# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/83b620d9-b25f-4326-b0d0-b2f99e909f25/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 LaAgO2 / P6_3/mmc (194) / materials id 754535](https://mdr.nims.go.jp/datasets/bc11df13-91a5-4fbf-be0e-365e818c3027) ## 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: - [ 3.793106240000000, 0.000000000000000, 0.000000000000000 ] # a - [ -1.896553110000000, 3.284926360000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.134624560000001 ] # c points: - symbol: La # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 138.905470 - symbol: La # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 138.905470 - symbol: Ag # 3 coordinates: [ 0.333333330000000, 0.666666670000000, 0.250000000000000 ] mass: 107.868200 - symbol: Ag # 4 coordinates: [ 0.666666670000000, 0.333333330000000, 0.750000000000000 ] mass: 107.868200 - symbol: O # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.083772450000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.333333330000000, 0.666666670000000, 0.416227550000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.666666670000000, 0.333333330000000, 0.583772450000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.666666670000000, 0.333333330000000, 0.916227550000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.263636169600143, 0.152210412827531, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.304420827260189, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.082408812489869 ] # c*unit_cell: lattice: - [ 3.793106240000000, 0.000000000000000, 0.000000000000000 ] # a - [ -1.896553110000000, 3.284926360000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.134624560000001 ] # c points: - symbol: La # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 138.905470 reduced_to: 2 - symbol: Ag # 3 coordinates: [ 0.333333330000000, 0.666666670000000, 0.250000000000000 ] mass: 107.868200 reduced_to: 3 - symbol: Ag # 4 coordinates: [ 0.666666670000000, 0.333333330000000, 0.750000000000000 ] mass: 107.868200 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.083772450000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.333333330000000, 0.666666670000000, 0.416227550000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.666666670000000, 0.333333330000000, 0.583772450000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.666666670000000, 0.333333330000000, 0.916227550000000 ] mass: 15.999400 reduced_to: 8supercell: lattice: - [ 15.172424960000001, 0.000000000000000, 0.000000000000000 ] # a - [ -7.586212440000000, 13.139705440000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.134624560000001 ] # c points: - symbol: La # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 2 coordinates: [ 0.250000000000000, 0.000000000000000, 0.000000000000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 3 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 4 coordinates: [ 0.750000000000000, 0.000000000000000, 0.000000000000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 5 coordinates: [ 0.000000000000000, 0.250000000000000, 0.000000000000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 6 coordinates: [ 0.250000000000000, 0.250000000000000, 0.000000000000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 7 coordinates: [ 0.500000000000000, 0.250000000000000, 0.000000000000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 8 coordinates: [ 0.750000000000000, 0.250000000000000, 0.000000000000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 9 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 10 coordinates: [ 0.250000000000000, 0.500000000000000, 0.000000000000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 11 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 12 coordinates: [ 0.750000000000000, 0.500000000000000, 0.000000000000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 13 coordinates: [ 0.000000000000000, 0.750000000000000, 0.000000000000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 14 coordinates: [ 0.250000000000000, 0.750000000000000, 0.000000000000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 15 coordinates: [ 0.500000000000000, 0.750000000000000, 0.000000000000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 16 coordinates: [ 0.750000000000000, 0.750000000000000, 0.000000000000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 17 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 138.905470 reduced_to: 17 - symbol: La # 18 coordinates: [ 0.250000000000000, 0.000000000000000, 0.500000000000000 ] mass: 138.905470 reduced_to: 17 - symbol: La # 19 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 138.905470 reduced_to: 17 - symbol: La # 20 coordinates: [ 0.750000000000000, 0.000000000000000, 0.500000000000000 ] mass: 138.905470 reduced_to: 17 - symbol: La # 21 coordinates: [ 0.000000000000000, 0.250000000000000, 0.500000000000000 ] mass: 138.905470 reduced_to: 17 - symbol: La # 22 coordinates: [ 0.250000000000000, 0.250000000000000, 0.500000000000000 ] mass: 138.905470 reduced_to: 17 - symbol: La # 23 coordinates: [ 0.500000000000000, 0.250000000000000, 0.500000000000000 ] mass: 138.905470 reduced_to: 17 - symbol: La # 24 coordinates: [ 0.750000000000000, 0.250000000000000, 0.500000000000000 ] mass: 138.905470 reduced_to: 17 - symbol: La # 25 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 138.905470 reduced_to: 17 - symbol: La # 26 coordinates: [ 0.250000000000000, 0.500000000000000, 0.500000000000000 ] mass: 138.905470 reduced_to: 17 - symbol: La # 27 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 138.905470 reduced_to: 17 - symbol: La # 28 coordinates: [ 0.750000000000000, 0.500000000000000, 0.500000000000000 ] mass: 138.905470 reduced_to: 17 - symbol: La # 29 coordinates: [ 0.000000000000000, 0.750000000000000, 0.500000000000000 ] mass: 138.905470 reduced_to: 17 - symbol: La # 30 coordinates: [ 0.250000000000000, 0.750000000000000, 0.500000000000000 ] mass: 138.905470 reduced_to: 17 - symbol: La # 31 coordinates: [ 0.500000000000000, 0.750000000000000, 0.500000000000000 ] mass: 138.905470 reduced_to: 17 - symbol: La # 32 coordinates: [ 0.750000000000000, 0.750000000000000, 0.500000000000000 ] mass: 138.905470 reduced_to: 17 - symbol: Ag # 33 coordinates: [ 0.083333332500000, 0.166666667500000, 0.250000000000000 ] mass: 107.868200 reduced_to: 33 - symbol: Ag # 34 coordinates: [ 0.333333332500000, 0.166666667500000, 0.250000000000000 ] mass: 107.868200 reduced_to: 33 - symbol: Ag # 35 coordinates: [ 0.583333332500000, 0.166666667500000, 0.250000000000000 ] mass: 107.868200 reduced_to: 33 - symbol: Ag # 36 coordinates: [ 0.833333332500000, 0.166666667500000, 0.250000000000000 ] mass: 107.868200 reduced_to: 33 - symbol: Ag # 37 coordinates: [ 0.083333332500000, 0.416666667500000, 0.250000000000000 ] mass: 107.868200 reduced_to: 33 - symbol: Ag # 38 coordinates: [ 0.333333332500000, 0.416666667500000, 0.250000000000000 ] mass: 107.868200 reduced_to: 33 - symbol: Ag # 39 coordinates: [ 0.583333332500000, 0.416666667500000, 0.250000000000000 ] mass: 107.868200 reduced_to: 33 - symbol: Ag # 40 coordinates: [ 0.833333332500000, 0.416666667500000, 0.250000000000000 ] mass: 107.868200 reduced_to: 33 - symbol: Ag # 41 coordinates: [ 0.083333332500000, 0.666666667500000, 0.250000000000000 ] mass: 107.868200 reduced_to: 33 - symbol: Ag # 42 coordinates: [ 0.333333332500000, 0.666666667500000, 0.250000000000000 ] mass: 107.868200 reduced_to: 33 - symbol: Ag # 43 coordinates: [ 0.583333332500000, 0.666666667500000, 0.250000000000000 ] mass: 107.868200 reduced_to: 33 - symbol: Ag # 44 coordinates: [ 0.833333332500000, 0.666666667500000, 0.250000000000000 ] mass: 107.868200 reduced_to: 33 - symbol: Ag # 45 coordinates: [ 0.083333332500000, 0.916666667500000, 0.250000000000000 ] mass: 107.868200 reduced_to: 33 - symbol: Ag # 46 coordinates: [ 0.333333332500000, 0.916666667500000, 0.250000000000000 ] mass: 107.868200 reduced_to: 33 - symbol: Ag # 47 coordinates: [ 0.583333332500000, 0.916666667500000, 0.250000000000000 ] mass: 107.868200 reduced_to: 33 - symbol: Ag # 48 coordinates: [ 0.833333332500000, 0.916666667500000, 0.250000000000000 ] mass: 107.868200 reduced_to: 33 - symbol: Ag # 49 coordinates: [ 0.166666667500000, 0.083333332500000, 0.750000000000000 ] mass: 107.868200 reduced_to: 49 - symbol: Ag # 50 coordinates: [ 0.416666667500000, 0.083333332500000, 0.750000000000000 ] mass: 107.868200 reduced_to: 49 - symbol: Ag # 51 coordinates: [ 0.666666667500000, 0.083333332500000, 0.750000000000000 ] mass: 107.868200 reduced_to: 49 - symbol: Ag # 52 coordinates: [ 0.916666667500000, 0.083333332500000, 0.750000000000000 ] mass: 107.868200 reduced_to: 49 - symbol: Ag # 53 coordinates: [ 0.166666667500000, 0.333333332500000, 0.750000000000000 ] mass: 107.868200 reduced_to: 49 - symbol: Ag # 54 coordinates: [ 0.416666667500000, 0.333333332500000, 0.750000000000000 ] mass: 107.868200 reduced_to: 49 - symbol: Ag # 55 coordinates: [ 0.666666667500000, 0.333333332500000, 0.750000000000000 ] mass: 107.868200 reduced_to: 49 - symbol: Ag # 56 coordinates: [ 0.916666667500000, 0.333333332500000, 0.750000000000000 ] mass: 107.868200 reduced_to: 49 - symbol: Ag # 57 coordinates: [ 0.166666667500000, 0.583333332500000, 0.750000000000000 ] mass: 107.868200 reduced_to: 49 - symbol: Ag # 58 coordinates: [ 0.416666667500000, 0.583333332500000, 0.750000000000000 ] mass: 107.868200 reduced_to: 49 - symbol: Ag # 59 coordinates: [ 0.666666667500000, 0.583333332500000, 0.750000000000000 ] mass: 107.868200 reduced_to: 49 - symbol: Ag # 60 coordinates: [ 0.916666667500000, 0.583333332500000, 0.750000000000000 ] mass: 107.868200 reduced_to: 49 - symbol: Ag # 61 coordinates: [ 0.166666667500000, 0.833333332500000, 0.750000000000000 ] mass: 107.868200 reduced_to: 49 - symbol: Ag # 62 coordinates: [ 0.416666667500000, 0.833333332500000, 0.750000000000000 ] mass: 107.868200 reduced_to: 49 - symbol: Ag # 63 coordinates: [ 0.666666667500000, 0.833333332500000, 0.750000000000000 ] mass: 107.868200 reduced_to: 49 - symbol: Ag # 64 coordinates: [ 0.916666667500000, 0.833333332500000, 0.750000000000000 ] mass: 107.868200 reduced_to: 49 - symbol: O # 65 coordinates: [ 0.083333332500000, 0.166666667500000, 0.083772450000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.333333332500000, 0.166666667500000, 0.083772450000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.583333332500000, 0.166666667500000, 0.083772450000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.833333332500000, 0.166666667500000, 0.083772450000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.083333332500000, 0.416666667500000, 0.083772450000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 70 coordinates: [ 0.333333332500000, 0.416666667500000, 0.083772450000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 71 coordinates: [ 0.583333332500000, 0.416666667500000, 0.083772450000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 72 coordinates: [ 0.833333332500000, 0.416666667500000, 0.083772450000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 73 coordinates: [ 0.083333332500000, 0.666666667500000, 0.083772450000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 74 coordinates: [ 0.333333332500000, 0.666666667500000, 0.083772450000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 75 coordinates: [ 0.583333332500000, 0.666666667500000, 0.083772450000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 76 coordinates: [ 0.833333332500000, 0.666666667500000, 0.083772450000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 77 coordinates: [ 0.083333332500000, 0.916666667500000, 0.083772450000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 78 coordinates: [ 0.333333332500000, 0.916666667500000, 0.083772450000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 79 coordinates: [ 0.583333332500000, 0.916666667500000, 0.083772450000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 80 coordinates: [ 0.833333332500000, 0.916666667500000, 0.083772450000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 81 coordinates: [ 0.083333332500000, 0.166666667500000, 0.416227550000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.333333332500000, 0.166666667500000, 0.416227550000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.583333332500000, 0.166666667500000, 0.416227550000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 84 coordinates: [ 0.833333332500000, 0.166666667500000, 0.416227550000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 85 coordinates: [ 0.083333332500000, 0.416666667500000, 0.416227550000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 86 coordinates: [ 0.333333332500000, 0.416666667500000, 0.416227550000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 87 coordinates: [ 0.583333332500000, 0.416666667500000, 0.416227550000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 88 coordinates: [ 0.833333332500000, 0.416666667500000, 0.416227550000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 89 coordinates: [ 0.083333332500000, 0.666666667500000, 0.416227550000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 90 coordinates: [ 0.333333332500000, 0.666666667500000, 0.416227550000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 91 coordinates: [ 0.583333332500000, 0.666666667500000, 0.416227550000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 92 coordinates: [ 0.833333332500000, 0.666666667500000, 0.416227550000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 93 coordinates: [ 0.083333332500000, 0.916666667500000, 0.416227550000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 94 coordinates: [ 0.333333332500000, 0.916666667500000, 0.416227550000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 95 coordinates: [ 0.583333332500000, 0.916666667500000, 0.416227550000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 96 coordinates: [ 0.833333332500000, 0.916666667500000, 0.416227550000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 97 coordinates: [ 0.166666667500000, 0.083333332500000, 0.583772450000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.416666667500000, 0.083333332500000, 0.583772450000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.666666667500000, 0.083333332500000, 0.583772450000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 100 coordinates: [ 0.916666667500000, 0.083333332500000, 0.583772450000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 101 coordinates: [ 0.166666667500000, 0.333333332500000, 0.583772450000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 102 coordinates: [ 0.416666667500000, 0.333333332500000, 0.583772450000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 103 coordinates: [ 0.666666667500000, 0.333333332500000, 0.583772450000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 104 coordinates: [ 0.916666667500000, 0.333333332500000, 0.583772450000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 105 coordinates: [ 0.166666667500000, 0.583333332500000, 0.583772450000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 106 coordinates: [ 0.416666667500000, 0.583333332500000, 0.583772450000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 107 coordinates: [ 0.666666667500000, 0.583333332500000, 0.583772450000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 108 coordinates: [ 0.916666667500000, 0.583333332500000, 0.583772450000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 109 coordinates: [ 0.166666667500000, 0.833333332500000, 0.583772450000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 110 coordinates: [ 0.416666667500000, 0.833333332500000, 0.583772450000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 111 coordinates: [ 0.666666667500000, 0.833333332500000, 0.583772450000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 112 coordinates: [ 0.916666667500000, 0.833333332500000, 0.583772450000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 113 coordinates: [ 0.166666667500000, 0.083333332500000, 0.916227550000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.416666667500000, 0.083333332500000, 0.916227550000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 115 coordinates: [ 0.666666667500000, 0.083333332500000, 0.916227550000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 116 coordinates: [ 0.916666667500000, 0.083333332500000, 0.916227550000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 117 coordinates: [ 0.166666667500000, 0.333333332500000, 0.916227550000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 118 coordinates: [ 0.416666667500000, 0.333333332500000, 0.916227550000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 119 coordinates: [ 0.666666667500000, 0.333333332500000, 0.916227550000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 120 coordinates: [ 0.916666667500000, 0.333333332500000, 0.916227550000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 121 coordinates: [ 0.166666667500000, 0.583333332500000, 0.916227550000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 122 coordinates: [ 0.416666667500000, 0.583333332500000, 0.916227550000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 123 coordinates: [ 0.666666667500000, 0.583333332500000, 0.916227550000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 124 coordinates: [ 0.916666667500000, 0.583333332500000, 0.916227550000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 125 coordinates: [ 0.166666667500000, 0.833333332500000, 0.916227550000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 126 coordinates: [ 0.416666667500000, 0.833333332500000, 0.916227550000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 127 coordinates: [ 0.666666667500000, 0.833333332500000, 0.916227550000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 128 coordinates: [ 0.916666667500000, 0.833333332500000, 0.916227550000000 ] mass: 15.999400 reduced_to: 113born_effective_charge:- # 1 (La) - [ 4.597136830000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 4.597136830000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.336597440000000 ]- # 2 (La) - [ 4.597136830000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 4.597136830000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.336597440000000 ]- # 3 (Ag) - [ -0.034121940000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -0.034121940000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.611912940000000 ]- # 4 (Ag) - [ -0.034121940000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -0.034121940000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.611912940000000 ]- # 5 (O) - [ -2.281507440000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -2.281507440000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.474255190000000 ]- # 6 (O) - [ -2.281507440000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -2.281507440000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.474255190000000 ]- # 7 (O) - [ -2.281507440000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -2.281507440000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.474255190000000 ]- # 8 (O) - [ -2.281507440000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -2.281507440000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.474255190000000 ]dielectric_constant: - [ 5.039638600000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 5.039638610000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.722694250000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1438658400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0334741700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0057672700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0329759300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0011841800000000, -0.0198435700000000, -0.0036797400000000 ] - [ -0.0012753700000000, 0.0199408900000000, 0.0037198100000000 ] - [ 0.0036221800000000, 0.0023274200000000, -0.0000243100000000 ] - [ 0.0036171000000000, -0.0023050500000000, 0.0000208100000000 ] - [ 0.0004080400000000, -0.0030929000000000, -0.0002861700000000 ] - [ -0.0003911800000000, -0.0000050600000000, 0.0000008100000000 ] - [ 0.0004080400000000, 0.0030929000000000, 0.0002861700000000 ] - [ -0.0003911800000000, 0.0000050600000000, -0.0000008100000000 ] - [ -0.0012753700000000, -0.0199408900000000, -0.0037198100000000 ] - [ 0.0036221800000000, -0.0023274200000000, 0.0000243100000000 ] - [ 0.0036171000000000, 0.0023050500000000, -0.0000208100000000 ] - [ -0.0011841800000000, 0.0198435700000000, 0.0036797400000000 ] - [ -0.0074028600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0022480300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0029245400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0022533700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0016082800000000, -0.0022352200000000, 0.0009556000000000 ] - [ -0.0016256900000000, 0.0022314900000000, -0.0009621900000000 ] - [ 0.0016035100000000, 0.0009519600000000, -0.0000542000000000 ] - [ 0.0016059200000000, -0.0009441900000000, 0.0000553400000000 ] - [ 0.0000430900000000, -0.0016628100000000, 0.0002933300000000 ] - [ -0.0000376000000000, -0.0000024300000000, -0.0000006800000000 ] - [ 0.0000430900000000, 0.0016628100000000, -0.0002933300000000 ] - [ -0.0000376000000000, 0.0000024300000000, 0.0000006800000000 ] - [ -0.0016256900000000, -0.0022314900000000, 0.0009621900000000 ] - [ 0.0016035100000000, -0.0009519600000000, 0.0000542000000000 ] - [ 0.0016059200000000, 0.0009441900000000, -0.0000553400000000 ] - [ -0.0016082800000000, 0.0022352200000000, -0.0009556000000000 ] - [ 0.0002713300000000, -0.0000063600000000, -0.0000297200000000 ] - [ -0.0000457700000000, -0.0000757500000000, 0.0011484700000000 ] - [ -0.0000251800000000, -0.0000005600000000, 0.0000019200000000 ] - [ -0.0000461400000000, 0.0000727500000000, -0.0011395700000000 ] - [ 0.0000048900000000, 0.0000979500000000, -0.0002062600000000 ] - [ 0.0000052100000000, -0.0000998400000000, 0.0002058000000000 ] - [ 0.0000061300000000, -0.0000204000000000, 0.0000658600000000 ] - [ 0.0000080000000000, 0.0000168900000000, -0.0000643100000000 ] - [ -0.0000273500000000, -0.0000006400000000, 0.0003340400000000 ] - [ -0.0000349100000000, 0.0000003500000000, 0.0000009600000000 ] - [ -0.0000257100000000, 0.0000052000000000, -0.0003331400000000 ] - [ 0.0000810000000000, 0.0000039900000000, -0.0000010300000000 ] - [ 0.0007160600000000, -0.0002610600000000, 0.0085243400000000 ] - [ -0.0000970900000000, 0.0000797100000000, 0.0005434900000000 ] - [ -0.0000916700000000, -0.0000775300000000, -0.0005374000000000 ] - [ 0.0006869400000000, 0.0002368000000000, -0.0084955200000000 ] - [ 0.0007160600000000, 0.0002610600000000, -0.0085243400000000 ] - [ -0.0000970900000000, -0.0000797100000000, -0.0005434900000000 ] - [ -0.0000916700000000, 0.0000775300000000, 0.0005374000000000 ] - [ 0.0006869400000000, -0.0002368000000000, 0.0084955200000000 ] - [ 0.0000810000000000, -0.0000039900000000, 0.0000010300000000 ] - [ -0.0000273500000000, 0.0000006400000000, -0.0003340400000000 ] - [ -0.0000349100000000, -0.0000003500000000, -0.0000009600000000 ] - [ -0.0000257100000000, -0.0000052000000000, 0.0003331400000000 ] - [ 0.0000061300000000, 0.0000204000000000, -0.0000658600000000 ] - [ 0.0000080000000000, -0.0000168900000000, 0.0000643100000000 ] - [ 0.0000048900000000, -0.0000979500000000, 0.0002062600000000 ] - [ 0.0000052100000000, 0.0000998400000000, -0.0002058000000000 ] - [ -0.0000457700000000, 0.0000757500000000, -0.0011484700000000 ] - [ -0.0000251800000000, 0.0000005600000000, -0.0000019200000000 ] - [ -0.0000461400000000, -0.0000727500000000, 0.0011395700000000 ] - [ 0.0002713300000000, 0.0000063600000000, 0.0000297200000000 ] - [ 0.0126148700000000, 0.0000197200000000, -0.0001977500000000 ] - [ -0.0028512400000000, -0.0039242800000000, -0.0022745900000000 ] - [ -0.0017815100000000, -0.0000015900000000, -0.0001958300000000 ] - [ -0.0028386600000000, 0.0038838900000000, 0.0018685400000000 ] - [ 0.0001688400000000, 0.0025221700000000, 0.0005015100000000 ] - [ 0.0001720300000000, -0.0025195500000000, -0.0008929900000000 ] - [ -0.0001519900000000, -0.0009436300000000, -0.0002839900000000 ] - [ -0.0001518100000000, 0.0009381900000000, -0.0001034100000000 ] - [ -0.0010622600000000, 0.0020322400000000, -0.0003856900000000 ] - [ -0.0015074300000000, 0.0000037200000000, -0.0001948700000000 ] - [ -0.0010710800000000, -0.0020309800000000, -0.0000039100000000 ] - [ 0.0039173200000000, -0.0000036000000000, -0.0001907700000000 ] - [ 0.0169379100000000, -0.0025054500000000, 0.0030090000000000 ] - [ -0.0043997600000000, 0.0013221800000000, -0.0010873100000000 ] - [ -0.0043817400000000, -0.0013096400000000, 0.0006898200000000 ] - [ 0.0159907800000000, 0.0019431500000000, -0.0028133100000000 ] - [ 0.0013165900000000, -0.0000000400000000, 0.0002058700000000 ] - [ -0.0002466900000000, -0.0007635500000000, -0.0004858800000000 ] - [ -0.0008950800000000, -0.0000012500000000, 0.0001931400000000 ] - [ -0.0002509600000000, 0.0007610300000000, 0.0008705900000000 ] - [ 0.0000871100000000, 0.0006222600000000, 0.0002068900000000 ] - [ 0.0000875700000000, -0.0006212300000000, 0.0001830400000000 ] - [ -0.0000809000000000, -0.0004713200000000, 0.0001402000000000 ] - [ -0.0000814900000000, 0.0004682500000000, 0.0002457200000000 ] - [ -0.0001768100000000, 0.0006855900000000, -0.0003315100000000 ] - [ -0.0007085300000000, 0.0000005600000000, 0.0001934100000000 ] - [ -0.0001796600000000, -0.0006862800000000, 0.0007186200000000 ] - [ 0.0010715900000000, -0.0000020700000000, 0.0001926800000000 ] - [ 0.0012285400000000, 0.0000523200000000, -0.0032915800000000 ] - [ -0.0011771600000000, 0.0001977800000000, -0.0003448700000000 ] - [ -0.0011785400000000, -0.0001980300000000, 0.0007291400000000 ] - [ 0.0012295700000000, -0.0000486000000000, 0.0036831000000000 ] - [ 0.0012285400000000, -0.0000523200000000, 0.0032915800000000 ] - [ -0.0011771600000000, -0.0001977800000000, 0.0003448700000000 ] - [ -0.0011785400000000, 0.0001980300000000, -0.0007291400000000 ] - [ 0.0012295700000000, 0.0000486000000000, -0.0036831000000000 ] - [ 0.0010715900000000, 0.0000020700000000, -0.0001926800000000 ] - [ -0.0001768100000000, -0.0006855900000000, 0.0003315100000000 ] - [ -0.0007085300000000, -0.0000005600000000, -0.0001934100000000 ] - [ -0.0001796600000000, 0.0006862800000000, -0.0007186200000000 ] - [ -0.0000809000000000, 0.0004713200000000, -0.0001402000000000 ] - [ -0.0000814900000000, -0.0004682500000000, -0.0002457200000000 ] - [ 0.0000871100000000, -0.0006222600000000, -0.0002068900000000 ] - [ 0.0000875700000000, 0.0006212300000000, -0.0001830400000000 ] - [ -0.0002466900000000, 0.0007635500000000, 0.0004858800000000 ] - [ -0.0008950800000000, 0.0000012500000000, -0.0001931400000000 ] - [ -0.0002509600000000, -0.0007610300000000, -0.0008705900000000 ] - [ 0.0013165900000000, 0.0000000400000000, -0.0002058700000000 ] - [ 0.0169379100000000, 0.0025054500000000, -0.0030090000000000 ] - [ -0.0043997600000000, -0.0013221800000000, 0.0010873100000000 ] - [ -0.0043817400000000, 0.0013096400000000, -0.0006898200000000 ] - [ 0.0159907800000000, -0.0019431500000000, 0.0028133100000000 ] - [ 0.0039173200000000, 0.0000036000000000, 0.0001907700000000 ] - [ -0.0010622600000000, -0.0020322400000000, 0.0003856900000000 ] - [ -0.0015074300000000, -0.0000037200000000, 0.0001948700000000 ] - [ -0.0010710800000000, 0.0020309800000000, 0.0000039100000000 ] - [ -0.0001519900000000, 0.0009436300000000, 0.0002839900000000 ] - [ -0.0001518100000000, -0.0009381900000000, 0.0001034100000000 ] - [ 0.0001688400000000, -0.0025221700000000, -0.0005015100000000 ] - [ 0.0001720300000000, 0.0025195500000000, 0.0008929900000000 ] - [ -0.0028512400000000, 0.0039242800000000, 0.0022745900000000 ] - [ -0.0017815100000000, 0.0000015900000000, 0.0001958300000000 ] - [ -0.0028386600000000, -0.0038838900000000, -0.0018685400000000 ] - [ 0.0126148700000000, -0.0000197200000000, 0.0001977500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0545837500000000 ] - [ -0.0000476600000000, 0.0042723100000000, -0.0085104000000000 ] - [ 0.0000000000000000, 0.0003310900000000, -0.0008818400000000 ] - [ 0.0000476600000000, 0.0042723100000000, -0.0085104000000000 ] - [ -0.0036761000000000, -0.0021774300000000, -0.0085104000000000 ] - [ 0.0036761000000000, -0.0021774300000000, -0.0085104000000000 ] - [ -0.0000245100000000, -0.0000141500000000, -0.0008801300000000 ] - [ 0.0000245100000000, -0.0000141500000000, -0.0008801300000000 ] - [ -0.0002867400000000, -0.0001655500000000, -0.0008818400000000 ] - [ 0.0000000000000000, 0.0000224500000000, -0.0008817500000000 ] - [ 0.0002867400000000, -0.0001655500000000, -0.0008818400000000 ] - [ 0.0000000000000000, 0.0000283100000000, -0.0008801300000000 ] - [ -0.0037237600000000, -0.0020948800000000, -0.0085104000000000 ] - [ 0.0000194400000000, -0.0000112300000000, -0.0008817500000000 ] - [ -0.0000194400000000, -0.0000112300000000, -0.0008817500000000 ] - [ 0.0037237600000000, -0.0020948800000000, -0.0085104000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0050276100000000 ] - [ 0.0000070000000000, 0.0011078700000000, 0.0027764100000000 ] - [ 0.0000000000000000, 0.0003387400000000, 0.0008462800000000 ] - [ -0.0000070000000000, 0.0011078700000000, 0.0027764100000000 ] - [ -0.0009629400000000, -0.0005478700000000, 0.0027764100000000 ] - [ 0.0009629400000000, -0.0005478700000000, 0.0027764100000000 ] - [ 0.0000546100000000, 0.0000315300000000, 0.0008013900000000 ] - [ -0.0000546100000000, 0.0000315300000000, 0.0008013900000000 ] - [ -0.0002933600000000, -0.0001693700000000, 0.0008462800000000 ] - [ 0.0000000000000000, -0.0000624400000000, 0.0008033700000000 ] - [ 0.0002933600000000, -0.0001693700000000, 0.0008462800000000 ] - [ 0.0000000000000000, -0.0000630600000000, 0.0008013900000000 ] - [ -0.0009559400000000, -0.0005600000000000, 0.0027764100000000 ] - [ -0.0000540700000000, 0.0000312200000000, 0.0008033700000000 ] - [ 0.0000540700000000, 0.0000312200000000, 0.0008033700000000 ] - [ 0.0009559400000000, -0.0005600000000000, 0.0027764100000000 ] - [ 0.0000000000000000, 0.0011042600000000, 0.0050686200000000 ] - [ 0.0001503600000000, 0.0000868100000000, 0.0000915900000000 ] - [ 0.0000000000000000, 0.0000041800000000, 0.0000111200000000 ] - [ -0.0001503600000000, 0.0000868100000000, 0.0000915900000000 ] - [ -0.0000197600000000, 0.0000942500000000, 0.0000203400000000 ] - [ 0.0000197600000000, 0.0000942500000000, 0.0000203400000000 ] - [ 0.0000036200000000, -0.0000020900000000, 0.0000111200000000 ] - [ -0.0000036200000000, -0.0000020900000000, 0.0000111200000000 ] - [ 0.0000717400000000, -0.0000642400000000, 0.0000203400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000183400000000 ] - [ -0.0000717400000000, -0.0000642400000000, 0.0000203400000000 ] - [ 0.0000000000000000, -0.0001736200000000, 0.0000915900000000 ] - [ 0.0009563100000000, -0.0005521300000000, 0.0050686200000000 ] - [ 0.0000915000000000, -0.0000300100000000, 0.0000203400000000 ] - [ -0.0000915000000000, -0.0000300100000000, 0.0000203400000000 ] - [ -0.0009563100000000, -0.0005521300000000, 0.0050686200000000 ] - [ -0.0009288200000000, -0.0005362600000000, 0.0050460200000000 ] - [ -0.0000921700000000, -0.0000295900000000, 0.0000223800000000 ] - [ 0.0000921700000000, -0.0000295900000000, 0.0000223800000000 ] - [ 0.0009288200000000, -0.0005362600000000, 0.0050460200000000 ] - [ 0.0000000000000000, -0.0001762500000000, 0.0000962700000000 ] - [ -0.0000717100000000, -0.0000650300000000, 0.0000223800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000156800000000 ] - [ 0.0000717100000000, -0.0000650300000000, 0.0000223800000000 ] - [ -0.0000034600000000, -0.0000019900000000, 0.0000122300000000 ] - [ 0.0000034600000000, -0.0000019900000000, 0.0000122300000000 ] - [ 0.0000204600000000, 0.0000946200000000, 0.0000223800000000 ] - [ -0.0000204600000000, 0.0000946200000000, 0.0000223800000000 ] - [ -0.0001526400000000, 0.0000881300000000, 0.0000962700000000 ] - [ 0.0000000000000000, 0.0000039900000000, 0.0000122300000000 ] - [ 0.0001526400000000, 0.0000881300000000, 0.0000962700000000 ] - [ 0.0000000000000000, 0.0010725100000000, 0.0050460200000000 ] - [ 0.0000000000000000, 0.0078736900000000, 0.0115431100000000 ] - [ -0.0004037300000000, -0.0002330900000000, 0.0014915600000000 ] - [ 0.0000000000000000, 0.0000029400000000, 0.0001639500000000 ] - [ 0.0004037300000000, -0.0002330900000000, 0.0014915600000000 ] - [ 0.0001264500000000, 0.0000296100000000, 0.0006899600000000 ] - [ -0.0001264500000000, 0.0000296100000000, 0.0006899600000000 ] - [ 0.0000025400000000, -0.0000014700000000, 0.0001639500000000 ] - [ -0.0000025400000000, -0.0000014700000000, 0.0001639500000000 ] - [ 0.0000888600000000, 0.0000947000000000, 0.0006899600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002376300000000 ] - [ -0.0000888600000000, 0.0000947000000000, 0.0006899600000000 ] - [ 0.0000000000000000, 0.0004661800000000, 0.0014915600000000 ] - [ 0.0068188200000000, -0.0039368400000000, 0.0115431100000000 ] - [ -0.0000375800000000, -0.0001243100000000, 0.0006899600000000 ] - [ 0.0000375800000000, -0.0001243100000000, 0.0006899600000000 ] - [ -0.0068188200000000, -0.0039368400000000, 0.0115431100000000 ] - [ 0.0000000000000000, 0.0000953000000000, -0.0035266500000000 ] - [ -0.0000993200000000, -0.0000573400000000, -0.0008886700000000 ] - [ 0.0000000000000000, -0.0000196900000000, -0.0001829200000000 ] - [ 0.0000993200000000, -0.0000573400000000, -0.0008886700000000 ] - [ 0.0000659200000000, -0.0000705200000000, -0.0005385100000000 ] - [ -0.0000659200000000, -0.0000705200000000, -0.0005385100000000 ] - [ -0.0000170500000000, 0.0000098400000000, -0.0001829200000000 ] - [ 0.0000170500000000, 0.0000098400000000, -0.0001829200000000 ] - [ -0.0000281100000000, 0.0000923500000000, -0.0005385100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001641200000000 ] - [ 0.0000281100000000, 0.0000923500000000, -0.0005385100000000 ] - [ 0.0000000000000000, 0.0001146900000000, -0.0008886700000000 ] - [ 0.0000825300000000, -0.0000476500000000, -0.0035266500000000 ] - [ -0.0000940300000000, -0.0000218300000000, -0.0005385100000000 ] - [ 0.0000940300000000, -0.0000218300000000, -0.0005385100000000 ] - [ -0.0000825300000000, -0.0000476500000000, -0.0035266500000000 ] - [ -0.0000888900000000, -0.0000513200000000, -0.0039009100000000 ] - [ 0.0000913200000000, -0.0000229300000000, -0.0009246900000000 ] - [ -0.0000913200000000, -0.0000229300000000, -0.0009246900000000 ] - [ 0.0000888900000000, -0.0000513200000000, -0.0039009100000000 ] - [ 0.0000000000000000, 0.0001110300000000, -0.0012791000000000 ] - [ 0.0000258000000000, 0.0000905500000000, -0.0009246900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005508900000000 ] - [ -0.0000258000000000, 0.0000905500000000, -0.0009246900000000 ] - [ 0.0000165400000000, 0.0000095500000000, -0.0005702600000000 ] - [ -0.0000165400000000, 0.0000095500000000, -0.0005702600000000 ] - [ -0.0000655200000000, -0.0000676200000000, -0.0009246900000000 ] - [ 0.0000655200000000, -0.0000676200000000, -0.0009246900000000 ] - [ 0.0000961600000000, -0.0000555200000000, -0.0012791000000000 ] - [ 0.0000000000000000, -0.0000190900000000, -0.0005702600000000 ] - [ -0.0000961600000000, -0.0000555200000000, -0.0012791000000000 ] - [ 0.0000000000000000, 0.0001026400000000, -0.0039009100000000 ] - [ -0.0065785800000000, -0.0037981400000000, 0.0118753000000000 ] - [ 0.0000437500000000, -0.0001221800000000, 0.0010693400000000 ] - [ -0.0000437500000000, -0.0001221800000000, 0.0010693400000000 ] - [ 0.0065785800000000, -0.0037981400000000, 0.0118753000000000 ] - [ 0.0000000000000000, 0.0004766200000000, 0.0018673800000000 ] - [ -0.0000839400000000, 0.0000989700000000, 0.0010693400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006203600000000 ] - [ 0.0000839400000000, 0.0000989700000000, 0.0010693400000000 ] - [ -0.0000023900000000, -0.0000013800000000, 0.0005467700000000 ] - [ 0.0000023900000000, -0.0000013800000000, 0.0005467700000000 ] - [ -0.0001276800000000, 0.0000232000000000, 0.0010693400000000 ] - [ 0.0001276800000000, 0.0000232000000000, 0.0010693400000000 ] - [ 0.0004127600000000, -0.0002383100000000, 0.0018673800000000 ] - [ 0.0000000000000000, 0.0000027600000000, 0.0005467700000000 ] - [ -0.0004127600000000, -0.0002383100000000, 0.0018673800000000 ] - [ 0.0000000000000000, 0.0075962900000000, 0.0118753000000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002697600000000, 0.0000267200000000, 0.0000028900000000 ] - [ -0.0000559600000000, 0.0000753900000000, -0.0001542000000000 ] - [ -0.0000259000000000, -0.0000018200000000, -0.0000011600000000 ] - [ -0.0000460200000000, -0.0000714900000000, 0.0001493600000000 ] - [ 0.0007279700000000, -0.0002625300000000, 0.0009377400000000 ] - [ 0.0006709000000000, 0.0002348600000000, -0.0009487400000000 ] - [ -0.0000976200000000, 0.0000454700000000, -0.0000936900000000 ] - [ -0.0000973400000000, -0.0000436100000000, 0.0000887700000000 ] - [ -0.0000276200000000, 0.0001194800000000, 0.0000689700000000 ] - [ 0.0000792100000000, -0.0000040700000000, -0.0000031000000000 ] - [ -0.0000299100000000, -0.0001183300000000, -0.0000723200000000 ] - [ -0.0000397600000000, 0.0000003000000000, -0.0000012500000000 ] - [ 0.0000002500000000, -0.0000204700000000, -0.0000223000000000 ] - [ 0.0000056100000000, 0.0000167500000000, -0.0000052900000000 ] - [ 0.0000028400000000, -0.0000203500000000, 0.0000031600000000 ] - [ 0.0000050000000000, 0.0000213200000000, 0.0000191500000000 ] - [ 0.0002697600000000, 0.0000267200000000, -0.0000028900000000 ] - [ -0.0000559600000000, 0.0000753900000000, 0.0001542000000000 ] - [ -0.0000259000000000, -0.0000018200000000, 0.0000011600000000 ] - [ -0.0000460200000000, -0.0000714900000000, -0.0001493600000000 ] - [ 0.0007279700000000, -0.0002625300000000, -0.0009377400000000 ] - [ 0.0006709000000000, 0.0002348600000000, 0.0009487400000000 ] - [ -0.0000976200000000, 0.0000454700000000, 0.0000936900000000 ] - [ -0.0000973400000000, -0.0000436100000000, -0.0000887700000000 ] - [ -0.0000276200000000, 0.0001194800000000, -0.0000689700000000 ] - [ 0.0000792100000000, -0.0000040700000000, 0.0000031000000000 ] - [ -0.0000299100000000, -0.0001183300000000, 0.0000723200000000 ] - [ -0.0000397600000000, 0.0000003000000000, 0.0000012500000000 ] - [ 0.0000002500000000, -0.0000204700000000, 0.0000223000000000 ] - [ 0.0000056100000000, 0.0000167500000000, 0.0000052900000000 ] - [ 0.0000028400000000, -0.0000203500000000, -0.0000031600000000 ] - [ 0.0000050000000000, 0.0000213200000000, -0.0000191500000000 ] - [ -0.0156080800000000, -0.0000175800000000, 0.0000000000000000 ] - [ -0.0024430700000000, 0.0001141800000000, 0.0000000000000000 ] - [ -0.0000687200000000, 0.0000008800000000, 0.0000000000000000 ] - [ -0.0024082600000000, -0.0001121900000000, 0.0000000000000000 ] - [ -0.0004473400000000, 0.0012527600000000, 0.0000000000000000 ] - [ -0.0004462400000000, -0.0012584800000000, 0.0000000000000000 ] - [ -0.0000025400000000, -0.0000059200000000, 0.0000000000000000 ] - [ -0.0000023400000000, 0.0000054700000000, 0.0000000000000000 ] - [ -0.0000200300000000, 0.0000294200000000, 0.0000000000000000 ] - [ 0.0000079800000000, 0.0000001600000000, 0.0000000000000000 ] - [ -0.0000206600000000, -0.0000303300000000, 0.0000000000000000 ] - [ 0.0000067900000000, 0.0000005100000000, 0.0000000000000000 ] - [ -0.0004448100000000, 0.0010309000000000, 0.0000000000000000 ] - [ -0.0000015200000000, 0.0000044700000000, 0.0000000000000000 ] - [ -0.0000015100000000, -0.0000066800000000, 0.0000000000000000 ] - [ -0.0004504300000000, -0.0010295100000000, 0.0000000000000000 ] - [ 0.0000529500000000, -0.0000569600000000, 0.0000000000000000 ] - [ -0.0000046400000000, 0.0000003500000000, 0.0000000000000000 ] - [ -0.0000044700000000, 0.0000006100000000, 0.0000000000000000 ] - [ 0.0000546200000000, 0.0000554100000000, 0.0000000000000000 ] - [ -0.0000433400000000, 0.0000013500000000, 0.0000000000000000 ] - [ 0.0000738000000000, 0.0000389800000000, 0.0000000000000000 ] - [ -0.0000059800000000, -0.0000006600000000, 0.0000000000000000 ] - [ 0.0000731100000000, -0.0000369800000000, 0.0000000000000000 ] - [ -0.0000007600000000, 0.0000025200000000, 0.0000000000000000 ] - [ -0.0000021800000000, -0.0000020100000000, 0.0000000000000000 ] - [ -0.0000009900000000, -0.0000034700000000, 0.0000000000000000 ] - [ -0.0000001300000000, 0.0000029700000000, 0.0000000000000000 ] - [ -0.0000009900000000, 0.0000022700000000, 0.0000000000000000 ] - [ -0.0000009400000000, -0.0000003800000000, 0.0000000000000000 ] - [ -0.0000016300000000, -0.0000017800000000, 0.0000000000000000 ] - [ 0.0000082300000000, -0.0000003100000000, 0.0000000000000000 ] - [ 0.0072773500000000, 0.0000112400000000, -0.0000927800000000 ] - [ 0.0005715200000000, -0.0001420400000000, -0.0003817800000000 ] - [ 0.0000434800000000, 0.0000001100000000, -0.0001933100000000 ] - [ 0.0005574000000000, 0.0001412800000000, 0.0000026400000000 ] - [ 0.0000256100000000, -0.0003815600000000, -0.0001367100000000 ] - [ 0.0000274100000000, 0.0003864800000000, -0.0002424800000000 ] - [ 0.0000259400000000, 0.0000053600000000, -0.0001379000000000 ] - [ 0.0000255100000000, -0.0000058200000000, -0.0002507500000000 ] - [ 0.0000013300000000, -0.0000244000000000, -0.0002050300000000 ] - [ -0.0000100600000000, 0.0000007400000000, -0.0001939500000000 ] - [ 0.0000013700000000, 0.0000239200000000, -0.0001833800000000 ] - [ 0.0000160300000000, -0.0000004300000000, -0.0001936400000000 ] - [ 0.0000875000000000, -0.0002063000000000, -0.0003291200000000 ] - [ 0.0000163300000000, -0.0000152500000000, -0.0001826200000000 ] - [ 0.0000155900000000, 0.0000151200000000, -0.0002052800000000 ] - [ 0.0000840000000000, 0.0002001800000000, -0.0000507000000000 ] - [ 0.0072773500000000, 0.0000112400000000, 0.0000927800000000 ] - [ 0.0005715200000000, -0.0001420400000000, 0.0003817800000000 ] - [ 0.0000434800000000, 0.0000001100000000, 0.0001933100000000 ] - [ 0.0005574000000000, 0.0001412800000000, -0.0000026400000000 ] - [ 0.0000256100000000, -0.0003815600000000, 0.0001367100000000 ] - [ 0.0000274100000000, 0.0003864800000000, 0.0002424800000000 ] - [ 0.0000259400000000, 0.0000053600000000, 0.0001379000000000 ] - [ 0.0000255100000000, -0.0000058200000000, 0.0002507500000000 ] - [ 0.0000013300000000, -0.0000244000000000, 0.0002050300000000 ] - [ -0.0000100600000000, 0.0000007400000000, 0.0001939500000000 ] - [ 0.0000013700000000, 0.0000239200000000, 0.0001833800000000 ] - [ 0.0000160300000000, -0.0000004300000000, 0.0001936400000000 ] - [ 0.0000875000000000, -0.0002063000000000, 0.0003291200000000 ] - [ 0.0000163300000000, -0.0000152500000000, 0.0001826200000000 ] - [ 0.0000155900000000, 0.0000151200000000, 0.0002052800000000 ] - [ 0.0000840000000000, 0.0002001800000000, 0.0000507000000000 ] - [ 0.0002609200000000, -0.0003388800000000, -0.0000038500000000 ] - [ 0.0000199200000000, -0.0000126500000000, -0.0002186200000000 ] - [ 0.0000195700000000, 0.0000137000000000, -0.0001724400000000 ] - [ 0.0002470500000000, 0.0003310100000000, -0.0003853500000000 ] - [ -0.0003261200000000, 0.0000090500000000, -0.0001925500000000 ] - [ 0.0003517300000000, 0.0001912600000000, 0.0000018500000000 ] - [ 0.0000354900000000, 0.0000002500000000, -0.0001954600000000 ] - [ 0.0003473900000000, -0.0001882800000000, -0.0003928200000000 ] - [ -0.0000236800000000, -0.0000136700000000, -0.0001911800000000 ] - [ -0.0000222000000000, 0.0000149400000000, -0.0001996300000000 ] - [ 0.0000234000000000, 0.0000069600000000, -0.0002010000000000 ] - [ 0.0000227600000000, -0.0000071400000000, -0.0001901400000000 ] - [ -0.0000025200000000, -0.0000232700000000, -0.0002142900000000 ] - [ -0.0000026100000000, 0.0000004000000000, -0.0001954300000000 ] - [ -0.0000028000000000, 0.0000232400000000, -0.0001777000000000 ] - [ 0.0000210500000000, -0.0000031500000000, -0.0001943200000000 ] - [ 0.0002609200000000, -0.0003388800000000, 0.0000038500000000 ] - [ 0.0000199200000000, -0.0000126500000000, 0.0002186200000000 ] - [ 0.0000195700000000, 0.0000137000000000, 0.0001724400000000 ] - [ 0.0002470500000000, 0.0003310100000000, 0.0003853500000000 ] - [ -0.0003261200000000, 0.0000090500000000, 0.0001925500000000 ] - [ 0.0003517300000000, 0.0001912600000000, -0.0000018500000000 ] - [ 0.0000354900000000, 0.0000002500000000, 0.0001954600000000 ] - [ 0.0003473900000000, -0.0001882800000000, 0.0003928200000000 ] - [ -0.0000236800000000, -0.0000136700000000, 0.0001911800000000 ] - [ -0.0000222000000000, 0.0000149400000000, 0.0001996300000000 ] - [ 0.0000234000000000, 0.0000069600000000, 0.0002010000000000 ] - [ 0.0000227600000000, -0.0000071400000000, 0.0001901400000000 ] - [ -0.0000025200000000, -0.0000232700000000, 0.0002142900000000 ] - [ -0.0000026100000000, 0.0000004000000000, 0.0001954300000000 ] - [ -0.0000028000000000, 0.0000232400000000, 0.0001777000000000 ] - [ 0.0000210500000000, -0.0000031500000000, 0.0001943200000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0097900300000000, 0.0050212500000000 ] - [ -0.0011420700000000, 0.0006593700000000, 0.0000923300000000 ] - [ 0.0000000000000000, 0.0000737500000000, 0.0000088300000000 ] - [ 0.0011420700000000, 0.0006593700000000, 0.0000923300000000 ] - [ 0.0084784200000000, -0.0048950200000000, 0.0050212500000000 ] - [ -0.0084784200000000, -0.0048950200000000, 0.0050212500000000 ] - [ -0.0005401000000000, -0.0000735700000000, 0.0000202200000000 ] - [ 0.0005401000000000, -0.0000735700000000, 0.0000202200000000 ] - [ 0.0003337600000000, -0.0004309500000000, 0.0000202200000000 ] - [ 0.0000000000000000, -0.0013187500000000, 0.0000923300000000 ] - [ -0.0003337600000000, -0.0004309500000000, 0.0000202200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000176800000000 ] - [ -0.0002063400000000, 0.0005045200000000, 0.0000202200000000 ] - [ -0.0000638700000000, -0.0000368700000000, 0.0000088300000000 ] - [ 0.0000638700000000, -0.0000368700000000, 0.0000088300000000 ] - [ 0.0002063400000000, 0.0005045200000000, 0.0000202200000000 ] - [ 0.0000000000000000, -0.0098651100000000, 0.0050896800000000 ] - [ 0.0011442700000000, -0.0006606500000000, 0.0000898200000000 ] - [ 0.0000000000000000, -0.0000749700000000, 0.0000086800000000 ] - [ -0.0011442700000000, -0.0006606500000000, 0.0000898200000000 ] - [ -0.0085434400000000, 0.0049325600000000, 0.0050896800000000 ] - [ 0.0085434400000000, 0.0049325600000000, 0.0050896800000000 ] - [ 0.0005407100000000, 0.0000731500000000, 0.0000171900000000 ] - [ -0.0005407100000000, 0.0000731500000000, 0.0000171900000000 ] - [ -0.0003337000000000, 0.0004317000000000, 0.0000171900000000 ] - [ 0.0000000000000000, 0.0013212900000000, 0.0000898200000000 ] - [ 0.0003337000000000, 0.0004317000000000, 0.0000171900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000209600000000 ] - [ 0.0002070100000000, -0.0005048400000000, 0.0000171900000000 ] - [ 0.0000649300000000, 0.0000374800000000, 0.0000086800000000 ] - [ -0.0000649300000000, 0.0000374800000000, 0.0000086800000000 ] - [ -0.0002070100000000, -0.0005048400000000, 0.0000171900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2438664700000000 ] - [ 0.0000038300000000, 0.0000008000000000, -0.0004973100000000 ] - [ 0.0000000000000000, -0.0000001800000000, -0.0001417200000000 ] - [ -0.0000038300000000, 0.0000008000000000, -0.0004973100000000 ] - [ -0.0000026100000000, 0.0000029100000000, -0.0004973100000000 ] - [ 0.0000026100000000, 0.0000029100000000, -0.0004973100000000 ] - [ -0.0000008100000000, -0.0000004700000000, -0.0001466700000000 ] - [ 0.0000008100000000, -0.0000004700000000, -0.0001466700000000 ] - [ 0.0000001500000000, 0.0000000900000000, -0.0001417200000000 ] - [ 0.0000000000000000, 0.0000006900000000, -0.0001469000000000 ] - [ -0.0000001500000000, 0.0000000900000000, -0.0001417200000000 ] - [ 0.0000000000000000, 0.0000009300000000, -0.0001466700000000 ] - [ 0.0000012200000000, -0.0000037100000000, -0.0004973100000000 ] - [ 0.0000006000000000, -0.0000003400000000, -0.0001469000000000 ] - [ -0.0000006000000000, -0.0000003400000000, -0.0001469000000000 ] - [ -0.0000012200000000, -0.0000037100000000, -0.0004973100000000 ] - [ -0.0000012500000000, 0.0000007200000000, 0.0012141900000000 ] - [ 0.0000001500000000, 0.0000003400000000, 0.0001821600000000 ] - [ -0.0000001500000000, 0.0000003400000000, 0.0001821600000000 ] - [ 0.0000012500000000, 0.0000007200000000, 0.0012141900000000 ] - [ 0.0000000000000000, -0.0000014400000000, 0.0012141900000000 ] - [ 0.0000000300000000, 0.0000000200000000, 0.0005025500000000 ] - [ 0.0000000000000000, 0.0000002200000000, 0.0001470700000000 ] - [ -0.0000000300000000, 0.0000000200000000, 0.0005025500000000 ] - [ -0.0000003700000000, -0.0000000500000000, 0.0001821600000000 ] - [ 0.0000003700000000, -0.0000000500000000, 0.0001821600000000 ] - [ 0.0000001900000000, -0.0000001100000000, 0.0001470700000000 ] - [ -0.0000001900000000, -0.0000001100000000, 0.0001470700000000 ] - [ -0.0000002300000000, -0.0000003000000000, 0.0001821600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000877600000000 ] - [ 0.0000002300000000, -0.0000003000000000, 0.0001821600000000 ] - [ 0.0000000000000000, -0.0000000300000000, 0.0005025500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1058881900000000 ] - [ 0.0011781700000000, -0.0003088200000000, 0.0006001300000000 ] - [ 0.0000000000000000, -0.0000749900000000, -0.0000202300000000 ] - [ -0.0011781700000000, -0.0003088200000000, 0.0006001300000000 ] - [ -0.0003216500000000, 0.0011747400000000, 0.0006001300000000 ] - [ 0.0003216500000000, 0.0011747400000000, 0.0006001300000000 ] - [ 0.0001011500000000, 0.0000584000000000, -0.0000034100000000 ] - [ -0.0001011500000000, 0.0000584000000000, -0.0000034100000000 ] - [ 0.0000649500000000, 0.0000375000000000, -0.0000202300000000 ] - [ 0.0000000000000000, 0.0002241400000000, -0.0000095700000000 ] - [ -0.0000649500000000, 0.0000375000000000, -0.0000202300000000 ] - [ 0.0000000000000000, -0.0001168000000000, -0.0000034100000000 ] - [ 0.0008565300000000, -0.0008659200000000, 0.0006001300000000 ] - [ 0.0001941100000000, -0.0001120700000000, -0.0000095700000000 ] - [ -0.0001941100000000, -0.0001120700000000, -0.0000095700000000 ] - [ -0.0008565300000000, -0.0008659200000000, 0.0006001300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1125358400000000 ] - [ -0.0011807600000000, 0.0003091100000000, 0.0009974100000000 ] - [ 0.0000000000000000, 0.0000750500000000, 0.0003721200000000 ] - [ 0.0011807600000000, 0.0003091100000000, 0.0009974100000000 ] - [ 0.0003226800000000, -0.0011771200000000, 0.0009974100000000 ] - [ -0.0003226800000000, -0.0011771200000000, 0.0009974100000000 ] - [ -0.0001010700000000, -0.0000583500000000, 0.0003891900000000 ] - [ 0.0001010700000000, -0.0000583500000000, 0.0003891900000000 ] - [ -0.0000649900000000, -0.0000375200000000, 0.0003721200000000 ] - [ 0.0000000000000000, -0.0002243200000000, 0.0003844200000000 ] - [ 0.0000649900000000, -0.0000375200000000, 0.0003721200000000 ] - [ 0.0000000000000000, 0.0001167000000000, 0.0003891900000000 ] - [ -0.0008580800000000, 0.0008680100000000, 0.0009974100000000 ] - [ -0.0001942700000000, 0.0001121600000000, 0.0003844200000000 ] - [ 0.0001942700000000, 0.0001121600000000, 0.0003844200000000 ] - [ 0.0008580800000000, 0.0008680100000000, 0.0009974100000000 ] - [ -0.0014593300000000, 0.0008425400000000, -0.0021945900000000 ] - [ -0.0002137600000000, 0.0000134300000000, -0.0004307700000000 ] - [ 0.0002137600000000, 0.0000134300000000, -0.0004307700000000 ] - [ 0.0014593300000000, 0.0008425400000000, -0.0021945900000000 ] - [ 0.0000000000000000, -0.0016850900000000, -0.0021945900000000 ] - [ -0.0013307300000000, -0.0007683000000000, -0.0010268900000000 ] - [ 0.0000000000000000, -0.0000897100000000, -0.0003769700000000 ] - [ 0.0013307300000000, -0.0007683000000000, -0.0010268900000000 ] - [ 0.0000952400000000, -0.0001918400000000, -0.0004307700000000 ] - [ -0.0000952400000000, -0.0001918400000000, -0.0004307700000000 ] - [ -0.0000776900000000, 0.0000448500000000, -0.0003769700000000 ] - [ 0.0000776900000000, 0.0000448500000000, -0.0003769700000000 ] - [ -0.0001185100000000, 0.0001784000000000, -0.0004307700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003090700000000 ] - [ 0.0001185100000000, 0.0001784000000000, -0.0004307700000000 ] - [ 0.0000000000000000, 0.0015365900000000, -0.0010268900000000 ] - [ 0.0014595000000000, -0.0008426500000000, -0.0017958600000000 ] - [ 0.0002137300000000, -0.0000135000000000, -0.0000384900000000 ] - [ -0.0002137300000000, -0.0000135000000000, -0.0000384900000000 ] - [ -0.0014595000000000, -0.0008426500000000, -0.0017958600000000 ] - [ 0.0000000000000000, 0.0016852900000000, -0.0017958600000000 ] - [ 0.0013249800000000, 0.0007649800000000, -0.0006337200000000 ] - [ 0.0000000000000000, 0.0000894000000000, 0.0000153500000000 ] - [ -0.0013249800000000, 0.0007649800000000, -0.0006337200000000 ] - [ -0.0000951800000000, 0.0001918500000000, -0.0000384900000000 ] - [ 0.0000951800000000, 0.0001918500000000, -0.0000384900000000 ] - [ 0.0000774200000000, -0.0000447000000000, 0.0000153500000000 ] - [ -0.0000774200000000, -0.0000447000000000, 0.0000153500000000 ] - [ 0.0001185500000000, -0.0001783500000000, -0.0000384900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000823300000000 ] - [ -0.0001185500000000, -0.0001783500000000, -0.0000384900000000 ] - [ 0.0000000000000000, -0.0015299600000000, -0.0006337200000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0126125100000000, -0.0000056800000000, -0.0000158900000000 ] - [ -0.0028436200000000, 0.0039228100000000, 0.0004093800000000 ] - [ -0.0017851900000000, 0.0000033800000000, -0.0000002400000000 ] - [ -0.0028500600000000, -0.0038842900000000, -0.0004069100000000 ] - [ 0.0160685000000000, -0.0019444800000000, 0.0064093400000000 ] - [ 0.0168492100000000, 0.0025008500000000, -0.0069914500000000 ] - [ -0.0044037700000000, -0.0001135700000000, 0.0000410400000000 ] - [ -0.0043829800000000, 0.0001118600000000, -0.0000400700000000 ] - [ -0.0010647100000000, 0.0032236400000000, 0.0000847100000000 ] - [ 0.0039146900000000, -0.0000086700000000, -0.0000033700000000 ] - [ -0.0010738900000000, -0.0032474300000000, -0.0000883000000000 ] - [ -0.0015100300000000, -0.0000076300000000, -0.0000009700000000 ] - [ 0.0001770900000000, 0.0013077900000000, 0.0001260600000000 ] - [ -0.0001531400000000, 0.0009399900000000, -0.0000034700000000 ] - [ -0.0001569900000000, -0.0009420900000000, 0.0000012400000000 ] - [ 0.0001587400000000, -0.0013280000000000, -0.0001276700000000 ] - [ 0.0013133400000000, -0.0000099300000000, 0.0000120800000000 ] - [ -0.0002456400000000, 0.0007658400000000, -0.0000957500000000 ] - [ -0.0008987700000000, 0.0000010200000000, 0.0000007600000000 ] - [ -0.0002563600000000, -0.0007611700000000, 0.0000995900000000 ] - [ 0.0012112900000000, 0.0000582700000000, -0.0000736700000000 ] - [ 0.0012419300000000, -0.0000424100000000, 0.0000970900000000 ] - [ -0.0011792600000000, -0.0001089600000000, -0.0000912600000000 ] - [ -0.0011820800000000, 0.0001101200000000, 0.0000939000000000 ] - [ -0.0001821700000000, 0.0007735400000000, 0.0000292700000000 ] - [ 0.0010692200000000, 0.0000024600000000, 0.0000020000000000 ] - [ -0.0001793500000000, -0.0007765100000000, -0.0000255300000000 ] - [ -0.0007115100000000, -0.0000035600000000, 0.0000010900000000 ] - [ 0.0000871700000000, 0.0005275100000000, -0.0000640900000000 ] - [ -0.0000813500000000, 0.0004693700000000, -0.0000161800000000 ] - [ -0.0000854200000000, -0.0004691100000000, 0.0000174000000000 ] - [ 0.0000816000000000, -0.0005370200000000, 0.0000671800000000 ] - [ 0.0072787400000000, -0.0000234100000000, -0.0002528600000000 ] - [ 0.0005652700000000, -0.0000741800000000, -0.0011875800000000 ] - [ 0.0000432300000000, -0.0000001400000000, -0.0000012800000000 ] - [ 0.0005642300000000, 0.0000728100000000, 0.0011711300000000 ] - [ 0.0000858300000000, -0.0004177800000000, 0.0008522900000000 ] - [ 0.0000855100000000, 0.0004191400000000, -0.0008623600000000 ] - [ 0.0000159900000000, 0.0000146600000000, -0.0001952400000000 ] - [ 0.0000161400000000, -0.0000152200000000, 0.0001926800000000 ] - [ 0.0000010700000000, -0.0000243400000000, 0.0000643700000000 ] - [ 0.0000155600000000, 0.0000002200000000, -0.0000003600000000 ] - [ 0.0000011400000000, 0.0000242000000000, -0.0000652600000000 ] - [ -0.0000100500000000, -0.0000000200000000, -0.0000001400000000 ] - [ 0.0000254600000000, -0.0001667200000000, -0.0003216900000000 ] - [ 0.0000253400000000, -0.0000056900000000, -0.0001018500000000 ] - [ 0.0000259200000000, 0.0000058900000000, 0.0001008000000000 ] - [ 0.0000276800000000, 0.0001713600000000, 0.0003231500000000 ] - [ 0.0002541100000000, -0.0003369800000000, 0.0014627400000000 ] - [ 0.0000199100000000, -0.0000099700000000, 0.0002149400000000 ] - [ 0.0000199900000000, 0.0000101700000000, -0.0002126500000000 ] - [ 0.0002547900000000, 0.0003334300000000, -0.0014554400000000 ] - [ -0.0003258600000000, -0.0000007000000000, 0.0000069700000000 ] - [ 0.0003501200000000, 0.0001896800000000, 0.0013334900000000 ] - [ 0.0000360900000000, 0.0000002300000000, 0.0000013200000000 ] - [ 0.0003491400000000, -0.0001890700000000, -0.0013221100000000 ] - [ -0.0000229000000000, -0.0000112900000000, -0.0000939000000000 ] - [ -0.0000227000000000, 0.0000112200000000, 0.0000959300000000 ] - [ 0.0000232700000000, 0.0000072800000000, 0.0000783900000000 ] - [ 0.0000237600000000, -0.0000075200000000, -0.0000767300000000 ] - [ -0.0000022600000000, -0.0000261800000000, 0.0001198300000000 ] - [ -0.0000025100000000, 0.0000000600000000, 0.0000004300000000 ] - [ -0.0000020300000000, 0.0000265300000000, -0.0001184300000000 ] - [ 0.0000208300000000, 0.0000022600000000, -0.0000036100000000 ] - [ -0.0610653000000000, -0.0005488700000000, 0.0006699500000000 ] - [ 0.0058788500000000, -0.0022575800000000, 0.0015819900000000 ] - [ 0.0018194600000000, -0.0000018800000000, -0.0001899300000000 ] - [ 0.0058137800000000, 0.0022296400000000, -0.0019433900000000 ] - [ -0.0006916800000000, -0.0059981600000000, -0.0019292400000000 ] - [ -0.0006985400000000, 0.0060416300000000, 0.0015814500000000 ] - [ 0.0008969500000000, 0.0005791600000000, 0.0001749700000000 ] - [ 0.0008937800000000, -0.0005731900000000, -0.0005539400000000 ] - [ 0.0001072400000000, -0.0009828200000000, -0.0002715200000000 ] - [ -0.0001026600000000, 0.0000031600000000, -0.0001905700000000 ] - [ 0.0001132100000000, 0.0009902400000000, -0.0001087100000000 ] - [ -0.0001026300000000, 0.0000041500000000, -0.0001923700000000 ] - [ -0.0007166500000000, -0.0015269600000000, -0.0001868000000000 ] - [ 0.0008945100000000, -0.0005770700000000, -0.0000688900000000 ] - [ 0.0008961700000000, 0.0005753400000000, -0.0003117000000000 ] - [ -0.0006734000000000, 0.0015386700000000, -0.0002025200000000 ] - [ -0.0045314800000000, 0.0000038100000000, 0.0001907400000000 ] - [ -0.0000461000000000, -0.0000000900000000, 0.0010473800000000 ] - [ 0.0005667500000000, -0.0000006900000000, 0.0001929300000000 ] - [ -0.0000377600000000, -0.0000005100000000, -0.0006615200000000 ] - [ -0.0002979400000000, -0.0001520200000000, -0.0004427600000000 ] - [ -0.0002996800000000, 0.0001439900000000, 0.0008233600000000 ] - [ 0.0002916800000000, 0.0001776500000000, 0.0003823500000000 ] - [ 0.0002920800000000, -0.0001775900000000, 0.0000025900000000 ] - [ 0.0000159600000000, -0.0003172600000000, 0.0001125300000000 ] - [ -0.0000158800000000, -0.0000006300000000, 0.0001920900000000 ] - [ 0.0000181200000000, 0.0003176700000000, 0.0002699700000000 ] - [ -0.0000156800000000, 0.0000012200000000, 0.0001914500000000 ] - [ -0.0003019800000000, -0.0001472900000000, 0.0004101200000000 ] - [ 0.0002908600000000, -0.0001780700000000, 0.0003268900000000 ] - [ 0.0002929900000000, 0.0001771200000000, 0.0000565700000000 ] - [ -0.0002957300000000, 0.0001497600000000, -0.0000331300000000 ] - [ -0.0004863600000000, -0.0000458000000000, -0.0009955400000000 ] - [ 0.0003608800000000, -0.0001325200000000, -0.0003671500000000 ] - [ 0.0003629600000000, 0.0001321200000000, -0.0000195000000000 ] - [ -0.0004793000000000, 0.0000481200000000, 0.0005998400000000 ] - [ -0.0005642800000000, -0.0000024900000000, -0.0001990400000000 ] - [ -0.0000760300000000, 0.0000427000000000, -0.0009364100000000 ] - [ 0.0005296100000000, 0.0000009200000000, -0.0001930200000000 ] - [ -0.0000695400000000, -0.0000442900000000, 0.0005433200000000 ] - [ -0.0002081200000000, -0.0001962200000000, -0.0001397700000000 ] - [ -0.0002081100000000, 0.0001970200000000, -0.0002477500000000 ] - [ 0.0002077700000000, 0.0001876500000000, -0.0002670300000000 ] - [ 0.0002077900000000, -0.0001839000000000, -0.0001185900000000 ] - [ 0.0000200200000000, -0.0003284500000000, -0.0003141400000000 ] - [ 0.0000974000000000, 0.0000002300000000, -0.0001922600000000 ] - [ 0.0000225800000000, 0.0003300700000000, -0.0000721200000000 ] - [ -0.0001481800000000, 0.0000034900000000, -0.0001925000000000 ] - [ 0.0009306000000000, -0.0071866800000000, -0.0066619700000000 ] - [ 0.0011350900000000, -0.0004671100000000, -0.0001935900000000 ] - [ 0.0011345000000000, 0.0004602300000000, 0.0005739000000000 ] - [ 0.0009585500000000, 0.0070876000000000, 0.0069816400000000 ] - [ -0.0114172500000000, 0.0000124400000000, 0.0001952800000000 ] - [ 0.0085193400000000, 0.0049664600000000, -0.0037977300000000 ] - [ 0.0018305800000000, 0.0000026700000000, 0.0001902400000000 ] - [ 0.0084484500000000, -0.0049334300000000, 0.0041565800000000 ] - [ -0.0006600700000000, -0.0005691300000000, 0.0004104500000000 ] - [ -0.0006577100000000, 0.0005745900000000, -0.0000280100000000 ] - [ 0.0006838200000000, 0.0006674000000000, 0.0001076100000000 ] - [ 0.0006807500000000, -0.0006585900000000, 0.0002761100000000 ] - [ 0.0001413400000000, -0.0010375000000000, 0.0000280500000000 ] - [ 0.0001564800000000, -0.0000005700000000, 0.0001916400000000 ] - [ 0.0001470600000000, 0.0010336500000000, 0.0003564800000000 ] - [ -0.0000897200000000, 0.0000389400000000, 0.0002103400000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0032066600000000, 0.0116811000000000 ] - [ 0.0020713400000000, -0.0011958900000000, 0.0016711800000000 ] - [ 0.0000000000000000, -0.0001022100000000, 0.0003508200000000 ] - [ -0.0020713400000000, -0.0011958900000000, 0.0016711800000000 ] - [ 0.0027770500000000, -0.0016033300000000, 0.0116811000000000 ] - [ -0.0027770500000000, -0.0016033300000000, 0.0116811000000000 ] - [ 0.0008931800000000, -0.0002976500000000, 0.0008781500000000 ] - [ -0.0008931800000000, -0.0002976500000000, 0.0008781500000000 ] - [ -0.0001888200000000, 0.0009223500000000, 0.0008781500000000 ] - [ 0.0000000000000000, 0.0023917800000000, 0.0016711800000000 ] - [ 0.0001888200000000, 0.0009223500000000, 0.0008781500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004253600000000 ] - [ 0.0007043700000000, -0.0006246900000000, 0.0008781500000000 ] - [ 0.0000885200000000, 0.0000511000000000, 0.0003508200000000 ] - [ -0.0000885200000000, 0.0000511000000000, 0.0003508200000000 ] - [ -0.0007043700000000, -0.0006246900000000, 0.0008781500000000 ] - [ 0.0000000000000000, 0.0040437000000000, -0.0037282100000000 ] - [ -0.0006813300000000, 0.0003933600000000, -0.0010864300000000 ] - [ 0.0000000000000000, 0.0000630700000000, -0.0003791800000000 ] - [ 0.0006813300000000, 0.0003933600000000, -0.0010864300000000 ] - [ 0.0035019500000000, -0.0020218500000000, -0.0037282100000000 ] - [ -0.0035019500000000, -0.0020218500000000, -0.0037282100000000 ] - [ -0.0005372400000000, -0.0003004100000000, -0.0007361400000000 ] - [ 0.0005372400000000, -0.0003004100000000, -0.0007361400000000 ] - [ 0.0005287800000000, -0.0003150600000000, -0.0007361400000000 ] - [ 0.0000000000000000, -0.0007867300000000, -0.0010864300000000 ] - [ -0.0005287800000000, -0.0003150600000000, -0.0007361400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003589300000000 ] - [ -0.0000084600000000, 0.0006154700000000, -0.0007361400000000 ] - [ -0.0000546200000000, -0.0000315400000000, -0.0003791800000000 ] - [ 0.0000546200000000, -0.0000315400000000, -0.0003791800000000 ] - [ 0.0000084600000000, 0.0006154700000000, -0.0007361400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1122919400000000 ] - [ 0.0001840600000000, 0.0000508300000000, 0.0008010900000000 ] - [ 0.0000000000000000, 0.0000136500000000, 0.0001767800000000 ] - [ -0.0001840600000000, 0.0000508300000000, 0.0008010900000000 ] - [ -0.0001360500000000, 0.0001339800000000, 0.0008010900000000 ] - [ 0.0001360500000000, 0.0001339800000000, 0.0008010900000000 ] - [ -0.0000108000000000, -0.0000062300000000, 0.0001887300000000 ] - [ 0.0000108000000000, -0.0000062300000000, 0.0001887300000000 ] - [ -0.0000118200000000, -0.0000068200000000, 0.0001767800000000 ] - [ 0.0000000000000000, -0.0000643400000000, 0.0001939400000000 ] - [ 0.0000118200000000, -0.0000068200000000, 0.0001767800000000 ] - [ 0.0000000000000000, 0.0000124700000000, 0.0001887300000000 ] - [ 0.0000480100000000, -0.0001848100000000, 0.0008010900000000 ] - [ -0.0000557200000000, 0.0000321700000000, 0.0001939400000000 ] - [ 0.0000557200000000, 0.0000321700000000, 0.0001939400000000 ] - [ -0.0000480100000000, -0.0001848100000000, 0.0008010900000000 ] - [ -0.0001893400000000, 0.0001093100000000, -0.0019954200000000 ] - [ 0.0000229500000000, -0.0000084500000000, -0.0002368500000000 ] - [ -0.0000229500000000, -0.0000084500000000, -0.0002368500000000 ] - [ 0.0001893400000000, 0.0001093100000000, -0.0019954200000000 ] - [ 0.0000000000000000, -0.0002186300000000, -0.0019954200000000 ] - [ -0.0001975700000000, -0.0001140700000000, -0.0008356800000000 ] - [ 0.0000000000000000, 0.0000044400000000, -0.0001833000000000 ] - [ 0.0001975700000000, -0.0001140700000000, -0.0008356800000000 ] - [ -0.0000041600000000, 0.0000241000000000, -0.0002368500000000 ] - [ 0.0000041600000000, 0.0000241000000000, -0.0002368500000000 ] - [ 0.0000038400000000, -0.0000022200000000, -0.0001833000000000 ] - [ -0.0000038400000000, -0.0000022200000000, -0.0001833000000000 ] - [ 0.0000187900000000, -0.0000156500000000, -0.0002368500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001151300000000 ] - [ -0.0000187900000000, -0.0000156500000000, -0.0002368500000000 ] - [ 0.0000000000000000, 0.0002281400000000, -0.0008356800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1576956000000000 ] - [ -0.0017697600000000, 0.0010102700000000, -0.0035959600000000 ] - [ 0.0000000000000000, 0.0000956900000000, -0.0007888600000000 ] - [ 0.0017697600000000, 0.0010102700000000, -0.0035959600000000 ] - [ 0.0000099600000000, -0.0020377900000000, -0.0035959600000000 ] - [ -0.0000099600000000, -0.0020377900000000, -0.0035959600000000 ] - [ -0.0001221200000000, -0.0000705100000000, -0.0008097600000000 ] - [ 0.0001221200000000, -0.0000705100000000, -0.0008097600000000 ] - [ -0.0000828700000000, -0.0000478500000000, -0.0007888600000000 ] - [ 0.0000000000000000, -0.0004213500000000, -0.0008093700000000 ] - [ 0.0000828700000000, -0.0000478500000000, -0.0007888600000000 ] - [ 0.0000000000000000, 0.0001410100000000, -0.0008097600000000 ] - [ -0.0017598000000000, 0.0010275200000000, -0.0035959600000000 ] - [ -0.0003649000000000, 0.0002106800000000, -0.0008093700000000 ] - [ 0.0003649000000000, 0.0002106800000000, -0.0008093700000000 ] - [ 0.0017598000000000, 0.0010275200000000, -0.0035959600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0058786500000000 ] - [ 0.0008596000000000, -0.0002391900000000, 0.0009920200000000 ] - [ 0.0000000000000000, -0.0000913300000000, 0.0003403800000000 ] - [ -0.0008596000000000, -0.0002391900000000, 0.0009920200000000 ] - [ -0.0002226500000000, 0.0008640300000000, 0.0009920200000000 ] - [ 0.0002226500000000, 0.0008640300000000, 0.0009920200000000 ] - [ 0.0001351500000000, 0.0000780300000000, 0.0003041600000000 ] - [ -0.0001351500000000, 0.0000780300000000, 0.0003041600000000 ] - [ 0.0000790900000000, 0.0000456600000000, 0.0003403800000000 ] - [ 0.0000000000000000, 0.0002202000000000, 0.0003041200000000 ] - [ -0.0000790900000000, 0.0000456600000000, 0.0003403800000000 ] - [ 0.0000000000000000, -0.0001560500000000, 0.0003041600000000 ] - [ 0.0006369500000000, -0.0006248400000000, 0.0009920200000000 ] - [ 0.0001907000000000, -0.0001101000000000, 0.0003041200000000 ] - [ -0.0001907000000000, -0.0001101000000000, 0.0003041200000000 ] - [ -0.0006369500000000, -0.0006248400000000, 0.0009920200000000 ] - [ 0.0008008600000000, -0.0004623700000000, 0.0020660800000000 ] - [ 0.0001753500000000, -0.0000384900000000, 0.0003877100000000 ] - [ -0.0001753500000000, -0.0000384900000000, 0.0003877100000000 ] - [ -0.0008008600000000, -0.0004623700000000, 0.0020660800000000 ] - [ 0.0000000000000000, 0.0009247500000000, 0.0020660800000000 ] - [ 0.0007434600000000, 0.0004292400000000, 0.0010437000000000 ] - [ 0.0000000000000000, 0.0000859100000000, 0.0002484800000000 ] - [ -0.0007434600000000, 0.0004292400000000, 0.0010437000000000 ] - [ -0.0000543400000000, 0.0001711000000000, 0.0003877100000000 ] - [ 0.0000543400000000, 0.0001711000000000, 0.0003877100000000 ] - [ 0.0000744000000000, -0.0000429600000000, 0.0002484800000000 ] - [ -0.0000744000000000, -0.0000429600000000, 0.0002484800000000 ] - [ 0.0001210100000000, -0.0001326100000000, 0.0003877100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001022600000000 ] - [ -0.0001210100000000, -0.0001326100000000, 0.0003877100000000 ] - [ 0.0000000000000000, -0.0008584800000000, 0.0010437000000000 ] - [ -0.0067822500000000, 0.0039157400000000, 0.0051320300000000 ] - [ -0.0003840100000000, -0.0000312000000000, 0.0001755000000000 ] - [ 0.0003840100000000, -0.0000312000000000, 0.0001755000000000 ] - [ 0.0067822500000000, 0.0039157400000000, 0.0051320300000000 ] - [ 0.0000000000000000, -0.0078314700000000, 0.0051320300000000 ] - [ -0.0039967600000000, -0.0023075300000000, 0.0025206900000000 ] - [ 0.0000000000000000, -0.0000984600000000, 0.0001536100000000 ] - [ 0.0039967600000000, -0.0023075300000000, 0.0025206900000000 ] - [ 0.0002190300000000, -0.0003169600000000, 0.0001755000000000 ] - [ -0.0002190300000000, -0.0003169600000000, 0.0001755000000000 ] - [ -0.0000852700000000, 0.0000492300000000, 0.0001536100000000 ] - [ 0.0000852700000000, 0.0000492300000000, 0.0001536100000000 ] - [ -0.0001649800000000, 0.0003481600000000, 0.0001755000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001996100000000 ] - [ 0.0001649800000000, 0.0003481600000000, 0.0001755000000000 ] - [ 0.0000000000000000, 0.0046150600000000, 0.0025206900000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0035060500000000, -0.0117295000000000 ] - [ -0.0020689800000000, 0.0011945300000000, -0.0016818100000000 ] - [ 0.0000000000000000, 0.0001036400000000, -0.0003531600000000 ] - [ 0.0020689800000000, 0.0011945300000000, -0.0016818100000000 ] - [ -0.0030363200000000, 0.0017530200000000, -0.0117295000000000 ] - [ 0.0030363200000000, 0.0017530200000000, -0.0117295000000000 ] - [ -0.0008845300000000, 0.0002885200000000, -0.0008751300000000 ] - [ 0.0008845300000000, 0.0002885200000000, -0.0008751300000000 ] - [ 0.0001924000000000, -0.0009102800000000, -0.0008751300000000 ] - [ 0.0000000000000000, -0.0023890500000000, -0.0016818100000000 ] - [ -0.0001924000000000, -0.0009102800000000, -0.0008751300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004260600000000 ] - [ -0.0006921300000000, 0.0006217700000000, -0.0008751300000000 ] - [ -0.0000897600000000, -0.0000518200000000, -0.0003531600000000 ] - [ 0.0000897600000000, -0.0000518200000000, -0.0003531600000000 ] - [ 0.0006921300000000, 0.0006217700000000, -0.0008751300000000 ] - [ 0.0000000000000000, -0.0040077900000000, 0.0037062700000000 ] - [ 0.0006728600000000, -0.0003884700000000, 0.0010877100000000 ] - [ 0.0000000000000000, -0.0000586500000000, 0.0003806100000000 ] - [ -0.0006728600000000, -0.0003884700000000, 0.0010877100000000 ] - [ -0.0034708500000000, 0.0020038900000000, 0.0037062700000000 ] - [ 0.0034708500000000, 0.0020038900000000, 0.0037062700000000 ] - [ 0.0005352200000000, 0.0002943600000000, 0.0007332200000000 ] - [ -0.0005352200000000, 0.0002943600000000, 0.0007332200000000 ] - [ -0.0005225400000000, 0.0003163400000000, 0.0007332200000000 ] - [ 0.0000000000000000, 0.0007769500000000, 0.0010877100000000 ] - [ 0.0005225400000000, 0.0003163400000000, 0.0007332200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003590100000000 ] - [ 0.0000126900000000, -0.0006107000000000, 0.0007332200000000 ] - [ 0.0000508000000000, 0.0000293300000000, 0.0003806100000000 ] - [ -0.0000508000000000, 0.0000293300000000, 0.0003806100000000 ] - [ -0.0000126900000000, -0.0006107000000000, 0.0007332200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1061303300000000 ] - [ -0.0001981400000000, -0.0000486200000000, -0.0007963200000000 ] - [ 0.0000000000000000, -0.0000119300000000, -0.0001742600000000 ] - [ 0.0001981400000000, -0.0000486200000000, -0.0007963200000000 ] - [ 0.0001411700000000, -0.0001472800000000, -0.0007963200000000 ] - [ -0.0001411700000000, -0.0001472800000000, -0.0007963200000000 ] - [ 0.0000100200000000, 0.0000057900000000, -0.0001852100000000 ] - [ -0.0000100200000000, 0.0000057900000000, -0.0001852100000000 ] - [ 0.0000103300000000, 0.0000059600000000, -0.0001742600000000 ] - [ 0.0000000000000000, 0.0000635700000000, -0.0001902400000000 ] - [ -0.0000103300000000, 0.0000059600000000, -0.0001742600000000 ] - [ 0.0000000000000000, -0.0000115700000000, -0.0001852100000000 ] - [ -0.0000569600000000, 0.0001959000000000, -0.0007963200000000 ] - [ 0.0000550500000000, -0.0000317800000000, -0.0001902400000000 ] - [ -0.0000550500000000, -0.0000317800000000, -0.0001902400000000 ] - [ 0.0000569600000000, 0.0001959000000000, -0.0007963200000000 ] - [ 0.0001922000000000, -0.0001109700000000, 0.0019952800000000 ] - [ -0.0000227600000000, 0.0000074900000000, 0.0002335000000000 ] - [ 0.0000227600000000, 0.0000074900000000, 0.0002335000000000 ] - [ -0.0001922000000000, -0.0001109700000000, 0.0019952800000000 ] - [ 0.0000000000000000, 0.0002219400000000, 0.0019952800000000 ] - [ 0.0001963800000000, 0.0001133800000000, 0.0008262900000000 ] - [ 0.0000000000000000, -0.0000070800000000, 0.0001791900000000 ] - [ -0.0001963800000000, 0.0001133800000000, 0.0008262900000000 ] - [ 0.0000048900000000, -0.0000234500000000, 0.0002335000000000 ] - [ -0.0000048900000000, -0.0000234500000000, 0.0002335000000000 ] - [ -0.0000061300000000, 0.0000035400000000, 0.0001791900000000 ] - [ 0.0000061300000000, 0.0000035400000000, 0.0001791900000000 ] - [ -0.0000178700000000, 0.0000159600000000, 0.0002335000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001128500000000 ] - [ 0.0000178700000000, 0.0000159600000000, 0.0002335000000000 ] - [ 0.0000000000000000, -0.0002267600000000, 0.0008262900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1512548100000000 ] - [ 0.0017567600000000, -0.0010074100000000, 0.0031974200000000 ] - [ 0.0000000000000000, -0.0000928500000000, 0.0003992500000000 ] - [ -0.0017567600000000, -0.0010074100000000, 0.0031974200000000 ] - [ -0.0000059400000000, 0.0020251000000000, 0.0031974200000000 ] - [ 0.0000059400000000, 0.0020251000000000, 0.0031974200000000 ] - [ 0.0001204900000000, 0.0000695600000000, 0.0004190800000000 ] - [ -0.0001204900000000, 0.0000695600000000, 0.0004190800000000 ] - [ 0.0000804100000000, 0.0000464200000000, 0.0003992500000000 ] - [ 0.0000000000000000, 0.0004209800000000, 0.0004187400000000 ] - [ -0.0000804100000000, 0.0000464200000000, 0.0003992500000000 ] - [ 0.0000000000000000, -0.0001391300000000, 0.0004190800000000 ] - [ 0.0017508200000000, -0.0010177000000000, 0.0031974200000000 ] - [ 0.0003645800000000, -0.0002104900000000, 0.0004187400000000 ] - [ -0.0003645800000000, -0.0002104900000000, 0.0004187400000000 ] - [ -0.0017508200000000, -0.0010177000000000, 0.0031974200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0052803100000000 ] - [ -0.0008499100000000, 0.0002365800000000, -0.0006006200000000 ] - [ 0.0000000000000000, 0.0000908200000000, 0.0000482900000000 ] - [ 0.0008499100000000, 0.0002365800000000, -0.0006006200000000 ] - [ 0.0002200700000000, -0.0008543400000000, -0.0006006200000000 ] - [ -0.0002200700000000, -0.0008543400000000, -0.0006006200000000 ] - [ -0.0001343100000000, -0.0000775500000000, 0.0000841600000000 ] - [ 0.0001343100000000, -0.0000775500000000, 0.0000841600000000 ] - [ -0.0000786500000000, -0.0000454100000000, 0.0000482900000000 ] - [ 0.0000000000000000, -0.0002183600000000, 0.0000845300000000 ] - [ 0.0000786500000000, -0.0000454100000000, 0.0000482900000000 ] - [ 0.0000000000000000, 0.0001550900000000, 0.0000841600000000 ] - [ -0.0006298400000000, 0.0006177600000000, -0.0006006200000000 ] - [ -0.0001891100000000, 0.0001091800000000, 0.0000845300000000 ] - [ 0.0001891100000000, 0.0001091800000000, 0.0000845300000000 ] - [ 0.0006298400000000, 0.0006177600000000, -0.0006006200000000 ] - [ -0.0007946500000000, 0.0004587900000000, -0.0024479200000000 ] - [ -0.0001734700000000, 0.0000386900000000, -0.0007746300000000 ] - [ 0.0001734700000000, 0.0000386900000000, -0.0007746300000000 ] - [ 0.0007946500000000, 0.0004587900000000, -0.0024479200000000 ] - [ 0.0000000000000000, -0.0009175800000000, -0.0024479200000000 ] - [ -0.0007359500000000, -0.0004249000000000, -0.0014266300000000 ] - [ 0.0000000000000000, -0.0000855200000000, -0.0006364800000000 ] - [ 0.0007359500000000, -0.0004249000000000, -0.0014266300000000 ] - [ 0.0000532300000000, -0.0001695700000000, -0.0007746300000000 ] - [ -0.0000532300000000, -0.0001695700000000, -0.0007746300000000 ] - [ -0.0000740600000000, 0.0000427600000000, -0.0006364800000000 ] - [ 0.0000740600000000, 0.0000427600000000, -0.0006364800000000 ] - [ -0.0001202400000000, 0.0001308800000000, -0.0007746300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004914700000000 ] - [ 0.0001202400000000, 0.0001308800000000, -0.0007746300000000 ] - [ 0.0000000000000000, 0.0008498100000000, -0.0014266300000000 ] - [ 0.0068619400000000, -0.0039617500000000, -0.0047729700000000 ] - [ 0.0003832600000000, 0.0000328500000000, 0.0002136200000000 ] - [ -0.0003832600000000, 0.0000328500000000, 0.0002136200000000 ] - [ -0.0068619400000000, -0.0039617500000000, -0.0047729700000000 ] - [ 0.0000000000000000, 0.0079234900000000, -0.0047729700000000 ] - [ 0.0039583800000000, 0.0022853700000000, -0.0021244000000000 ] - [ 0.0000000000000000, 0.0000966600000000, 0.0002355100000000 ] - [ -0.0039583800000000, 0.0022853700000000, -0.0021244000000000 ] - [ -0.0002200800000000, 0.0003154900000000, 0.0002136200000000 ] - [ 0.0002200800000000, 0.0003154900000000, 0.0002136200000000 ] - [ 0.0000837100000000, -0.0000483300000000, 0.0002355100000000 ] - [ -0.0000837100000000, -0.0000483300000000, 0.0002355100000000 ] - [ 0.0001631800000000, -0.0003483400000000, 0.0002136200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001881100000000 ] - [ -0.0001631800000000, -0.0003483400000000, 0.0002136200000000 ] - [ 0.0000000000000000, -0.0045707500000000, -0.0021244000000000 ]