000 ] - [ 0.0000000000000000, -0.0001702800000000, 0.0007647700000000 ] - [ -0.0000300700000000, -0.0007565000000000, 0.0005194000000000 ] - [ 0.0000733500000000, -0.0000423500000000, 0.0008041100000000 ] - [ -0.0000733500000000, -0.0000423500000000, 0.0008041100000000 ] - [ 0.0000300700000000, -0.0007565000000000, 0.0005194000000000 ]