# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/6d8a4a9a-fd46-4459-8ad0-0b79d66ea380/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 RbScO2 / P6_3/mmc (194) / materials id 7650](https://mdr.nims.go.jp/datasets/db55ce1a-250a-4a1d-bd10-61d012495d6c) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P6_3/mmc" number: 194 Hall_symbol: "-P 6c 2c"supercell_matrix:- [ 4, 0, 0 ]- [ 0, 4, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 3.250678980000000, 0.000000000000000, 0.000000000000000 ] # a - [ -1.625339490000000, 2.815170580000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.744833220000000 ] # c points: - symbol: O # 1 coordinates: [ 0.333333330000000, 0.666666670000000, 0.583801040000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.083801040000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.333333330000000, 0.666666670000000, 0.916198960000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.666666670000000, 0.333333330000000, 0.416198960000000 ] mass: 15.999400 - symbol: Sc # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 44.955912 - symbol: Sc # 6 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 44.955912 - symbol: Rb # 7 coordinates: [ 0.333333330000000, 0.666666670000000, 0.250000000000000 ] mass: 85.467800 - symbol: Rb # 8 coordinates: [ 0.666666670000000, 0.333333330000000, 0.750000000000000 ] mass: 85.467800 reciprocal_lattice: # without 2pi - [ 0.307628038988950, 0.177609130882577, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.355218261765154, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.078463168778916 ] # c*unit_cell: lattice: - [ 3.250678980000000, 0.000000000000000, 0.000000000000000 ] # a - [ -1.625339490000000, 2.815170580000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.744833220000000 ] # c points: - symbol: O # 1 coordinates: [ 0.333333330000000, 0.666666670000000, 0.583801040000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.083801040000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.333333330000000, 0.666666670000000, 0.916198960000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.666666670000000, 0.333333330000000, 0.416198960000000 ] mass: 15.999400 reduced_to: 4 - symbol: Sc # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 44.955912 reduced_to: 5 - symbol: Sc # 6 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 44.955912 reduced_to: 6 - symbol: Rb # 7 coordinates: [ 0.333333330000000, 0.666666670000000, 0.250000000000000 ] mass: 85.467800 reduced_to: 7 - symbol: Rb # 8 coordinates: [ 0.666666670000000, 0.333333330000000, 0.750000000000000 ] mass: 85.467800 reduced_to: 8supercell: lattice: - [ 13.002715920000000, 0.000000000000000, 0.000000000000000 ] # a - [ -6.501357960000000, 11.260682320000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.744833220000000 ] # c points: - symbol: O # 1 coordinates: [ 0.083333332500000, 0.166666667500000, 0.583801040000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.333333332500000, 0.166666667500000, 0.583801040000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.583333332500000, 0.166666667500000, 0.583801040000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 4 coordinates: [ 0.833333332500000, 0.166666667500000, 0.583801040000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 5 coordinates: [ 0.083333332500000, 0.416666667500000, 0.583801040000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 6 coordinates: [ 0.333333332500000, 0.416666667500000, 0.583801040000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 7 coordinates: [ 0.583333332500000, 0.416666667500000, 0.583801040000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 8 coordinates: [ 0.833333332500000, 0.416666667500000, 0.583801040000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 9 coordinates: [ 0.083333332500000, 0.666666667500000, 0.583801040000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 10 coordinates: [ 0.333333332500000, 0.666666667500000, 0.583801040000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 11 coordinates: [ 0.583333332500000, 0.666666667500000, 0.583801040000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 12 coordinates: [ 0.833333332500000, 0.666666667500000, 0.583801040000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 13 coordinates: [ 0.083333332500000, 0.916666667500000, 0.583801040000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 14 coordinates: [ 0.333333332500000, 0.916666667500000, 0.583801040000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 15 coordinates: [ 0.583333332500000, 0.916666667500000, 0.583801040000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 16 coordinates: [ 0.833333332500000, 0.916666667500000, 0.583801040000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 17 coordinates: [ 0.166666667500000, 0.083333332500000, 0.083801040000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.416666667500000, 0.083333332500000, 0.083801040000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.666666667500000, 0.083333332500000, 0.083801040000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 20 coordinates: [ 0.916666667500000, 0.083333332500000, 0.083801040000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 21 coordinates: [ 0.166666667500000, 0.333333332500000, 0.083801040000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 22 coordinates: [ 0.416666667500000, 0.333333332500000, 0.083801040000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 23 coordinates: [ 0.666666667500000, 0.333333332500000, 0.083801040000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 24 coordinates: [ 0.916666667500000, 0.333333332500000, 0.083801040000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 25 coordinates: [ 0.166666667500000, 0.583333332500000, 0.083801040000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 26 coordinates: [ 0.416666667500000, 0.583333332500000, 0.083801040000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 27 coordinates: [ 0.666666667500000, 0.583333332500000, 0.083801040000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 28 coordinates: [ 0.916666667500000, 0.583333332500000, 0.083801040000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 29 coordinates: [ 0.166666667500000, 0.833333332500000, 0.083801040000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 30 coordinates: [ 0.416666667500000, 0.833333332500000, 0.083801040000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 31 coordinates: [ 0.666666667500000, 0.833333332500000, 0.083801040000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 32 coordinates: [ 0.916666667500000, 0.833333332500000, 0.083801040000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 33 coordinates: [ 0.083333332500000, 0.166666667500000, 0.916198960000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.333333332500000, 0.166666667500000, 0.916198960000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.583333332500000, 0.166666667500000, 0.916198960000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 36 coordinates: [ 0.833333332500000, 0.166666667500000, 0.916198960000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 37 coordinates: [ 0.083333332500000, 0.416666667500000, 0.916198960000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 38 coordinates: [ 0.333333332500000, 0.416666667500000, 0.916198960000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 39 coordinates: [ 0.583333332500000, 0.416666667500000, 0.916198960000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 40 coordinates: [ 0.833333332500000, 0.416666667500000, 0.916198960000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 41 coordinates: [ 0.083333332500000, 0.666666667500000, 0.916198960000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 42 coordinates: [ 0.333333332500000, 0.666666667500000, 0.916198960000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 43 coordinates: [ 0.583333332500000, 0.666666667500000, 0.916198960000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 44 coordinates: [ 0.833333332500000, 0.666666667500000, 0.916198960000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 45 coordinates: [ 0.083333332500000, 0.916666667500000, 0.916198960000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 46 coordinates: [ 0.333333332500000, 0.916666667500000, 0.916198960000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 47 coordinates: [ 0.583333332500000, 0.916666667500000, 0.916198960000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 48 coordinates: [ 0.833333332500000, 0.916666667500000, 0.916198960000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 49 coordinates: [ 0.166666667500000, 0.083333332500000, 0.416198960000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.416666667500000, 0.083333332500000, 0.416198960000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.666666667500000, 0.083333332500000, 0.416198960000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.916666667500000, 0.083333332500000, 0.416198960000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.166666667500000, 0.333333332500000, 0.416198960000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 54 coordinates: [ 0.416666667500000, 0.333333332500000, 0.416198960000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 55 coordinates: [ 0.666666667500000, 0.333333332500000, 0.416198960000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 56 coordinates: [ 0.916666667500000, 0.333333332500000, 0.416198960000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 57 coordinates: [ 0.166666667500000, 0.583333332500000, 0.416198960000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 58 coordinates: [ 0.416666667500000, 0.583333332500000, 0.416198960000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 59 coordinates: [ 0.666666667500000, 0.583333332500000, 0.416198960000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 60 coordinates: [ 0.916666667500000, 0.583333332500000, 0.416198960000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 61 coordinates: [ 0.166666667500000, 0.833333332500000, 0.416198960000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 62 coordinates: [ 0.416666667500000, 0.833333332500000, 0.416198960000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 63 coordinates: [ 0.666666667500000, 0.833333332500000, 0.416198960000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 64 coordinates: [ 0.916666667500000, 0.833333332500000, 0.416198960000000 ] mass: 15.999400 reduced_to: 49 - symbol: Sc # 65 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 44.955912 reduced_to: 65 - symbol: Sc # 66 coordinates: [ 0.250000000000000, 0.000000000000000, 0.000000000000000 ] mass: 44.955912 reduced_to: 65 - symbol: Sc # 67 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 44.955912 reduced_to: 65 - symbol: Sc # 68 coordinates: [ 0.750000000000000, 0.000000000000000, 0.000000000000000 ] mass: 44.955912 reduced_to: 65 - symbol: Sc # 69 coordinates: [ 0.000000000000000, 0.250000000000000, 0.000000000000000 ] mass: 44.955912 reduced_to: 65 - symbol: Sc # 70 coordinates: [ 0.250000000000000, 0.250000000000000, 0.000000000000000 ] mass: 44.955912 reduced_to: 65 - symbol: Sc # 71 coordinates: [ 0.500000000000000, 0.250000000000000, 0.000000000000000 ] mass: 44.955912 reduced_to: 65 - symbol: Sc # 72 coordinates: [ 0.750000000000000, 0.250000000000000, 0.000000000000000 ] mass: 44.955912 reduced_to: 65 - symbol: Sc # 73 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 44.955912 reduced_to: 65 - symbol: Sc # 74 coordinates: [ 0.250000000000000, 0.500000000000000, 0.000000000000000 ] mass: 44.955912 reduced_to: 65 - symbol: Sc # 75 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 44.955912 reduced_to: 65 - symbol: Sc # 76 coordinates: [ 0.750000000000000, 0.500000000000000, 0.000000000000000 ] mass: 44.955912 reduced_to: 65 - symbol: Sc # 77 coordinates: [ 0.000000000000000, 0.750000000000000, 0.000000000000000 ] mass: 44.955912 reduced_to: 65 - symbol: Sc # 78 coordinates: [ 0.250000000000000, 0.750000000000000, 0.000000000000000 ] mass: 44.955912 reduced_to: 65 - symbol: Sc # 79 coordinates: [ 0.500000000000000, 0.750000000000000, 0.000000000000000 ] mass: 44.955912 reduced_to: 65 - symbol: Sc # 80 coordinates: [ 0.750000000000000, 0.750000000000000, 0.000000000000000 ] mass: 44.955912 reduced_to: 65 - symbol: Sc # 81 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 44.955912 reduced_to: 81 - symbol: Sc # 82 coordinates: [ 0.250000000000000, 0.000000000000000, 0.500000000000000 ] mass: 44.955912 reduced_to: 81 - symbol: Sc # 83 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 44.955912 reduced_to: 81 - symbol: Sc # 84 coordinates: [ 0.750000000000000, 0.000000000000000, 0.500000000000000 ] mass: 44.955912 reduced_to: 81 - symbol: Sc # 85 coordinates: [ 0.000000000000000, 0.250000000000000, 0.500000000000000 ] mass: 44.955912 reduced_to: 81 - symbol: Sc # 86 coordinates: [ 0.250000000000000, 0.250000000000000, 0.500000000000000 ] mass: 44.955912 reduced_to: 81 - symbol: Sc # 87 coordinates: [ 0.500000000000000, 0.250000000000000, 0.500000000000000 ] mass: 44.955912 reduced_to: 81 - symbol: Sc # 88 coordinates: [ 0.750000000000000, 0.250000000000000, 0.500000000000000 ] mass: 44.955912 reduced_to: 81 - symbol: Sc # 89 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 44.955912 reduced_to: 81 - symbol: Sc # 90 coordinates: [ 0.250000000000000, 0.500000000000000, 0.500000000000000 ] mass: 44.955912 reduced_to: 81 - symbol: Sc # 91 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 44.955912 reduced_to: 81 - symbol: Sc # 92 coordinates: [ 0.750000000000000, 0.500000000000000, 0.500000000000000 ] mass: 44.955912 reduced_to: 81 - symbol: Sc # 93 coordinates: [ 0.000000000000000, 0.750000000000000, 0.500000000000000 ] mass: 44.955912 reduced_to: 81 - symbol: Sc # 94 coordinates: [ 0.250000000000000, 0.750000000000000, 0.500000000000000 ] mass: 44.955912 reduced_to: 81 - symbol: Sc # 95 coordinates: [ 0.500000000000000, 0.750000000000000, 0.500000000000000 ] mass: 44.955912 reduced_to: 81 - symbol: Sc # 96 coordinates: [ 0.750000000000000, 0.750000000000000, 0.500000000000000 ] mass: 44.955912 reduced_to: 81 - symbol: Rb # 97 coordinates: [ 0.083333332500000, 0.166666667500000, 0.250000000000000 ] mass: 85.467800 reduced_to: 97 - symbol: Rb # 98 coordinates: [ 0.333333332500000, 0.166666667500000, 0.250000000000000 ] mass: 85.467800 reduced_to: 97 - symbol: Rb # 99 coordinates: [ 0.583333332500000, 0.166666667500000, 0.250000000000000 ] mass: 85.467800 reduced_to: 97 - symbol: Rb # 100 coordinates: [ 0.833333332500000, 0.166666667500000, 0.250000000000000 ] mass: 85.467800 reduced_to: 97 - symbol: Rb # 101 coordinates: [ 0.083333332500000, 0.416666667500000, 0.250000000000000 ] mass: 85.467800 reduced_to: 97 - symbol: Rb # 102 coordinates: [ 0.333333332500000, 0.416666667500000, 0.250000000000000 ] mass: 85.467800 reduced_to: 97 - symbol: Rb # 103 coordinates: [ 0.583333332500000, 0.416666667500000, 0.250000000000000 ] mass: 85.467800 reduced_to: 97 - symbol: Rb # 104 coordinates: [ 0.833333332500000, 0.416666667500000, 0.250000000000000 ] mass: 85.467800 reduced_to: 97 - symbol: Rb # 105 coordinates: [ 0.083333332500000, 0.666666667500000, 0.250000000000000 ] mass: 85.467800 reduced_to: 97 - symbol: Rb # 106 coordinates: [ 0.333333332500000, 0.666666667500000, 0.250000000000000 ] mass: 85.467800 reduced_to: 97 - symbol: Rb # 107 coordinates: [ 0.583333332500000, 0.666666667500000, 0.250000000000000 ] mass: 85.467800 reduced_to: 97 - symbol: Rb # 108 coordinates: [ 0.833333332500000, 0.666666667500000, 0.250000000000000 ] mass: 85.467800 reduced_to: 97 - symbol: Rb # 109 coordinates: [ 0.083333332500000, 0.916666667500000, 0.250000000000000 ] mass: 85.467800 reduced_to: 97 - symbol: Rb # 110 coordinates: [ 0.333333332500000, 0.916666667500000, 0.250000000000000 ] mass: 85.467800 reduced_to: 97 - symbol: Rb # 111 coordinates: [ 0.583333332500000, 0.916666667500000, 0.250000000000000 ] mass: 85.467800 reduced_to: 97 - symbol: Rb # 112 coordinates: [ 0.833333332500000, 0.916666667500000, 0.250000000000000 ] mass: 85.467800 reduced_to: 97 - symbol: Rb # 113 coordinates: [ 0.166666667500000, 0.083333332500000, 0.750000000000000 ] mass: 85.467800 reduced_to: 113 - symbol: Rb # 114 coordinates: [ 0.416666667500000, 0.083333332500000, 0.750000000000000 ] mass: 85.467800 reduced_to: 113 - symbol: Rb # 115 coordinates: [ 0.666666667500000, 0.083333332500000, 0.750000000000000 ] mass: 85.467800 reduced_to: 113 - symbol: Rb # 116 coordinates: [ 0.916666667500000, 0.083333332500000, 0.750000000000000 ] mass: 85.467800 reduced_to: 113 - symbol: Rb # 117 coordinates: [ 0.166666667500000, 0.333333332500000, 0.750000000000000 ] mass: 85.467800 reduced_to: 113 - symbol: Rb # 118 coordinates: [ 0.416666667500000, 0.333333332500000, 0.750000000000000 ] mass: 85.467800 reduced_to: 113 - symbol: Rb # 119 coordinates: [ 0.666666667500000, 0.333333332500000, 0.750000000000000 ] mass: 85.467800 reduced_to: 113 - symbol: Rb # 120 coordinates: [ 0.916666667500000, 0.333333332500000, 0.750000000000000 ] mass: 85.467800 reduced_to: 113 - symbol: Rb # 121 coordinates: [ 0.166666667500000, 0.583333332500000, 0.750000000000000 ] mass: 85.467800 reduced_to: 113 - symbol: Rb # 122 coordinates: [ 0.416666667500000, 0.583333332500000, 0.750000000000000 ] mass: 85.467800 reduced_to: 113 - symbol: Rb # 123 coordinates: [ 0.666666667500000, 0.583333332500000, 0.750000000000000 ] mass: 85.467800 reduced_to: 113 - symbol: Rb # 124 coordinates: [ 0.916666667500000, 0.583333332500000, 0.750000000000000 ] mass: 85.467800 reduced_to: 113 - symbol: Rb # 125 coordinates: [ 0.166666667500000, 0.833333332500000, 0.750000000000000 ] mass: 85.467800 reduced_to: 113 - symbol: Rb # 126 coordinates: [ 0.416666667500000, 0.833333332500000, 0.750000000000000 ] mass: 85.467800 reduced_to: 113 - symbol: Rb # 127 coordinates: [ 0.666666667500000, 0.833333332500000, 0.750000000000000 ] mass: 85.467800 reduced_to: 113 - symbol: Rb # 128 coordinates: [ 0.916666667500000, 0.833333332500000, 0.750000000000000 ] mass: 85.467800 reduced_to: 113born_effective_charge:- # 1 (O) - [ -2.668770720000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -2.668770720000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.133805640000000 ]- # 2 (O) - [ -2.668770720000000, -0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -2.668770720000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.133805640000000 ]- # 3 (O) - [ -2.668770720000000, -0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -2.668770720000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.133805640000000 ]- # 4 (O) - [ -2.668770720000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -2.668770720000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.133805640000000 ]- # 5 (Sc) - [ 4.302180430000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 4.302180430000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.360760890000000 ]- # 6 (Sc) - [ 4.302180430000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 4.302180430000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.360760890000000 ]- # 7 (Rb) - [ 1.035361010000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 1.035361010000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.906850380000000 ]- # 8 (Rb) - [ 1.035361010000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 1.035361010000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.906850380000001 ]dielectric_constant: - [ 4.311790760000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 4.311790760000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.839187110000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0827985500000000, -0.0005879200000000, 0.0008296500000000 ] - [ 0.0115006200000000, -0.0017817300000000, -0.0001599900000000 ] - [ 0.0038326800000000, -0.0000038500000000, 0.0001582400000000 ] - [ 0.0113648500000000, 0.0017434200000000, 0.0004857400000000 ] - [ -0.0005143600000000, -0.0086439000000000, -0.0003064500000000 ] - [ -0.0005368300000000, 0.0086897700000000, 0.0006436100000000 ] - [ 0.0018135500000000, 0.0012211100000000, 0.0005606700000000 ] - [ 0.0018089700000000, -0.0012085500000000, -0.0002399400000000 ] - [ 0.0003542100000000, -0.0019987800000000, -0.0000112800000000 ] - [ -0.0002929500000000, 0.0000031200000000, 0.0001568600000000 ] - [ 0.0003626900000000, 0.0020118300000000, 0.0003275800000000 ] - [ -0.0002925700000000, 0.0000087500000000, 0.0001571800000000 ] - [ -0.0005545500000000, -0.0051347500000000, -0.0006392700000000 ] - [ 0.0018084200000000, -0.0012175900000000, 0.0002542000000000 ] - [ 0.0018140000000000, 0.0012119900000000, 0.0000639100000000 ] - [ -0.0004968200000000, 0.0051490500000000, 0.0009547700000000 ] - [ -0.0006285800000000, 0.0000141500000000, -0.0001097600000000 ] - [ 0.0006257300000000, -0.0001381900000000, -0.0000425300000000 ] - [ 0.0006279700000000, 0.0001367500000000, 0.0003537500000000 ] - [ -0.0006248300000000, -0.0000149600000000, 0.0004192800000000 ] - [ -0.0006015300000000, -0.0000007200000000, 0.0001578000000000 ] - [ -0.0000709600000000, 0.0003609300000000, -0.0002245600000000 ] - [ 0.0007402700000000, 0.0000003600000000, 0.0001523100000000 ] - [ -0.0000671600000000, -0.0003609100000000, 0.0005355600000000 ] - [ -0.0000808500000000, -0.0002715100000000, 0.0002600400000000 ] - [ -0.0000815000000000, 0.0002707100000000, 0.0000498200000000 ] - [ 0.0000688000000000, 0.0003897200000000, -0.0000228700000000 ] - [ 0.0000686100000000, -0.0003861500000000, 0.0003380400000000 ] - [ 0.0001560400000000, -0.0004087700000000, 0.0000635100000000 ] - [ 0.0003446800000000, -0.0000007700000000, 0.0001563100000000 ] - [ 0.0001583800000000, 0.0004087400000000, 0.0002534800000000 ] - [ -0.0006945000000000, 0.0000009600000000, 0.0001572700000000 ] - [ -0.0016944600000000, 0.0000013700000000, -0.0001646000000000 ] - [ 0.0005746400000000, 0.0004425300000000, 0.0013357300000000 ] - [ 0.0008501200000000, 0.0000004300000000, -0.0001544700000000 ] - [ 0.0005795400000000, -0.0004439600000000, -0.0016549200000000 ] - [ -0.0005589700000000, -0.0002167100000000, -0.0002807500000000 ] - [ -0.0005686100000000, 0.0002134800000000, -0.0000425000000000 ] - [ 0.0004474200000000, 0.0002986700000000, 0.0001966600000000 ] - [ 0.0004481700000000, -0.0002974800000000, -0.0005077600000000 ] - [ 0.0000637500000000, -0.0004535300000000, -0.0001752700000000 ] - [ -0.0000679000000000, -0.0000007300000000, -0.0001555000000000 ] - [ 0.0000634700000000, 0.0004542100000000, -0.0001390600000000 ] - [ -0.0000678600000000, 0.0000011500000000, -0.0001571700000000 ] - [ -0.0005650200000000, -0.0011016400000000, 0.0012181400000000 ] - [ 0.0004467400000000, -0.0002981100000000, 0.0001463100000000 ] - [ 0.0004484800000000, 0.0002968200000000, -0.0004604800000000 ] - [ -0.0005622900000000, 0.0011031800000000, -0.0015321000000000 ] - [ 0.0032131600000000, -0.0083594800000000, -0.0118210700000000 ] - [ 0.0025745800000000, -0.0008549300000000, -0.0009209900000000 ] - [ 0.0025765600000000, 0.0008424700000000, 0.0006015000000000 ] - [ 0.0032763700000000, 0.0082744400000000, 0.0114292000000000 ] - [ -0.0111604100000000, -0.0000272100000000, -0.0001345900000000 ] - [ 0.0098834900000000, 0.0061012800000000, -0.0049001200000000 ] - [ 0.0039760400000000, 0.0000052000000000, -0.0001607000000000 ] - [ 0.0097928100000000, -0.0060568900000000, 0.0045472200000000 ] - [ -0.0009944900000000, -0.0012097700000000, 0.0002354700000000 ] - [ -0.0009956800000000, 0.0012157800000000, -0.0005509900000000 ] - [ 0.0011673200000000, 0.0016331700000000, -0.0001943200000000 ] - [ 0.0011614700000000, -0.0016136500000000, -0.0001204300000000 ] - [ 0.0004689200000000, -0.0020628000000000, -0.0005222600000000 ] - [ 0.0006098900000000, -0.0000016300000000, -0.0001572100000000 ] - [ 0.0004811800000000, 0.0020601100000000, 0.0002112500000000 ] - [ -0.0006915300000000, 0.0000568800000000, -0.0001315700000000 ] - [ 0.0017830900000000, -0.0000023100000000, 0.0000019600000000 ] - [ -0.0003792100000000, 0.0004825000000000, -0.0005819600000000 ] - [ -0.0010517200000000, 0.0000009500000000, 0.0000022300000000 ] - [ -0.0003781500000000, -0.0004811600000000, 0.0005827500000000 ] - [ 0.0010535800000000, 0.0004168600000000, 0.0003288500000000 ] - [ 0.0010633200000000, -0.0004200900000000, -0.0003237100000000 ] - [ -0.0010566200000000, -0.0002774800000000, -0.0002129700000000 ] - [ -0.0010660900000000, 0.0002793100000000, 0.0002189800000000 ] - [ 0.0000593000000000, 0.0005816000000000, 0.0000451900000000 ] - [ 0.0004590400000000, 0.0000082900000000, 0.0000015700000000 ] - [ 0.0000627900000000, -0.0005810100000000, -0.0000441200000000 ] - [ -0.0005641500000000, -0.0000044000000000, -0.0000000700000000 ] - [ 0.0002453400000000, 0.0008234300000000, -0.0001721700000000 ] - [ -0.0002450600000000, 0.0004638300000000, -0.0000071100000000 ] - [ -0.0002530100000000, -0.0004669600000000, 0.0000090000000000 ] - [ 0.0002475800000000, -0.0008192900000000, 0.0001668300000000 ] - [ 0.0217233100000000, -0.0000510300000000, -0.0000381800000000 ] - [ -0.0043423400000000, 0.0059243500000000, 0.0009989600000000 ] - [ -0.0034641900000000, 0.0000091200000000, -0.0000037600000000 ] - [ -0.0043707700000000, -0.0058732500000000, -0.0009938600000000 ] - [ 0.0114728500000000, 0.0059662600000000, -0.0022505500000000 ] - [ 0.0124769400000000, -0.0052885700000000, 0.0015214700000000 ] - [ -0.0077224800000000, -0.0007446000000000, 0.0003655600000000 ] - [ -0.0076844000000000, 0.0007401600000000, -0.0003590700000000 ] - [ -0.0016766200000000, 0.0051780000000000, 0.0002069600000000 ] - [ 0.0058616300000000, 0.0000020500000000, 0.0000083300000000 ] - [ -0.0016859500000000, -0.0052169100000000, -0.0002113800000000 ] - [ -0.0023773300000000, -0.0000130400000000, 0.0000027100000000 ] - [ 0.0004698700000000, 0.0029710600000000, 0.0005717200000000 ] - [ -0.0005231800000000, 0.0016930300000000, -0.0000063800000000 ] - [ -0.0005353300000000, -0.0017004100000000, 0.0000020800000000 ] - [ 0.0004363200000000, -0.0030034800000000, -0.0005690000000000 ] - [ 0.0010783800000000, 0.0000005100000000, -0.0000009700000000 ] - [ -0.0001761500000000, 0.0000986500000000, 0.0014484000000000 ] - [ -0.0006260000000000, 0.0000005500000000, 0.0000016400000000 ] - [ -0.0001765800000000, -0.0000956900000000, -0.0014410400000000 ] - [ 0.0003830600000000, 0.0003264100000000, -0.0007077700000000 ] - [ 0.0003856600000000, -0.0003271500000000, 0.0007140400000000 ] - [ -0.0002929500000000, -0.0001843400000000, 0.0005946600000000 ] - [ -0.0002927300000000, 0.0001823300000000, -0.0005902200000000 ] - [ -0.0000219800000000, 0.0003475300000000, -0.0000699000000000 ] - [ 0.0000095500000000, -0.0000003600000000, 0.0000005600000000 ] - [ -0.0000238600000000, -0.0003494600000000, 0.0000712900000000 ] - [ 0.0000246100000000, -0.0000011800000000, -0.0000021000000000 ] - [ 0.0003045600000000, 0.0002741100000000, 0.0007311000000000 ] - [ -0.0003447000000000, 0.0002052300000000, 0.0002766000000000 ] - [ -0.0003457800000000, -0.0002037600000000, -0.0002744000000000 ] - [ 0.0003017300000000, -0.0002728700000000, -0.0007363500000000 ] - [ 0.0047069800000000, -0.0012911300000000, -0.0003349900000000 ] - [ -0.0009663200000000, 0.0002103000000000, -0.0007671200000000 ] - [ -0.0009683400000000, -0.0002064400000000, 0.0007578400000000 ] - [ 0.0046196600000000, 0.0012387600000000, 0.0004665100000000 ] - [ 0.0024723600000000, -0.0000035000000000, -0.0000005600000000 ] - [ -0.0008551600000000, -0.0009623600000000, -0.0017411000000000 ] - [ -0.0006844000000000, -0.0000011300000000, -0.0000028400000000 ] - [ -0.0008572500000000, 0.0009584600000000, 0.0017262500000000 ] - [ 0.0001848500000000, 0.0003381100000000, 0.0004596000000000 ] - [ 0.0001860900000000, -0.0003351200000000, -0.0004644200000000 ] - [ -0.0001805600000000, -0.0002924900000000, -0.0001538500000000 ] - [ -0.0001800600000000, 0.0002896600000000, 0.0001534000000000 ] - [ -0.0002784300000000, 0.0007254600000000, -0.0002991600000000 ] - [ -0.0002414400000000, 0.0000002100000000, -0.0000005500000000 ] - [ -0.0002810300000000, -0.0007260300000000, 0.0003019800000000 ] - [ 0.0008069900000000, -0.0000050200000000, 0.0000070000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0885461800000000 ] - [ 0.0003039500000000, 0.0007366300000000, -0.0044232900000000 ] - [ 0.0000000000000000, 0.0001991500000000, -0.0008051700000000 ] - [ -0.0003039500000000, 0.0007366300000000, -0.0044232900000000 ] - [ -0.0007899100000000, -0.0001050900000000, -0.0044232900000000 ] - [ 0.0007899100000000, -0.0001050900000000, -0.0044232900000000 ] - [ -0.0000955700000000, -0.0000551800000000, -0.0008416700000000 ] - [ 0.0000955700000000, -0.0000551800000000, -0.0008416700000000 ] - [ -0.0001724700000000, -0.0000995700000000, -0.0008051700000000 ] - [ 0.0000000000000000, -0.0004638900000000, -0.0008418900000000 ] - [ 0.0001724700000000, -0.0000995700000000, -0.0008051700000000 ] - [ 0.0000000000000000, 0.0001103600000000, -0.0008416700000000 ] - [ -0.0004859700000000, -0.0006315400000000, -0.0044232900000000 ] - [ -0.0004017400000000, 0.0002319400000000, -0.0008418900000000 ] - [ 0.0004017400000000, 0.0002319400000000, -0.0008418900000000 ] - [ 0.0004859700000000, -0.0006315400000000, -0.0044232900000000 ] - [ 0.0002645500000000, -0.0001527400000000, 0.0020214100000000 ] - [ 0.0001991400000000, 0.0000050900000000, 0.0010747600000000 ] - [ -0.0001991400000000, 0.0000050900000000, 0.0010747600000000 ] - [ -0.0002645500000000, -0.0001527400000000, 0.0020214100000000 ] - [ 0.0000000000000000, 0.0003054800000000, 0.0020214100000000 ] - [ 0.0003840100000000, 0.0002217100000000, 0.0015939600000000 ] - [ 0.0000000000000000, 0.0002099900000000, 0.0009634000000000 ] - [ -0.0003840100000000, 0.0002217100000000, 0.0015939600000000 ] - [ -0.0001039800000000, 0.0001699100000000, 0.0010747600000000 ] - [ 0.0001039800000000, 0.0001699100000000, 0.0010747600000000 ] - [ 0.0001818500000000, -0.0001049900000000, 0.0009634000000000 ] - [ -0.0001818500000000, -0.0001049900000000, 0.0009634000000000 ] - [ 0.0000951600000000, -0.0001750000000000, 0.0010747600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007196300000000 ] - [ -0.0000951600000000, -0.0001750000000000, 0.0010747600000000 ] - [ 0.0000000000000000, -0.0004434200000000, 0.0015939600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0042458100000000 ] - [ 0.0015002500000000, 0.0007279500000000, 0.0019709000000000 ] - [ 0.0000000000000000, -0.0000201100000000, -0.0000036100000000 ] - [ -0.0015002500000000, 0.0007279500000000, 0.0019709000000000 ] - [ -0.0013805500000000, 0.0009352700000000, 0.0019709000000000 ] - [ 0.0013805500000000, 0.0009352700000000, 0.0019709000000000 ] - [ 0.0003039300000000, 0.0001754700000000, 0.0000045900000000 ] - [ -0.0003039300000000, 0.0001754700000000, 0.0000045900000000 ] - [ 0.0000174200000000, 0.0000100600000000, -0.0000036100000000 ] - [ 0.0000000000000000, 0.0004078200000000, 0.0000053800000000 ] - [ -0.0000174200000000, 0.0000100600000000, -0.0000036100000000 ] - [ 0.0000000000000000, -0.0003509500000000, 0.0000045900000000 ] - [ 0.0001197000000000, -0.0016632300000000, 0.0019709000000000 ] - [ 0.0003531800000000, -0.0002039100000000, 0.0000053800000000 ] - [ -0.0003531800000000, -0.0002039100000000, 0.0000053800000000 ] - [ -0.0001197000000000, -0.0016632300000000, 0.0019709000000000 ] - [ -0.0115624800000000, 0.0066756000000000, 0.0079863200000000 ] - [ -0.0007622700000000, -0.0000143000000000, -0.0004156300000000 ] - [ 0.0007622700000000, -0.0000143000000000, -0.0004156300000000 ] - [ 0.0115624800000000, 0.0066756000000000, 0.0079863200000000 ] - [ 0.0000000000000000, -0.0133512000000000, 0.0079863200000000 ] - [ -0.0047350900000000, -0.0027338100000000, 0.0019929000000000 ] - [ 0.0000000000000000, -0.0000426800000000, -0.0003241200000000 ] - [ 0.0047350900000000, -0.0027338100000000, 0.0019929000000000 ] - [ 0.0003935200000000, -0.0006529900000000, -0.0004156300000000 ] - [ -0.0003935200000000, -0.0006529900000000, -0.0004156300000000 ] - [ -0.0000369700000000, 0.0000213400000000, -0.0003241200000000 ] - [ 0.0000369700000000, 0.0000213400000000, -0.0003241200000000 ] - [ -0.0003687500000000, 0.0006672900000000, -0.0004156300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000767500000000 ] - [ 0.0003687500000000, 0.0006672900000000, -0.0004156300000000 ] - [ 0.0000000000000000, 0.0054676200000000, 0.0019929000000000 ] - [ 0.0000000000000000, 0.0011220100000000, -0.0027655500000000 ] - [ -0.0009623800000000, 0.0005556300000000, -0.0016803600000000 ] - [ 0.0000000000000000, 0.0000725700000000, -0.0004370700000000 ] - [ 0.0009623800000000, 0.0005556300000000, -0.0016803600000000 ] - [ 0.0009716900000000, -0.0005610100000000, -0.0027655500000000 ] - [ -0.0009716900000000, -0.0005610100000000, -0.0027655500000000 ] - [ -0.0008269300000000, -0.0003749800000000, -0.0008876800000000 ] - [ 0.0008269300000000, -0.0003749800000000, -0.0008876800000000 ] - [ 0.0007382100000000, -0.0005286500000000, -0.0008876800000000 ] - [ 0.0000000000000000, -0.0011112600000000, -0.0016803600000000 ] - [ -0.0007382100000000, -0.0005286500000000, -0.0008876800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004222000000000 ] - [ -0.0000887200000000, 0.0009036300000000, -0.0008876800000000 ] - [ -0.0000628500000000, -0.0000362900000000, -0.0004370700000000 ] - [ 0.0000628500000000, -0.0000362900000000, -0.0004370700000000 ] - [ 0.0000887200000000, 0.0009036300000000, -0.0008876800000000 ] - [ 0.0000000000000000, 0.0002908500000000, 0.0197335800000000 ] - [ 0.0027235100000000, -0.0015724200000000, 0.0037004400000000 ] - [ 0.0000000000000000, -0.0001690700000000, 0.0004685300000000 ] - [ -0.0027235100000000, -0.0015724200000000, 0.0037004400000000 ] - [ 0.0002518800000000, -0.0001454300000000, 0.0197335800000000 ] - [ -0.0002518800000000, -0.0001454300000000, 0.0197335800000000 ] - [ 0.0008936000000000, -0.0006489300000000, 0.0015262500000000 ] - [ -0.0008936000000000, -0.0006489300000000, 0.0015262500000000 ] - [ 0.0001151900000000, 0.0010983400000000, 0.0015262500000000 ] - [ 0.0000000000000000, 0.0031448300000000, 0.0037004400000000 ] - [ -0.0001151900000000, 0.0010983400000000, 0.0015262500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004823600000000 ] - [ 0.0010087900000000, -0.0004494200000000, 0.0015262500000000 ] - [ 0.0001464200000000, 0.0000845300000000, 0.0004685300000000 ] - [ -0.0001464200000000, 0.0000845300000000, 0.0004685300000000 ] - [ -0.0010087900000000, -0.0004494200000000, 0.0015262500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027523700000000 ] - [ 0.0004166300000000, -0.0000321100000000, -0.0014806500000000 ] - [ 0.0000000000000000, -0.0000354500000000, -0.0005234000000000 ] - [ -0.0004166300000000, -0.0000321100000000, -0.0014806500000000 ] - [ -0.0001805100000000, 0.0003768700000000, -0.0014806500000000 ] - [ 0.0001805100000000, 0.0003768700000000, -0.0014806500000000 ] - [ 0.0000580000000000, 0.0000334800000000, -0.0006250700000000 ] - [ -0.0000580000000000, 0.0000334800000000, -0.0006250700000000 ] - [ 0.0000307000000000, 0.0000177300000000, -0.0005234000000000 ] - [ 0.0000000000000000, 0.0002143400000000, -0.0005434900000000 ] - [ -0.0000307000000000, 0.0000177300000000, -0.0005234000000000 ] - [ 0.0000000000000000, -0.0000669700000000, -0.0006250700000000 ] - [ 0.0002361200000000, -0.0003447600000000, -0.0014806500000000 ] - [ 0.0001856300000000, -0.0001071700000000, -0.0005434900000000 ] - [ -0.0001856300000000, -0.0001071700000000, -0.0005434900000000 ] - [ -0.0002361200000000, -0.0003447600000000, -0.0014806500000000 ] - [ 0.0032411900000000, -0.0018713000000000, 0.0028718500000000 ] - [ -0.0008320200000000, 0.0000722300000000, 0.0005959300000000 ] - [ 0.0008320200000000, 0.0000722300000000, 0.0005959300000000 ] - [ -0.0032411900000000, -0.0018713000000000, 0.0028718500000000 ] - [ 0.0000000000000000, 0.0037426000000000, 0.0028718500000000 ] - [ -0.0014854500000000, -0.0008576200000000, 0.0003101000000000 ] - [ 0.0000000000000000, -0.0000659900000000, 0.0004495100000000 ] - [ 0.0014854500000000, -0.0008576200000000, 0.0003101000000000 ] - [ 0.0003534600000000, -0.0007566700000000, 0.0005959300000000 ] - [ -0.0003534600000000, -0.0007566700000000, 0.0005959300000000 ] - [ -0.0000571500000000, 0.0000330000000000, 0.0004495100000000 ] - [ 0.0000571500000000, 0.0000330000000000, 0.0004495100000000 ] - [ -0.0004785600000000, 0.0006844400000000, 0.0005959300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004544500000000 ] - [ 0.0004785600000000, 0.0006844400000000, 0.0005959300000000 ] - [ 0.0000000000000000, 0.0017152400000000, 0.0003101000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0890389400000000 ] - [ -0.0003432700000000, -0.0007300500000000, 0.0047270300000000 ] - [ 0.0000000000000000, -0.0001956700000000, 0.0011113600000000 ] - [ 0.0003432700000000, -0.0007300500000000, 0.0047270300000000 ] - [ 0.0008038800000000, 0.0000677400000000, 0.0047270300000000 ] - [ -0.0008038800000000, 0.0000677400000000, 0.0047270300000000 ] - [ 0.0000936000000000, 0.0000540400000000, 0.0011481900000000 ] - [ -0.0000936000000000, 0.0000540400000000, 0.0011481900000000 ] - [ 0.0001694500000000, 0.0000978300000000, 0.0011113600000000 ] - [ 0.0000000000000000, 0.0004621100000000, 0.0011491500000000 ] - [ -0.0001694500000000, 0.0000978300000000, 0.0011113600000000 ] - [ 0.0000000000000000, -0.0001080800000000, 0.0011481900000000 ] - [ 0.0004606000000000, 0.0006623100000000, 0.0047270300000000 ] - [ 0.0004002000000000, -0.0002310500000000, 0.0011491500000000 ] - [ -0.0004002000000000, -0.0002310500000000, 0.0011491500000000 ] - [ -0.0004606000000000, 0.0006623100000000, 0.0047270300000000 ] - [ -0.0002623200000000, 0.0001514500000000, -0.0017016000000000 ] - [ -0.0001966600000000, -0.0000052000000000, -0.0007600900000000 ] - [ 0.0001966600000000, -0.0000052000000000, -0.0007600900000000 ] - [ 0.0002623200000000, 0.0001514500000000, -0.0017016000000000 ] - [ 0.0000000000000000, -0.0003029000000000, -0.0017016000000000 ] - [ -0.0003796700000000, -0.0002192000000000, -0.0012748700000000 ] - [ 0.0000000000000000, -0.0002080500000000, -0.0006467900000000 ] - [ 0.0003796700000000, -0.0002192000000000, -0.0012748700000000 ] - [ 0.0001028400000000, -0.0001677100000000, -0.0007600900000000 ] - [ -0.0001028400000000, -0.0001677100000000, -0.0007600900000000 ] - [ -0.0001801800000000, 0.0001040300000000, -0.0006467900000000 ] - [ 0.0001801800000000, 0.0001040300000000, -0.0006467900000000 ] - [ -0.0000938200000000, 0.0001729100000000, -0.0007600900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004027800000000 ] - [ 0.0000938200000000, 0.0001729100000000, -0.0007600900000000 ] - [ 0.0000000000000000, 0.0004384100000000, -0.0012748700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0045297800000000 ] - [ -0.0014906600000000, -0.0007215500000000, -0.0022713000000000 ] - [ 0.0000000000000000, 0.0000200700000000, -0.0003044400000000 ] - [ 0.0014906600000000, -0.0007215500000000, -0.0022713000000000 ] - [ 0.0013702100000000, -0.0009301700000000, -0.0022713000000000 ] - [ -0.0013702100000000, -0.0009301700000000, -0.0022713000000000 ] - [ -0.0003018900000000, -0.0001742900000000, -0.0003156500000000 ] - [ 0.0003018900000000, -0.0001742900000000, -0.0003156500000000 ] - [ -0.0000173800000000, -0.0000100300000000, -0.0003044400000000 ] - [ 0.0000000000000000, -0.0004054000000000, -0.0003149500000000 ] - [ 0.0000173800000000, -0.0000100300000000, -0.0003044400000000 ] - [ 0.0000000000000000, 0.0003485900000000, -0.0003156500000000 ] - [ -0.0001204500000000, 0.0016517200000000, -0.0022713000000000 ] - [ -0.0003510900000000, 0.0002027000000000, -0.0003149500000000 ] - [ 0.0003510900000000, 0.0002027000000000, -0.0003149500000000 ] - [ 0.0001204500000000, 0.0016517200000000, -0.0022713000000000 ] - [ 0.0116864000000000, -0.0067471400000000, -0.0083513100000000 ] - [ 0.0007612100000000, 0.0000178700000000, 0.0001126900000000 ] - [ -0.0007612100000000, 0.0000178700000000, 0.0001126900000000 ] - [ -0.0116864000000000, -0.0067471400000000, -0.0083513100000000 ] - [ 0.0000000000000000, 0.0134942900000000, -0.0083513100000000 ] - [ 0.0047125000000000, 0.0027207700000000, -0.0022975600000000 ] - [ 0.0000000000000000, 0.0000416500000000, 0.0000168500000000 ] - [ -0.0047125000000000, 0.0027207700000000, -0.0022975600000000 ] - [ -0.0003960800000000, 0.0006502900000000, 0.0001126900000000 ] - [ 0.0003960800000000, 0.0006502900000000, 0.0001126900000000 ] - [ 0.0000360700000000, -0.0000208200000000, 0.0000168500000000 ] - [ -0.0000360700000000, -0.0000208200000000, 0.0000168500000000 ] - [ 0.0003651300000000, -0.0006681600000000, 0.0001126900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002347600000000 ] - [ -0.0003651300000000, -0.0006681600000000, 0.0001126900000000 ] - [ 0.0000000000000000, -0.0054415300000000, -0.0022975600000000 ] - [ 0.0000000000000000, -0.0011142300000000, 0.0027542500000000 ] - [ 0.0009556100000000, -0.0005517200000000, 0.0016732300000000 ] - [ 0.0000000000000000, -0.0000740300000000, 0.0004363700000000 ] - [ -0.0009556100000000, -0.0005517200000000, 0.0016732300000000 ] - [ -0.0009649500000000, 0.0005571200000000, 0.0027542500000000 ] - [ 0.0009649500000000, 0.0005571200000000, 0.0027542500000000 ] - [ 0.0008196700000000, 0.0003729200000000, 0.0008860300000000 ] - [ -0.0008196700000000, 0.0003729200000000, 0.0008860300000000 ] - [ -0.0007327900000000, 0.0005234000000000, 0.0008860300000000 ] - [ 0.0000000000000000, 0.0011034500000000, 0.0016732300000000 ] - [ 0.0007327900000000, 0.0005234000000000, 0.0008860300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004198900000000 ] - [ 0.0000868800000000, -0.0008963200000000, 0.0008860300000000 ] - [ 0.0000641200000000, 0.0000370200000000, 0.0004363700000000 ] - [ -0.0000641200000000, 0.0000370200000000, 0.0004363700000000 ] - [ -0.0000868800000000, -0.0008963200000000, 0.0008860300000000 ] - [ 0.0000000000000000, -0.0009670800000000, -0.0199780500000000 ] - [ -0.0027139200000000, 0.0015668800000000, -0.0037192600000000 ] - [ 0.0000000000000000, 0.0001657900000000, -0.0004654100000000 ] - [ 0.0027139200000000, 0.0015668800000000, -0.0037192600000000 ] - [ -0.0008375200000000, 0.0004835400000000, -0.0199780500000000 ] - [ 0.0008375200000000, 0.0004835400000000, -0.0199780500000000 ] - [ -0.0008822600000000, 0.0006473600000000, -0.0015277300000000 ] - [ 0.0008822600000000, 0.0006473600000000, -0.0015277300000000 ] - [ -0.0001195000000000, -0.0010877400000000, -0.0015277300000000 ] - [ 0.0000000000000000, -0.0031337700000000, -0.0037192600000000 ] - [ 0.0001195000000000, -0.0010877400000000, -0.0015277300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004783400000000 ] - [ -0.0010017600000000, 0.0004403800000000, -0.0015277300000000 ] - [ -0.0001435800000000, -0.0000828900000000, -0.0004654100000000 ] - [ 0.0001435800000000, -0.0000828900000000, -0.0004654100000000 ] - [ 0.0010017600000000, 0.0004403800000000, -0.0015277300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027485000000000 ] - [ -0.0004171200000000, 0.0000314300000000, 0.0014765700000000 ] - [ 0.0000000000000000, 0.0000331300000000, 0.0005192000000000 ] - [ 0.0004171200000000, 0.0000314300000000, 0.0014765700000000 ] - [ 0.0001813400000000, -0.0003769600000000, 0.0014765700000000 ] - [ -0.0001813400000000, -0.0003769600000000, 0.0014765700000000 ] - [ -0.0000590100000000, -0.0000340700000000, 0.0006201700000000 ] - [ 0.0000590100000000, -0.0000340700000000, 0.0006201700000000 ] - [ -0.0000286900000000, -0.0000165600000000, 0.0005192000000000 ] - [ 0.0000000000000000, -0.0002181900000000, 0.0005396200000000 ] - [ 0.0000286900000000, -0.0000165600000000, 0.0005192000000000 ] - [ 0.0000000000000000, 0.0000681400000000, 0.0006201700000000 ] - [ -0.0002357800000000, 0.0003455200000000, 0.0014765700000000 ] - [ -0.0001889600000000, 0.0001090900000000, 0.0005396200000000 ] - [ 0.0001889600000000, 0.0001090900000000, 0.0005396200000000 ] - [ 0.0002357800000000, 0.0003455200000000, 0.0014765700000000 ] - [ -0.0030518000000000, 0.0017619500000000, -0.0026689200000000 ] - [ 0.0008276600000000, -0.0000737800000000, -0.0005882500000000 ] - [ -0.0008276600000000, -0.0000737800000000, -0.0005882500000000 ] - [ 0.0030518000000000, 0.0017619500000000, -0.0026689200000000 ] - [ 0.0000000000000000, -0.0035239100000000, -0.0026689200000000 ] - [ 0.0014786900000000, 0.0008537200000000, -0.0003007600000000 ] - [ 0.0000000000000000, 0.0000649100000000, -0.0004425100000000 ] - [ -0.0014786900000000, 0.0008537200000000, -0.0003007600000000 ] - [ -0.0003499300000000, 0.0007536600000000, -0.0005882500000000 ] - [ 0.0003499300000000, 0.0007536600000000, -0.0005882500000000 ] - [ 0.0000562100000000, -0.0000324500000000, -0.0004425100000000 ] - [ -0.0000562100000000, -0.0000324500000000, -0.0004425100000000 ] - [ 0.0004777300000000, -0.0006798800000000, -0.0005882500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004502900000000 ] - [ -0.0004777300000000, -0.0006798800000000, -0.0005882500000000 ] - [ 0.0000000000000000, -0.0017074500000000, -0.0003007600000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0017802900000000, -0.0000011300000000, 0.0001539000000000 ] - [ -0.0003764500000000, -0.0004830200000000, 0.0011133000000000 ] - [ -0.0010507100000000, -0.0000007000000000, 0.0001595300000000 ] - [ -0.0003784000000000, 0.0004825600000000, -0.0008026400000000 ] - [ 0.0002448100000000, 0.0004783000000000, 0.0000674900000000 ] - [ 0.0002467800000000, -0.0004776200000000, 0.0002428800000000 ] - [ -0.0002484300000000, -0.0004635300000000, 0.0002191900000000 ] - [ -0.0002491300000000, 0.0004624100000000, 0.0000938000000000 ] - [ 0.0000602300000000, 0.0009281200000000, 0.0008908300000000 ] - [ -0.0005642800000000, 0.0000010800000000, 0.0001578800000000 ] - [ 0.0000602400000000, -0.0009274300000000, -0.0005796800000000 ] - [ 0.0004586900000000, 0.0000005800000000, 0.0001581900000000 ] - [ 0.0010607200000000, 0.0004148500000000, 0.0011239400000000 ] - [ -0.0010635400000000, -0.0000632800000000, 0.0009821400000000 ] - [ -0.0010652500000000, 0.0000650900000000, -0.0006673500000000 ] - [ 0.0010612000000000, -0.0004157600000000, -0.0008119600000000 ] - [ 0.0125430700000000, -0.0053483000000000, 0.0010151400000000 ] - [ -0.0077146400000000, -0.0017297900000000, -0.0007359500000000 ] - [ -0.0076924700000000, 0.0017161700000000, 0.0010419000000000 ] - [ 0.0114118400000000, 0.0059051500000000, -0.0000920400000000 ] - [ 0.0058608900000000, 0.0000050500000000, 0.0001665600000000 ] - [ -0.0016722900000000, -0.0042190400000000, 0.0002772800000000 ] - [ -0.0023770500000000, -0.0000050200000000, 0.0001513200000000 ] - [ -0.0016906400000000, 0.0042214100000000, 0.0000397500000000 ] - [ -0.0005303100000000, 0.0016985900000000, 0.0000127000000000 ] - [ -0.0005308800000000, -0.0016897900000000, 0.0003002300000000 ] - [ 0.0004518200000000, -0.0039681600000000, 0.0011603000000000 ] - [ 0.0004573400000000, 0.0039648300000000, -0.0008514200000000 ] - [ -0.0043618600000000, 0.0059191300000000, -0.0025660900000000 ] - [ -0.0034650300000000, 0.0000031500000000, 0.0001542300000000 ] - [ -0.0043530000000000, -0.0058800900000000, 0.0028721000000000 ] - [ 0.0217261700000000, 0.0000322400000000, 0.0001046700000000 ] - [ 0.0217261700000000, -0.0000322400000000, -0.0001046700000000 ] - [ -0.0043618600000000, -0.0059191300000000, 0.0025660900000000 ] - [ -0.0034650300000000, -0.0000031500000000, -0.0001542300000000 ] - [ -0.0043530000000000, 0.0058800900000000, -0.0028721000000000 ] - [ 0.0004518200000000, 0.0039681600000000, -0.0011603000000000 ] - [ 0.0004573400000000, -0.0039648300000000, 0.0008514200000000 ] - [ -0.0005303100000000, -0.0016985900000000, -0.0000127000000000 ] - [ -0.0005308800000000, 0.0016897900000000, -0.0003002300000000 ] - [ -0.0016722900000000, 0.0042190400000000, -0.0002772800000000 ] - [ -0.0023770500000000, 0.0000050200000000, -0.0001513200000000 ] - [ -0.0016906400000000, -0.0042214100000000, -0.0000397500000000 ] - [ 0.0058608900000000, -0.0000050500000000, -0.0001665600000000 ] - [ 0.0125430700000000, 0.0053483000000000, -0.0010151400000000 ] - [ -0.0077146400000000, 0.0017297900000000, 0.0007359500000000 ] - [ -0.0076924700000000, -0.0017161700000000, -0.0010419000000000 ] - [ 0.0114118400000000, -0.0059051500000000, 0.0000920400000000 ] - [ 0.0010607200000000, -0.0004148500000000, -0.0011239400000000 ] - [ -0.0010635400000000, 0.0000632800000000, -0.0009821400000000 ] - [ -0.0010652500000000, -0.0000650900000000, 0.0006673500000000 ] - [ 0.0010612000000000, 0.0004157600000000, 0.0008119600000000 ] - [ 0.0004586900000000, -0.0000005800000000, -0.0001581900000000 ] - [ 0.0000602300000000, -0.0009281200000000, -0.0008908300000000 ] - [ -0.0005642800000000, -0.0000010800000000, -0.0001578800000000 ] - [ 0.0000602400000000, 0.0009274300000000, 0.0005796800000000 ] - [ -0.0002484300000000, 0.0004635300000000, -0.0002191900000000 ] - [ -0.0002491300000000, -0.0004624100000000, -0.0000938000000000 ] - [ 0.0002448100000000, -0.0004783000000000, -0.0000674900000000 ] - [ 0.0002467800000000, 0.0004776200000000, -0.0002428800000000 ] - [ -0.0003764500000000, 0.0004830200000000, -0.0011133000000000 ] - [ -0.0010507100000000, 0.0000007000000000, -0.0001595300000000 ] - [ -0.0003784000000000, -0.0004825600000000, 0.0008026400000000 ] - [ 0.0017802900000000, 0.0000011300000000, -0.0001539000000000 ] - [ -0.1380997400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0411738100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0091884300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0405681000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0030692700000000, -0.0253407000000000, 0.0075290500000000 ] - [ -0.0031596100000000, 0.0254448100000000, -0.0075633100000000 ] - [ 0.0053697500000000, 0.0035636000000000, 0.0000861500000000 ] - [ 0.0053631200000000, -0.0035347400000000, -0.0000736500000000 ] - [ 0.0007927800000000, -0.0048482500000000, 0.0001827700000000 ] - [ -0.0007822300000000, -0.0000044700000000, -0.0000035200000000 ] - [ 0.0007927800000000, 0.0048482500000000, -0.0001827700000000 ] - [ -0.0007822300000000, 0.0000044700000000, 0.0000035200000000 ] - [ -0.0031596100000000, -0.0254448100000000, 0.0075633100000000 ] - [ 0.0053697500000000, -0.0035636000000000, -0.0000861500000000 ] - [ 0.0053631200000000, 0.0035347400000000, 0.0000736500000000 ] - [ -0.0030692700000000, 0.0253407000000000, -0.0075290500000000 ] - [ -0.0023554900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001055000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0021396400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001074700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0010877800000000, -0.0006904200000000, 0.0000166100000000 ] - [ -0.0010924600000000, 0.0006904400000000, -0.0000127300000000 ] - [ 0.0010890700000000, 0.0006572000000000, 0.0001411000000000 ] - [ 0.0010879500000000, -0.0006576500000000, -0.0001408900000000 ] - [ 0.0000504100000000, -0.0012066900000000, -0.0000908300000000 ] - [ -0.0000505700000000, -0.0000000400000000, 0.0000026300000000 ] - [ 0.0000504100000000, 0.0012066900000000, 0.0000908300000000 ] - [ -0.0000505700000000, 0.0000000400000000, -0.0000026300000000 ] - [ -0.0010924600000000, -0.0006904400000000, 0.0000127300000000 ] - [ 0.0010890700000000, -0.0006572000000000, -0.0001411000000000 ] - [ 0.0010879500000000, 0.0006576500000000, 0.0001408900000000 ] - [ -0.0010877800000000, 0.0006904200000000, -0.0000166100000000 ] - [ -0.0032831700000000, -0.0000113900000000, -0.0000176000000000 ] - [ 0.0007678400000000, 0.0008272300000000, 0.0032324300000000 ] - [ 0.0010582900000000, 0.0000009800000000, 0.0000016700000000 ] - [ 0.0007562900000000, -0.0008178800000000, -0.0032162900000000 ] - [ -0.0002259900000000, -0.0007223800000000, -0.0003847200000000 ] - [ -0.0002252400000000, 0.0007218100000000, 0.0003833200000000 ] - [ 0.0002252100000000, 0.0004816900000000, 0.0001249400000000 ] - [ 0.0002248400000000, -0.0004803900000000, -0.0001260000000000 ] - [ 0.0001077800000000, -0.0006486400000000, 0.0006999500000000 ] - [ 0.0004879600000000, -0.0000011500000000, 0.0000009400000000 ] - [ 0.0001108100000000, 0.0006475800000000, -0.0006975600000000 ] - [ -0.0006625600000000, 0.0000039700000000, -0.0000067300000000 ] - [ -0.0002914300000000, -0.0017355000000000, 0.0062205900000000 ] - [ 0.0011281400000000, -0.0003272700000000, 0.0010855700000000 ] - [ 0.0011288100000000, 0.0003268800000000, -0.0010789800000000 ] - [ -0.0002723500000000, 0.0017301300000000, -0.0062107600000000 ] - [ -0.0002914300000000, 0.0017355000000000, -0.0062205900000000 ] - [ 0.0011281400000000, 0.0003272700000000, -0.0010855700000000 ] - [ 0.0011288100000000, -0.0003268800000000, 0.0010789800000000 ] - [ -0.0002723500000000, -0.0017301300000000, 0.0062107600000000 ] - [ -0.0006625600000000, -0.0000039700000000, 0.0000067300000000 ] - [ 0.0001077800000000, 0.0006486400000000, -0.0006999500000000 ] - [ 0.0004879600000000, 0.0000011500000000, -0.0000009400000000 ] - [ 0.0001108100000000, -0.0006475800000000, 0.0006975600000000 ] - [ 0.0002252100000000, -0.0004816900000000, -0.0001249400000000 ] - [ 0.0002248400000000, 0.0004803900000000, 0.0001260000000000 ] - [ -0.0002259900000000, 0.0007223800000000, 0.0003847200000000 ] - [ -0.0002252400000000, -0.0007218100000000, -0.0003833200000000 ] - [ 0.0007678400000000, -0.0008272300000000, -0.0032324300000000 ] - [ 0.0010582900000000, -0.0000009800000000, -0.0000016700000000 ] - [ 0.0007562900000000, 0.0008178800000000, 0.0032162900000000 ] - [ -0.0032831700000000, 0.0000113900000000, 0.0000176000000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0003736000000000, -0.0026017900000000 ] - [ 0.0005799300000000, 0.0003348200000000, -0.0015184500000000 ] - [ 0.0000000000000000, 0.0000096100000000, -0.0002840800000000 ] - [ -0.0005799300000000, 0.0003348200000000, -0.0015184500000000 ] - [ -0.0001698500000000, 0.0001485700000000, -0.0007351400000000 ] - [ 0.0001698500000000, 0.0001485700000000, -0.0007351400000000 ] - [ 0.0000083200000000, -0.0000048100000000, -0.0002840800000000 ] - [ -0.0000083200000000, -0.0000048100000000, -0.0002840800000000 ] - [ 0.0000437500000000, -0.0002213800000000, -0.0007351400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002716700000000 ] - [ -0.0000437500000000, -0.0002213800000000, -0.0007351400000000 ] - [ 0.0000000000000000, -0.0006696400000000, -0.0015184500000000 ] - [ 0.0003235400000000, -0.0001868000000000, -0.0026017900000000 ] - [ 0.0002135900000000, 0.0000728000000000, -0.0007351400000000 ] - [ -0.0002135900000000, 0.0000728000000000, -0.0007351400000000 ] - [ -0.0003235400000000, -0.0001868000000000, -0.0026017900000000 ] - [ -0.0016660800000000, -0.0009619100000000, 0.0201480200000000 ] - [ -0.0003571800000000, 0.0004531300000000, 0.0016823600000000 ] - [ 0.0003571800000000, 0.0004531300000000, 0.0016823600000000 ] - [ 0.0016660800000000, -0.0009619100000000, 0.0201480200000000 ] - [ 0.0000000000000000, -0.0011531400000000, 0.0038713000000000 ] - [ 0.0002138300000000, -0.0005358900000000, 0.0016823600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006349100000000 ] - [ -0.0002138300000000, -0.0005358900000000, 0.0016823600000000 ] - [ 0.0000042900000000, 0.0000024700000000, 0.0006246400000000 ] - [ -0.0000042900000000, 0.0000024700000000, 0.0006246400000000 ] - [ 0.0005710100000000, 0.0000827600000000, 0.0016823600000000 ] - [ -0.0005710100000000, 0.0000827600000000, 0.0016823600000000 ] - [ -0.0009986500000000, 0.0005765700000000, 0.0038713000000000 ] - [ 0.0000000000000000, -0.0000049500000000, 0.0006246400000000 ] - [ 0.0009986500000000, 0.0005765700000000, 0.0038713000000000 ] - [ 0.0000000000000000, 0.0019238200000000, 0.0201480200000000 ] - [ 0.0000000000000000, 0.0024375700000000, 0.0195662800000000 ] - [ 0.0009957100000000, 0.0005748700000000, 0.0035443500000000 ] - [ 0.0000000000000000, -0.0000037800000000, 0.0003139700000000 ] - [ -0.0009957100000000, 0.0005748700000000, 0.0035443500000000 ] - [ -0.0005729500000000, 0.0000946600000000, 0.0013705300000000 ] - [ 0.0005729500000000, 0.0000946600000000, 0.0013705300000000 ] - [ -0.0000032700000000, 0.0000018900000000, 0.0003139700000000 ] - [ 0.0000032700000000, 0.0000018900000000, 0.0003139700000000 ] - [ -0.0002045000000000, -0.0005435200000000, 0.0013705300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003264200000000 ] - [ 0.0002045000000000, -0.0005435200000000, 0.0013705300000000 ] - [ 0.0000000000000000, -0.0011497500000000, 0.0035443500000000 ] - [ 0.0021110000000000, -0.0012187900000000, 0.0195662800000000 ] - [ 0.0003684500000000, 0.0004488600000000, 0.0013705300000000 ] - [ -0.0003684500000000, 0.0004488600000000, 0.0013705300000000 ] - [ -0.0021110000000000, -0.0012187900000000, 0.0195662800000000 ] - [ -0.0003301600000000, -0.0001906200000000, -0.0029119500000000 ] - [ -0.0002170200000000, 0.0000716500000000, -0.0010362700000000 ] - [ 0.0002170200000000, 0.0000716500000000, -0.0010362700000000 ] - [ 0.0003301600000000, -0.0001906200000000, -0.0029119500000000 ] - [ 0.0000000000000000, -0.0006799300000000, -0.0018294200000000 ] - [ -0.0000464600000000, -0.0002237600000000, -0.0010362700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005739000000000 ] - [ 0.0000464600000000, -0.0002237600000000, -0.0010362700000000 ] - [ -0.0000077900000000, -0.0000045000000000, -0.0005875800000000 ] - [ 0.0000077900000000, -0.0000045000000000, -0.0005875800000000 ] - [ 0.0001705600000000, 0.0001521200000000, -0.0010362700000000 ] - [ -0.0001705600000000, 0.0001521200000000, -0.0010362700000000 ] - [ -0.0005888300000000, 0.0003399600000000, -0.0018294200000000 ] - [ 0.0000000000000000, 0.0000089900000000, -0.0005875800000000 ] - [ 0.0005888300000000, 0.0003399600000000, -0.0018294200000000 ] - [ 0.0000000000000000, 0.0003812300000000, -0.0029119500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1117382700000000 ] - [ -0.0000471700000000, -0.0087089300000000, -0.0148368300000000 ] - [ 0.0000000000000000, -0.0002108200000000, -0.0007798600000000 ] - [ 0.0000471700000000, -0.0087089300000000, -0.0148368300000000 ] - [ 0.0075657400000000, 0.0043136200000000, -0.0148368300000000 ] - [ -0.0075657400000000, 0.0043136200000000, -0.0148368300000000 ] - [ 0.0000708800000000, 0.0000409200000000, -0.0009601000000000 ] - [ -0.0000708800000000, 0.0000409200000000, -0.0009601000000000 ] - [ 0.0001825700000000, 0.0001054100000000, -0.0007798600000000 ] - [ 0.0000000000000000, -0.0000909100000000, -0.0009606700000000 ] - [ -0.0001825700000000, 0.0001054100000000, -0.0007798600000000 ] - [ 0.0000000000000000, -0.0000818400000000, -0.0009601000000000 ] - [ 0.0075185700000000, 0.0043953100000000, -0.0148368300000000 ] - [ -0.0000787300000000, 0.0000454500000000, -0.0009606700000000 ] - [ 0.0000787300000000, 0.0000454500000000, -0.0009606700000000 ] - [ -0.0075185700000000, 0.0043953100000000, -0.0148368300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034308500000000 ] - [ 0.0000040100000000, 0.0000194700000000, 0.0020524500000000 ] - [ 0.0000000000000000, -0.0001030300000000, 0.0006555100000000 ] - [ -0.0000040100000000, 0.0000194700000000, 0.0020524500000000 ] - [ -0.0000188700000000, -0.0000062600000000, 0.0020524500000000 ] - [ 0.0000188700000000, -0.0000062600000000, 0.0020524500000000 ] - [ -0.0001365000000000, -0.0000788100000000, 0.0007666400000000 ] - [ 0.0001365000000000, -0.0000788100000000, 0.0007666400000000 ] - [ 0.0000892300000000, 0.0000515100000000, 0.0006555100000000 ] - [ 0.0000000000000000, 0.0001633100000000, 0.0007728400000000 ] - [ -0.0000892300000000, 0.0000515100000000, 0.0006555100000000 ] - [ 0.0000000000000000, 0.0001576200000000, 0.0007666400000000 ] - [ -0.0000148600000000, -0.0000132100000000, 0.0020524500000000 ] - [ 0.0001414300000000, -0.0000816600000000, 0.0007728400000000 ] - [ -0.0001414300000000, -0.0000816600000000, 0.0007728400000000 ] - [ 0.0000148600000000, -0.0000132100000000, 0.0020524500000000 ] - [ 0.0000000000000000, 0.0051238300000000, 0.0088333300000000 ] - [ 0.0011416500000000, 0.0006591300000000, 0.0015195300000000 ] - [ 0.0000000000000000, 0.0000939300000000, 0.0000256700000000 ] - [ -0.0011416500000000, 0.0006591300000000, 0.0015195300000000 ] - [ -0.0001858200000000, 0.0006213100000000, 0.0001362100000000 ] - [ 0.0001858200000000, 0.0006213100000000, 0.0001362100000000 ] - [ 0.0000813500000000, -0.0000469700000000, 0.0000256700000000 ] - [ -0.0000813500000000, -0.0000469700000000, 0.0000256700000000 ] - [ 0.0004451600000000, -0.0004715800000000, 0.0001362100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000023000000000 ] - [ -0.0004451600000000, -0.0004715800000000, 0.0001362100000000 ] - [ 0.0000000000000000, -0.0013182700000000, 0.0015195300000000 ] - [ 0.0044373700000000, -0.0025619100000000, 0.0088333300000000 ] - [ 0.0006309900000000, -0.0001497300000000, 0.0001362100000000 ] - [ -0.0006309900000000, -0.0001497300000000, 0.0001362100000000 ] - [ -0.0044373700000000, -0.0025619100000000, 0.0088333300000000 ] - [ -0.0043724100000000, -0.0025244100000000, 0.0087413500000000 ] - [ -0.0006280500000000, -0.0001506400000000, 0.0001429200000000 ] - [ 0.0006280500000000, -0.0001506400000000, 0.0001429200000000 ] - [ 0.0043724100000000, -0.0025244100000000, 0.0087413500000000 ] - [ 0.0000000000000000, -0.0013147600000000, 0.0015300700000000 ] - [ -0.0004444800000000, -0.0004685900000000, 0.0001429200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000022800000000 ] - [ 0.0004444800000000, -0.0004685900000000, 0.0001429200000000 ] - [ -0.0000811900000000, -0.0000468700000000, 0.0000318100000000 ] - [ 0.0000811900000000, -0.0000468700000000, 0.0000318100000000 ] - [ 0.0001835700000000, 0.0006192300000000, 0.0001429200000000 ] - [ -0.0001835700000000, 0.0006192300000000, 0.0001429200000000 ] - [ -0.0011386100000000, 0.0006573800000000, 0.0015300700000000 ] - [ 0.0000000000000000, 0.0000937500000000, 0.0000318100000000 ] - [ 0.0011386100000000, 0.0006573800000000, 0.0015300700000000 ] - [ 0.0000000000000000, 0.0050488300000000, 0.0087413500000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0010786000000000, -0.0000024800000000, 0.0001553500000000 ] - [ -0.0001737400000000, 0.0000034400000000, -0.0002600600000000 ] - [ -0.0006260900000000, -0.0000000100000000, 0.0001551300000000 ] - [ -0.0001789100000000, -0.0000030200000000, 0.0005725700000000 ] - [ 0.0002999800000000, 0.0003746200000000, 0.0003928700000000 ] - [ 0.0003062800000000, -0.0003737900000000, -0.0000776600000000 ] - [ -0.0003447000000000, -0.0002054700000000, -0.0000305100000000 ] - [ -0.0003457500000000, 0.0002037600000000, 0.0003416700000000 ] - [ -0.0000235100000000, 0.0003482500000000, 0.0001873300000000 ] - [ 0.0000246300000000, 0.0000023700000000, 0.0001547800000000 ] - [ -0.0000226800000000, -0.0003485500000000, 0.0001250200000000 ] - [ 0.0000093600000000, -0.0000007200000000, 0.0001562700000000 ] - [ 0.0003852000000000, 0.0002244600000000, -0.0000233300000000 ] - [ -0.0002920700000000, 0.0001842100000000, 0.0000995900000000 ] - [ -0.0002945400000000, -0.0001826200000000, 0.0002166400000000 ] - [ 0.0003844500000000, -0.0002281800000000, 0.0003369400000000 ] - [ 0.0047036500000000, -0.0012999300000000, -0.0030633800000000 ] - [ -0.0009684300000000, 0.0003300600000000, 0.0009877600000000 ] - [ -0.0009658700000000, -0.0003271900000000, -0.0006699600000000 ] - [ 0.0046237000000000, 0.0012301100000000, 0.0032267000000000 ] - [ 0.0024728000000000, 0.0000001700000000, 0.0001566000000000 ] - [ -0.0008562000000000, -0.0009655500000000, 0.0016447800000000 ] - [ -0.0006841600000000, -0.0000004100000000, 0.0001564500000000 ] - [ -0.0008551900000000, 0.0009553600000000, -0.0013199300000000 ] - [ 0.0001839700000000, 0.0004584200000000, -0.0001952100000000 ] - [ 0.0001870000000000, -0.0004555700000000, 0.0005051200000000 ] - [ -0.0001789600000000, -0.0002918300000000, 0.0002151800000000 ] - [ -0.0001806400000000, 0.0002905000000000, 0.0001007700000000 ] - [ -0.0002802100000000, 0.0006062000000000, 0.0006349900000000 ] - [ -0.0002409300000000, 0.0000014000000000, 0.0001567900000000 ] - [ -0.0002789600000000, -0.0006046300000000, -0.0003191000000000 ] - [ 0.0008076600000000, -0.0000010800000000, 0.0001587600000000 ] - [ 0.0010786000000000, -0.0000024800000000, -0.0001553500000000 ] - [ -0.0001737400000000, 0.0000034400000000, 0.0002600600000000 ] - [ -0.0006260900000000, -0.0000000100000000, -0.0001551300000000 ] - [ -0.0001789100000000, -0.0000030200000000, -0.0005725700000000 ] - [ 0.0002999800000000, 0.0003746200000000, -0.0003928700000000 ] - [ 0.0003062800000000, -0.0003737900000000, 0.0000776600000000 ] - [ -0.0003447000000000, -0.0002054700000000, 0.0000305100000000 ] - [ -0.0003457500000000, 0.0002037600000000, -0.0003416700000000 ] - [ -0.0000235100000000, 0.0003482500000000, -0.0001873300000000 ] - [ 0.0000246300000000, 0.0000023700000000, -0.0001547800000000 ] - [ -0.0000226800000000, -0.0003485500000000, -0.0001250200000000 ] - [ 0.0000093600000000, -0.0000007200000000, -0.0001562700000000 ] - [ 0.0003852000000000, 0.0002244600000000, 0.0000233300000000 ] - [ -0.0002920700000000, 0.0001842100000000, -0.0000995900000000 ] - [ -0.0002945400000000, -0.0001826200000000, -0.0002166400000000 ] - [ 0.0003844500000000, -0.0002281800000000, -0.0003369400000000 ] - [ 0.0047036500000000, -0.0012999300000000, 0.0030633800000000 ] - [ -0.0009684300000000, 0.0003300600000000, -0.0009877600000000 ] - [ -0.0009658700000000, -0.0003271900000000, 0.0006699600000000 ] - [ 0.0046237000000000, 0.0012301100000000, -0.0032267000000000 ] - [ 0.0024728000000000, 0.0000001700000000, -0.0001566000000000 ] - [ -0.0008562000000000, -0.0009655500000000, -0.0016447800000000 ] - [ -0.0006841600000000, -0.0000004100000000, -0.0001564500000000 ] - [ -0.0008551900000000, 0.0009553600000000, 0.0013199300000000 ] - [ 0.0001839700000000, 0.0004584200000000, 0.0001952100000000 ] - [ 0.0001870000000000, -0.0004555700000000, -0.0005051200000000 ] - [ -0.0001789600000000, -0.0002918300000000, -0.0002151800000000 ] - [ -0.0001806400000000, 0.0002905000000000, -0.0001007700000000 ] - [ -0.0002802100000000, 0.0006062000000000, -0.0006349900000000 ] - [ -0.0002409300000000, 0.0000014000000000, -0.0001567900000000 ] - [ -0.0002789600000000, -0.0006046300000000, 0.0003191000000000 ] - [ 0.0008076600000000, -0.0000010800000000, -0.0001587600000000 ] - [ -0.0032823400000000, 0.0000082500000000, 0.0000077400000000 ] - [ 0.0007594500000000, -0.0008225800000000, -0.0011453400000000 ] - [ 0.0010584900000000, -0.0000037000000000, -0.0000040200000000 ] - [ 0.0007630900000000, 0.0008222100000000, 0.0011376700000000 ] - [ -0.0002674000000000, -0.0017277300000000, 0.0043980400000000 ] - [ -0.0002942300000000, 0.0017378900000000, -0.0044116200000000 ] - [ 0.0011274700000000, 0.0000610100000000, -0.0006339500000000 ] - [ 0.0011275500000000, -0.0000602300000000, 0.0006263600000000 ] - [ 0.0001134200000000, -0.0009114300000000, 0.0004432900000000 ] - [ -0.0006625900000000, -0.0000050600000000, 0.0000031800000000 ] - [ 0.0001074900000000, 0.0009154900000000, -0.0004464000000000 ] - [ 0.0004859800000000, 0.0000024200000000, -0.0000004600000000 ] - [ -0.0002268400000000, -0.0004546600000000, -0.0001865100000000 ] - [ 0.0002263500000000, -0.0004828900000000, -0.0000836900000000 ] - [ 0.0002221500000000, 0.0004798700000000, 0.0000801400000000 ] - [ -0.0002227600000000, 0.0004541000000000, 0.0001852200000000 ] - [ -0.0032823400000000, 0.0000082500000000, -0.0000077400000000 ] - [ 0.0007594500000000, -0.0008225800000000, 0.0011453400000000 ] - [ 0.0010584900000000, -0.0000037000000000, 0.0000040200000000 ] - [ 0.0007630900000000, 0.0008222100000000, -0.0011376700000000 ] - [ -0.0002674000000000, -0.0017277300000000, -0.0043980400000000 ] - [ -0.0002942300000000, 0.0017378900000000, 0.0044116200000000 ] - [ 0.0011274700000000, 0.0000610100000000, 0.0006339500000000 ] - [ 0.0011275500000000, -0.0000602300000000, -0.0006263600000000 ] - [ 0.0001134200000000, -0.0009114300000000, -0.0004432900000000 ] - [ -0.0006625900000000, -0.0000050600000000, -0.0000031800000000 ] - [ 0.0001074900000000, 0.0009154900000000, 0.0004464000000000 ] - [ 0.0004859800000000, 0.0000024200000000, 0.0000004600000000 ] - [ -0.0002268400000000, -0.0004546600000000, 0.0001865100000000 ] - [ 0.0002263500000000, -0.0004828900000000, 0.0000836900000000 ] - [ 0.0002221500000000, 0.0004798700000000, -0.0000801400000000 ] - [ -0.0002227600000000, 0.0004541000000000, -0.0001852200000000 ] - [ -0.0539696700000000, 0.0001348300000000, 0.0000000000000000 ] - [ 0.0137382500000000, -0.0000217300000000, 0.0000000000000000 ] - [ 0.0008579300000000, -0.0000002700000000, 0.0000000000000000 ] - [ 0.0133278000000000, 0.0000155100000000, 0.0000000000000000 ] - [ 0.0017052200000000, -0.0068085000000000, 0.0000000000000000 ] - [ 0.0017003100000000, 0.0068863900000000, 0.0000000000000000 ] - [ 0.0004521900000000, 0.0003461400000000, 0.0000000000000000 ] - [ 0.0004514900000000, -0.0003435400000000, 0.0000000000000000 ] - [ 0.0001401900000000, -0.0004152100000000, 0.0000000000000000 ] - [ -0.0001453700000000, -0.0000016000000000, 0.0000000000000000 ] - [ 0.0001387900000000, 0.0004140300000000, 0.0000000000000000 ] - [ -0.0001455500000000, -0.0000003700000000, 0.0000000000000000 ] - [ 0.0017043300000000, -0.0068474900000000, 0.0000000000000000 ] - [ 0.0004522600000000, -0.0003461500000000, 0.0000000000000000 ] - [ 0.0004510200000000, 0.0003437400000000, 0.0000000000000000 ] - [ 0.0017016200000000, 0.0067731200000000, 0.0000000000000000 ] - [ -0.0000597700000000, -0.0000331400000000, 0.0000000000000000 ] - [ 0.0000634600000000, -0.0000289500000000, 0.0000000000000000 ] - [ 0.0000634000000000, 0.0000293700000000, 0.0000000000000000 ] - [ -0.0000595400000000, 0.0000331900000000, 0.0000000000000000 ] - [ -0.0001173200000000, -0.0000002700000000, 0.0000000000000000 ] - [ 0.0000004000000000, 0.0000137000000000, 0.0000000000000000 ] - [ 0.0001082900000000, -0.0000000700000000, 0.0000000000000000 ] - [ 0.0000006700000000, -0.0000138600000000, 0.0000000000000000 ] - [ -0.0000418300000000, -0.0000318500000000, 0.0000000000000000 ] - [ -0.0000425200000000, 0.0000324800000000, 0.0000000000000000 ] - [ 0.0000427100000000, 0.0000379800000000, 0.0000000000000000 ] - [ 0.0000429100000000, -0.0000375600000000, 0.0000000000000000 ] - [ 0.0000077500000000, -0.0000609000000000, 0.0000000000000000 ] - [ 0.0000236400000000, -0.0000006200000000, 0.0000000000000000 ] - [ 0.0000084600000000, 0.0000608700000000, 0.0000000000000000 ] - [ -0.0000235000000000, 0.0000001900000000, 0.0000000000000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0026047700000000 ] - [ -0.0014494100000000, -0.0000123900000000, -0.0013273000000000 ] - [ 0.0000000000000000, 0.0000820500000000, -0.0003686100000000 ] - [ 0.0014494100000000, -0.0000123900000000, -0.0013273000000000 ] - [ 0.0007354400000000, -0.0012490300000000, -0.0013273000000000 ] - [ -0.0007354400000000, -0.0012490300000000, -0.0013273000000000 ] - [ -0.0002753400000000, -0.0001589700000000, -0.0003896800000000 ] - [ 0.0002753400000000, -0.0001589700000000, -0.0003896800000000 ] - [ -0.0000710600000000, -0.0000410300000000, -0.0003686100000000 ] - [ 0.0000000000000000, -0.0006827900000000, -0.0004690800000000 ] - [ 0.0000710600000000, -0.0000410300000000, -0.0003686100000000 ] - [ 0.0000000000000000, 0.0003179400000000, -0.0003896800000000 ] - [ -0.0007139800000000, 0.0012614200000000, -0.0013273000000000 ] - [ -0.0005913100000000, 0.0003413900000000, -0.0004690800000000 ] - [ 0.0005913100000000, 0.0003413900000000, -0.0004690800000000 ] - [ 0.0007139800000000, 0.0012614200000000, -0.0013273000000000 ] - [ 0.0004735600000000, -0.0002734100000000, 0.0028099000000000 ] - [ 0.0007610900000000, 0.0000929100000000, 0.0007408500000000 ] - [ -0.0007610900000000, 0.0000929100000000, 0.0007408500000000 ] - [ -0.0004735600000000, -0.0002734100000000, 0.0028099000000000 ] - [ 0.0000000000000000, 0.0005468200000000, 0.0028099000000000 ] - [ 0.0017298100000000, 0.0009987100000000, 0.0004517900000000 ] - [ 0.0000000000000000, 0.0001774200000000, 0.0005959300000000 ] - [ -0.0017298100000000, 0.0009987100000000, 0.0004517900000000 ] - [ -0.0004610000000000, 0.0006126700000000, 0.0007408500000000 ] - [ 0.0004610000000000, 0.0006126700000000, 0.0007408500000000 ] - [ 0.0001536500000000, -0.0000887100000000, 0.0005959300000000 ] - [ -0.0001536500000000, -0.0000887100000000, 0.0005959300000000 ] - [ 0.0003000900000000, -0.0007055800000000, 0.0007408500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006018600000000 ] - [ -0.0003000900000000, -0.0007055800000000, 0.0007408500000000 ] - [ 0.0000000000000000, -0.0019974200000000, 0.0004517900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028956300000000 ] - [ 0.0014399200000000, 0.0000151900000000, -0.0016283300000000 ] - [ 0.0000000000000000, -0.0000808500000000, -0.0006752200000000 ] - [ -0.0014399200000000, 0.0000151900000000, -0.0016283300000000 ] - [ -0.0007331100000000, 0.0012394100000000, -0.0016283300000000 ] - [ 0.0007331100000000, 0.0012394100000000, -0.0016283300000000 ] - [ 0.0002756700000000, 0.0001591600000000, -0.0006941200000000 ] - [ -0.0002756700000000, 0.0001591600000000, -0.0006941200000000 ] - [ 0.0000700200000000, 0.0000404300000000, -0.0006752200000000 ] - [ 0.0000000000000000, 0.0006840600000000, -0.0007768100000000 ] - [ -0.0000700200000000, 0.0000404300000000, -0.0006752200000000 ] - [ 0.0000000000000000, -0.0003183200000000, -0.0006941200000000 ] - [ 0.0007068000000000, -0.0012546000000000, -0.0016283300000000 ] - [ 0.0005924100000000, -0.0003420300000000, -0.0007768100000000 ] - [ -0.0005924100000000, -0.0003420300000000, -0.0007768100000000 ] - [ -0.0007068000000000, -0.0012546000000000, -0.0016283300000000 ] - [ -0.0003261700000000, 0.0001883200000000, 0.0027300800000000 ] - [ -0.0007632700000000, -0.0000930700000000, 0.0004436500000000 ] - [ 0.0007632700000000, -0.0000930700000000, 0.0004436500000000 ] - [ 0.0003261700000000, 0.0001883200000000, 0.0027300800000000 ] - [ 0.0000000000000000, -0.0003766300000000, 0.0027300800000000 ] - [ -0.0017367100000000, -0.0010026900000000, 0.0001583200000000 ] - [ 0.0000000000000000, -0.0001769200000000, 0.0002964300000000 ] - [ 0.0017367100000000, -0.0010026900000000, 0.0001583200000000 ] - [ 0.0004622300000000, -0.0006144700000000, 0.0004436500000000 ] - [ -0.0004622300000000, -0.0006144700000000, 0.0004436500000000 ] - [ -0.0001532200000000, 0.0000884600000000, 0.0002964300000000 ] - [ 0.0001532200000000, 0.0000884600000000, 0.0002964300000000 ] - [ -0.0003010300000000, 0.0007075400000000, 0.0004436500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003034900000000 ] - [ 0.0003010300000000, 0.0007075400000000, 0.0004436500000000 ] - [ 0.0000000000000000, 0.0020053800000000, 0.0001583200000000 ] - [ 0.0000000000000000, 0.0071283900000000, 0.0087374600000000 ] - [ -0.0032186100000000, 0.0018582700000000, 0.0015244300000000 ] - [ 0.0000000000000000, 0.0001454200000000, 0.0000288700000000 ] - [ 0.0032186100000000, 0.0018582700000000, 0.0015244300000000 ] - [ 0.0061733700000000, -0.0035641900000000, 0.0087374600000000 ] - [ -0.0061733700000000, -0.0035641900000000, 0.0087374600000000 ] - [ -0.0010808800000000, -0.0001826000000000, 0.0001405400000000 ] - [ 0.0010808800000000, -0.0001826000000000, 0.0001405400000000 ] - [ 0.0006985800000000, -0.0008447800000000, 0.0001405400000000 ] - [ 0.0000000000000000, -0.0037165400000000, 0.0015244300000000 ] - [ -0.0006985800000000, -0.0008447800000000, 0.0001405400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000004800000000 ] - [ -0.0003823100000000, 0.0010273700000000, 0.0001405400000000 ] - [ -0.0001259400000000, -0.0000727100000000, 0.0000288700000000 ] - [ 0.0001259400000000, -0.0000727100000000, 0.0000288700000000 ] - [ 0.0003823100000000, 0.0010273700000000, 0.0001405400000000 ] - [ 0.0000000000000000, -0.0072258400000000, 0.0088360800000000 ] - [ 0.0032321400000000, -0.0018660800000000, 0.0015247900000000 ] - [ 0.0000000000000000, -0.0001443500000000, 0.0000279300000000 ] - [ -0.0032321400000000, -0.0018660800000000, 0.0015247900000000 ] - [ -0.0062577600000000, 0.0036129200000000, 0.0088360800000000 ] - [ 0.0062577600000000, 0.0036129200000000, 0.0088360800000000 ] - [ 0.0010843500000000, 0.0001819000000000, 0.0001375200000000 ] - [ -0.0010843500000000, 0.0001819000000000, 0.0001375200000000 ] - [ -0.0006997000000000, 0.0008481200000000, 0.0001375200000000 ] - [ 0.0000000000000000, 0.0037321600000000, 0.0015247900000000 ] - [ 0.0006997000000000, 0.0008481200000000, 0.0001375200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000007400000000 ] - [ 0.0003846400000000, -0.0010300200000000, 0.0001375200000000 ] - [ 0.0001250100000000, 0.0000721800000000, 0.0000279300000000 ] - [ -0.0001250100000000, 0.0000721800000000, 0.0000279300000000 ] - [ -0.0003846400000000, -0.0010300200000000, 0.0001375200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0401853000000000 ] - [ -0.0000353900000000, -0.0000001100000000, -0.0045364500000000 ] - [ 0.0000000000000000, -0.0000002800000000, -0.0006866300000000 ] - [ 0.0000353900000000, -0.0000001100000000, -0.0045364500000000 ] - [ 0.0000177900000000, -0.0000305900000000, -0.0045364500000000 ] - [ -0.0000177900000000, -0.0000305900000000, -0.0045364500000000 ] - [ -0.0000012800000000, -0.0000007400000000, -0.0007581700000000 ] - [ 0.0000012800000000, -0.0000007400000000, -0.0007581700000000 ] - [ 0.0000002400000000, 0.0000001400000000, -0.0006866300000000 ] - [ 0.0000000000000000, -0.0000014800000000, -0.0007580400000000 ] - [ -0.0000002400000000, 0.0000001400000000, -0.0006866300000000 ] - [ 0.0000000000000000, 0.0000014700000000, -0.0007581700000000 ] - [ -0.0000175900000000, 0.0000307000000000, -0.0045364500000000 ] - [ -0.0000012800000000, 0.0000007400000000, -0.0007580400000000 ] - [ 0.0000012800000000, 0.0000007400000000, -0.0007580400000000 ] - [ 0.0000175900000000, 0.0000307000000000, -0.0045364500000000 ] - [ 0.0000005200000000, -0.0000003000000000, 0.0014463100000000 ] - [ 0.0000005500000000, -0.0000002200000000, 0.0007977900000000 ] - [ -0.0000005500000000, -0.0000002200000000, 0.0007977900000000 ] - [ -0.0000005200000000, -0.0000003000000000, 0.0014463100000000 ] - [ 0.0000000000000000, 0.0000006100000000, 0.0014463100000000 ] - [ 0.0000006100000000, 0.0000003500000000, 0.0009802600000000 ] - [ 0.0000000000000000, 0.0000000700000000, 0.0006031200000000 ] - [ -0.0000006100000000, 0.0000003500000000, 0.0009802600000000 ] - [ -0.0000000900000000, 0.0000005900000000, 0.0007977900000000 ] - [ 0.0000000900000000, 0.0000005900000000, 0.0007977900000000 ] - [ 0.0000000600000000, -0.0000000400000000, 0.0006031200000000 ] - [ -0.0000000600000000, -0.0000000400000000, 0.0006031200000000 ] - [ 0.0000004600000000, -0.0000003700000000, 0.0007977900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006449900000000 ] - [ -0.0000004600000000, -0.0000003700000000, 0.0007977900000000 ] - [ 0.0000000000000000, -0.0000007100000000, 0.0009802600000000 ]