# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/4cec701a-dfde-4f50-a977-4ca2e110dff8/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 Li2CdGeO4 / Pmn2_1 (31) / materials id 7688](https://mdr.nims.go.jp/datasets/2cc630f8-899f-4308-a45e-ffa30d30e23e) ## 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: "Pmn2_1" number: 31 Hall_symbol: "P 2ac -2"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 6.626727880000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.461998040000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.143529580000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.250425230000000, 0.829685090000000, 0.988225330000000 ] mass: 6.941000 - symbol: Li # 2 coordinates: [ 0.750425230000000, 0.170314910000000, 0.488225330000000 ] mass: 6.941000 - symbol: Li # 3 coordinates: [ 0.749574770000000, 0.829685090000000, 0.988225330000000 ] mass: 6.941000 - symbol: Li # 4 coordinates: [ 0.249574770000000, 0.170314910000000, 0.488225330000000 ] mass: 6.941000 - symbol: O # 5 coordinates: [ 0.000000000000000, 0.367946640000000, 0.562017510000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.000000000000000, 0.704190460000000, 0.138572140000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.500000000000000, 0.632053360000000, 0.062017510000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.500000000000000, 0.295809540000000, 0.638572140000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.286577460000000, 0.164033620000000, 0.111038130000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.213422540000000, 0.835966380000000, 0.611038130000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.786577460000000, 0.835966380000000, 0.611038130000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.713422540000000, 0.164033620000000, 0.111038130000000 ] mass: 15.999400 - symbol: Ge # 13 coordinates: [ 0.000000000000000, 0.684928670000000, 0.481871670000000 ] mass: 72.640000 - symbol: Ge # 14 coordinates: [ 0.500000000000000, 0.315071330000000, 0.981871670000000 ] mass: 72.640000 - symbol: Cd # 15 coordinates: [ 0.500000000000000, 0.679663280000000, 0.491011760000000 ] mass: 112.411000 - symbol: Cd # 16 coordinates: [ 0.000000000000000, 0.320336720000000, 0.991011760000000 ] mass: 112.411000 reciprocal_lattice: # without 2pi - [ 0.150904038630903, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.183083185434464, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.194419023833047 ] # c*unit_cell: lattice: - [ 6.626727880000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.461998040000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.143529580000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.250425230000000, 0.829685090000000, 0.988225330000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.750425230000000, 0.170314910000000, 0.488225330000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 3 coordinates: [ 0.749574770000000, 0.829685090000000, 0.988225330000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 4 coordinates: [ 0.249574770000000, 0.170314910000000, 0.488225330000000 ] mass: 6.941000 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.000000000000000, 0.367946640000000, 0.562017510000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.000000000000000, 0.704190460000000, 0.138572140000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.500000000000000, 0.632053360000000, 0.062017510000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.500000000000000, 0.295809540000000, 0.638572140000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.286577460000000, 0.164033620000000, 0.111038130000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.213422540000000, 0.835966380000000, 0.611038130000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.786577460000000, 0.835966380000000, 0.611038130000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.713422540000000, 0.164033620000000, 0.111038130000000 ] mass: 15.999400 reduced_to: 12 - symbol: Ge # 13 coordinates: [ 0.000000000000000, 0.684928670000000, 0.481871670000000 ] mass: 72.640000 reduced_to: 13 - symbol: Ge # 14 coordinates: [ 0.500000000000000, 0.315071330000000, 0.981871670000000 ] mass: 72.640000 reduced_to: 14 - symbol: Cd # 15 coordinates: [ 0.500000000000000, 0.679663280000000, 0.491011760000000 ] mass: 112.411000 reduced_to: 15 - symbol: Cd # 16 coordinates: [ 0.000000000000000, 0.320336720000000, 0.991011760000000 ] mass: 112.411000 reduced_to: 16supercell: lattice: - [ 13.253455760000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.923996080000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.287059160000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.125212615000000, 0.414842545000000, 0.494112665000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.625212615000000, 0.414842545000000, 0.494112665000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 3 coordinates: [ 0.125212615000000, 0.914842545000000, 0.494112665000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 4 coordinates: [ 0.625212615000000, 0.914842545000000, 0.494112665000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 5 coordinates: [ 0.125212615000000, 0.414842545000000, 0.994112665000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 6 coordinates: [ 0.625212615000000, 0.414842545000000, 0.994112665000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 7 coordinates: [ 0.125212615000000, 0.914842545000000, 0.994112665000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 8 coordinates: [ 0.625212615000000, 0.914842545000000, 0.994112665000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 9 coordinates: [ 0.375212615000000, 0.085157455000000, 0.244112665000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 10 coordinates: [ 0.875212615000000, 0.085157455000000, 0.244112665000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 11 coordinates: [ 0.375212615000000, 0.585157455000000, 0.244112665000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 12 coordinates: [ 0.875212615000000, 0.585157455000000, 0.244112665000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 13 coordinates: [ 0.375212615000000, 0.085157455000000, 0.744112665000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 14 coordinates: [ 0.875212615000000, 0.085157455000000, 0.744112665000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 15 coordinates: [ 0.375212615000000, 0.585157455000000, 0.744112665000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 16 coordinates: [ 0.875212615000000, 0.585157455000000, 0.744112665000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 17 coordinates: [ 0.374787385000000, 0.414842545000000, 0.494112665000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 18 coordinates: [ 0.874787385000000, 0.414842545000000, 0.494112665000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 19 coordinates: [ 0.374787385000000, 0.914842545000000, 0.494112665000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 20 coordinates: [ 0.874787385000000, 0.914842545000000, 0.494112665000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 21 coordinates: [ 0.374787385000000, 0.414842545000000, 0.994112665000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 22 coordinates: [ 0.874787385000000, 0.414842545000000, 0.994112665000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 23 coordinates: [ 0.374787385000000, 0.914842545000000, 0.994112665000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 24 coordinates: [ 0.874787385000000, 0.914842545000000, 0.994112665000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 25 coordinates: [ 0.124787385000000, 0.085157455000000, 0.244112665000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 26 coordinates: [ 0.624787385000000, 0.085157455000000, 0.244112665000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 27 coordinates: [ 0.124787385000000, 0.585157455000000, 0.244112665000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 28 coordinates: [ 0.624787385000000, 0.585157455000000, 0.244112665000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 29 coordinates: [ 0.124787385000000, 0.085157455000000, 0.744112665000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 30 coordinates: [ 0.624787385000000, 0.085157455000000, 0.744112665000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 31 coordinates: [ 0.124787385000000, 0.585157455000000, 0.744112665000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 32 coordinates: [ 0.624787385000000, 0.585157455000000, 0.744112665000000 ] mass: 6.941000 reduced_to: 25 - symbol: O # 33 coordinates: [ 0.000000000000000, 0.183973320000000, 0.281008755000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.500000000000000, 0.183973320000000, 0.281008755000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.000000000000000, 0.683973320000000, 0.281008755000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 36 coordinates: [ 0.500000000000000, 0.683973320000000, 0.281008755000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 37 coordinates: [ 0.000000000000000, 0.183973320000000, 0.781008755000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 38 coordinates: [ 0.500000000000000, 0.183973320000000, 0.781008755000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 39 coordinates: [ 0.000000000000000, 0.683973320000000, 0.781008755000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 40 coordinates: [ 0.500000000000000, 0.683973320000000, 0.781008755000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 41 coordinates: [ 0.000000000000000, 0.352095230000000, 0.069286070000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.500000000000000, 0.352095230000000, 0.069286070000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.000000000000000, 0.852095230000000, 0.069286070000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 44 coordinates: [ 0.500000000000000, 0.852095230000000, 0.069286070000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 45 coordinates: [ 0.000000000000000, 0.352095230000000, 0.569286070000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 46 coordinates: [ 0.500000000000000, 0.352095230000000, 0.569286070000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 47 coordinates: [ 0.000000000000000, 0.852095230000000, 0.569286070000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 48 coordinates: [ 0.500000000000000, 0.852095230000000, 0.569286070000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 49 coordinates: [ 0.250000000000000, 0.316026680000000, 0.031008755000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.750000000000000, 0.316026680000000, 0.031008755000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.250000000000000, 0.816026680000000, 0.031008755000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.750000000000000, 0.816026680000000, 0.031008755000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.250000000000000, 0.316026680000000, 0.531008755000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 54 coordinates: [ 0.750000000000000, 0.316026680000000, 0.531008755000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 55 coordinates: [ 0.250000000000000, 0.816026680000000, 0.531008755000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 56 coordinates: [ 0.750000000000000, 0.816026680000000, 0.531008755000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 57 coordinates: [ 0.250000000000000, 0.147904770000000, 0.319286070000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.750000000000000, 0.147904770000000, 0.319286070000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.250000000000000, 0.647904770000000, 0.319286070000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.750000000000000, 0.647904770000000, 0.319286070000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.250000000000000, 0.147904770000000, 0.819286070000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 62 coordinates: [ 0.750000000000000, 0.147904770000000, 0.819286070000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 63 coordinates: [ 0.250000000000000, 0.647904770000000, 0.819286070000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 64 coordinates: [ 0.750000000000000, 0.647904770000000, 0.819286070000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 65 coordinates: [ 0.143288730000000, 0.082016810000000, 0.055519065000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.643288730000000, 0.082016810000000, 0.055519065000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.143288730000000, 0.582016810000000, 0.055519065000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.643288730000000, 0.582016810000000, 0.055519065000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.143288730000000, 0.082016810000000, 0.555519065000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 70 coordinates: [ 0.643288730000000, 0.082016810000000, 0.555519065000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 71 coordinates: [ 0.143288730000000, 0.582016810000000, 0.555519065000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 72 coordinates: [ 0.643288730000000, 0.582016810000000, 0.555519065000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 73 coordinates: [ 0.106711270000000, 0.417983190000000, 0.305519065000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.606711270000000, 0.417983190000000, 0.305519065000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.106711270000000, 0.917983190000000, 0.305519065000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.606711270000000, 0.917983190000000, 0.305519065000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.106711270000000, 0.417983190000000, 0.805519065000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 78 coordinates: [ 0.606711270000000, 0.417983190000000, 0.805519065000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 79 coordinates: [ 0.106711270000000, 0.917983190000000, 0.805519065000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 80 coordinates: [ 0.606711270000000, 0.917983190000000, 0.805519065000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 81 coordinates: [ 0.393288730000000, 0.417983190000000, 0.305519065000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.893288730000000, 0.417983190000000, 0.305519065000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.393288730000000, 0.917983190000000, 0.305519065000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 84 coordinates: [ 0.893288730000000, 0.917983190000000, 0.305519065000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 85 coordinates: [ 0.393288730000000, 0.417983190000000, 0.805519065000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 86 coordinates: [ 0.893288730000000, 0.417983190000000, 0.805519065000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 87 coordinates: [ 0.393288730000000, 0.917983190000000, 0.805519065000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 88 coordinates: [ 0.893288730000000, 0.917983190000000, 0.805519065000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 89 coordinates: [ 0.356711270000000, 0.082016810000000, 0.055519065000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.856711270000000, 0.082016810000000, 0.055519065000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.356711270000000, 0.582016810000000, 0.055519065000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 92 coordinates: [ 0.856711270000000, 0.582016810000000, 0.055519065000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 93 coordinates: [ 0.356711270000000, 0.082016810000000, 0.555519065000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 94 coordinates: [ 0.856711270000000, 0.082016810000000, 0.555519065000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 95 coordinates: [ 0.356711270000000, 0.582016810000000, 0.555519065000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 96 coordinates: [ 0.856711270000000, 0.582016810000000, 0.555519065000000 ] mass: 15.999400 reduced_to: 89 - symbol: Ge # 97 coordinates: [ 0.000000000000000, 0.342464335000000, 0.240935835000000 ] mass: 72.640000 reduced_to: 97 - symbol: Ge # 98 coordinates: [ 0.500000000000000, 0.342464335000000, 0.240935835000000 ] mass: 72.640000 reduced_to: 97 - symbol: Ge # 99 coordinates: [ 0.000000000000000, 0.842464335000000, 0.240935835000000 ] mass: 72.640000 reduced_to: 97 - symbol: Ge # 100 coordinates: [ 0.500000000000000, 0.842464335000000, 0.240935835000000 ] mass: 72.640000 reduced_to: 97 - symbol: Ge # 101 coordinates: [ 0.000000000000000, 0.342464335000000, 0.740935835000000 ] mass: 72.640000 reduced_to: 97 - symbol: Ge # 102 coordinates: [ 0.500000000000000, 0.342464335000000, 0.740935835000000 ] mass: 72.640000 reduced_to: 97 - symbol: Ge # 103 coordinates: [ 0.000000000000000, 0.842464335000000, 0.740935835000000 ] mass: 72.640000 reduced_to: 97 - symbol: Ge # 104 coordinates: [ 0.500000000000000, 0.842464335000000, 0.740935835000000 ] mass: 72.640000 reduced_to: 97 - symbol: Ge # 105 coordinates: [ 0.250000000000000, 0.157535665000000, 0.490935835000000 ] mass: 72.640000 reduced_to: 105 - symbol: Ge # 106 coordinates: [ 0.750000000000000, 0.157535665000000, 0.490935835000000 ] mass: 72.640000 reduced_to: 105 - symbol: Ge # 107 coordinates: [ 0.250000000000000, 0.657535665000000, 0.490935835000000 ] mass: 72.640000 reduced_to: 105 - symbol: Ge # 108 coordinates: [ 0.750000000000000, 0.657535665000000, 0.490935835000000 ] mass: 72.640000 reduced_to: 105 - symbol: Ge # 109 coordinates: [ 0.250000000000000, 0.157535665000000, 0.990935835000000 ] mass: 72.640000 reduced_to: 105 - symbol: Ge # 110 coordinates: [ 0.750000000000000, 0.157535665000000, 0.990935835000000 ] mass: 72.640000 reduced_to: 105 - symbol: Ge # 111 coordinates: [ 0.250000000000000, 0.657535665000000, 0.990935835000000 ] mass: 72.640000 reduced_to: 105 - symbol: Ge # 112 coordinates: [ 0.750000000000000, 0.657535665000000, 0.990935835000000 ] mass: 72.640000 reduced_to: 105 - symbol: Cd # 113 coordinates: [ 0.250000000000000, 0.339831640000000, 0.245505880000000 ] mass: 112.411000 reduced_to: 113 - symbol: Cd # 114 coordinates: [ 0.750000000000000, 0.339831640000000, 0.245505880000000 ] mass: 112.411000 reduced_to: 113 - symbol: Cd # 115 coordinates: [ 0.250000000000000, 0.839831640000000, 0.245505880000000 ] mass: 112.411000 reduced_to: 113 - symbol: Cd # 116 coordinates: [ 0.750000000000000, 0.839831640000000, 0.245505880000000 ] mass: 112.411000 reduced_to: 113 - symbol: Cd # 117 coordinates: [ 0.250000000000000, 0.339831640000000, 0.745505880000000 ] mass: 112.411000 reduced_to: 113 - symbol: Cd # 118 coordinates: [ 0.750000000000000, 0.339831640000000, 0.745505880000000 ] mass: 112.411000 reduced_to: 113 - symbol: Cd # 119 coordinates: [ 0.250000000000000, 0.839831640000000, 0.745505880000000 ] mass: 112.411000 reduced_to: 113 - symbol: Cd # 120 coordinates: [ 0.750000000000000, 0.839831640000000, 0.745505880000000 ] mass: 112.411000 reduced_to: 113 - symbol: Cd # 121 coordinates: [ 0.000000000000000, 0.160168360000000, 0.495505880000000 ] mass: 112.411000 reduced_to: 121 - symbol: Cd # 122 coordinates: [ 0.500000000000000, 0.160168360000000, 0.495505880000000 ] mass: 112.411000 reduced_to: 121 - symbol: Cd # 123 coordinates: [ 0.000000000000000, 0.660168360000000, 0.495505880000000 ] mass: 112.411000 reduced_to: 121 - symbol: Cd # 124 coordinates: [ 0.500000000000000, 0.660168360000000, 0.495505880000000 ] mass: 112.411000 reduced_to: 121 - symbol: Cd # 125 coordinates: [ 0.000000000000000, 0.160168360000000, 0.995505880000000 ] mass: 112.411000 reduced_to: 121 - symbol: Cd # 126 coordinates: [ 0.500000000000000, 0.160168360000000, 0.995505880000000 ] mass: 112.411000 reduced_to: 121 - symbol: Cd # 127 coordinates: [ 0.000000000000000, 0.660168360000000, 0.995505880000000 ] mass: 112.411000 reduced_to: 121 - symbol: Cd # 128 coordinates: [ 0.500000000000000, 0.660168360000000, 0.995505880000000 ] mass: 112.411000 reduced_to: 121born_effective_charge:- # 1 (Li) - [ 0.956076650000000, 0.025104020000000, 0.027715280000000 ] - [ 0.010680310000000, 1.128661250000000, 0.055059650000000 ] - [ -0.043367140000000, -0.094344600000000, 1.035983950000000 ]- # 2 (Li) - [ 0.956076650000000, -0.025104020000000, 0.027715280000000 ] - [ -0.010680310000000, 1.128661250000000, -0.055059650000000 ] - [ -0.043367140000000, 0.094344600000000, 1.035983950000000 ]- # 3 (Li) - [ 0.956076650000000, -0.025104020000000, -0.027715280000000 ] - [ -0.010680310000000, 1.128661250000000, 0.055059650000000 ] - [ 0.043367140000000, -0.094344600000000, 1.035983950000000 ]- # 4 (Li) - [ 0.956076650000000, 0.025104020000000, -0.027715280000000 ] - [ 0.010680310000000, 1.128661250000000, -0.055059650000000 ] - [ 0.043367140000000, 0.094344600000000, 1.035983950000000 ]- # 5 (O) - [ -1.447021010000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.908120340000000, 0.217193890000000 ] - [ 0.000000000000000, 0.372904280000000, -2.034859380000000 ]- # 6 (O) - [ -1.430227420000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.624804540000000, -0.146711140000000 ] - [ 0.000000000000000, -0.042557520000000, -2.298779730000000 ]- # 7 (O) - [ -1.447021010000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.908120340000000, -0.217193890000000 ] - [ 0.000000000000000, -0.372904280000000, -2.034859380000000 ]- # 8 (O) - [ -1.430227420000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.624804540000000, 0.146711140000000 ] - [ 0.000000000000000, 0.042557520000000, -2.298779730000000 ]- # 9 (O) - [ -2.377182230000000, -0.223861390000000, 0.193087720000000 ] - [ -0.119434160000000, -1.596402900000000, 0.179173230000000 ] - [ 0.133941090000000, 0.048416540000000, -1.539156340000000 ]- # 10 (O) - [ -2.377182230000000, -0.223861390000000, -0.193087720000000 ] - [ -0.119434160000000, -1.596402900000000, -0.179173230000000 ] - [ -0.133941090000000, -0.048416540000000, -1.539156340000000 ]- # 11 (O) - [ -2.377182230000000, 0.223861390000000, 0.193087720000000 ] - [ 0.119434160000000, -1.596402900000000, -0.179173230000000 ] - [ 0.133941090000000, -0.048416540000000, -1.539156340000000 ]- # 12 (O) - [ -2.377182230000000, 0.223861390000000, -0.193087720000000 ] - [ 0.119434160000000, -1.596402900000000, 0.179173230000000 ] - [ -0.133941090000000, 0.048416540000000, -1.539156340000000 ]- # 13 (Ge) - [ 3.286717400000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.560065070000000, 0.160031760000000 ] - [ 0.000000000000000, -0.410066200000000, 3.004221140000000 ]- # 14 (Ge) - [ 3.286717400000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.560065070000000, -0.160031760000000 ] - [ 0.000000000000000, 0.410066200000000, 3.004221140000000 ]- # 15 (Cd) - [ 2.432742180000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.908343110000000, 0.034662630000000 ] - [ 0.000000000000000, -0.226800710000000, 2.335762770000000 ]- # 16 (Cd) - [ 2.432742180000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.908343110000000, -0.034662630000000 ] - [ 0.000000000000000, 0.226800710000000, 2.335762770000000 ]dielectric_constant: - [ 3.733910810000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.393257350000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.649260730000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0446864500000000, -0.0036664300000000, 0.0015684300000000 ] - [ 0.0007122300000000, -0.0003894900000000, -0.0001932300000000 ] - [ -0.0001064600000000, -0.0004339100000000, -0.0002509500000000 ] - [ 0.0004978000000000, -0.0003524700000000, -0.0001870000000000 ] - [ -0.0001310700000000, -0.0004094100000000, -0.0001954200000000 ] - [ 0.0005080600000000, -0.0003824200000000, -0.0001824900000000 ] - [ 0.0000026700000000, -0.0003488400000000, -0.0002010300000000 ] - [ 0.0003835600000000, -0.0003508300000000, -0.0001859600000000 ] - [ 0.0004860700000000, 0.0002156400000000, -0.0004319300000000 ] - [ 0.0003947000000000, 0.0005970000000000, -0.0001065400000000 ] - [ 0.0004030900000000, 0.0005655500000000, -0.0005101800000000 ] - [ 0.0003363500000000, 0.0000234900000000, 0.0000168800000000 ] - [ 0.0003950000000000, 0.0001516600000000, 0.0002018500000000 ] - [ 0.0004848700000000, 0.0007449800000000, -0.0003535200000000 ] - [ 0.0003359700000000, 0.0006522700000000, 0.0001776600000000 ] - [ 0.0004032200000000, -0.0001597600000000, -0.0004698300000000 ] - [ 0.0029848000000000, -0.0000333400000000, -0.0003323000000000 ] - [ 0.0027697800000000, -0.0007147600000000, 0.0001438100000000 ] - [ -0.0001402200000000, -0.0006517900000000, -0.0002862500000000 ] - [ -0.0002570800000000, -0.0001843600000000, -0.0001561300000000 ] - [ -0.0002583400000000, -0.0003508000000000, -0.0000717200000000 ] - [ -0.0001100800000000, -0.0004412500000000, -0.0004213800000000 ] - [ -0.0001966700000000, -0.0004244100000000, -0.0001772000000000 ] - [ -0.0001972600000000, -0.0002737600000000, -0.0002053200000000 ] - [ -0.0009862400000000, 0.0004632200000000, -0.0003210100000000 ] - [ 0.0001011300000000, 0.0003781300000000, -0.0002054500000000 ] - [ -0.0010645400000000, 0.0000691900000000, -0.0003520900000000 ] - [ 0.0000580500000000, 0.0003955200000000, -0.0002042700000000 ] - [ -0.0009855900000000, 0.0005071100000000, 0.0000400200000000 ] - [ 0.0001007200000000, 0.0003837000000000, -0.0002042900000000 ] - [ -0.0010645000000000, 0.0000585900000000, 0.0000172300000000 ] - [ 0.0000592000000000, 0.0003927100000000, -0.0002147100000000 ] - [ 0.0003493000000000, -0.0005556300000000, -0.0016009800000000 ] - [ -0.0005468500000000, 0.0001309800000000, -0.0003928500000000 ] - [ 0.0003842300000000, 0.0004915200000000, -0.0007172600000000 ] - [ -0.0003778500000000, -0.0001146400000000, -0.0004227600000000 ] - [ 0.0005590400000000, -0.0019835800000000, 0.0019353000000000 ] - [ -0.0004681500000000, 0.0001775600000000, -0.0008430600000000 ] - [ 0.0003620200000000, 0.0003249300000000, -0.0006190200000000 ] - [ -0.0003006200000000, -0.0000685500000000, -0.0007732500000000 ] - [ 0.0003175600000000, -0.0004762500000000, 0.0002587200000000 ] - [ -0.0003870300000000, -0.0006142500000000, 0.0005665200000000 ] - [ 0.0001952300000000, -0.0006072800000000, 0.0003187900000000 ] - [ -0.0002006700000000, -0.0007079100000000, 0.0004281800000000 ] - [ 0.0150577600000000, 0.0023300100000000, -0.0032769200000000 ] - [ -0.0011187700000000, -0.0006593500000000, 0.0001075800000000 ] - [ 0.0005072900000000, -0.0006165800000000, 0.0004294200000000 ] - [ -0.0004034500000000, -0.0007144600000000, 0.0002194300000000 ] - [ 0.0005356200000000, -0.0002182500000000, -0.0006492200000000 ] - [ -0.0004262700000000, -0.0001173500000000, -0.0006133600000000 ] - [ 0.0002063000000000, -0.0000083100000000, -0.0004869800000000 ] - [ -0.0001903200000000, 0.0000422800000000, -0.0005764800000000 ] - [ 0.0103663100000000, -0.0018026600000000, 0.0003061900000000 ] - [ -0.0011358600000000, -0.0002409300000000, -0.0006682000000000 ] - [ 0.0003424700000000, -0.0001694000000000, -0.0008692600000000 ] - [ -0.0003745800000000, 0.0002064700000000, -0.0005851900000000 ] - [ 0.0005250400000000, 0.0019287400000000, 0.0021383200000000 ] - [ -0.0004722300000000, 0.0005074700000000, 0.0002027700000000 ] - [ 0.0002018600000000, -0.0004297500000000, 0.0009526600000000 ] - [ -0.0004179200000000, 0.0008674400000000, 0.0001432600000000 ] - [ 0.0004506500000000, 0.0012837400000000, -0.0007617300000000 ] - [ -0.0004321300000000, 0.0004983400000000, 0.0005097400000000 ] - [ 0.0003027200000000, 0.0006228300000000, 0.0000383300000000 ] - [ -0.0003165100000000, 0.0008387500000000, 0.0004600300000000 ] - [ 0.0007950100000000, -0.0003831500000000, 0.0000632900000000 ] - [ -0.0007574500000000, -0.0004344700000000, 0.0001487100000000 ] - [ 0.0003628200000000, -0.0000637000000000, -0.0000133200000000 ] - [ -0.0006237000000000, -0.0003816500000000, 0.0001151200000000 ] - [ 0.0029996900000000, 0.0009487800000000, -0.0001463400000000 ] - [ -0.0011733700000000, -0.0004955000000000, 0.0001454800000000 ] - [ 0.0063461400000000, 0.0011852000000000, -0.0000299000000000 ] - [ -0.0011038300000000, -0.0004016700000000, 0.0001128100000000 ] - [ 0.0067507100000000, 0.0007038900000000, 0.0011697600000000 ] - [ -0.0008150200000000, 0.0002928700000000, 0.0000234100000000 ] - [ 0.0008987500000000, 0.0004136300000000, 0.0002115300000000 ] - [ -0.0003221800000000, 0.0002925500000000, 0.0000463500000000 ] - [ 0.0033233000000000, 0.0008130400000000, 0.0014230200000000 ] - [ -0.0007811100000000, 0.0002710500000000, -0.0000523500000000 ] - [ 0.0007536400000000, 0.0003509800000000, 0.0000189300000000 ] - [ -0.0002917200000000, 0.0002839200000000, 0.0000112200000000 ] - [ -0.0013577800000000, 0.0003939800000000, 0.0010100400000000 ] - [ -0.0009026900000000, 0.0003106400000000, -0.0014093700000000 ] - [ -0.0005080900000000, 0.0004704800000000, 0.0002658100000000 ] - [ -0.0000827500000000, 0.0002442300000000, -0.0000116200000000 ] - [ -0.0011292900000000, 0.0001699400000000, -0.0005691400000000 ] - [ -0.0013641400000000, 0.0010757000000000, 0.0021095400000000 ] - [ -0.0003545600000000, 0.0004948100000000, -0.0000684400000000 ] - [ -0.0001018300000000, 0.0001484700000000, 0.0000888000000000 ] - [ 0.0001862600000000, -0.0003014800000000, 0.0000861400000000 ] - [ -0.0002190300000000, -0.0005140800000000, 0.0001274100000000 ] - [ 0.0002996400000000, -0.0004646400000000, 0.0001628800000000 ] - [ -0.0000166300000000, -0.0000619100000000, 0.0000396500000000 ] - [ -0.0011786300000000, 0.0019331600000000, -0.0000834800000000 ] - [ -0.0009479500000000, -0.0011461300000000, 0.0000095800000000 ] - [ -0.0005310100000000, -0.0020173300000000, -0.0001589300000000 ] - [ -0.0009502300000000, 0.0006592300000000, -0.0000573100000000 ] - [ 0.0003198400000000, 0.0003076900000000, 0.0047152000000000 ] - [ 0.0015206500000000, -0.0003378500000000, -0.0006458200000000 ] - [ -0.0006395800000000, -0.0005623800000000, -0.0002731400000000 ] - [ 0.0006308900000000, 0.0000054000000000, -0.0003718600000000 ] - [ -0.0006737000000000, 0.0002538800000000, -0.0100347300000000 ] - [ 0.0015362400000000, -0.0002263000000000, 0.0002832400000000 ] - [ -0.0005893300000000, -0.0002336600000000, -0.0002011400000000 ] - [ 0.0005653800000000, -0.0000527000000000, 0.0000293600000000 ] - [ -0.0010974400000000, -0.0084352200000000, -0.0019122900000000 ] - [ 0.0015302000000000, 0.0005899600000000, -0.0000176400000000 ] - [ 0.0004802100000000, 0.0060759900000000, 0.0006053700000000 ] - [ 0.0014419200000000, -0.0003075100000000, 0.0000934600000000 ] - [ -0.0007223500000000, 0.0000530600000000, 0.0003830700000000 ] - [ 0.0007226300000000, 0.0003569500000000, -0.0004201700000000 ] - [ -0.0006273700000000, -0.0000531800000000, -0.0000903700000000 ] - [ 0.0005675200000000, 0.0000310400000000, -0.0003510000000000 ] - [ -0.0002964200000000, 0.0003220100000000, -0.0039080400000000 ] - [ 0.0010788300000000, 0.0006486500000000, 0.0009041800000000 ] - [ -0.0003303200000000, 0.0009288900000000, 0.0004346800000000 ] - [ 0.0003238800000000, 0.0004654400000000, 0.0007677200000000 ] - [ -0.0004627500000000, 0.0004239100000000, 0.0066868600000000 ] - [ 0.0013934600000000, 0.0006619800000000, 0.0004407800000000 ] - [ -0.0003233900000000, 0.0006138000000000, 0.0010323800000000 ] - [ 0.0003402300000000, 0.0004986600000000, 0.0005894800000000 ] - [ -0.0005673600000000, 0.0049757400000000, 0.0015526800000000 ] - [ 0.0014031200000000, -0.0007761400000000, 0.0005894600000000 ] - [ -0.0001423200000000, -0.0046615700000000, 0.0003907100000000 ] - [ 0.0010545000000000, -0.0003461400000000, 0.0006122100000000 ] - [ -0.0003921000000000, -0.0001682800000000, 0.0001136100000000 ] - [ 0.0003984700000000, -0.0007475600000000, 0.0008217500000000 ] - [ -0.0002892200000000, -0.0007072600000000, 0.0006929400000000 ] - [ 0.0003157600000000, -0.0005647900000000, 0.0007933500000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0453777700000000, 0.0038682600000000, -0.0026430900000000 ] - [ -0.0002888600000000, -0.0003645400000000, -0.0001988400000000 ] - [ 0.0005339500000000, -0.0003220500000000, -0.0001412200000000 ] - [ -0.0000737900000000, -0.0004025200000000, -0.0002048900000000 ] - [ 0.0005550000000000, -0.0003435500000000, -0.0001959500000000 ] - [ -0.0000824400000000, -0.0003689600000000, -0.0002115300000000 ] - [ 0.0004232200000000, -0.0004042200000000, -0.0001914000000000 ] - [ 0.0000407500000000, -0.0004039000000000, -0.0002054700000000 ] - [ -0.0000640500000000, 0.0005394100000000, 0.0000400600000000 ] - [ 0.0000308800000000, 0.0001581000000000, -0.0002859800000000 ] - [ 0.0000225400000000, 0.0001911100000000, 0.0001136500000000 ] - [ 0.0000892200000000, 0.0007326200000000, -0.0004130800000000 ] - [ 0.0000294700000000, 0.0006053500000000, -0.0005952800000000 ] - [ -0.0000627500000000, 0.0000087100000000, -0.0000386000000000 ] - [ 0.0000877800000000, 0.0001031600000000, -0.0005663100000000 ] - [ 0.0000214500000000, 0.0009146500000000, 0.0000804300000000 ] - [ -0.0033787600000000, -0.0007278100000000, -0.0000543400000000 ] - [ -0.0032378400000000, -0.0000459600000000, -0.0005279400000000 ] - [ -0.0002946700000000, -0.0001014100000000, -0.0001024300000000 ] - [ -0.0001728700000000, -0.0005666900000000, -0.0002334900000000 ] - [ -0.0001776500000000, -0.0004008100000000, -0.0003188400000000 ] - [ -0.0003208900000000, -0.0003121800000000, 0.0000309600000000 ] - [ -0.0002340600000000, -0.0003283600000000, -0.0002112200000000 ] - [ -0.0002349500000000, -0.0004798500000000, -0.0001840000000000 ] - [ 0.0005528700000000, 0.0002956300000000, -0.0000672200000000 ] - [ -0.0005323300000000, 0.0003774700000000, -0.0001835400000000 ] - [ 0.0006308400000000, 0.0006747100000000, -0.0000263900000000 ] - [ -0.0004913600000000, 0.0003589500000000, -0.0001864400000000 ] - [ 0.0005553100000000, 0.0002483600000000, -0.0004289700000000 ] - [ -0.0005316600000000, 0.0003731400000000, -0.0001842600000000 ] - [ 0.0006340300000000, 0.0006905300000000, -0.0004184000000000 ] - [ -0.0004898500000000, 0.0003618100000000, -0.0001731000000000 ] - [ -0.0003600200000000, 0.0005682100000000, 0.0004140100000000 ] - [ 0.0005473000000000, -0.0001038800000000, -0.0007986300000000 ] - [ -0.0003900200000000, -0.0004679700000000, -0.0004742400000000 ] - [ 0.0003777200000000, 0.0001385300000000, -0.0007662800000000 ] - [ -0.0005524100000000, 0.0020079400000000, -0.0031336100000000 ] - [ 0.0004673000000000, -0.0001574700000000, -0.0003470100000000 ] - [ -0.0003653700000000, -0.0002970600000000, -0.0005715000000000 ] - [ 0.0003023200000000, 0.0000905600000000, -0.0004198100000000 ] - [ -0.0003286400000000, -0.0008871200000000, 0.0004205800000000 ] - [ 0.0003881700000000, -0.0007462500000000, 0.0001306000000000 ] - [ -0.0001964800000000, -0.0007544300000000, 0.0003757200000000 ] - [ 0.0002026300000000, -0.0006549100000000, 0.0002695000000000 ] - [ -0.0159363000000000, -0.0041028000000000, 0.0044658600000000 ] - [ 0.0011170100000000, -0.0006985200000000, 0.0005845300000000 ] - [ -0.0005097300000000, -0.0007441600000000, 0.0002677700000000 ] - [ 0.0004056600000000, -0.0006499300000000, 0.0004736400000000 ] - [ -0.0005332500000000, 0.0001925000000000, -0.0005450300000000 ] - [ 0.0004281300000000, 0.0000936200000000, -0.0005767000000000 ] - [ -0.0002025100000000, -0.0000155600000000, -0.0007039800000000 ] - [ 0.0001905800000000, -0.0000652000000000, -0.0006142300000000 ] - [ -0.0097465500000000, 0.0013181400000000, -0.0013500500000000 ] - [ 0.0011366300000000, 0.0002174300000000, -0.0005255300000000 ] - [ -0.0003299100000000, 0.0001587700000000, -0.0003246400000000 ] - [ 0.0003760800000000, -0.0002339400000000, -0.0006072200000000 ] - [ -0.0005194600000000, -0.0005663100000000, -0.0014375900000000 ] - [ 0.0004744500000000, 0.0008548000000000, 0.0004936000000000 ] - [ -0.0001849200000000, 0.0017842500000000, -0.0002649000000000 ] - [ 0.0004222600000000, 0.0004911500000000, 0.0005516800000000 ] - [ -0.0004490200000000, 0.0000763700000000, 0.0014526800000000 ] - [ 0.0004328900000000, 0.0008625000000000, 0.0001861100000000 ] - [ -0.0002970000000000, 0.0007375300000000, 0.0006589800000000 ] - [ 0.0003165300000000, 0.0005211900000000, 0.0002330200000000 ] - [ -0.0011434900000000, -0.0003247900000000, 0.0000858900000000 ] - [ 0.0004068500000000, -0.0002746800000000, 0.0000020000000000 ] - [ -0.0007117900000000, -0.0006419100000000, 0.0001603700000000 ] - [ 0.0002713100000000, -0.0003275000000000, 0.0000393600000000 ] - [ -0.0033451000000000, -0.0016484800000000, 0.0003001200000000 ] - [ 0.0008247000000000, -0.0002116000000000, 0.0000034900000000 ] - [ -0.0067153600000000, -0.0019504500000000, 0.0001744500000000 ] - [ 0.0007570000000000, -0.0003033500000000, 0.0000401800000000 ] - [ -0.0063894400000000, -0.0000055500000000, -0.0009525800000000 ] - [ 0.0011650000000000, 0.0004131700000000, 0.0001241900000000 ] - [ -0.0005447600000000, 0.0002923000000000, -0.0000587100000000 ] - [ 0.0006746100000000, 0.0004108500000000, 0.0001048000000000 ] - [ -0.0029751200000000, -0.0001119600000000, -0.0012653900000000 ] - [ 0.0011360100000000, 0.0004409700000000, 0.0002043800000000 ] - [ -0.0004026300000000, 0.0003596300000000, 0.0001314200000000 ] - [ 0.0006451600000000, 0.0004207500000000, 0.0001401500000000 ] - [ 0.0010002100000000, 0.0003212100000000, -0.0008495900000000 ] - [ 0.0005517800000000, 0.0004066100000000, 0.0015804400000000 ] - [ 0.0001592900000000, 0.0002359100000000, -0.0001151600000000 ] - [ -0.0002712100000000, 0.0004647000000000, 0.0001635800000000 ] - [ 0.0007750400000000, 0.0005434600000000, 0.0007200500000000 ] - [ 0.0010115800000000, -0.0003622700000000, -0.0019548300000000 ] - [ 0.0000058300000000, 0.0002130900000000, 0.0002194400000000 ] - [ -0.0002475800000000, 0.0005560200000000, 0.0000611300000000 ] - [ 0.0001671600000000, -0.0004066800000000, 0.0000639400000000 ] - [ 0.0005697100000000, -0.0001955100000000, 0.0000256300000000 ] - [ 0.0000549600000000, -0.0002404500000000, -0.0000093900000000 ] - [ 0.0003666400000000, -0.0006457200000000, 0.0001142800000000 ] - [ 0.0015346200000000, -0.0026483700000000, 0.0002387600000000 ] - [ 0.0013005700000000, 0.0004354600000000, 0.0001427900000000 ] - [ 0.0008832100000000, 0.0012830000000000, 0.0003108700000000 ] - [ 0.0013084500000000, -0.0013739000000000, 0.0002093700000000 ] - [ -0.0002661000000000, -0.0005654500000000, -0.0052308200000000 ] - [ -0.0015123400000000, 0.0000832200000000, 0.0001645600000000 ] - [ 0.0006422400000000, 0.0003031100000000, -0.0002007500000000 ] - [ -0.0006295500000000, -0.0002565600000000, -0.0001016500000000 ] - [ 0.0006682100000000, -0.0005112500000000, 0.0095556800000000 ] - [ -0.0015325400000000, -0.0000296000000000, -0.0007526100000000 ] - [ 0.0005934700000000, -0.0000221600000000, -0.0002837100000000 ] - [ -0.0005646800000000, -0.0001994700000000, -0.0005104100000000 ] - [ 0.0011084400000000, 0.0086857700000000, 0.0014327600000000 ] - [ -0.0015276000000000, -0.0003402300000000, -0.0004584900000000 ] - [ -0.0005333300000000, -0.0057828900000000, -0.0010737200000000 ] - [ -0.0014452600000000, 0.0005617500000000, -0.0005724400000000 ] - [ 0.0007219500000000, 0.0001975800000000, -0.0008609400000000 ] - [ -0.0007187700000000, -0.0001063100000000, -0.0000590100000000 ] - [ 0.0006263200000000, 0.0003041000000000, -0.0003862400000000 ] - [ -0.0005641800000000, 0.0002255900000000, -0.0001172700000000 ] - [ 0.0002741100000000, 0.0008044700000000, 0.0053380100000000 ] - [ -0.0010806800000000, 0.0004795900000000, 0.0005459100000000 ] - [ 0.0003306000000000, 0.0002022900000000, 0.0010175900000000 ] - [ -0.0003215700000000, 0.0006668200000000, 0.0006835800000000 ] - [ 0.0004503400000000, 0.0007035800000000, -0.0052182600000000 ] - [ -0.0013889900000000, 0.0004688000000000, 0.0010112200000000 ] - [ 0.0003225100000000, 0.0005155600000000, 0.0004168100000000 ] - [ -0.0003382500000000, 0.0006337800000000, 0.0008638500000000 ] - [ 0.0005759400000000, -0.0061186700000000, -0.0001025700000000 ] - [ -0.0014053800000000, -0.0003568700000000, 0.0008637100000000 ] - [ 0.0001675500000000, 0.0035521700000000, 0.0010630100000000 ] - [ -0.0010495200000000, -0.0007820200000000, 0.0008383700000000 ] - [ 0.0003943200000000, -0.0009601900000000, 0.0013399600000000 ] - [ -0.0003979700000000, -0.0003848300000000, 0.0006302800000000 ] - [ 0.0002927600000000, -0.0004259300000000, 0.0007589400000000 ] - [ -0.0003156700000000, -0.0005668200000000, 0.0006590500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0037477500000000, -0.0512398500000000, -0.0025189300000000 ] - [ 0.0001973300000000, -0.0006741500000000, -0.0001697200000000 ] - [ 0.0001543700000000, 0.0010605500000000, -0.0001200300000000 ] - [ 0.0002350200000000, -0.0001400300000000, -0.0001896400000000 ] - [ 0.0001766300000000, -0.0006609300000000, -0.0003502600000000 ] - [ 0.0002050700000000, -0.0005171300000000, -0.0002417900000000 ] - [ 0.0002397000000000, -0.0000285500000000, -0.0001666100000000 ] - [ 0.0002389200000000, -0.0002364700000000, -0.0001863600000000 ] - [ -0.0001563700000000, 0.0007746700000000, -0.0000305300000000 ] - [ 0.0004365600000000, 0.0007661900000000, -0.0001378500000000 ] - [ 0.0007511600000000, -0.0001263400000000, -0.0004872000000000 ] - [ -0.0000649400000000, -0.0000182200000000, -0.0003648800000000 ] - [ -0.0000100300000000, 0.0007699200000000, -0.0004680300000000 ] - [ 0.0003735600000000, 0.0007758900000000, -0.0003228600000000 ] - [ 0.0005671300000000, -0.0000151300000000, 0.0003160200000000 ] - [ 0.0000255500000000, -0.0001240200000000, 0.0000805900000000 ] - [ -0.0005685800000000, -0.0022126700000000, 0.0000008500000000 ] - [ 0.0001232100000000, -0.0014350200000000, 0.0001581400000000 ] - [ 0.0000605000000000, 0.0003962900000000, -0.0001757200000000 ] - [ -0.0004061800000000, 0.0001390400000000, -0.0002147000000000 ] - [ -0.0002408200000000, -0.0006562700000000, -0.0002953900000000 ] - [ -0.0001519500000000, -0.0005658700000000, -0.0003690400000000 ] - [ -0.0001687700000000, -0.0000996500000000, -0.0001798600000000 ] - [ -0.0003179500000000, -0.0001524800000000, -0.0001645300000000 ] - [ -0.0000870400000000, 0.0010690700000000, 0.0001717500000000 ] - [ -0.0002093400000000, 0.0005517100000000, -0.0001823300000000 ] - [ -0.0005325700000000, 0.0002481100000000, -0.0026477900000000 ] - [ -0.0001977000000000, 0.0001863300000000, -0.0002329500000000 ] - [ -0.0001302700000000, 0.0010681100000000, -0.0008321900000000 ] - [ -0.0002133800000000, 0.0005530600000000, -0.0002379400000000 ] - [ -0.0005181900000000, 0.0002521400000000, 0.0027474800000000 ] - [ -0.0001976800000000, 0.0001885900000000, -0.0000997600000000 ] - [ -0.0004673200000000, 0.0003307500000000, -0.0018897100000000 ] - [ 0.0002021900000000, 0.0000872800000000, -0.0007744500000000 ] - [ 0.0007154300000000, -0.0010375900000000, 0.0008740000000000 ] - [ -0.0003149000000000, -0.0001568000000000, -0.0003252100000000 ] - [ -0.0002288300000000, -0.0005319300000000, 0.0004445300000000 ] - [ 0.0001711300000000, -0.0000381700000000, -0.0004450800000000 ] - [ 0.0006082200000000, -0.0003320500000000, -0.0016471900000000 ] - [ -0.0001919300000000, -0.0000487600000000, -0.0008115500000000 ] - [ 0.0002091400000000, -0.0003203300000000, 0.0005054400000000 ] - [ 0.0000421800000000, -0.0005310000000000, 0.0003469300000000 ] - [ 0.0000386300000000, -0.0011878300000000, 0.0005955900000000 ] - [ -0.0000638800000000, -0.0008676200000000, 0.0004115300000000 ] - [ 0.0037088700000000, 0.0057599600000000, -0.0006982900000000 ] - [ 0.0005046500000000, -0.0002227500000000, 0.0004401800000000 ] - [ 0.0004596500000000, -0.0025399500000000, -0.0003737100000000 ] - [ -0.0001911500000000, -0.0011692400000000, 0.0001996700000000 ] - [ -0.0000014500000000, 0.0001872300000000, -0.0005208100000000 ] - [ -0.0000721200000000, 0.0000215100000000, -0.0005136800000000 ] - [ -0.0000308200000000, -0.0003118200000000, -0.0004660100000000 ] - [ 0.0000550800000000, -0.0000614400000000, -0.0005734900000000 ] - [ -0.0011529400000000, 0.0063518300000000, -0.0006333000000000 ] - [ -0.0003600100000000, 0.0000724700000000, -0.0007045200000000 ] - [ -0.0013587900000000, -0.0032406900000000, -0.0008438600000000 ] - [ 0.0001615000000000, -0.0002739300000000, -0.0006171300000000 ] - [ 0.0006205200000000, -0.0002917500000000, -0.0010265300000000 ] - [ -0.0001377700000000, 0.0005865700000000, 0.0002167300000000 ] - [ -0.0018655400000000, -0.0008990500000000, 0.0029341900000000 ] - [ 0.0001693300000000, 0.0007179600000000, 0.0005148100000000 ] - [ 0.0001272400000000, 0.0001957900000000, 0.0012443300000000 ] - [ -0.0001104600000000, 0.0005150000000000, 0.0004653200000000 ] - [ -0.0003708400000000, 0.0006934400000000, -0.0007661200000000 ] - [ 0.0000668800000000, 0.0008257500000000, 0.0002572500000000 ] - [ -0.0002140900000000, -0.0007389100000000, 0.0001024400000000 ] - [ -0.0002219800000000, -0.0005121200000000, 0.0001112400000000 ] - [ -0.0000448900000000, 0.0001457800000000, 0.0001570700000000 ] - [ -0.0001755500000000, -0.0001969500000000, 0.0000861200000000 ] - [ -0.0001029000000000, -0.0028036200000000, 0.0001953200000000 ] - [ -0.0002611500000000, -0.0005664400000000, 0.0000910000000000 ] - [ 0.0015684700000000, 0.0171013500000000, 0.0051732000000000 ] - [ -0.0000791600000000, -0.0001913700000000, 0.0000439500000000 ] - [ 0.0002160200000000, 0.0062227100000000, -0.0012029200000000 ] - [ 0.0002406900000000, 0.0005984700000000, 0.0000984200000000 ] - [ 0.0002523000000000, -0.0007447300000000, 0.0000662700000000 ] - [ 0.0000818400000000, 0.0001044100000000, 0.0000537600000000 ] - [ 0.0005067700000000, 0.0021242600000000, 0.0006102500000000 ] - [ 0.0002747400000000, 0.0005649400000000, 0.0001535700000000 ] - [ 0.0001229900000000, -0.0004257000000000, -0.0000969900000000 ] - [ 0.0000794500000000, 0.0001384300000000, 0.0000108500000000 ] - [ 0.0001781400000000, 0.0011927200000000, -0.0000757400000000 ] - [ -0.0003569100000000, 0.0011454200000000, 0.0000224900000000 ] - [ -0.0004823200000000, -0.0003223600000000, 0.0000985300000000 ] - [ 0.0001105200000000, -0.0002995000000000, 0.0000320600000000 ] - [ 0.0003788100000000, 0.0009957600000000, 0.0004134300000000 ] - [ -0.0011136400000000, 0.0011133800000000, 0.0012964100000000 ] - [ -0.0003738800000000, -0.0000869900000000, -0.0000174800000000 ] - [ 0.0001723000000000, -0.0001489700000000, -0.0001410500000000 ] - [ 0.0004406200000000, -0.0006484800000000, 0.0001268000000000 ] - [ -0.0000224700000000, -0.0006143000000000, 0.0000705400000000 ] - [ -0.0001547800000000, 0.0000169500000000, 0.0001027400000000 ] - [ 0.0003808300000000, -0.0000478700000000, 0.0001592000000000 ] - [ 0.0014162100000000, -0.0018990100000000, 0.0003061800000000 ] - [ -0.0005707300000000, -0.0008679300000000, 0.0001452900000000 ] - [ -0.0030230600000000, 0.0000759900000000, -0.0001802300000000 ] - [ 0.0013914400000000, 0.0000425100000000, -0.0000133000000000 ] - [ 0.0011267200000000, -0.0016837400000000, 0.0024765100000000 ] - [ -0.0002472300000000, -0.0003959000000000, -0.0001101500000000 ] - [ -0.0002042000000000, 0.0016467500000000, -0.0005790200000000 ] - [ 0.0002788700000000, 0.0002800500000000, -0.0003689500000000 ] - [ 0.0009050200000000, -0.0011193800000000, -0.0051083100000000 ] - [ -0.0004854900000000, -0.0003035400000000, -0.0004815900000000 ] - [ -0.0003232700000000, 0.0010511400000000, 0.0007805100000000 ] - [ 0.0002150200000000, 0.0002004200000000, -0.0000381000000000 ] - [ -0.0046911700000000, 0.0081675200000000, 0.0006473400000000 ] - [ 0.0005406400000000, 0.0002187200000000, 0.0000027900000000 ] - [ 0.0100585800000000, 0.0083705000000000, -0.0020417800000000 ] - [ -0.0007277400000000, 0.0005213500000000, -0.0006072600000000 ] - [ -0.0001242600000000, 0.0002412100000000, -0.0007486200000000 ] - [ 0.0001630100000000, 0.0001956400000000, -0.0003337500000000 ] - [ 0.0000507800000000, -0.0001210300000000, 0.0001285300000000 ] - [ -0.0001120900000000, 0.0000463200000000, -0.0002535900000000 ] - [ -0.0011417300000000, -0.0009889600000000, 0.0032059800000000 ] - [ 0.0001167100000000, 0.0003800100000000, 0.0007989500000000 ] - [ 0.0001027100000000, 0.0021376800000000, 0.0001297700000000 ] - [ -0.0001283900000000, 0.0007553100000000, 0.0006328100000000 ] - [ -0.0008872500000000, -0.0011163800000000, -0.0025850900000000 ] - [ 0.0004527600000000, 0.0005163600000000, 0.0006582800000000 ] - [ 0.0002696800000000, 0.0017276600000000, 0.0016397200000000 ] - [ -0.0001408800000000, 0.0007226000000000, 0.0007931000000000 ] - [ 0.0038334600000000, 0.0042710100000000, 0.0011151400000000 ] - [ -0.0007234000000000, -0.0004484300000000, 0.0009068700000000 ] - [ -0.0065215100000000, 0.0047182100000000, 0.0002219700000000 ] - [ 0.0009330300000000, -0.0002460600000000, 0.0005066900000000 ] - [ 0.0000940300000000, -0.0003191400000000, 0.0005191100000000 ] - [ -0.0001213100000000, -0.0004725000000000, 0.0006819700000000 ] - [ -0.0001662100000000, -0.0009342600000000, 0.0008023700000000 ] - [ 0.0001834200000000, -0.0006667000000000, 0.0007005700000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0037842600000000, 0.0491199500000000, 0.0014335300000000 ] - [ 0.0002248700000000, -0.0000782500000000, -0.0002234000000000 ] - [ 0.0002708600000000, -0.0018154400000000, -0.0002741900000000 ] - [ 0.0001894400000000, -0.0006098700000000, -0.0002027300000000 ] - [ 0.0002445000000000, -0.0000911000000000, -0.0000426100000000 ] - [ 0.0002185900000000, -0.0002347500000000, -0.0001507800000000 ] - [ 0.0001852500000000, -0.0007228400000000, -0.0002264500000000 ] - [ 0.0001859100000000, -0.0005176500000000, -0.0002059500000000 ] - [ 0.0005827500000000, -0.0000165500000000, -0.0003639600000000 ] - [ -0.0000157200000000, -0.0000124800000000, -0.0002563400000000 ] - [ -0.0003228300000000, 0.0008795700000000, 0.0000928300000000 ] - [ 0.0004873100000000, 0.0007688100000000, -0.0000305000000000 ] - [ 0.0004326300000000, -0.0000110100000000, 0.0000742600000000 ] - [ 0.0000526000000000, -0.0000168300000000, -0.0000693700000000 ] - [ -0.0001431900000000, 0.0007703200000000, -0.0007071000000000 ] - [ 0.0003998200000000, 0.0008790500000000, -0.0004704900000000 ] - [ 0.0001263100000000, 0.0014532500000000, -0.0003911500000000 ] - [ -0.0005453200000000, 0.0006782800000000, -0.0005477800000000 ] - [ -0.0004933400000000, -0.0011462300000000, -0.0002133100000000 ] - [ -0.0000268000000000, -0.0008892600000000, -0.0001763900000000 ] - [ -0.0001916500000000, -0.0000969300000000, -0.0000941000000000 ] - [ -0.0002782500000000, -0.0001861100000000, -0.0000215200000000 ] - [ -0.0002631700000000, -0.0006537900000000, -0.0002090700000000 ] - [ -0.0001160900000000, -0.0005994100000000, -0.0002249400000000 ] - [ -0.0003457200000000, -0.0003105800000000, -0.0005659400000000 ] - [ -0.0002217800000000, 0.0002057700000000, -0.0002062800000000 ] - [ 0.0001006700000000, 0.0004947900000000, 0.0022355600000000 ] - [ -0.0002325900000000, 0.0005666000000000, -0.0001564800000000 ] - [ -0.0003010700000000, -0.0003096000000000, 0.0004497400000000 ] - [ -0.0002186300000000, 0.0002053000000000, -0.0001516600000000 ] - [ 0.0000853300000000, 0.0004991300000000, -0.0031278200000000 ] - [ -0.0002331800000000, 0.0005672500000000, -0.0002890400000000 ] - [ 0.0004696800000000, -0.0003204400000000, 0.0007097200000000 ] - [ -0.0002004000000000, -0.0000637500000000, -0.0004161400000000 ] - [ -0.0007109300000000, 0.0010610400000000, -0.0020552600000000 ] - [ 0.0003136900000000, 0.0001812700000000, -0.0008640700000000 ] - [ 0.0002358700000000, 0.0005491900000000, -0.0016302700000000 ] - [ -0.0001714000000000, 0.0000641200000000, -0.0007463500000000 ] - [ -0.0006050500000000, 0.0003654300000000, 0.0004511900000000 ] - [ 0.0001919200000000, 0.0000747500000000, -0.0003812700000000 ] - [ -0.0002124600000000, -0.0010511400000000, 0.0001811800000000 ] - [ -0.0000423400000000, -0.0008300400000000, 0.0003491900000000 ] - [ -0.0000360700000000, -0.0001751800000000, 0.0001047600000000 ] - [ 0.0000652400000000, -0.0004945400000000, 0.0002872800000000 ] - [ -0.0038134900000000, -0.0071212600000000, 0.0014582000000000 ] - [ -0.0004988800000000, -0.0011384400000000, 0.0002599200000000 ] - [ -0.0004568700000000, 0.0011751000000000, 0.0010644200000000 ] - [ 0.0001942300000000, -0.0001934500000000, 0.0004985900000000 ] - [ 0.0000062000000000, -0.0002136600000000, -0.0006753100000000 ] - [ 0.0000709500000000, -0.0000518000000000, -0.0006781900000000 ] - [ 0.0000312200000000, 0.0002848900000000, -0.0007237100000000 ] - [ -0.0000539400000000, 0.0000393800000000, -0.0006159100000000 ] - [ 0.0014147000000000, -0.0065510400000000, -0.0004967600000000 ] - [ 0.0003590700000000, -0.0001000700000000, -0.0004887400000000 ] - [ 0.0013606400000000, 0.0032243200000000, -0.0003551600000000 ] - [ -0.0001568500000000, 0.0002463500000000, -0.0005762000000000 ] - [ -0.0006298100000000, 0.0016480500000000, 0.0017246300000000 ] - [ 0.0001426500000000, 0.0007734000000000, 0.0004801800000000 ] - [ 0.0018514000000000, 0.0022515600000000, -0.0022214700000000 ] - [ -0.0001641100000000, 0.0006461200000000, 0.0001853800000000 ] - [ -0.0001274000000000, 0.0011617000000000, -0.0005487300000000 ] - [ 0.0001109100000000, 0.0008477000000000, 0.0002359000000000 ] - [ 0.0003736700000000, 0.0006705600000000, 0.0014636200000000 ] - [ -0.0000682900000000, 0.0005388400000000, 0.0004394400000000 ] - [ -0.0001381600000000, 0.0000296800000000, 0.0000500900000000 ] - [ -0.0001278900000000, -0.0001935000000000, 0.0000413400000000 ] - [ -0.0003027400000000, -0.0008461600000000, -0.0000081900000000 ] - [ -0.0001771600000000, -0.0005116500000000, 0.0000669000000000 ] - [ -0.0002617000000000, 0.0021022900000000, -0.0000448000000000 ] - [ -0.0000876500000000, -0.0001389900000000, 0.0000570700000000 ] - [ -0.0017057400000000, -0.0165275900000000, -0.0045773600000000 ] - [ -0.0002665100000000, -0.0005134200000000, 0.0001048900000000 ] - [ 0.0001564000000000, -0.0055150900000000, 0.0014408500000000 ] - [ 0.0001115700000000, 0.0001071800000000, 0.0000534300000000 ] - [ 0.0000995600000000, 0.0014494600000000, 0.0000915900000000 ] - [ 0.0002704300000000, 0.0006015200000000, 0.0000974000000000 ] - [ -0.0001545800000000, -0.0014179600000000, -0.0004466700000000 ] - [ 0.0000771800000000, 0.0001439200000000, -0.0000012500000000 ] - [ 0.0002283500000000, 0.0011333900000000, 0.0002441000000000 ] - [ 0.0002714000000000, 0.0005682900000000, 0.0001394600000000 ] - [ -0.0005252900000000, -0.0004821500000000, 0.0002263100000000 ] - [ -0.0000093000000000, -0.0004370900000000, 0.0001288600000000 ] - [ 0.0001289300000000, 0.0010281700000000, 0.0000517600000000 ] - [ -0.0004576300000000, 0.0010085300000000, 0.0001212000000000 ] - [ -0.0007260900000000, -0.0002858800000000, -0.0002601000000000 ] - [ 0.0007579900000000, -0.0004052300000000, -0.0011402500000000 ] - [ 0.0000240600000000, 0.0007953200000000, 0.0001676200000000 ] - [ -0.0005170900000000, 0.0008495400000000, 0.0002867000000000 ] - [ -0.0000882300000000, -0.0000566200000000, 0.0000233900000000 ] - [ 0.0003730600000000, -0.0000889200000000, 0.0000849400000000 ] - [ 0.0005062100000000, -0.0007220100000000, 0.0000472800000000 ] - [ -0.0000275200000000, -0.0006547200000000, -0.0000043900000000 ] - [ -0.0010631300000000, 0.0011794400000000, -0.0001534800000000 ] - [ 0.0009296700000000, 0.0001565000000000, 0.0000003200000000 ] - [ 0.0033598700000000, -0.0007792500000000, 0.0003311700000000 ] - [ -0.0010323700000000, -0.0007446300000000, 0.0001588200000000 ] - [ -0.0010991000000000, 0.0014782700000000, -0.0029482700000000 ] - [ 0.0002484400000000, 0.0001480100000000, -0.0003633200000000 ] - [ 0.0002031400000000, -0.0018870800000000, 0.0000977400000000 ] - [ -0.0002754400000000, -0.0005244300000000, -0.0001030700000000 ] - [ -0.0009008700000000, 0.0008859500000000, 0.0045998200000000 ] - [ 0.0004860700000000, 0.0000547700000000, 0.0000018900000000 ] - [ 0.0003240200000000, -0.0013006500000000, -0.0012478600000000 ] - [ -0.0002122400000000, -0.0004490000000000, -0.0004423800000000 ] - [ 0.0047909200000000, -0.0079424800000000, -0.0011186900000000 ] - [ -0.0005409800000000, 0.0000387600000000, -0.0004814700000000 ] - [ -0.0100014800000000, -0.0080342900000000, 0.0015911800000000 ] - [ 0.0007244600000000, -0.0002706800000000, 0.0001281900000000 ] - [ 0.0001259500000000, 0.0000223200000000, 0.0002729400000000 ] - [ -0.0001609200000000, 0.0000621600000000, -0.0001531500000000 ] - [ -0.0000505600000000, 0.0003677100000000, -0.0006086000000000 ] - [ 0.0001143000000000, 0.0002085600000000, -0.0002140000000000 ] - [ 0.0011265500000000, 0.0021436000000000, -0.0017438500000000 ] - [ -0.0001122300000000, 0.0007543800000000, 0.0006541400000000 ] - [ -0.0000996500000000, -0.0009995800000000, 0.0013193100000000 ] - [ 0.0001281700000000, 0.0003763200000000, 0.0008180700000000 ] - [ 0.0008776800000000, 0.0022601400000000, 0.0040236500000000 ] - [ -0.0004470000000000, 0.0006169200000000, 0.0007930300000000 ] - [ -0.0002678300000000, -0.0005963700000000, -0.0001875700000000 ] - [ 0.0001406800000000, 0.0004087100000000, 0.0006598100000000 ] - [ -0.0038910700000000, -0.0054356100000000, 0.0003414500000000 ] - [ 0.0007218000000000, -0.0006803800000000, 0.0005458200000000 ] - [ 0.0064677200000000, -0.0057950900000000, 0.0012359300000000 ] - [ -0.0009285300000000, -0.0008832100000000, 0.0009446700000000 ] - [ -0.0000919900000000, -0.0008061500000000, 0.0009297600000000 ] - [ 0.0001226600000000, -0.0006567400000000, 0.0007695500000000 ] - [ 0.0001677000000000, -0.0002004400000000, 0.0006491500000000 ] - [ -0.0001817600000000, -0.0004650900000000, 0.0007504800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0025204500000000, -0.0023291100000000, -0.0477373600000000 ] - [ 0.0002138400000000, -0.0003501500000000, -0.0003814800000000 ] - [ 0.0001592300000000, -0.0003003500000000, -0.0004573100000000 ] - [ 0.0002208800000000, -0.0003701200000000, -0.0002714300000000 ] - [ 0.0002131700000000, -0.0005309900000000, 0.0017679000000000 ] - [ 0.0002279600000000, -0.0004221900000000, -0.0000458500000000 ] - [ 0.0002085000000000, -0.0003461600000000, -0.0000059000000000 ] - [ 0.0002232700000000, -0.0003644500000000, -0.0001306400000000 ] - [ 0.0000541700000000, 0.0005034000000000, -0.0001489700000000 ] - [ 0.0006124000000000, 0.0006465800000000, -0.0001445400000000 ] - [ -0.0000628600000000, 0.0001035600000000, -0.0001103100000000 ] - [ 0.0005847100000000, -0.0001315500000000, -0.0000778200000000 ] - [ 0.0003015500000000, 0.0003180200000000, -0.0001459900000000 ] - [ -0.0000206300000000, 0.0002110500000000, -0.0001503400000000 ] - [ 0.0004272600000000, 0.0005453600000000, -0.0000799300000000 ] - [ -0.0000990700000000, 0.0006678500000000, -0.0001126000000000 ] - [ -0.0000809300000000, -0.0001805200000000, -0.0009728600000000 ] - [ -0.0005477600000000, -0.0000262700000000, -0.0014853900000000 ] - [ -0.0001244400000000, -0.0003560400000000, -0.0003719400000000 ] - [ -0.0002571400000000, -0.0003976400000000, -0.0003911600000000 ] - [ -0.0003377600000000, -0.0004772600000000, 0.0002062000000000 ] - [ 0.0000092300000000, -0.0005515200000000, 0.0004195400000000 ] - [ -0.0002320900000000, -0.0003613500000000, -0.0000824500000000 ] - [ -0.0002101800000000, -0.0003437200000000, -0.0000409700000000 ] - [ -0.0004489400000000, 0.0010164900000000, -0.0000591100000000 ] - [ -0.0002063200000000, 0.0004184800000000, -0.0001853500000000 ] - [ -0.0004358000000000, -0.0025506700000000, 0.0016310700000000 ] - [ -0.0001961800000000, 0.0002838600000000, -0.0001827600000000 ] - [ -0.0000909600000000, 0.0000074600000000, -0.0000620000000000 ] - [ -0.0002057800000000, 0.0003657200000000, -0.0001855600000000 ] - [ -0.0000542100000000, 0.0028367100000000, 0.0016450500000000 ] - [ -0.0002064200000000, 0.0004159600000000, -0.0001827700000000 ] - [ -0.0016542100000000, -0.0026653800000000, -0.0000708100000000 ] - [ 0.0001272900000000, -0.0002247100000000, -0.0004608500000000 ] - [ -0.0002458100000000, 0.0009734800000000, -0.0001646900000000 ] - [ 0.0000559000000000, 0.0000418000000000, -0.0004678200000000 ] - [ 0.0005094900000000, 0.0012191100000000, -0.0017990900000000 ] - [ -0.0001036100000000, 0.0001428100000000, -0.0007266000000000 ] - [ 0.0002361900000000, -0.0004934500000000, -0.0010532200000000 ] - [ -0.0000681800000000, -0.0000042100000000, -0.0007208800000000 ] - [ -0.0014077700000000, -0.0016248400000000, -0.0032268700000000 ] - [ 0.0001230800000000, -0.0007581700000000, 0.0000494900000000 ] - [ -0.0000224000000000, -0.0006524100000000, 0.0000692800000000 ] - [ 0.0000202700000000, -0.0006933000000000, 0.0002807500000000 ] - [ -0.0035900200000000, -0.0015991200000000, 0.0081355200000000 ] - [ -0.0001912000000000, -0.0006420100000000, 0.0005273200000000 ] - [ 0.0002210200000000, -0.0009216500000000, 0.0004090400000000 ] - [ -0.0000947400000000, -0.0007027700000000, 0.0003802700000000 ] - [ 0.0003682200000000, -0.0006869200000000, -0.0027596100000000 ] - [ -0.0001776200000000, -0.0001547000000000, -0.0010892600000000 ] - [ 0.0000948000000000, 0.0000182600000000, -0.0009323100000000 ] - [ -0.0000416400000000, -0.0000088200000000, -0.0007354900000000 ] - [ 0.0010280100000000, 0.0002117500000000, 0.0052094200000000 ] - [ 0.0003714600000000, 0.0000440500000000, -0.0000840800000000 ] - [ -0.0006689900000000, -0.0008739900000000, -0.0002207000000000 ] - [ 0.0000655000000000, -0.0000334900000000, -0.0004340800000000 ] - [ 0.0008775900000000, -0.0002054900000000, 0.0021385600000000 ] - [ -0.0002039100000000, 0.0004614000000000, 0.0007650400000000 ] - [ 0.0003619500000000, 0.0021744200000000, 0.0016622200000000 ] - [ -0.0001034100000000, 0.0008495600000000, 0.0006259300000000 ] - [ -0.0002048400000000, 0.0010870100000000, -0.0005926500000000 ] - [ 0.0001116800000000, 0.0007555800000000, 0.0000241700000000 ] - [ -0.0002031200000000, 0.0002853600000000, -0.0004325800000000 ] - [ 0.0000659400000000, 0.0006139100000000, 0.0001335900000000 ] - [ -0.0000272600000000, -0.0006338900000000, -0.0004491100000000 ] - [ -0.0002206800000000, -0.0003975200000000, -0.0000330400000000 ] - [ -0.0000016000000000, 0.0002324500000000, -0.0012612800000000 ] - [ -0.0002200100000000, -0.0002964400000000, -0.0000456700000000 ] - [ -0.0002997500000000, 0.0003833700000000, 0.0007665500000000 ] - [ -0.0001409900000000, -0.0003430000000000, 0.0002071100000000 ] - [ 0.0003188100000000, 0.0049589300000000, 0.0074269900000000 ] - [ -0.0001505700000000, -0.0003762800000000, 0.0002051000000000 ] - [ 0.0017373200000000, -0.0008894000000000, 0.0166171100000000 ] - [ 0.0002628800000000, 0.0003210400000000, 0.0001343700000000 ] - [ 0.0002681500000000, 0.0003181200000000, 0.0002386600000000 ] - [ 0.0001719300000000, 0.0003367200000000, 0.0001150400000000 ] - [ 0.0009814100000000, 0.0011884700000000, -0.0039625200000000 ] - [ 0.0000846900000000, 0.0003709000000000, -0.0000050500000000 ] - [ 0.0001341600000000, 0.0003347000000000, -0.0000909000000000 ] - [ 0.0001366000000000, 0.0003423400000000, 0.0000231400000000 ] - [ 0.0009705600000000, 0.0001176900000000, 0.0002301400000000 ] - [ -0.0032738600000000, 0.0002508200000000, 0.0003032400000000 ] - [ -0.0000372700000000, 0.0003430500000000, 0.0001622500000000 ] - [ -0.0003845200000000, 0.0003413900000000, 0.0001803600000000 ] - [ -0.0008146500000000, 0.0003996400000000, -0.0001316900000000 ] - [ 0.0010637700000000, 0.0002647500000000, -0.0007033400000000 ] - [ -0.0002903800000000, 0.0003553500000000, -0.0000228000000000 ] - [ 0.0000192200000000, 0.0003196300000000, -0.0000576000000000 ] - [ 0.0002540900000000, -0.0005141900000000, -0.0001846900000000 ] - [ -0.0000268600000000, -0.0005090900000000, -0.0002823800000000 ] - [ 0.0003121000000000, -0.0001802400000000, -0.0002817200000000 ] - [ 0.0000391200000000, -0.0001456800000000, -0.0003146900000000 ] - [ -0.0001154500000000, 0.0001355600000000, 0.0002895500000000 ] - [ 0.0005912300000000, -0.0000139200000000, 0.0004309100000000 ] - [ -0.0006926800000000, -0.0005594100000000, 0.0006368000000000 ] - [ 0.0005580000000000, -0.0006379200000000, 0.0005487300000000 ] - [ 0.0095426000000000, 0.0044234600000000, 0.0060725400000000 ] - [ -0.0006553000000000, 0.0004088700000000, 0.0001316300000000 ] - [ -0.0000098600000000, -0.0004611200000000, -0.0000839900000000 ] - [ -0.0000762300000000, -0.0000884500000000, -0.0001887100000000 ] - [ -0.0072735200000000, -0.0036632700000000, 0.0064212600000000 ] - [ 0.0004764200000000, -0.0004095400000000, -0.0003294400000000 ] - [ -0.0001207900000000, 0.0001541700000000, -0.0000941300000000 ] - [ 0.0001261000000000, -0.0001409800000000, -0.0001881300000000 ] - [ -0.0004707500000000, -0.0014567900000000, -0.0030547200000000 ] - [ -0.0002959500000000, 0.0000308100000000, -0.0009682800000000 ] - [ 0.0015735300000000, -0.0003648100000000, -0.0036539400000000 ] - [ -0.0001620100000000, 0.0001755300000000, -0.0007501900000000 ] - [ -0.0001119600000000, 0.0009464600000000, 0.0011146000000000 ] - [ 0.0001587400000000, 0.0002906000000000, 0.0002704600000000 ] - [ -0.0003306300000000, -0.0000014600000000, 0.0008271400000000 ] - [ 0.0001162400000000, 0.0000803200000000, 0.0001293300000000 ] - [ -0.0063952600000000, 0.0037323300000000, 0.0048963700000000 ] - [ 0.0008524400000000, 0.0010440100000000, 0.0009054700000000 ] - [ -0.0000880000000000, 0.0003585900000000, 0.0007625900000000 ] - [ 0.0001278900000000, 0.0005931700000000, 0.0007407300000000 ] - [ 0.0047212700000000, -0.0019393900000000, 0.0051242400000000 ] - [ -0.0005575900000000, 0.0003214100000000, 0.0008024000000000 ] - [ 0.0001207100000000, 0.0007032600000000, 0.0009864100000000 ] - [ -0.0001047700000000, 0.0005261300000000, 0.0007474700000000 ] - [ 0.0001160900000000, -0.0016130700000000, -0.0023025100000000 ] - [ 0.0001841800000000, -0.0005757200000000, 0.0004011900000000 ] - [ -0.0007106300000000, -0.0005148800000000, -0.0014616300000000 ] - [ 0.0001933400000000, -0.0005046100000000, 0.0004457100000000 ] - [ -0.0000062200000000, 0.0000193500000000, 0.0022083800000000 ] - [ -0.0000340800000000, -0.0005111900000000, 0.0009917400000000 ] - [ 0.0000975800000000, -0.0006643100000000, 0.0015733500000000 ] - [ -0.0000271600000000, -0.0006002700000000, 0.0009271200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0016776300000000, 0.0016140000000000, 0.0492149100000000 ] - [ 0.0002125600000000, -0.0004032200000000, -0.0000123700000000 ] - [ 0.0002698700000000, -0.0004523700000000, 0.0000638000000000 ] - [ 0.0002038100000000, -0.0003821900000000, -0.0001249200000000 ] - [ 0.0002143600000000, -0.0002224600000000, -0.0021534600000000 ] - [ 0.0001993800000000, -0.0003310600000000, -0.0003501900000000 ] - [ 0.0002178500000000, -0.0004047400000000, -0.0003915400000000 ] - [ 0.0002028300000000, -0.0003858100000000, -0.0002654800000000 ] - [ 0.0003726000000000, 0.0002494200000000, -0.0002464900000000 ] - [ -0.0001864900000000, 0.0001063300000000, -0.0002517200000000 ] - [ 0.0004894600000000, 0.0006537700000000, -0.0002833200000000 ] - [ -0.0001583200000000, 0.0008911800000000, -0.0003181300000000 ] - [ 0.0001247700000000, 0.0004363700000000, -0.0002544100000000 ] - [ 0.0004477600000000, 0.0005440500000000, -0.0002475100000000 ] - [ -0.0000011400000000, 0.0002109000000000, -0.0003196200000000 ] - [ 0.0005251800000000, 0.0000865900000000, -0.0002852400000000 ] - [ -0.0003639600000000, -0.0005734800000000, 0.0005834900000000 ] - [ 0.0001207900000000, -0.0007290100000000, 0.0010993400000000 ] - [ -0.0003099600000000, -0.0003946800000000, -0.0000198700000000 ] - [ -0.0001777400000000, -0.0003564600000000, 0.0000000500000000 ] - [ -0.0000925100000000, -0.0002759300000000, -0.0005981100000000 ] - [ -0.0004457900000000, -0.0002024600000000, -0.0008137500000000 ] - [ -0.0002013600000000, -0.0003899400000000, -0.0003107000000000 ] - [ -0.0002261100000000, -0.0004066800000000, -0.0003537000000000 ] - [ 0.0000170300000000, -0.0002658800000000, -0.0003330600000000 ] - [ -0.0002273300000000, 0.0003340000000000, -0.0002070500000000 ] - [ -0.0000007600000000, 0.0033247100000000, -0.0020412800000000 ] - [ -0.0002385100000000, 0.0004722200000000, -0.0002091900000000 ] - [ -0.0003435200000000, 0.0007439000000000, -0.0003341500000000 ] - [ -0.0002279700000000, 0.0003889500000000, -0.0002082100000000 ] - [ -0.0003787100000000, -0.0020463600000000, -0.0020278600000000 ] - [ -0.0002256400000000, 0.0003382100000000, -0.0002102000000000 ] - [ 0.0016668000000000, 0.0027102300000000, -0.0011255000000000 ] - [ -0.0001267000000000, 0.0002529700000000, -0.0007354400000000 ] - [ 0.0002477800000000, -0.0009485900000000, -0.0010345100000000 ] - [ -0.0000565800000000, -0.0000186500000000, -0.0007268700000000 ] - [ -0.0005003000000000, -0.0011920700000000, 0.0006183900000000 ] - [ 0.0001034100000000, -0.0001165600000000, -0.0004640000000000 ] - [ -0.0002338600000000, 0.0005124900000000, -0.0001348000000000 ] - [ 0.0000685200000000, 0.0000316200000000, -0.0004706800000000 ] - [ 0.0014019200000000, 0.0002611600000000, 0.0039089600000000 ] - [ -0.0001247100000000, -0.0006050500000000, 0.0006474300000000 ] - [ 0.0000213100000000, -0.0007101900000000, 0.0006241900000000 ] - [ -0.0000170900000000, -0.0006685000000000, 0.0004116400000000 ] - [ 0.0034203200000000, 0.0001655600000000, -0.0074060600000000 ] - [ 0.0001928500000000, -0.0007182700000000, 0.0001674400000000 ] - [ -0.0002233700000000, -0.0004385200000000, 0.0002904300000000 ] - [ 0.0000942000000000, -0.0006574600000000, 0.0003133700000000 ] - [ -0.0003701600000000, 0.0006672600000000, 0.0015689300000000 ] - [ 0.0001818200000000, 0.0001316200000000, -0.0001034500000000 ] - [ -0.0000938500000000, -0.0000470200000000, -0.0002610400000000 ] - [ 0.0000432800000000, -0.0000155600000000, -0.0004581000000000 ] - [ -0.0010284200000000, -0.0002387500000000, -0.0064267900000000 ] - [ -0.0003735000000000, -0.0000704700000000, -0.0011114600000000 ] - [ 0.0006815400000000, 0.0008612700000000, -0.0009770000000000 ] - [ -0.0000659800000000, 0.0000115200000000, -0.0007597200000000 ] - [ -0.0008812800000000, 0.0015726700000000, -0.0014610300000000 ] - [ 0.0002041500000000, 0.0009012200000000, -0.0000720800000000 ] - [ -0.0003629900000000, -0.0008208700000000, -0.0009783500000000 ] - [ 0.0001066800000000, 0.0005105700000000, 0.0000630700000000 ] - [ 0.0002065000000000, 0.0002807300000000, 0.0012890000000000 ] - [ -0.0001102800000000, 0.0006031200000000, 0.0006680900000000 ] - [ 0.0002013100000000, 0.0010683900000000, 0.0011300400000000 ] - [ -0.0000634900000000, 0.0007459300000000, 0.0005597400000000 ] - [ -0.0003226800000000, -0.0000729400000000, 0.0006009300000000 ] - [ -0.0001293000000000, -0.0003104900000000, 0.0001811800000000 ] - [ -0.0003491100000000, -0.0009451700000000, 0.0014111600000000 ] - [ -0.0001304300000000, -0.0004125700000000, 0.0001966600000000 ] - [ -0.0000524200000000, -0.0010990500000000, -0.0006170600000000 ] - [ -0.0002089200000000, -0.0003679500000000, -0.0000558000000000 ] - [ -0.0006576600000000, -0.0055634600000000, -0.0073087700000000 ] - [ -0.0002006600000000, -0.0003332800000000, -0.0000543200000000 ] - [ -0.0016298000000000, 0.0015950400000000, -0.0179473400000000 ] - [ 0.0000884100000000, 0.0003850500000000, 0.0000142500000000 ] - [ 0.0000827400000000, 0.0003868400000000, -0.0000951500000000 ] - [ 0.0001799800000000, 0.0003694700000000, 0.0000353300000000 ] - [ -0.0006045300000000, -0.0004609700000000, 0.0040607300000000 ] - [ 0.0002669900000000, 0.0003381000000000, 0.0001567100000000 ] - [ 0.0002178800000000, 0.0003706600000000, 0.0002436000000000 ] - [ 0.0002136000000000, 0.0003638000000000, 0.0001259100000000 ] - [ -0.0013264700000000, 0.0005884500000000, -0.0000844800000000 ] - [ 0.0029424500000000, 0.0004571000000000, -0.0001565400000000 ] - [ -0.0003146600000000, 0.0003658000000000, -0.0000075900000000 ] - [ 0.0000362600000000, 0.0003619900000000, -0.0000345600000000 ] - [ 0.0004583500000000, 0.0003082600000000, 0.0002844000000000 ] - [ -0.0014075600000000, 0.0004511300000000, 0.0008703800000000 ] - [ -0.0000591400000000, 0.0003543200000000, 0.0001725200000000 ] - [ -0.0003710200000000, 0.0003901100000000, 0.0002125100000000 ] - [ 0.0000968200000000, -0.0001920700000000, 0.0003330200000000 ] - [ 0.0003823500000000, -0.0002041100000000, 0.0004331100000000 ] - [ 0.0000366300000000, -0.0005269400000000, 0.0004317700000000 ] - [ 0.0003155300000000, -0.0005676300000000, 0.0004668200000000 ] - [ 0.0004786500000000, -0.0008642100000000, -0.0001368100000000 ] - [ -0.0002445900000000, -0.0006927600000000, -0.0002822700000000 ] - [ 0.0010570000000000, -0.0001477300000000, -0.0004847200000000 ] - [ -0.0002109400000000, -0.0000679300000000, -0.0003973900000000 ] - [ -0.0095779000000000, -0.0046806700000000, -0.0066289700000000 ] - [ 0.0006608400000000, -0.0006623500000000, -0.0006130300000000 ] - [ 0.0000111000000000, 0.0002115200000000, -0.0003932100000000 ] - [ 0.0000797200000000, -0.0001669400000000, -0.0002852800000000 ] - [ 0.0071504600000000, 0.0033526400000000, -0.0069034600000000 ] - [ -0.0004711300000000, 0.0001556100000000, -0.0001605700000000 ] - [ 0.0001257700000000, -0.0004039700000000, -0.0003945600000000 ] - [ -0.0001249700000000, -0.0001103100000000, -0.0002966100000000 ] - [ 0.0004643600000000, 0.0017430100000000, 0.0026052500000000 ] - [ 0.0003006800000000, 0.0002200200000000, 0.0004934000000000 ] - [ -0.0016098900000000, 0.0005767600000000, 0.0032054100000000 ] - [ 0.0001672000000000, 0.0000772900000000, 0.0002745000000000 ] - [ 0.0001166800000000, -0.0007056900000000, -0.0015918500000000 ] - [ -0.0001586800000000, -0.0000386600000000, -0.0007507800000000 ] - [ 0.0003384100000000, 0.0002587400000000, -0.0013128800000000 ] - [ -0.0001167300000000, 0.0001719400000000, -0.0006087500000000 ] - [ 0.0064460100000000, -0.0026256200000000, -0.0034823100000000 ] - [ -0.0008549000000000, 0.0000837600000000, 0.0005440300000000 ] - [ 0.0000893300000000, 0.0007721500000000, 0.0006900700000000 ] - [ -0.0001268800000000, 0.0005368700000000, 0.0007102200000000 ] - [ -0.0046524900000000, 0.0030339600000000, -0.0036520500000000 ] - [ 0.0005599200000000, 0.0008081200000000, 0.0006444900000000 ] - [ -0.0001203200000000, 0.0004268500000000, 0.0004557300000000 ] - [ 0.0001057200000000, 0.0006045100000000, 0.0007009600000000 ] - [ -0.0001027200000000, 0.0005031500000000, 0.0037655100000000 ] - [ -0.0001875200000000, -0.0005561700000000, 0.0010514100000000 ] - [ 0.0007350000000000, -0.0006416800000000, 0.0029191500000000 ] - [ -0.0001958100000000, -0.0006280000000000, 0.0010069300000000 ] - [ 0.0000041300000000, -0.0011528600000000, -0.0007603400000000 ] - [ 0.0000366700000000, -0.0006200900000000, 0.0004567100000000 ] - [ -0.0000997800000000, -0.0004638600000000, -0.0001232200000000 ] - [ 0.0000294100000000, -0.0005305400000000, 0.0005220000000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005711700000000, -0.0008461500000000, -0.0018551200000000 ] - [ -0.0003359400000000, -0.0001751400000000, -0.0000701200000000 ] - [ 0.0006006500000000, 0.0003374700000000, -0.0004455000000000 ] - [ -0.0001629900000000, -0.0006888100000000, -0.0001415100000000 ] - [ 0.0007775400000000, -0.0006088800000000, 0.0003062400000000 ] - [ -0.0002549500000000, -0.0002039700000000, -0.0002998700000000 ] - [ 0.0005757500000000, 0.0002271100000000, 0.0000416300000000 ] - [ -0.0000879800000000, -0.0005651000000000, -0.0002657200000000 ] - [ -0.0009253500000000, 0.0007370700000000, 0.0001775600000000 ] - [ 0.0099744500000000, 0.0014410600000000, 0.0007567000000000 ] - [ -0.0001617400000000, 0.0002164500000000, -0.0001314100000000 ] - [ 0.0005512000000000, 0.0017442900000000, -0.0008732800000000 ] - [ -0.0002151600000000, 0.0004482200000000, -0.0003772100000000 ] - [ 0.0007470600000000, 0.0003811300000000, 0.0001734700000000 ] - [ 0.0000233300000000, 0.0003231900000000, -0.0002393200000000 ] - [ 0.0004145700000000, 0.0004081400000000, -0.0001026100000000 ] - [ -0.0007633400000000, -0.0005781400000000, -0.0003218500000000 ] - [ 0.0001374500000000, 0.0000874600000000, 0.0014694300000000 ] - [ -0.0005941100000000, -0.0000604400000000, -0.0002512400000000 ] - [ 0.0001706400000000, -0.0010861500000000, 0.0000488100000000 ] - [ -0.0006807800000000, -0.0005475200000000, -0.0000907600000000 ] - [ 0.0003306100000000, -0.0001417400000000, -0.0007021400000000 ] - [ -0.0005164300000000, -0.0001838200000000, -0.0001267100000000 ] - [ 0.0001467200000000, -0.0009822900000000, -0.0004294200000000 ] - [ 0.0101310600000000, -0.0011326300000000, -0.0013016900000000 ] - [ -0.0013494100000000, 0.0000204700000000, -0.0005665800000000 ] - [ 0.0001195700000000, -0.0009765000000000, 0.0004782300000000 ] - [ -0.0005915900000000, 0.0005342200000000, -0.0002604800000000 ] - [ 0.0003208200000000, 0.0003718100000000, -0.0005638200000000 ] - [ -0.0006437000000000, 0.0003052200000000, -0.0000160400000000 ] - [ -0.0000129800000000, 0.0003485400000000, -0.0002882900000000 ] - [ -0.0004075000000000, 0.0004309400000000, -0.0001525600000000 ] - [ -0.0566257900000000, 0.0009034300000000, -0.0004239200000000 ] - [ 0.0014726400000000, 0.0000156700000000, -0.0005960100000000 ] - [ -0.0014010900000000, 0.0000096900000000, -0.0005957700000000 ] - [ 0.0005962300000000, 0.0000154100000000, -0.0005950800000000 ] - [ -0.0008573400000000, 0.0000204700000000, -0.0005942300000000 ] - [ 0.0006849800000000, 0.0000143600000000, -0.0005949800000000 ] - [ -0.0004663500000000, 0.0000162400000000, -0.0005943300000000 ] - [ 0.0003766000000000, 0.0000170300000000, -0.0005945000000000 ] - [ -0.0061271300000000, -0.0007004800000000, 0.0003785200000000 ] - [ 0.0007955500000000, -0.0006810600000000, 0.0003488600000000 ] - [ -0.0010596000000000, -0.0006844000000000, 0.0003475200000000 ] - [ 0.0005438700000000, -0.0006827600000000, 0.0003474900000000 ] - [ -0.0015971600000000, -0.0006848500000000, 0.0003392200000000 ] - [ 0.0007533700000000, -0.0006798900000000, 0.0003499100000000 ] - [ -0.0007852400000000, -0.0006824100000000, 0.0003483300000000 ] - [ 0.0005252600000000, -0.0006833900000000, 0.0003518800000000 ] - [ 0.0005493800000000, 0.0002536000000000, -0.0016479500000000 ] - [ 0.0005540700000000, -0.0002799600000000, 0.0004536000000000 ] - [ 0.0001368500000000, -0.0002971400000000, -0.0008172000000000 ] - [ 0.0001374900000000, 0.0002668400000000, -0.0003749300000000 ] - [ 0.0005496300000000, 0.0007673300000000, 0.0007915100000000 ] - [ 0.0005530400000000, -0.0007867400000000, -0.0019761100000000 ] - [ 0.0001366500000000, -0.0002016700000000, -0.0003281600000000 ] - [ 0.0001389500000000, 0.0001699000000000, -0.0008620000000000 ] - [ 0.0058608600000000, 0.0000867700000000, 0.0021704600000000 ] - [ 0.0057891400000000, 0.0012653400000000, -0.0014569200000000 ] - [ 0.0004654200000000, 0.0011692900000000, 0.0005466500000000 ] - [ 0.0004701100000000, 0.0001863700000000, 0.0001490700000000 ] - [ 0.0003611000000000, 0.0007995800000000, -0.0001283700000000 ] - [ 0.0003609500000000, 0.0005645600000000, 0.0008271900000000 ] - [ 0.0000559900000000, 0.0006388200000000, 0.0002854900000000 ] - [ 0.0000550700000000, 0.0007222200000000, 0.0004133200000000 ] - [ 0.0010150300000000, -0.0016067600000000, -0.0038477300000000 ] - [ 0.0011428300000000, -0.0001318100000000, 0.0002909500000000 ] - [ -0.0005234100000000, -0.0000400500000000, -0.0004027600000000 ] - [ 0.0002706800000000, -0.0004480600000000, 0.0001689400000000 ] - [ 0.0008858300000000, -0.0013877800000000, 0.0024282800000000 ] - [ 0.0015398000000000, 0.0000485800000000, -0.0008382300000000 ] - [ -0.0004919100000000, 0.0000839500000000, 0.0006468900000000 ] - [ 0.0003499800000000, -0.0004133300000000, -0.0000851600000000 ] - [ 0.0008768700000000, 0.0121295000000000, -0.0001566600000000 ] - [ 0.0020604900000000, 0.0001815600000000, 0.0001783400000000 ] - [ -0.0010172400000000, -0.0024623000000000, -0.0000296000000000 ] - [ 0.0012695500000000, 0.0008088000000000, 0.0002318600000000 ] - [ -0.0007225700000000, 0.0003537500000000, 0.0000309200000000 ] - [ 0.0010359800000000, 0.0002909700000000, 0.0001205600000000 ] - [ -0.0005663300000000, -0.0000794100000000, -0.0000093800000000 ] - [ 0.0007839400000000, 0.0005672300000000, 0.0001008400000000 ] - [ 0.0017073600000000, 0.0005293500000000, -0.0000250500000000 ] - [ 0.0005726400000000, -0.0113677400000000, 0.0003182600000000 ] - [ 0.0009200800000000, -0.0001084700000000, -0.0000850900000000 ] - [ -0.0013694500000000, 0.0031502600000000, 0.0001833800000000 ] - [ 0.0006825500000000, 0.0004187200000000, 0.0000313000000000 ] - [ -0.0010656500000000, 0.0003476300000000, 0.0001219800000000 ] - [ 0.0004330300000000, 0.0001325700000000, 0.0000496100000000 ] - [ -0.0009159300000000, 0.0007781000000000, 0.0001594400000000 ] - [ 0.0014925100000000, -0.0005747700000000, -0.0001420100000000 ] - [ 0.0013703900000000, 0.0008936800000000, 0.0039757500000000 ] - [ 0.0006178200000000, -0.0002545900000000, -0.0000189400000000 ] - [ -0.0001641400000000, -0.0006743700000000, 0.0005613700000000 ] - [ 0.0018931700000000, -0.0007594900000000, 0.0009998900000000 ] - [ 0.0012542400000000, 0.0006810600000000, -0.0022677100000000 ] - [ 0.0007002200000000, -0.0002937200000000, 0.0002380500000000 ] - [ -0.0001390900000000, -0.0007924400000000, -0.0004994100000000 ] - [ 0.0281560900000000, -0.0005423200000000, -0.0001474500000000 ] - [ -0.0024830600000000, -0.0001281800000000, -0.0002377500000000 ] - [ 0.0039760000000000, -0.0001170700000000, -0.0002327500000000 ] - [ -0.0015661800000000, -0.0001218500000000, -0.0002409700000000 ] - [ 0.0010911000000000, -0.0001272700000000, -0.0002330300000000 ] - [ -0.0012992700000000, -0.0001262800000000, -0.0002428900000000 ] - [ 0.0013608000000000, -0.0001238600000000, -0.0002406100000000 ] - [ -0.0010000900000000, -0.0001243200000000, -0.0002357200000000 ] - [ -0.0026287700000000, -0.0000510900000000, -0.0046227700000000 ] - [ -0.0026256300000000, 0.0003037000000000, 0.0040967100000000 ] - [ -0.0004055100000000, 0.0000427500000000, -0.0009053900000000 ] - [ -0.0004099200000000, 0.0002111100000000, 0.0004285900000000 ] - [ -0.0021056900000000, -0.0000372800000000, 0.0010710500000000 ] - [ -0.0021076300000000, 0.0002869800000000, -0.0015468700000000 ] - [ -0.0001986900000000, 0.0003089100000000, -0.0000869400000000 ] - [ -0.0002063500000000, -0.0000524900000000, -0.0003928200000000 ] - [ -0.0042594500000000, -0.0013603500000000, 0.0020824700000000 ] - [ -0.0042563000000000, 0.0024528800000000, -0.0006254500000000 ] - [ -0.0005568800000000, 0.0010419800000000, 0.0009168500000000 ] - [ -0.0005551500000000, 0.0000952300000000, 0.0005361400000000 ] - [ 0.0000140000000000, -0.0000797000000000, 0.0002106300000000 ] - [ 0.0000071400000000, 0.0012061400000000, 0.0012377300000000 ] - [ -0.0001094200000000, 0.0007186200000000, 0.0004969300000000 ] - [ -0.0001108500000000, 0.0004131500000000, 0.0009541600000000 ] - [ 0.0036438600000000, -0.0005702000000000, 0.0006045000000000 ] - [ -0.0019470900000000, -0.0005655600000000, 0.0007247800000000 ] - [ 0.0013161000000000, -0.0005624800000000, 0.0007251700000000 ] - [ -0.0007528300000000, -0.0005652400000000, 0.0007260900000000 ] - [ 0.0043789100000000, -0.0005799600000000, 0.0007254400000000 ] - [ -0.0013402500000000, -0.0005649000000000, 0.0007261900000000 ] - [ 0.0008260800000000, -0.0005606800000000, 0.0007259600000000 ] - [ -0.0006364500000000, -0.0005646500000000, 0.0007257200000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003467900000000, -0.0000440200000000, -0.0028947100000000 ] - [ 0.0003306700000000, -0.0002980000000000, -0.0004348300000000 ] - [ 0.0006869900000000, -0.0014268600000000, 0.0007605900000000 ] - [ 0.0000841700000000, -0.0005444400000000, -0.0001645300000000 ] - [ -0.0017815800000000, -0.0009145200000000, 0.0010101000000000 ] - [ 0.0003807000000000, -0.0004254700000000, -0.0000670700000000 ] - [ 0.0005214100000000, -0.0007258500000000, -0.0006983900000000 ] - [ 0.0001365800000000, -0.0004387500000000, -0.0002154600000000 ] - [ 0.0004419400000000, 0.0004665700000000, -0.0002571900000000 ] - [ 0.0016225300000000, 0.0067502200000000, -0.0004526000000000 ] - [ -0.0000083700000000, 0.0001175100000000, -0.0001773400000000 ] - [ 0.0003814400000000, -0.0028564300000000, 0.0006726400000000 ] - [ 0.0003191000000000, 0.0004154400000000, -0.0000534700000000 ] - [ 0.0004173600000000, 0.0005799300000000, 0.0004851300000000 ] - [ 0.0001590800000000, 0.0003264600000000, -0.0002014700000000 ] - [ 0.0002113200000000, 0.0000796900000000, -0.0002292100000000 ] - [ -0.0003306700000000, -0.0002980000000000, -0.0004348300000000 ] - [ 0.0003467900000000, -0.0000440200000000, -0.0028947100000000 ] - [ -0.0000841700000000, -0.0005444400000000, -0.0001645300000000 ] - [ -0.0006869900000000, -0.0014268600000000, 0.0007605900000000 ] - [ -0.0003807000000000, -0.0004254700000000, -0.0000670700000000 ] - [ 0.0017815800000000, -0.0009145200000000, 0.0010101000000000 ] - [ -0.0001365800000000, -0.0004387500000000, -0.0002154600000000 ] - [ -0.0005214100000000, -0.0007258500000000, -0.0006983900000000 ] - [ -0.0016225300000000, 0.0067502200000000, -0.0004526000000000 ] - [ -0.0004419400000000, 0.0004665700000000, -0.0002571900000000 ] - [ -0.0003814400000000, -0.0028564300000000, 0.0006726400000000 ] - [ 0.0000083700000000, 0.0001175100000000, -0.0001773400000000 ] - [ -0.0004173600000000, 0.0005799300000000, 0.0004851300000000 ] - [ -0.0003191000000000, 0.0004154400000000, -0.0000534700000000 ] - [ -0.0002113200000000, 0.0000796900000000, -0.0002292100000000 ] - [ -0.0001590800000000, 0.0003264600000000, -0.0002014700000000 ] - [ 0.0000000000000000, -0.2273644100000000, 0.0465161800000000 ] - [ 0.0000000000000000, -0.0006362600000000, -0.0004162500000000 ] - [ 0.0000000000000000, 0.0040619400000000, -0.0007958600000000 ] - [ 0.0000000000000000, 0.0004334500000000, -0.0006023300000000 ] - [ 0.0000000000000000, -0.0013238700000000, -0.0012600900000000 ] - [ 0.0000000000000000, -0.0002854200000000, -0.0006610800000000 ] - [ 0.0000000000000000, 0.0009448700000000, -0.0008498300000000 ] - [ 0.0000000000000000, 0.0002586900000000, -0.0006765400000000 ] - [ 0.0000000000000000, 0.0031157300000000, -0.0137063100000000 ] - [ 0.0000000000000000, -0.0010184200000000, 0.0001160900000000 ] - [ 0.0000000000000000, 0.0013894500000000, 0.0017484100000000 ] - [ 0.0000000000000000, -0.0004199300000000, 0.0004569300000000 ] - [ 0.0000000000000000, -0.0021471200000000, 0.0018019400000000 ] - [ 0.0000000000000000, -0.0009942300000000, 0.0003533900000000 ] - [ 0.0000000000000000, 0.0005745300000000, -0.0003875300000000 ] - [ 0.0000000000000000, -0.0004050600000000, 0.0003262500000000 ] - [ 0.0007779700000000, -0.0017055000000000, -0.0016436400000000 ] - [ -0.0007779700000000, -0.0017055000000000, -0.0016436400000000 ] - [ -0.0001869100000000, 0.0010056400000000, -0.0001343300000000 ] - [ 0.0001869100000000, 0.0010056400000000, -0.0001343300000000 ] - [ 0.0002663100000000, -0.0017052200000000, -0.0000071300000000 ] - [ -0.0002663100000000, -0.0017052200000000, -0.0000071300000000 ] - [ -0.0002791200000000, 0.0010108100000000, -0.0007352000000000 ] - [ 0.0002791200000000, 0.0010108100000000, -0.0007352000000000 ] - [ -0.0018622800000000, -0.0017925000000000, 0.0008218600000000 ] - [ 0.0018622800000000, -0.0017925000000000, 0.0008218600000000 ] - [ 0.0005786600000000, 0.0028430500000000, 0.0003867700000000 ] - [ -0.0005786600000000, 0.0028430500000000, 0.0003867700000000 ] - [ -0.0003831100000000, -0.0002158000000000, 0.0004097100000000 ] - [ 0.0003831100000000, -0.0002158000000000, 0.0004097100000000 ] - [ 0.0002256800000000, 0.0011958000000000, 0.0001188800000000 ] - [ -0.0002256800000000, 0.0011958000000000, 0.0001188800000000 ] - [ -0.0025268700000000, -0.0019228900000000, 0.0031057200000000 ] - [ 0.0003683500000000, -0.0007602800000000, 0.0001477800000000 ] - [ 0.0004931200000000, 0.0013819900000000, -0.0008811300000000 ] - [ -0.0004840000000000, -0.0000229000000000, -0.0000898400000000 ] - [ -0.0045449700000000, -0.0005362100000000, -0.0026992900000000 ] - [ 0.0007382600000000, -0.0006066000000000, 0.0000855100000000 ] - [ 0.0001800300000000, 0.0007515100000000, 0.0007939100000000 ] - [ -0.0003482300000000, -0.0001390700000000, 0.0001740900000000 ] - [ 0.0118136100000000, 0.0140878600000000, 0.0011325800000000 ] - [ -0.0005676400000000, 0.0000136900000000, 0.0000703500000000 ] - [ -0.0028793400000000, 0.0066749200000000, 0.0003649400000000 ] - [ 0.0004616400000000, 0.0006515900000000, 0.0001802400000000 ] - [ 0.0007771100000000, 0.0002517900000000, -0.0007304500000000 ] - [ 0.0000404800000000, 0.0002534100000000, -0.0000288700000000 ] - [ 0.0001236000000000, 0.0007124900000000, -0.0000039900000000 ] - [ 0.0002641700000000, 0.0004884900000000, 0.0000601700000000 ] - [ 0.0005676400000000, 0.0000136900000000, 0.0000703500000000 ] - [ -0.0118136100000000, 0.0140878600000000, 0.0011325800000000 ] - [ -0.0004616400000000, 0.0006515900000000, 0.0001802400000000 ] - [ 0.0028793400000000, 0.0066749200000000, 0.0003649400000000 ] - [ -0.0000404800000000, 0.0002534100000000, -0.0000288700000000 ] - [ -0.0007771100000000, 0.0002517900000000, -0.0007304500000000 ] - [ -0.0002641700000000, 0.0004884900000000, 0.0000601700000000 ] - [ -0.0001236000000000, 0.0007124900000000, -0.0000039900000000 ] - [ -0.0003683500000000, -0.0007602800000000, 0.0001477800000000 ] - [ 0.0025268700000000, -0.0019228900000000, 0.0031057200000000 ] - [ 0.0004840000000000, -0.0000229000000000, -0.0000898400000000 ] - [ -0.0004931200000000, 0.0013819900000000, -0.0008811300000000 ] - [ -0.0007382600000000, -0.0006066000000000, 0.0000855100000000 ] - [ 0.0045449700000000, -0.0005362100000000, -0.0026992900000000 ] - [ 0.0003482300000000, -0.0001390700000000, 0.0001740900000000 ] - [ -0.0001800300000000, 0.0007515100000000, 0.0007939100000000 ] - [ 0.0000000000000000, 0.1678662700000000, -0.0343014400000000 ] - [ 0.0000000000000000, 0.0010269700000000, 0.0001845200000000 ] - [ 0.0000000000000000, -0.0080453100000000, -0.0019275300000000 ] - [ 0.0000000000000000, -0.0007546700000000, -0.0004642100000000 ] - [ 0.0000000000000000, 0.0013862500000000, 0.0004791400000000 ] - [ 0.0000000000000000, 0.0003040300000000, -0.0000931300000000 ] - [ 0.0000000000000000, -0.0011039600000000, 0.0002944400000000 ] - [ 0.0000000000000000, -0.0004982700000000, -0.0002196600000000 ] - [ 0.0031593500000000, 0.0031784800000000, -0.0008751300000000 ] - [ -0.0031593500000000, 0.0031784800000000, -0.0008751300000000 ] - [ -0.0007665400000000, -0.0014234100000000, -0.0007091700000000 ] - [ 0.0007665400000000, -0.0014234100000000, -0.0007091700000000 ] - [ 0.0013900900000000, 0.0030101500000000, -0.0005571600000000 ] - [ -0.0013900900000000, 0.0030101500000000, -0.0005571600000000 ] - [ -0.0009068800000000, -0.0012758400000000, 0.0001864800000000 ] - [ 0.0009068800000000, -0.0012758400000000, 0.0001864800000000 ] - [ -0.0048557000000000, 0.0041421400000000, 0.0016672900000000 ] - [ 0.0048557000000000, 0.0041421400000000, 0.0016672900000000 ] - [ 0.0019087600000000, -0.0010236800000000, 0.0002794400000000 ] - [ -0.0019087600000000, -0.0010236800000000, 0.0002794400000000 ] - [ -0.0004255800000000, 0.0011945500000000, 0.0009619800000000 ] - [ 0.0004255800000000, 0.0011945500000000, 0.0009619800000000 ] - [ 0.0002574600000000, 0.0000233800000000, 0.0008776200000000 ] - [ -0.0002574600000000, 0.0000233800000000, 0.0008776200000000 ] - [ 0.0000000000000000, 0.0039003800000000, 0.0019827400000000 ] - [ 0.0000000000000000, -0.0000537300000000, 0.0005473800000000 ] - [ 0.0000000000000000, -0.0026847900000000, 0.0002868400000000 ] - [ 0.0000000000000000, -0.0008734100000000, 0.0006740500000000 ] - [ 0.0000000000000000, 0.0057066500000000, -0.0015595500000000 ] - [ 0.0000000000000000, -0.0001456400000000, 0.0007309000000000 ] - [ 0.0000000000000000, -0.0029330700000000, 0.0009856500000000 ] - [ 0.0000000000000000, -0.0008882500000000, 0.0008121700000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007794300000000, -0.0006984100000000, 0.0024856900000000 ] - [ 0.0000974000000000, -0.0004554400000000, 0.0000435300000000 ] - [ -0.0002636700000000, 0.0006667300000000, -0.0011587900000000 ] - [ 0.0003426500000000, -0.0002113200000000, -0.0002263700000000 ] - [ 0.0022093800000000, 0.0001617600000000, -0.0013953400000000 ] - [ 0.0000466000000000, -0.0003270900000000, -0.0003211100000000 ] - [ -0.0000943600000000, -0.0000318800000000, 0.0003111700000000 ] - [ 0.0002937400000000, -0.0003155100000000, -0.0001742600000000 ] - [ -0.0000126000000000, 0.0002871000000000, -0.0001342900000000 ] - [ -0.0014898800000000, -0.0061553700000000, -0.0000017000000000 ] - [ 0.0004335500000000, 0.0006394300000000, -0.0002121500000000 ] - [ 0.0000504300000000, 0.0036036200000000, -0.0010598800000000 ] - [ 0.0001101900000000, 0.0003396000000000, -0.0003352300000000 ] - [ 0.0000094600000000, 0.0001739400000000, -0.0008674300000000 ] - [ 0.0002689100000000, 0.0004302300000000, -0.0001894300000000 ] - [ 0.0002167100000000, 0.0006784600000000, -0.0001621700000000 ] - [ -0.0000974000000000, -0.0004554400000000, 0.0000435300000000 ] - [ -0.0007794300000000, -0.0006984100000000, 0.0024856900000000 ] - [ -0.0003426500000000, -0.0002113200000000, -0.0002263700000000 ] - [ 0.0002636700000000, 0.0006667300000000, -0.0011587900000000 ] - [ -0.0000466000000000, -0.0003270900000000, -0.0003211100000000 ] - [ -0.0022093800000000, 0.0001617600000000, -0.0013953400000000 ] - [ -0.0002937400000000, -0.0003155100000000, -0.0001742600000000 ] - [ 0.0000943600000000, -0.0000318800000000, 0.0003111700000000 ] - [ 0.0014898800000000, -0.0061553700000000, -0.0000017000000000 ] - [ 0.0000126000000000, 0.0002871000000000, -0.0001342900000000 ] - [ -0.0000504300000000, 0.0036036200000000, -0.0010598800000000 ] - [ -0.0004335500000000, 0.0006394300000000, -0.0002121500000000 ] - [ -0.0000094600000000, 0.0001739400000000, -0.0008674300000000 ] - [ -0.0001101900000000, 0.0003396000000000, -0.0003352300000000 ] - [ -0.0002167100000000, 0.0006784600000000, -0.0001621700000000 ] - [ -0.0002689100000000, 0.0004302300000000, -0.0001894300000000 ] - [ 0.0000000000000000, 0.2169089900000000, -0.0444151200000000 ] - [ 0.0000000000000000, 0.0006535900000000, -0.0007727000000000 ] - [ 0.0000000000000000, -0.0040375700000000, -0.0003943400000000 ] - [ 0.0000000000000000, -0.0004088800000000, -0.0005878200000000 ] - [ 0.0000000000000000, 0.0013447300000000, 0.0000592400000000 ] - [ 0.0000000000000000, 0.0003063600000000, -0.0005303900000000 ] - [ 0.0000000000000000, -0.0009188900000000, -0.0003429400000000 ] - [ 0.0000000000000000, -0.0002325600000000, -0.0005143800000000 ] - [ 0.0000000000000000, -0.0044123900000000, 0.0141400300000000 ] - [ 0.0000000000000000, -0.0003422900000000, 0.0005725100000000 ] - [ 0.0000000000000000, -0.0027488000000000, -0.0010653300000000 ] - [ 0.0000000000000000, -0.0009373400000000, 0.0002341300000000 ] - [ 0.0000000000000000, 0.0007390000000000, -0.0011413800000000 ] - [ 0.0000000000000000, -0.0003653100000000, 0.0003378400000000 ] - [ 0.0000000000000000, -0.0019262900000000, 0.0010860200000000 ] - [ 0.0000000000000000, -0.0009505400000000, 0.0003674800000000 ] - [ -0.0007768400000000, 0.0016704800000000, 0.0004462600000000 ] - [ 0.0007768400000000, 0.0016704800000000, 0.0004462600000000 ] - [ 0.0001892800000000, -0.0010293400000000, -0.0010610600000000 ] - [ -0.0001892800000000, -0.0010293400000000, -0.0010610600000000 ] - [ -0.0002692900000000, 0.0016696000000000, -0.0011809900000000 ] - [ 0.0002692900000000, 0.0016696000000000, -0.0011809900000000 ] - [ 0.0002807800000000, -0.0010281100000000, -0.0004502900000000 ] - [ -0.0002807800000000, -0.0010281100000000, -0.0004502900000000 ] - [ 0.0018341300000000, 0.0031485200000000, -0.0001304800000000 ] - [ -0.0018341300000000, 0.0031485200000000, -0.0001304800000000 ] - [ -0.0005720000000000, -0.0014784200000000, 0.0003084600000000 ] - [ 0.0005720000000000, -0.0014784200000000, 0.0003084600000000 ] - [ 0.0003807600000000, 0.0015703100000000, 0.0002821400000000 ] - [ -0.0003807600000000, 0.0015703100000000, 0.0002821400000000 ] - [ -0.0002233800000000, 0.0001625600000000, 0.0005724200000000 ] - [ 0.0002233800000000, 0.0001625600000000, 0.0005724200000000 ] - [ 0.0021580600000000, 0.0012263500000000, -0.0029338000000000 ] - [ -0.0007172700000000, 0.0000507200000000, 0.0000074300000000 ] - [ -0.0008425200000000, -0.0020888500000000, 0.0010285000000000 ] - [ 0.0001297700000000, -0.0006853500000000, 0.0002404800000000 ] - [ 0.0041684100000000, -0.0001575700000000, 0.0028385400000000 ] - [ -0.0010832200000000, -0.0001049900000000, 0.0000671000000000 ] - [ -0.0005328900000000, -0.0014598400000000, -0.0006297100000000 ] - [ -0.0000084500000000, -0.0005722200000000, -0.0000150000000000 ] - [ -0.0112040100000000, -0.0131089100000000, -0.0009306200000000 ] - [ 0.0009173300000000, 0.0006933600000000, 0.0000849200000000 ] - [ 0.0032736900000000, -0.0060048500000000, -0.0002062000000000 ] - [ -0.0001089100000000, 0.0000644600000000, -0.0000239500000000 ] - [ -0.0004270300000000, 0.0004552500000000, 0.0008754400000000 ] - [ 0.0003134500000000, 0.0004594900000000, 0.0001839500000000 ] - [ 0.0002301900000000, 0.0000037900000000, 0.0001575500000000 ] - [ 0.0000888500000000, 0.0002241400000000, 0.0000933900000000 ] - [ -0.0009173300000000, 0.0006933600000000, 0.0000849200000000 ] - [ 0.0112040100000000, -0.0131089100000000, -0.0009306200000000 ] - [ 0.0001089100000000, 0.0000644600000000, -0.0000239500000000 ] - [ -0.0032736900000000, -0.0060048500000000, -0.0002062000000000 ] - [ -0.0003134500000000, 0.0004594900000000, 0.0001839500000000 ] - [ 0.0004270300000000, 0.0004552500000000, 0.0008754400000000 ] - [ -0.0000888500000000, 0.0002241400000000, 0.0000933900000000 ] - [ -0.0002301900000000, 0.0000037900000000, 0.0001575500000000 ] - [ 0.0007172700000000, 0.0000507200000000, 0.0000074300000000 ] - [ -0.0021580600000000, 0.0012263500000000, -0.0029338000000000 ] - [ -0.0001297700000000, -0.0006853500000000, 0.0002404800000000 ] - [ 0.0008425200000000, -0.0020888500000000, 0.0010285000000000 ] - [ 0.0010832200000000, -0.0001049900000000, 0.0000671000000000 ] - [ -0.0041684100000000, -0.0001575700000000, 0.0028385400000000 ] - [ 0.0000084500000000, -0.0005722200000000, -0.0000150000000000 ] - [ 0.0005328900000000, -0.0014598400000000, -0.0006297100000000 ] - [ 0.0000000000000000, -0.1580644100000000, 0.0310127500000000 ] - [ 0.0000000000000000, -0.0012687600000000, -0.0006653700000000 ] - [ 0.0000000000000000, 0.0078267800000000, 0.0014489100000000 ] - [ 0.0000000000000000, 0.0005028500000000, -0.0000154600000000 ] - [ 0.0000000000000000, -0.0016315200000000, -0.0009261100000000 ] - [ 0.0000000000000000, -0.0005525200000000, -0.0003919000000000 ] - [ 0.0000000000000000, 0.0008467100000000, -0.0007796200000000 ] - [ 0.0000000000000000, 0.0002450100000000, -0.0002623400000000 ] - [ -0.0031293100000000, -0.0029140800000000, 0.0003973900000000 ] - [ 0.0031293100000000, -0.0029140800000000, 0.0003973900000000 ] - [ 0.0007593000000000, 0.0016667200000000, 0.0002191300000000 ] - [ -0.0007593000000000, 0.0016667200000000, 0.0002191300000000 ] - [ -0.0013754100000000, -0.0027457200000000, 0.0000682600000000 ] - [ 0.0013754100000000, -0.0027457200000000, 0.0000682600000000 ] - [ 0.0009023500000000, 0.0015232900000000, -0.0006644000000000 ] - [ -0.0009023500000000, 0.0015232900000000, -0.0006644000000000 ] - [ 0.0048361800000000, -0.0029702000000000, -0.0002099700000000 ] - [ -0.0048361800000000, -0.0029702000000000, -0.0002099700000000 ] - [ -0.0019174900000000, 0.0021513700000000, 0.0011761700000000 ] - [ 0.0019174900000000, 0.0021513700000000, 0.0011761700000000 ] - [ 0.0004281000000000, -0.0000593700000000, 0.0004923900000000 ] - [ -0.0004281000000000, -0.0000593700000000, 0.0004923900000000 ] - [ -0.0002563400000000, 0.0011034800000000, 0.0005744100000000 ] - [ 0.0002563400000000, 0.0011034800000000, 0.0005744100000000 ] - [ 0.0000000000000000, -0.0049774000000000, -0.0006676100000000 ] - [ 0.0000000000000000, -0.0010751100000000, 0.0009029700000000 ] - [ 0.0000000000000000, 0.0015492900000000, 0.0011531900000000 ] - [ 0.0000000000000000, -0.0002596000000000, 0.0007768800000000 ] - [ 0.0000000000000000, -0.0068267800000000, 0.0029859600000000 ] - [ 0.0000000000000000, -0.0009839500000000, 0.0007211500000000 ] - [ 0.0000000000000000, 0.0017994100000000, 0.0004726700000000 ] - [ 0.0000000000000000, -0.0002456200000000, 0.0006410000000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0007966500000000, -0.0016806100000000, 0.0003389700000000 ] - [ 0.0004158100000000, -0.0005559600000000, -0.0000593000000000 ] - [ 0.0000896700000000, 0.0010922200000000, 0.0002382200000000 ] - [ 0.0003849900000000, -0.0001066200000000, -0.0000686000000000 ] - [ 0.0027471200000000, 0.0006615600000000, -0.0014113400000000 ] - [ -0.0000360800000000, -0.0002252100000000, -0.0003306100000000 ] - [ 0.0001885400000000, -0.0014230100000000, -0.0006580900000000 ] - [ 0.0000372500000000, -0.0005901600000000, -0.0003245700000000 ] - [ 0.0001444600000000, 0.0004842800000000, 0.0003128500000000 ] - [ 0.0010402400000000, 0.0004392100000000, 0.0056365300000000 ] - [ 0.0002242000000000, 0.0003982900000000, -0.0000370700000000 ] - [ -0.0000593400000000, 0.0006312800000000, 0.0001749200000000 ] - [ 0.0001945000000000, 0.0002953600000000, -0.0006907500000000 ] - [ 0.0001626100000000, 0.0003005600000000, -0.0023641800000000 ] - [ 0.0002325700000000, 0.0003564100000000, -0.0003371200000000 ] - [ 0.0003217400000000, 0.0002466500000000, -0.0005338600000000 ] - [ -0.0004158100000000, -0.0005559600000000, -0.0000593000000000 ] - [ 0.0007966500000000, -0.0016806100000000, 0.0003389700000000 ] - [ -0.0003849900000000, -0.0001066200000000, -0.0000686000000000 ] - [ -0.0000896700000000, 0.0010922200000000, 0.0002382200000000 ] - [ 0.0000360800000000, -0.0002252100000000, -0.0003306100000000 ] - [ -0.0027471200000000, 0.0006615600000000, -0.0014113400000000 ] - [ -0.0000372500000000, -0.0005901600000000, -0.0003245700000000 ] - [ -0.0001885400000000, -0.0014230100000000, -0.0006580900000000 ] - [ -0.0010402400000000, 0.0004392100000000, 0.0056365300000000 ] - [ -0.0001444600000000, 0.0004842800000000, 0.0003128500000000 ] - [ 0.0000593400000000, 0.0006312800000000, 0.0001749200000000 ] - [ -0.0002242000000000, 0.0003982900000000, -0.0000370700000000 ] - [ -0.0001626100000000, 0.0003005600000000, -0.0023641800000000 ] - [ -0.0001945000000000, 0.0002953600000000, -0.0006907500000000 ] - [ -0.0003217400000000, 0.0002466500000000, -0.0005338600000000 ] - [ -0.0002325700000000, 0.0003564100000000, -0.0003371200000000 ] - [ 0.0000000000000000, 0.0456748500000000, -0.1020225600000000 ] - [ 0.0000000000000000, 0.0001949800000000, -0.0012691400000000 ] - [ 0.0000000000000000, -0.0001937300000000, -0.0012629800000000 ] - [ 0.0000000000000000, 0.0000073200000000, -0.0008276300000000 ] - [ 0.0000000000000000, -0.0006481300000000, 0.0042753000000000 ] - [ 0.0000000000000000, -0.0000533200000000, 0.0000303900000000 ] - [ 0.0000000000000000, -0.0002391700000000, 0.0001543000000000 ] - [ 0.0000000000000000, -0.0000709300000000, -0.0003537300000000 ] - [ 0.0000000000000000, -0.0161300100000000, 0.0128363900000000 ] - [ 0.0000000000000000, -0.0008019600000000, 0.0000405600000000 ] - [ 0.0000000000000000, 0.0001250500000000, -0.0002009900000000 ] - [ 0.0000000000000000, -0.0005733800000000, 0.0001571600000000 ] - [ 0.0000000000000000, 0.0044962900000000, 0.0091050600000000 ] - [ 0.0000000000000000, -0.0004548500000000, 0.0006656900000000 ] - [ 0.0000000000000000, -0.0017365200000000, 0.0009276900000000 ] - [ 0.0000000000000000, -0.0008795500000000, 0.0005170100000000 ] - [ -0.0013828300000000, -0.0005946300000000, -0.0004839100000000 ] - [ 0.0013828300000000, -0.0005946300000000, -0.0004839100000000 ] - [ -0.0002670200000000, 0.0001288300000000, -0.0006216100000000 ] - [ 0.0002670200000000, 0.0001288300000000, -0.0006216100000000 ] - [ 0.0010519800000000, 0.0010345100000000, -0.0004941000000000 ] - [ -0.0010519800000000, 0.0010345100000000, -0.0004941000000000 ] - [ 0.0002221800000000, -0.0004794200000000, -0.0006249700000000 ] - [ -0.0002221800000000, -0.0004794200000000, -0.0006249700000000 ] - [ 0.0010782500000000, 0.0009617500000000, -0.0020139800000000 ] - [ -0.0010782500000000, 0.0009617500000000, -0.0020139800000000 ] - [ 0.0000006800000000, 0.0006186000000000, -0.0000506900000000 ] - [ -0.0000006800000000, 0.0006186000000000, -0.0000506900000000 ] - [ -0.0004107900000000, 0.0003944900000000, 0.0025275500000000 ] - [ 0.0004107900000000, 0.0003944900000000, 0.0025275500000000 ] - [ -0.0000895800000000, 0.0005855600000000, 0.0008440500000000 ] - [ 0.0000895800000000, 0.0005855600000000, 0.0008440500000000 ] - [ -0.0062522000000000, 0.0014520100000000, 0.0038341500000000 ] - [ 0.0012999100000000, -0.0003686800000000, 0.0000043900000000 ] - [ -0.0010948600000000, -0.0012040700000000, 0.0002378700000000 ] - [ 0.0001755400000000, -0.0003948700000000, 0.0000910800000000 ] - [ 0.0069511900000000, -0.0023285100000000, 0.0039983300000000 ] - [ -0.0017779000000000, -0.0003063000000000, 0.0000159300000000 ] - [ 0.0001166600000000, -0.0001040900000000, -0.0001164200000000 ] - [ -0.0003441500000000, -0.0003439400000000, 0.0000755100000000 ] - [ 0.0001460400000000, 0.0018440800000000, -0.0055631000000000 ] - [ 0.0001921700000000, 0.0004243800000000, -0.0002635900000000 ] - [ 0.0003582700000000, -0.0001388500000000, -0.0015134600000000 ] - [ 0.0001406300000000, 0.0002417600000000, -0.0002460100000000 ] - [ 0.0006525200000000, 0.0004639500000000, 0.0030060400000000 ] - [ 0.0002334000000000, 0.0003453400000000, 0.0004282500000000 ] - [ 0.0001551400000000, 0.0003244300000000, 0.0011623600000000 ] - [ 0.0001757400000000, 0.0003719400000000, 0.0003888700000000 ] - [ -0.0001921700000000, 0.0004243800000000, -0.0002635900000000 ] - [ -0.0001460400000000, 0.0018440800000000, -0.0055631000000000 ] - [ -0.0001406300000000, 0.0002417600000000, -0.0002460100000000 ] - [ -0.0003582700000000, -0.0001388500000000, -0.0015134600000000 ] - [ -0.0002334000000000, 0.0003453400000000, 0.0004282500000000 ] - [ -0.0006525200000000, 0.0004639500000000, 0.0030060400000000 ] - [ -0.0001757400000000, 0.0003719400000000, 0.0003888700000000 ] - [ -0.0001551400000000, 0.0003244300000000, 0.0011623600000000 ] - [ -0.0012999100000000, -0.0003686800000000, 0.0000043900000000 ] - [ 0.0062522000000000, 0.0014520100000000, 0.0038341500000000 ] - [ -0.0001755400000000, -0.0003948700000000, 0.0000910800000000 ] - [ 0.0010948600000000, -0.0012040700000000, 0.0002378700000000 ] - [ 0.0017779000000000, -0.0003063000000000, 0.0000159300000000 ] - [ -0.0069511900000000, -0.0023285100000000, 0.0039983300000000 ] - [ 0.0003441500000000, -0.0003439400000000, 0.0000755100000000 ] - [ -0.0001166600000000, -0.0001040900000000, -0.0001164200000000 ] - [ 0.0000000000000000, -0.0306488900000000, 0.0347717500000000 ] - [ 0.0000000000000000, -0.0003621600000000, 0.0003817300000000 ] - [ 0.0000000000000000, -0.0004406600000000, 0.0015082700000000 ] - [ 0.0000000000000000, -0.0001259400000000, 0.0001876500000000 ] - [ 0.0000000000000000, 0.0011017000000000, -0.0090089000000000 ] - [ 0.0000000000000000, -0.0000886100000000, -0.0008651400000000 ] - [ 0.0000000000000000, 0.0004575700000000, -0.0015756400000000 ] - [ 0.0000000000000000, 0.0000157700000000, -0.0006183400000000 ] - [ -0.0055726900000000, -0.0021667300000000, 0.0021000300000000 ] - [ 0.0055726900000000, -0.0021667300000000, 0.0021000300000000 ] - [ -0.0001887100000000, 0.0003073100000000, 0.0001688200000000 ] - [ 0.0001887100000000, 0.0003073100000000, 0.0001688200000000 ] - [ 0.0042018800000000, 0.0020359700000000, -0.0026318300000000 ] - [ -0.0042018800000000, 0.0020359700000000, -0.0026318300000000 ] - [ 0.0006816300000000, 0.0003627300000000, -0.0008958700000000 ] - [ -0.0006816300000000, 0.0003627300000000, -0.0008958700000000 ] - [ 0.0006895800000000, 0.0003995500000000, 0.0023716500000000 ] - [ -0.0006895800000000, 0.0003995500000000, 0.0023716500000000 ] - [ 0.0000252500000000, 0.0004863900000000, 0.0014205500000000 ] - [ -0.0000252500000000, 0.0004863900000000, 0.0014205500000000 ] - [ -0.0002257400000000, 0.0005970800000000, -0.0005477300000000 ] - [ 0.0002257400000000, 0.0005970800000000, -0.0005477300000000 ] - [ -0.0001512800000000, 0.0009175900000000, 0.0000163000000000 ] - [ 0.0001512800000000, 0.0009175900000000, 0.0000163000000000 ] - [ 0.0000000000000000, -0.0044216000000000, 0.0436241500000000 ] - [ 0.0000000000000000, -0.0010374400000000, 0.0010565400000000 ] - [ 0.0000000000000000, -0.0006852800000000, 0.0012563000000000 ] - [ 0.0000000000000000, -0.0005858200000000, 0.0008492900000000 ] - [ 0.0000000000000000, -0.0041802000000000, -0.0083904700000000 ] - [ 0.0000000000000000, -0.0002018000000000, 0.0003749100000000 ] - [ 0.0000000000000000, 0.0005585200000000, 0.0000819500000000 ] - [ 0.0000000000000000, -0.0004569100000000, 0.0005724900000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0012192800000000, 0.0009170900000000, -0.0007093800000000 ] - [ 0.0000136700000000, -0.0001998000000000, -0.0003284900000000 ] - [ 0.0003349300000000, -0.0018378600000000, -0.0006253300000000 ] - [ 0.0000425400000000, -0.0006447500000000, -0.0003213600000000 ] - [ -0.0023191200000000, -0.0014162000000000, 0.0010136000000000 ] - [ 0.0004621200000000, -0.0005287900000000, -0.0000618000000000 ] - [ 0.0002370800000000, 0.0006752500000000, 0.0002667300000000 ] - [ 0.0003919100000000, -0.0001604300000000, -0.0000668900000000 ] - [ 0.0002850300000000, 0.0002704300000000, -0.0007073900000000 ] - [ -0.0006070000000000, 0.0003049000000000, -0.0059951100000000 ] - [ 0.0002044000000000, 0.0003585700000000, -0.0003551300000000 ] - [ 0.0004858800000000, 0.0001434800000000, -0.0005746100000000 ] - [ 0.0002324900000000, 0.0004601300000000, 0.0002999200000000 ] - [ 0.0002669900000000, 0.0004560100000000, 0.0019699900000000 ] - [ 0.0001952700000000, 0.0004006300000000, -0.0000524800000000 ] - [ 0.0001066300000000, 0.0005062000000000, 0.0001443900000000 ] - [ -0.0000136700000000, -0.0001998000000000, -0.0003284900000000 ] - [ -0.0012192800000000, 0.0009170900000000, -0.0007093800000000 ] - [ -0.0000425400000000, -0.0006447500000000, -0.0003213600000000 ] - [ -0.0003349300000000, -0.0018378600000000, -0.0006253300000000 ] - [ -0.0004621200000000, -0.0005287900000000, -0.0000618000000000 ] - [ 0.0023191200000000, -0.0014162000000000, 0.0010136000000000 ] - [ -0.0003919100000000, -0.0001604300000000, -0.0000668900000000 ] - [ -0.0002370800000000, 0.0006752500000000, 0.0002667300000000 ] - [ 0.0006070000000000, 0.0003049000000000, -0.0059951100000000 ] - [ -0.0002850300000000, 0.0002704300000000, -0.0007073900000000 ] - [ -0.0004858800000000, 0.0001434800000000, -0.0005746100000000 ] - [ -0.0002044000000000, 0.0003585700000000, -0.0003551300000000 ] - [ -0.0002669900000000, 0.0004560100000000, 0.0019699900000000 ] - [ -0.0002324900000000, 0.0004601300000000, 0.0002999200000000 ] - [ -0.0001066300000000, 0.0005062000000000, 0.0001443900000000 ] - [ -0.0001952700000000, 0.0004006300000000, -0.0000524800000000 ] - [ 0.0000000000000000, -0.0451931600000000, 0.0975055000000000 ] - [ 0.0000000000000000, -0.0001652100000000, 0.0000766700000000 ] - [ 0.0000000000000000, 0.0002069800000000, 0.0000733800000000 ] - [ 0.0000000000000000, 0.0000162800000000, -0.0003639200000000 ] - [ 0.0000000000000000, 0.0006681600000000, -0.0054672600000000 ] - [ 0.0000000000000000, 0.0000769200000000, -0.0012219500000000 ] - [ 0.0000000000000000, 0.0002678600000000, -0.0013466500000000 ] - [ 0.0000000000000000, 0.0000917000000000, -0.0008381900000000 ] - [ 0.0000000000000000, 0.0150304700000000, -0.0122834700000000 ] - [ 0.0000000000000000, -0.0005548700000000, 0.0006571000000000 ] - [ 0.0000000000000000, -0.0014894900000000, 0.0009007200000000 ] - [ 0.0000000000000000, -0.0007883900000000, 0.0005380200000000 ] - [ 0.0000000000000000, -0.0057656200000000, -0.0083366400000000 ] - [ 0.0000000000000000, -0.0009045400000000, 0.0000269500000000 ] - [ 0.0000000000000000, 0.0003682800000000, -0.0002340400000000 ] - [ 0.0000000000000000, -0.0004815300000000, 0.0001732900000000 ] - [ 0.0013854200000000, 0.0005802000000000, -0.0006985300000000 ] - [ -0.0013854200000000, 0.0005802000000000, -0.0006985300000000 ] - [ 0.0002672900000000, -0.0001553600000000, -0.0005694100000000 ] - [ -0.0002672900000000, -0.0001553600000000, -0.0005694100000000 ] - [ -0.0010506900000000, -0.0010536000000000, -0.0007098100000000 ] - [ 0.0010506900000000, -0.0010536000000000, -0.0007098100000000 ] - [ -0.0002216500000000, 0.0004520000000000, -0.0005720700000000 ] - [ 0.0002216500000000, 0.0004520000000000, -0.0005720700000000 ] - [ -0.0010975600000000, 0.0004054100000000, 0.0026916900000000 ] - [ 0.0010975600000000, 0.0004054100000000, 0.0026916900000000 ] - [ -0.0000039100000000, 0.0007312300000000, 0.0007393900000000 ] - [ 0.0000039100000000, 0.0007312300000000, 0.0007393900000000 ] - [ 0.0004153200000000, 0.0009695600000000, -0.0018344700000000 ] - [ -0.0004153200000000, 0.0009695600000000, -0.0018344700000000 ] - [ 0.0000912400000000, 0.0007735000000000, -0.0001497800000000 ] - [ -0.0000912400000000, 0.0007735000000000, -0.0001497800000000 ] - [ 0.0059654300000000, -0.0021896300000000, -0.0036995200000000 ] - [ -0.0016608900000000, -0.0003401700000000, 0.0001498700000000 ] - [ 0.0007473000000000, 0.0004950100000000, -0.0000793000000000 ] - [ -0.0005272600000000, -0.0003162300000000, 0.0000643200000000 ] - [ -0.0072244000000000, 0.0015838100000000, -0.0038038400000000 ] - [ 0.0014183300000000, -0.0004041200000000, 0.0001299700000000 ] - [ -0.0004689800000000, -0.0006090500000000, 0.0002609300000000 ] - [ -0.0000064700000000, -0.0003629200000000, 0.0000760900000000 ] - [ 0.0001605700000000, -0.0012130500000000, 0.0057129000000000 ] - [ 0.0001637200000000, 0.0002858100000000, 0.0004116900000000 ] - [ -0.0000043500000000, 0.0008487500000000, 0.0016612000000000 ] - [ 0.0002109900000000, 0.0004649400000000, 0.0004000100000000 ] - [ -0.0002898700000000, 0.0002482000000000, -0.0028468100000000 ] - [ 0.0001194200000000, 0.0003673600000000, -0.0002731600000000 ] - [ 0.0001932500000000, 0.0003744500000000, -0.0010119100000000 ] - [ 0.0001754100000000, 0.0003339400000000, -0.0002362000000000 ] - [ -0.0001637200000000, 0.0002858100000000, 0.0004116900000000 ] - [ -0.0001605700000000, -0.0012130500000000, 0.0057129000000000 ] - [ -0.0002109900000000, 0.0004649400000000, 0.0004000100000000 ] - [ 0.0000043500000000, 0.0008487500000000, 0.0016612000000000 ] - [ -0.0001194200000000, 0.0003673600000000, -0.0002731600000000 ] - [ 0.0002898700000000, 0.0002482000000000, -0.0028468100000000 ] - [ -0.0001754100000000, 0.0003339400000000, -0.0002362000000000 ] - [ -0.0001932500000000, 0.0003744500000000, -0.0010119100000000 ] - [ 0.0016608900000000, -0.0003401700000000, 0.0001498700000000 ] - [ -0.0059654300000000, -0.0021896300000000, -0.0036995200000000 ] - [ 0.0005272600000000, -0.0003162300000000, 0.0000643200000000 ] - [ -0.0007473000000000, 0.0004950100000000, -0.0000793000000000 ] - [ -0.0014183300000000, -0.0004041200000000, 0.0001299700000000 ] - [ 0.0072244000000000, 0.0015838100000000, -0.0038038400000000 ] - [ 0.0000064700000000, -0.0003629200000000, 0.0000760900000000 ] - [ 0.0004689800000000, -0.0006090500000000, 0.0002609300000000 ] - [ 0.0000000000000000, 0.0303229700000000, -0.0348661000000000 ] - [ 0.0000000000000000, 0.0001047800000000, -0.0008683500000000 ] - [ 0.0000000000000000, 0.0001917900000000, -0.0019868300000000 ] - [ 0.0000000000000000, -0.0001272800000000, -0.0006648300000000 ] - [ 0.0000000000000000, -0.0013420000000000, 0.0085077700000000 ] - [ 0.0000000000000000, -0.0001666700000000, 0.0003915800000000 ] - [ 0.0000000000000000, -0.0007018200000000, 0.0011001700000000 ] - [ 0.0000000000000000, -0.0002667700000000, 0.0001426200000000 ] - [ 0.0055492500000000, 0.0024040400000000, -0.0025472800000000 ] - [ -0.0055492500000000, 0.0024040400000000, -0.0025472800000000 ] - [ 0.0001929000000000, -0.0000497900000000, -0.0006347600000000 ] - [ -0.0001929000000000, -0.0000497900000000, -0.0006347600000000 ] - [ -0.0042176400000000, -0.0018051000000000, 0.0021499100000000 ] - [ 0.0042176400000000, -0.0018051000000000, 0.0021499100000000 ] - [ -0.0006811800000000, -0.0001107200000000, 0.0004128900000000 ] - [ 0.0006811800000000, -0.0001107200000000, 0.0004128900000000 ] - [ -0.0006584900000000, 0.0007192800000000, -0.0009358600000000 ] - [ 0.0006584900000000, 0.0007192800000000, -0.0009358600000000 ] - [ -0.0000237300000000, 0.0006469000000000, 0.0000273700000000 ] - [ 0.0000237300000000, 0.0006469000000000, 0.0000273700000000 ] - [ 0.0002201800000000, 0.0005315600000000, 0.0020005600000000 ] - [ -0.0002201800000000, 0.0005315600000000, 0.0020005600000000 ] - [ 0.0001486200000000, 0.0002179300000000, 0.0014352200000000 ] - [ -0.0001486200000000, 0.0002179300000000, 0.0014352200000000 ] - [ 0.0000000000000000, 0.0028726500000000, -0.0392048100000000 ] - [ 0.0000000000000000, -0.0000970600000000, 0.0003985500000000 ] - [ 0.0000000000000000, -0.0004412600000000, 0.0002067700000000 ] - [ 0.0000000000000000, -0.0005441600000000, 0.0006035400000000 ] - [ 0.0000000000000000, 0.0030567500000000, 0.0098272900000000 ] - [ 0.0000000000000000, -0.0009322600000000, 0.0010753800000000 ] - [ 0.0000000000000000, -0.0016963100000000, 0.0013641800000000 ] - [ 0.0000000000000000, -0.0006751200000000, 0.0008776100000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005365700000000, -0.0001684800000000, -0.0015950300000000 ] - [ -0.0001737700000000, -0.0003310500000000, -0.0000716600000000 ] - [ 0.0004120000000000, -0.0003411900000000, -0.0002156300000000 ] - [ 0.0000119200000000, -0.0004392600000000, -0.0001784300000000 ] - [ 0.0161362000000000, 0.0035964800000000, -0.0039462800000000 ] - [ -0.0009003600000000, 0.0001236800000000, -0.0003890500000000 ] - [ 0.0007216800000000, 0.0000797500000000, 0.0000257700000000 ] - [ -0.0001888900000000, -0.0005672000000000, -0.0002902000000000 ] - [ -0.0002599100000000, 0.0005179600000000, -0.0004006200000000 ] - [ 0.0007289300000000, -0.0002488100000000, 0.0006785500000000 ] - [ -0.0002055300000000, 0.0002095800000000, -0.0003031100000000 ] - [ 0.0004042400000000, 0.0022363500000000, 0.0001641300000000 ] - [ -0.0002189700000000, 0.0004892000000000, -0.0000828700000000 ] - [ 0.0006626000000000, 0.0002510000000000, -0.0004014000000000 ] - [ -0.0001048300000000, 0.0003090500000000, -0.0001311000000000 ] - [ 0.0005127100000000, 0.0007485400000000, -0.0003988200000000 ] - [ -0.0006023900000000, -0.0004194800000000, -0.0003181500000000 ] - [ 0.0001058600000000, -0.0005854600000000, 0.0012165900000000 ] - [ -0.0004174600000000, -0.0003136700000000, -0.0002135100000000 ] - [ -0.0000188900000000, -0.0004142700000000, -0.0001731000000000 ] - [ -0.0013355200000000, -0.0008800000000000, -0.0000026900000000 ] - [ 0.0148560000000000, -0.0039339000000000, 0.0030771400000000 ] - [ -0.0006190900000000, -0.0001843300000000, -0.0001005600000000 ] - [ 0.0002886900000000, -0.0008344400000000, -0.0004162500000000 ] - [ 0.0003131500000000, 0.0010023200000000, -0.0010779800000000 ] - [ -0.0006886900000000, 0.0002351100000000, 0.0000081100000000 ] - [ -0.0000214200000000, -0.0014771800000000, -0.0005596400000000 ] - [ -0.0006377100000000, 0.0005451100000000, -0.0000895200000000 ] - [ 0.0002354800000000, 0.0005062500000000, 0.0000131800000000 ] - [ -0.0006501000000000, 0.0002675600000000, -0.0003059000000000 ] - [ 0.0000836100000000, 0.0000049500000000, 0.0000095300000000 ] - [ -0.0005327800000000, 0.0004421000000000, -0.0002595800000000 ] - [ -0.0061277300000000, 0.0000462500000000, -0.0006395300000000 ] - [ 0.0007964600000000, 0.0000120200000000, -0.0005931200000000 ] - [ -0.0010592200000000, 0.0000120100000000, -0.0005939500000000 ] - [ 0.0005412600000000, 0.0000126900000000, -0.0005932400000000 ] - [ -0.0015932000000000, 0.0000122600000000, -0.0005993800000000 ] - [ 0.0007520400000000, 0.0000105700000000, -0.0005959500000000 ] - [ -0.0007854700000000, 0.0000154600000000, -0.0005953300000000 ] - [ 0.0005253100000000, 0.0000091200000000, -0.0005955400000000 ] - [ -0.0675328100000000, -0.0013120300000000, 0.0012905100000000 ] - [ 0.0014576600000000, -0.0006796700000000, 0.0003483200000000 ] - [ -0.0008991700000000, -0.0006812300000000, 0.0003506300000000 ] - [ 0.0006243800000000, -0.0006815700000000, 0.0003490800000000 ] - [ -0.0015097900000000, -0.0006855000000000, 0.0003404100000000 ] - [ 0.0006176900000000, -0.0006819400000000, 0.0003465800000000 ] - [ -0.0004264000000000, -0.0006814500000000, 0.0003475800000000 ] - [ 0.0003905000000000, -0.0006827400000000, 0.0003486000000000 ] - [ 0.0058585100000000, -0.0018698300000000, -0.0016894100000000 ] - [ 0.0057899800000000, 0.0018292000000000, 0.0004893400000000 ] - [ 0.0004663300000000, 0.0005584700000000, -0.0005953900000000 ] - [ 0.0004660900000000, -0.0005860200000000, -0.0005924600000000 ] - [ 0.0003595100000000, -0.0003961600000000, -0.0001844100000000 ] - [ 0.0003627300000000, 0.0003659800000000, -0.0010100000000000 ] - [ 0.0000552100000000, 0.0002088300000000, -0.0005045000000000 ] - [ 0.0000569400000000, -0.0002388600000000, -0.0006853900000000 ] - [ 0.0002200100000000, -0.0001398300000000, 0.0013066400000000 ] - [ 0.0002258500000000, 0.0015008800000000, -0.0006047900000000 ] - [ 0.0004015100000000, 0.0013028200000000, 0.0006935800000000 ] - [ 0.0004037800000000, 0.0000584400000000, 0.0000041500000000 ] - [ 0.0002198300000000, 0.0000528200000000, -0.0007635000000000 ] - [ 0.0002213700000000, 0.0013025800000000, 0.0014529100000000 ] - [ 0.0004034900000000, 0.0010557200000000, -0.0002906900000000 ] - [ 0.0004013400000000, 0.0003089700000000, 0.0009858300000000 ] - [ 0.0009294600000000, -0.0032471300000000, -0.0001632700000000 ] - [ 0.0014919300000000, 0.0005452100000000, -0.0000330200000000 ] - [ 0.0011648300000000, 0.0037175100000000, -0.0007655800000000 ] - [ 0.0010320400000000, -0.0006347600000000, 0.0001089600000000 ] - [ -0.0008653400000000, -0.0005213500000000, 0.0001409700000000 ] - [ 0.0003999200000000, -0.0001278400000000, -0.0000727300000000 ] - [ -0.0003902800000000, 0.0002914800000000, 0.0005057700000000 ] - [ 0.0003298400000000, -0.0004232600000000, -0.0000078700000000 ] - [ 0.0009413600000000, 0.0028213800000000, 0.0119296300000000 ] - [ 0.0019241800000000, 0.0003626300000000, -0.0000532400000000 ] - [ -0.0005888500000000, 0.0001559900000000, 0.0002093100000000 ] - [ 0.0008733800000000, 0.0004961900000000, 0.0000431400000000 ] - [ -0.0010861300000000, 0.0005990400000000, -0.0030992200000000 ] - [ 0.0014182100000000, 0.0003125100000000, 0.0004722800000000 ] - [ -0.0005234900000000, 0.0001513200000000, -0.0001852800000000 ] - [ 0.0008376900000000, 0.0005046900000000, 0.0002367500000000 ] - [ 0.0015707400000000, 0.0003456400000000, 0.0002084000000000 ] - [ 0.0006304500000000, -0.0020949000000000, -0.0117277100000000 ] - [ 0.0005198100000000, 0.0002080800000000, 0.0001075100000000 ] - [ -0.0009364300000000, 0.0005513000000000, -0.0000562600000000 ] - [ 0.0010661900000000, 0.0003968300000000, -0.0003210100000000 ] - [ -0.0014359500000000, 0.0001082200000000, 0.0032333000000000 ] - [ 0.0004832700000000, 0.0002015500000000, -0.0000852000000000 ] - [ -0.0008733700000000, 0.0005521300000000, 0.0003335400000000 ] - [ 0.0018457900000000, -0.0012641300000000, 0.0001888200000000 ] - [ 0.0013022000000000, 0.0025276200000000, 0.0003128000000000 ] - [ 0.0013843100000000, -0.0000719300000000, 0.0000441500000000 ] - [ 0.0015180700000000, -0.0044069400000000, 0.0009195200000000 ] - [ 0.0007484300000000, -0.0005778700000000, 0.0002255700000000 ] - [ -0.0005030200000000, -0.0001827400000000, 0.0000037900000000 ] - [ 0.0006788700000000, -0.0002782500000000, 0.0001572000000000 ] - [ -0.0000358800000000, -0.0009993600000000, -0.0003556800000000 ] - [ 0.0285595400000000, -0.0000852200000000, -0.0007089200000000 ] - [ -0.0024146200000000, -0.0001244800000000, -0.0002468100000000 ] - [ 0.0012311800000000, -0.0001246900000000, -0.0002444300000000 ] - [ -0.0011099700000000, -0.0001229600000000, -0.0002424400000000 ] - [ 0.0047601500000000, -0.0001208200000000, -0.0002252200000000 ] - [ -0.0017736100000000, -0.0001265900000000, -0.0002361800000000 ] - [ 0.0011084700000000, -0.0001230700000000, -0.0002401000000000 ] - [ -0.0010123400000000, -0.0001231700000000, -0.0002402700000000 ] - [ 0.0000246200000000, 0.0009931200000000, -0.0011738500000000 ] - [ 0.0000135700000000, -0.0007410000000000, 0.0006910600000000 ] - [ -0.0005009000000000, -0.0002604900000000, -0.0007735600000000 ] - [ -0.0005051200000000, 0.0005104500000000, 0.0002956700000000 ] - [ -0.0024334100000000, 0.0041021900000000, 0.0015417900000000 ] - [ -0.0024297000000000, -0.0038108500000000, -0.0020172400000000 ] - [ -0.0019979100000000, -0.0008080000000000, 0.0005824400000000 ] - [ -0.0019974100000000, 0.0010530100000000, -0.0010640500000000 ] - [ -0.0041552300000000, 0.0013859800000000, -0.0016493900000000 ] - [ -0.0041523300000000, -0.0002621700000000, 0.0030652100000000 ] - [ -0.0000782100000000, 0.0003503900000000, 0.0002938400000000 ] - [ -0.0000821000000000, 0.0007795200000000, 0.0011562600000000 ] - [ -0.0006799500000000, 0.0003540000000000, 0.0016212200000000 ] - [ -0.0006783700000000, 0.0007761000000000, -0.0001566100000000 ] - [ -0.0000282900000000, 0.0003182400000000, 0.0008845200000000 ] - [ -0.0000301300000000, 0.0008111800000000, 0.0005702100000000 ] - [ 0.0007915200000000, -0.0005657800000000, 0.0007453600000000 ] - [ -0.0008232000000000, -0.0005650200000000, 0.0007259100000000 ] - [ 0.0013189300000000, -0.0005658300000000, 0.0007272800000000 ] - [ -0.0007080600000000, -0.0005652700000000, 0.0007260400000000 ] - [ 0.0035932200000000, -0.0004460500000000, 0.0007599600000000 ] - [ -0.0019103100000000, -0.0005641900000000, 0.0007271700000000 ] - [ 0.0033217400000000, -0.0005651000000000, 0.0007242100000000 ] - [ -0.0011913300000000, -0.0005667700000000, 0.0007261200000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004229100000000, -0.0000115600000000, -0.0011284400000000 ] - [ 0.0002831400000000, -0.0002262200000000, -0.0002694000000000 ] - [ 0.0002910100000000, -0.0008827000000000, -0.0001652900000000 ] - [ 0.0001898100000000, -0.0005624500000000, -0.0002071400000000 ] - [ 0.0034906900000000, 0.0060578900000000, -0.0011093300000000 ] - [ 0.0002320700000000, 0.0000839400000000, -0.0001556700000000 ] - [ 0.0002828700000000, -0.0022296300000000, -0.0004365300000000 ] - [ 0.0001851600000000, -0.0008633800000000, -0.0002164100000000 ] - [ 0.0003888100000000, 0.0002845400000000, 0.0000260800000000 ] - [ -0.0010321600000000, -0.0005944000000000, 0.0006901800000000 ] - [ 0.0000261900000000, 0.0004163400000000, -0.0003638600000000 ] - [ 0.0013272700000000, -0.0011905600000000, -0.0017009300000000 ] - [ 0.0003998100000000, 0.0002116000000000, -0.0002700200000000 ] - [ -0.0003874600000000, -0.0001051300000000, -0.0005959800000000 ] - [ 0.0000553700000000, 0.0005242100000000, -0.0001262900000000 ] - [ 0.0002736500000000, 0.0003924300000000, 0.0001994200000000 ] - [ -0.0002831400000000, -0.0002262200000000, -0.0002694000000000 ] - [ -0.0004229100000000, -0.0000115600000000, -0.0011284400000000 ] - [ -0.0001898100000000, -0.0005624500000000, -0.0002071400000000 ] - [ -0.0002910100000000, -0.0008827000000000, -0.0001652900000000 ] - [ -0.0002320700000000, 0.0000839400000000, -0.0001556700000000 ] - [ -0.0034906900000000, 0.0060578900000000, -0.0011093300000000 ] - [ -0.0001851600000000, -0.0008633800000000, -0.0002164100000000 ] - [ -0.0002828700000000, -0.0022296300000000, -0.0004365300000000 ] - [ 0.0010321600000000, -0.0005944000000000, 0.0006901800000000 ] - [ -0.0003888100000000, 0.0002845400000000, 0.0000260800000000 ] - [ -0.0013272700000000, -0.0011905600000000, -0.0017009300000000 ] - [ -0.0000261900000000, 0.0004163400000000, -0.0003638600000000 ] - [ 0.0003874600000000, -0.0001051300000000, -0.0005959800000000 ] - [ -0.0003998100000000, 0.0002116000000000, -0.0002700200000000 ] - [ -0.0002736500000000, 0.0003924300000000, 0.0001994200000000 ] - [ -0.0000553700000000, 0.0005242100000000, -0.0001262900000000 ] - [ 0.0000000000000000, 0.0037637900000000, -0.0161027400000000 ] - [ 0.0000000000000000, -0.0003262900000000, -0.0007173500000000 ] - [ 0.0000000000000000, 0.0020792000000000, 0.0002184100000000 ] - [ 0.0000000000000000, 0.0002703600000000, -0.0004871300000000 ] - [ 0.0000000000000000, -0.0014355400000000, 0.0045204600000000 ] - [ 0.0000000000000000, -0.0003030500000000, -0.0003719700000000 ] - [ 0.0000000000000000, 0.0012631500000000, -0.0016515600000000 ] - [ 0.0000000000000000, 0.0002828300000000, -0.0007957900000000 ] - [ 0.0000000000000000, -0.0875180600000000, 0.0053233600000000 ] - [ 0.0000000000000000, -0.0012716300000000, 0.0001347300000000 ] - [ 0.0000000000000000, 0.0017594000000000, 0.0006006300000000 ] - [ 0.0000000000000000, -0.0001617100000000, 0.0004285500000000 ] - [ 0.0000000000000000, -0.0027145200000000, 0.0001865000000000 ] - [ 0.0000000000000000, -0.0009508600000000, 0.0003796000000000 ] - [ 0.0000000000000000, 0.0002225400000000, 0.0003886300000000 ] - [ 0.0000000000000000, -0.0004319000000000, 0.0003606500000000 ] - [ -0.0005975000000000, -0.0024739200000000, -0.0008689300000000 ] - [ 0.0005975000000000, -0.0024739200000000, -0.0008689300000000 ] - [ 0.0004927200000000, 0.0021516400000000, -0.0005379900000000 ] - [ -0.0004927200000000, 0.0021516400000000, -0.0005379900000000 ] - [ 0.0001143900000000, -0.0009014300000000, -0.0003104100000000 ] - [ -0.0001143900000000, -0.0009014300000000, -0.0003104100000000 ] - [ -0.0000424400000000, 0.0005056100000000, -0.0005013000000000 ] - [ 0.0000424400000000, 0.0005056100000000, -0.0005013000000000 ] - [ -0.0006259800000000, -0.0000886000000000, 0.0001055000000000 ] - [ 0.0006259800000000, -0.0000886000000000, 0.0001055000000000 ] - [ 0.0003726000000000, 0.0012586500000000, 0.0007744400000000 ] - [ -0.0003726000000000, 0.0012586500000000, 0.0007744400000000 ] - [ -0.0008188400000000, -0.0000896700000000, 0.0012571000000000 ] - [ 0.0008188400000000, -0.0000896700000000, 0.0012571000000000 ] - [ 0.0006254400000000, 0.0012636300000000, -0.0006578200000000 ] - [ -0.0006254400000000, 0.0012636300000000, -0.0006578200000000 ] - [ -0.0074423400000000, 0.0036020500000000, 0.0004821800000000 ] - [ 0.0013447400000000, -0.0004935300000000, 0.0000642600000000 ] - [ 0.0051608800000000, 0.0044972100000000, -0.0015294900000000 ] - [ -0.0015046200000000, -0.0003694200000000, -0.0000000400000000 ] - [ -0.0016127100000000, -0.0001056600000000, -0.0002505500000000 ] - [ 0.0002172200000000, -0.0003492000000000, 0.0000863700000000 ] - [ -0.0000267600000000, -0.0001466600000000, 0.0002875200000000 ] - [ -0.0003632600000000, -0.0003965100000000, 0.0001302400000000 ] - [ 0.0047598600000000, -0.0033429200000000, 0.0079035800000000 ] - [ -0.0000842200000000, -0.0000025200000000, -0.0000101200000000 ] - [ 0.0001836100000000, 0.0018376200000000, 0.0000395300000000 ] - [ 0.0002134900000000, 0.0006771800000000, 0.0001058900000000 ] - [ 0.0006912900000000, -0.0013968000000000, -0.0022172200000000 ] - [ 0.0001310700000000, -0.0000307900000000, 0.0000371500000000 ] - [ 0.0000612200000000, 0.0015973900000000, 0.0005033700000000 ] - [ 0.0001914200000000, 0.0007437900000000, 0.0001314100000000 ] - [ 0.0000842200000000, -0.0000025200000000, -0.0000101200000000 ] - [ -0.0047598600000000, -0.0033429200000000, 0.0079035800000000 ] - [ -0.0002134900000000, 0.0006771800000000, 0.0001058900000000 ] - [ -0.0001836100000000, 0.0018376200000000, 0.0000395300000000 ] - [ -0.0001310700000000, -0.0000307900000000, 0.0000371500000000 ] - [ -0.0006912900000000, -0.0013968000000000, -0.0022172200000000 ] - [ -0.0001914200000000, 0.0007437900000000, 0.0001314100000000 ] - [ -0.0000612200000000, 0.0015973900000000, 0.0005033700000000 ] - [ -0.0013447400000000, -0.0004935300000000, 0.0000642600000000 ] - [ 0.0074423400000000, 0.0036020500000000, 0.0004821800000000 ] - [ 0.0015046200000000, -0.0003694200000000, -0.0000000400000000 ] - [ -0.0051608800000000, 0.0044972100000000, -0.0015294900000000 ] - [ -0.0002172200000000, -0.0003492000000000, 0.0000863700000000 ] - [ 0.0016127100000000, -0.0001056600000000, -0.0002505500000000 ] - [ 0.0003632600000000, -0.0003965100000000, 0.0001302400000000 ] - [ 0.0000267600000000, -0.0001466600000000, 0.0002875200000000 ] - [ 0.0000000000000000, 0.0275165800000000, -0.0167969900000000 ] - [ 0.0000000000000000, 0.0006003800000000, 0.0001101200000000 ] - [ 0.0000000000000000, -0.0029698000000000, -0.0003824500000000 ] - [ 0.0000000000000000, -0.0006249900000000, -0.0003502100000000 ] - [ 0.0000000000000000, 0.0054821300000000, 0.0011801100000000 ] - [ 0.0000000000000000, 0.0004302500000000, -0.0002473500000000 ] - [ 0.0000000000000000, -0.0022635600000000, -0.0003225300000000 ] - [ 0.0000000000000000, -0.0006183800000000, -0.0002512600000000 ] - [ 0.0011847700000000, 0.0012434700000000, -0.0003615600000000 ] - [ -0.0011847700000000, 0.0012434700000000, -0.0003615600000000 ] - [ -0.0003834500000000, -0.0004214900000000, -0.0005899700000000 ] - [ 0.0003834500000000, -0.0004214900000000, -0.0005899700000000 ] - [ 0.0049673300000000, 0.0034532000000000, -0.0021415500000000 ] - [ -0.0049673300000000, 0.0034532000000000, -0.0021415500000000 ] - [ -0.0034211500000000, -0.0019989000000000, 0.0014777700000000 ] - [ 0.0034211500000000, -0.0019989000000000, 0.0014777700000000 ] - [ -0.0015504800000000, 0.0026556400000000, 0.0014701100000000 ] - [ 0.0015504800000000, 0.0026556400000000, 0.0014701100000000 ] - [ 0.0002383400000000, -0.0004803200000000, 0.0005866500000000 ] - [ -0.0002383400000000, -0.0004803200000000, 0.0005866500000000 ] - [ -0.0002921400000000, 0.0016111800000000, 0.0006412500000000 ] - [ 0.0002921400000000, 0.0016111800000000, 0.0006412500000000 ] - [ 0.0002215000000000, -0.0002854600000000, 0.0008216800000000 ] - [ -0.0002215000000000, -0.0002854600000000, 0.0008216800000000 ] - [ 0.0000000000000000, -0.0002775400000000, 0.0037813400000000 ] - [ 0.0000000000000000, -0.0004042100000000, 0.0006642500000000 ] - [ 0.0000000000000000, -0.0010153300000000, 0.0002042800000000 ] - [ 0.0000000000000000, -0.0006741700000000, 0.0007039800000000 ] - [ 0.0000000000000000, 0.0380618800000000, 0.0129976300000000 ] - [ 0.0000000000000000, -0.0000795200000000, 0.0005257600000000 ] - [ 0.0000000000000000, -0.0067554300000000, 0.0026418100000000 ] - [ 0.0000000000000000, -0.0009947700000000, 0.0009275900000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000083600000000, -0.0007433500000000, 0.0007555400000000 ] - [ 0.0001480600000000, -0.0005255900000000, -0.0001208200000000 ] - [ 0.0001394000000000, 0.0001275400000000, -0.0002254100000000 ] - [ 0.0002407400000000, -0.0001920700000000, -0.0001837300000000 ] - [ -0.0029396000000000, -0.0068237200000000, 0.0006500000000000 ] - [ 0.0001939400000000, -0.0008339400000000, -0.0002338300000000 ] - [ 0.0001503700000000, 0.0014796700000000, 0.0000459500000000 ] - [ 0.0002467400000000, 0.0001092600000000, -0.0001738100000000 ] - [ 0.0000415600000000, 0.0004700900000000, -0.0004181000000000 ] - [ 0.0014611700000000, 0.0013458000000000, -0.0010889800000000 ] - [ 0.0004026700000000, 0.0003416100000000, -0.0000283700000000 ] - [ -0.0008873000000000, 0.0019520000000000, 0.0012903900000000 ] - [ 0.0000328900000000, 0.0005437800000000, -0.0001194700000000 ] - [ 0.0008194300000000, 0.0008595600000000, 0.0002081200000000 ] - [ 0.0003725900000000, 0.0002320900000000, -0.0002625300000000 ] - [ 0.0001586100000000, 0.0003660500000000, -0.0005857900000000 ] - [ -0.0001480600000000, -0.0005255900000000, -0.0001208200000000 ] - [ -0.0000083600000000, -0.0007433500000000, 0.0007555400000000 ] - [ -0.0002407400000000, -0.0001920700000000, -0.0001837300000000 ] - [ -0.0001394000000000, 0.0001275400000000, -0.0002254100000000 ] - [ -0.0001939400000000, -0.0008339400000000, -0.0002338300000000 ] - [ 0.0029396000000000, -0.0068237200000000, 0.0006500000000000 ] - [ -0.0002467400000000, 0.0001092600000000, -0.0001738100000000 ] - [ -0.0001503700000000, 0.0014796700000000, 0.0000459500000000 ] - [ -0.0014611700000000, 0.0013458000000000, -0.0010889800000000 ] - [ -0.0000415600000000, 0.0004700900000000, -0.0004181000000000 ] - [ 0.0008873000000000, 0.0019520000000000, 0.0012903900000000 ] - [ -0.0004026700000000, 0.0003416100000000, -0.0000283700000000 ] - [ -0.0008194300000000, 0.0008595600000000, 0.0002081200000000 ] - [ -0.0000328900000000, 0.0005437800000000, -0.0001194700000000 ] - [ -0.0001586100000000, 0.0003660500000000, -0.0005857900000000 ] - [ -0.0003725900000000, 0.0002320900000000, -0.0002625300000000 ] - [ 0.0000000000000000, -0.0037646900000000, 0.0150575700000000 ] - [ 0.0000000000000000, 0.0003518000000000, -0.0004713600000000 ] - [ 0.0000000000000000, -0.0020587300000000, -0.0013963300000000 ] - [ 0.0000000000000000, -0.0002423300000000, -0.0007017900000000 ] - [ 0.0000000000000000, 0.0014517300000000, -0.0057445800000000 ] - [ 0.0000000000000000, 0.0003301500000000, -0.0008202200000000 ] - [ 0.0000000000000000, -0.0012347300000000, 0.0004529900000000 ] - [ 0.0000000000000000, -0.0002599600000000, -0.0003967700000000 ] - [ 0.0000000000000000, 0.0886133000000000, -0.0026381200000000 ] - [ 0.0000000000000000, -0.0000879100000000, 0.0005595400000000 ] - [ 0.0000000000000000, -0.0031164800000000, 0.0000957600000000 ] - [ 0.0000000000000000, -0.0011987700000000, 0.0002709800000000 ] - [ 0.0000000000000000, 0.0013614700000000, 0.0004959900000000 ] - [ 0.0000000000000000, -0.0004103100000000, 0.0003159400000000 ] - [ 0.0000000000000000, -0.0015842500000000, 0.0003063100000000 ] - [ 0.0000000000000000, -0.0009293000000000, 0.0003332600000000 ] - [ 0.0005794500000000, 0.0024643900000000, -0.0003137900000000 ] - [ -0.0005794500000000, 0.0024643900000000, -0.0003137900000000 ] - [ -0.0004866700000000, -0.0021702800000000, -0.0006520600000000 ] - [ 0.0004866700000000, -0.0021702800000000, -0.0006520600000000 ] - [ -0.0001193300000000, 0.0008797100000000, -0.0008869100000000 ] - [ 0.0001193300000000, 0.0008797100000000, -0.0008869100000000 ] - [ 0.0000430400000000, -0.0005316000000000, -0.0006915500000000 ] - [ -0.0000430400000000, -0.0005316000000000, -0.0006915500000000 ] - [ 0.0006251000000000, 0.0014540100000000, 0.0005889300000000 ] - [ -0.0006251000000000, 0.0014540100000000, 0.0005889300000000 ] - [ -0.0003765400000000, 0.0000928800000000, -0.0000782300000000 ] - [ 0.0003765400000000, 0.0000928800000000, -0.0000782300000000 ] - [ 0.0008211100000000, 0.0014538000000000, -0.0005669100000000 ] - [ -0.0008211100000000, 0.0014538000000000, -0.0005669100000000 ] - [ -0.0006197900000000, 0.0000962100000000, 0.0013440600000000 ] - [ 0.0006197900000000, 0.0000962100000000, 0.0013440600000000 ] - [ 0.0071716700000000, -0.0043601800000000, -0.0003229400000000 ] - [ -0.0017069700000000, -0.0002140300000000, 0.0000913900000000 ] - [ -0.0054522900000000, -0.0051725400000000, 0.0016751800000000 ] - [ 0.0011405200000000, -0.0003426800000000, 0.0001540500000000 ] - [ 0.0012624500000000, -0.0006022000000000, 0.0004029400000000 ] - [ -0.0005676800000000, -0.0003582200000000, 0.0000642100000000 ] - [ -0.0003285500000000, -0.0005726800000000, -0.0001409300000000 ] - [ 0.0000113900000000, -0.0003152100000000, 0.0000231200000000 ] - [ -0.0044266400000000, 0.0040043500000000, -0.0077903300000000 ] - [ 0.0004423900000000, 0.0007117300000000, 0.0001646600000000 ] - [ 0.0001716600000000, -0.0011252200000000, 0.0001185800000000 ] - [ 0.0001357600000000, 0.0000284600000000, 0.0000463700000000 ] - [ -0.0003342100000000, 0.0021043200000000, 0.0023714200000000 ] - [ 0.0002207700000000, 0.0007389500000000, 0.0001156800000000 ] - [ 0.0002901500000000, -0.0008902300000000, -0.0003536500000000 ] - [ 0.0001596800000000, -0.0000353000000000, 0.0000224800000000 ] - [ -0.0004423900000000, 0.0007117300000000, 0.0001646600000000 ] - [ 0.0044266400000000, 0.0040043500000000, -0.0077903300000000 ] - [ -0.0001357600000000, 0.0000284600000000, 0.0000463700000000 ] - [ -0.0001716600000000, -0.0011252200000000, 0.0001185800000000 ] - [ -0.0002207700000000, 0.0007389500000000, 0.0001156800000000 ] - [ 0.0003342100000000, 0.0021043200000000, 0.0023714200000000 ] - [ -0.0001596800000000, -0.0000353000000000, 0.0000224800000000 ] - [ -0.0002901500000000, -0.0008902300000000, -0.0003536500000000 ] - [ 0.0017069700000000, -0.0002140300000000, 0.0000913900000000 ] - [ -0.0071716700000000, -0.0043601800000000, -0.0003229400000000 ] - [ -0.0011405200000000, -0.0003426800000000, 0.0001540500000000 ] - [ 0.0054522900000000, -0.0051725400000000, 0.0016751800000000 ] - [ 0.0005676800000000, -0.0003582200000000, 0.0000642100000000 ] - [ -0.0012624500000000, -0.0006022000000000, 0.0004029400000000 ] - [ -0.0000113900000000, -0.0003152100000000, 0.0000231200000000 ] - [ 0.0003285500000000, -0.0005726800000000, -0.0001409300000000 ] - [ 0.0000000000000000, -0.0275775700000000, 0.0154320400000000 ] - [ 0.0000000000000000, -0.0008580800000000, -0.0005956400000000 ] - [ 0.0000000000000000, 0.0027141400000000, -0.0001039900000000 ] - [ 0.0000000000000000, 0.0003745400000000, -0.0001339000000000 ] - [ 0.0000000000000000, -0.0057391300000000, -0.0016474400000000 ] - [ 0.0000000000000000, -0.0006846900000000, -0.0002330700000000 ] - [ 0.0000000000000000, 0.0020077700000000, -0.0001573900000000 ] - [ 0.0000000000000000, 0.0003689900000000, -0.0002301900000000 ] - [ -0.0011834700000000, -0.0009970500000000, -0.0001160700000000 ] - [ 0.0011834700000000, -0.0009970500000000, -0.0001160700000000 ] - [ 0.0003893600000000, 0.0006758600000000, 0.0001106200000000 ] - [ -0.0003893600000000, 0.0006758600000000, 0.0001106200000000 ] - [ -0.0049848600000000, -0.0032397800000000, 0.0016646300000000 ] - [ 0.0049848600000000, -0.0032397800000000, 0.0016646300000000 ] - [ 0.0034084500000000, 0.0022467100000000, -0.0019519400000000 ] - [ -0.0034084500000000, 0.0022467100000000, -0.0019519400000000 ] - [ 0.0015768100000000, -0.0015368300000000, -0.0000207000000000 ] - [ -0.0015768100000000, -0.0015368300000000, -0.0000207000000000 ] - [ -0.0002402200000000, 0.0016126400000000, 0.0008589100000000 ] - [ 0.0002402200000000, 0.0016126400000000, 0.0008589100000000 ] - [ 0.0002933900000000, -0.0004814800000000, 0.0008119600000000 ] - [ -0.0002933900000000, -0.0004814800000000, 0.0008119600000000 ] - [ -0.0002223900000000, 0.0014148700000000, 0.0006345000000000 ] - [ 0.0002223900000000, 0.0014148700000000, 0.0006345000000000 ] - [ 0.0000000000000000, -0.0008610000000000, -0.0023207400000000 ] - [ 0.0000000000000000, -0.0007287300000000, 0.0007885900000000 ] - [ 0.0000000000000000, -0.0001078400000000, 0.0012490500000000 ] - [ 0.0000000000000000, -0.0004564300000000, 0.0007490300000000 ] - [ 0.0000000000000000, -0.0415413700000000, -0.0125720700000000 ] - [ 0.0000000000000000, -0.0010569300000000, 0.0009273100000000 ] - [ 0.0000000000000000, 0.0055799300000000, -0.0011702500000000 ] - [ 0.0000000000000000, -0.0001389200000000, 0.0005258000000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001324900000000, -0.0002128000000000, -0.0037709900000000 ] - [ 0.0004327200000000, -0.0003756800000000, -0.0004977700000000 ] - [ 0.0001827500000000, -0.0001300700000000, -0.0004757400000000 ] - [ 0.0002906000000000, -0.0003118700000000, -0.0002624800000000 ] - [ -0.0035662600000000, -0.0014190200000000, 0.0075566200000000 ] - [ -0.0000269400000000, -0.0002851600000000, -0.0000193400000000 ] - [ 0.0002910400000000, -0.0010990900000000, -0.0001407100000000 ] - [ 0.0000860000000000, -0.0005255600000000, -0.0001679400000000 ] - [ 0.0000675400000000, 0.0005102500000000, 0.0002213500000000 ] - [ 0.0020042200000000, 0.0017555600000000, 0.0016109200000000 ] - [ 0.0000079800000000, 0.0002113900000000, 0.0000835200000000 ] - [ 0.0008218300000000, -0.0022056100000000, 0.0011308700000000 ] - [ 0.0003743400000000, 0.0002633100000000, -0.0005216400000000 ] - [ -0.0008944700000000, -0.0005184200000000, -0.0011419100000000 ] - [ 0.0003246200000000, 0.0004687500000000, -0.0004123400000000 ] - [ -0.0000965000000000, 0.0014879000000000, -0.0009809500000000 ] - [ -0.0004327200000000, -0.0003756800000000, -0.0004977700000000 ] - [ -0.0001324900000000, -0.0002128000000000, -0.0037709900000000 ] - [ -0.0002906000000000, -0.0003118700000000, -0.0002624800000000 ] - [ -0.0001827500000000, -0.0001300700000000, -0.0004757400000000 ] - [ 0.0000269400000000, -0.0002851600000000, -0.0000193400000000 ] - [ 0.0035662600000000, -0.0014190200000000, 0.0075566200000000 ] - [ -0.0000860000000000, -0.0005255600000000, -0.0001679400000000 ] - [ -0.0002910400000000, -0.0010990900000000, -0.0001407100000000 ] - [ -0.0020042200000000, 0.0017555600000000, 0.0016109200000000 ] - [ -0.0000675400000000, 0.0005102500000000, 0.0002213500000000 ] - [ -0.0008218300000000, -0.0022056100000000, 0.0011308700000000 ] - [ -0.0000079800000000, 0.0002113900000000, 0.0000835200000000 ] - [ 0.0008944700000000, -0.0005184200000000, -0.0011419100000000 ] - [ -0.0003743400000000, 0.0002633100000000, -0.0005216400000000 ] - [ 0.0000965000000000, 0.0014879000000000, -0.0009809500000000 ] - [ -0.0003246200000000, 0.0004687500000000, -0.0004123400000000 ] - [ 0.0000000000000000, -0.0140550300000000, 0.0120585700000000 ] - [ 0.0000000000000000, -0.0002151500000000, -0.0009043200000000 ] - [ 0.0000000000000000, 0.0014283900000000, -0.0011492400000000 ] - [ 0.0000000000000000, 0.0001279800000000, -0.0007879500000000 ] - [ 0.0000000000000000, 0.0014713100000000, 0.0081080900000000 ] - [ 0.0000000000000000, 0.0000224100000000, -0.0002733200000000 ] - [ 0.0000000000000000, -0.0007184900000000, -0.0000106000000000 ] - [ 0.0000000000000000, -0.0000068200000000, -0.0004201600000000 ] - [ 0.0000000000000000, 0.0037597100000000, -0.2527703500000000 ] - [ 0.0000000000000000, -0.0008928500000000, -0.0003406800000000 ] - [ 0.0000000000000000, -0.0004274100000000, -0.0008997500000000 ] - [ 0.0000000000000000, -0.0006037200000000, 0.0000480700000000 ] - [ 0.0000000000000000, -0.0008369800000000, 0.0061714600000000 ] - [ 0.0000000000000000, -0.0006524800000000, 0.0008931200000000 ] - [ 0.0000000000000000, -0.0006420400000000, 0.0013326800000000 ] - [ 0.0000000000000000, -0.0006680300000000, 0.0006281200000000 ] - [ -0.0018283500000000, -0.0004919400000000, -0.0029467300000000 ] - [ 0.0018283500000000, -0.0004919400000000, -0.0029467300000000 ] - [ -0.0002011100000000, -0.0000550700000000, -0.0009923200000000 ] - [ 0.0002011100000000, -0.0000550700000000, -0.0009923200000000 ] - [ 0.0004814200000000, -0.0000824700000000, 0.0015883600000000 ] - [ -0.0004814200000000, -0.0000824700000000, 0.0015883600000000 ] - [ 0.0000679100000000, 0.0002129100000000, -0.0000962200000000 ] - [ -0.0000679100000000, 0.0002129100000000, -0.0000962200000000 ] - [ 0.0011126300000000, -0.0002352400000000, 0.0006209600000000 ] - [ -0.0011126300000000, -0.0002352400000000, 0.0006209600000000 ] - [ 0.0006412200000000, 0.0016875800000000, 0.0004147500000000 ] - [ -0.0006412200000000, 0.0016875800000000, 0.0004147500000000 ] - [ -0.0009561200000000, 0.0009193400000000, 0.0006290200000000 ] - [ 0.0009561200000000, 0.0009193400000000, 0.0006290200000000 ] - [ -0.0003443000000000, 0.0002547200000000, 0.0004200500000000 ] - [ 0.0003443000000000, 0.0002547200000000, 0.0004200500000000 ] - [ -0.0032063900000000, 0.0018035000000000, -0.0016631300000000 ] - [ 0.0006868700000000, -0.0002452600000000, -0.0002605600000000 ] - [ -0.0012042300000000, -0.0013350200000000, -0.0017640400000000 ] - [ 0.0001787100000000, -0.0003085400000000, -0.0002368400000000 ] - [ 0.0004227400000000, -0.0005568700000000, 0.0018256100000000 ] - [ -0.0005493800000000, -0.0004847100000000, 0.0004798800000000 ] - [ 0.0000406300000000, 0.0001468600000000, 0.0016965600000000 ] - [ -0.0003990600000000, -0.0003367000000000, 0.0004279200000000 ] - [ 0.0120075800000000, 0.0048850700000000, 0.0134654100000000 ] - [ -0.0005964900000000, 0.0001869600000000, -0.0002462200000000 ] - [ 0.0006799000000000, -0.0002178900000000, -0.0004593200000000 ] - [ 0.0000303100000000, 0.0003400600000000, -0.0001226200000000 ] - [ -0.0037112100000000, -0.0013453000000000, 0.0068650500000000 ] - [ 0.0005796900000000, 0.0003898100000000, 0.0003393300000000 ] - [ -0.0001323700000000, 0.0008274500000000, 0.0005673600000000 ] - [ 0.0003010500000000, 0.0004441900000000, 0.0002779600000000 ] - [ 0.0005964900000000, 0.0001869600000000, -0.0002462200000000 ] - [ -0.0120075800000000, 0.0048850700000000, 0.0134654100000000 ] - [ -0.0000303100000000, 0.0003400600000000, -0.0001226200000000 ] - [ -0.0006799000000000, -0.0002178900000000, -0.0004593200000000 ] - [ -0.0005796900000000, 0.0003898100000000, 0.0003393300000000 ] - [ 0.0037112100000000, -0.0013453000000000, 0.0068650500000000 ] - [ -0.0003010500000000, 0.0004441900000000, 0.0002779600000000 ] - [ 0.0001323700000000, 0.0008274500000000, 0.0005673600000000 ] - [ -0.0006868700000000, -0.0002452600000000, -0.0002605600000000 ] - [ 0.0032063900000000, 0.0018035000000000, -0.0016631300000000 ] - [ -0.0001787100000000, -0.0003085400000000, -0.0002368400000000 ] - [ 0.0012042300000000, -0.0013350200000000, -0.0017640400000000 ] - [ 0.0005493800000000, -0.0004847100000000, 0.0004798800000000 ] - [ -0.0004227400000000, -0.0005568700000000, 0.0018256100000000 ] - [ 0.0003990600000000, -0.0003367000000000, 0.0004279200000000 ] - [ -0.0000406300000000, 0.0001468600000000, 0.0016965600000000 ] - [ 0.0000000000000000, -0.0102551300000000, 0.1862333800000000 ] - [ 0.0000000000000000, 0.0004902600000000, 0.0009162400000000 ] - [ 0.0000000000000000, -0.0003911000000000, 0.0014890300000000 ] - [ 0.0000000000000000, -0.0001914400000000, 0.0002504700000000 ] - [ 0.0000000000000000, 0.0018958800000000, -0.0120003600000000 ] - [ 0.0000000000000000, -0.0002885500000000, -0.0010278500000000 ] - [ 0.0000000000000000, -0.0000877900000000, -0.0014433900000000 ] - [ 0.0000000000000000, -0.0001809200000000, -0.0006682900000000 ] - [ -0.0009740800000000, 0.0003129000000000, -0.0015575700000000 ] - [ 0.0009740800000000, 0.0003129000000000, -0.0015575700000000 ] - [ -0.0006728200000000, -0.0006118600000000, -0.0011514600000000 ] - [ 0.0006728200000000, -0.0006118600000000, -0.0011514600000000 ] - [ 0.0029433300000000, 0.0004724700000000, -0.0001593000000000 ] - [ -0.0029433300000000, 0.0004724700000000, -0.0001593000000000 ] - [ 0.0008036000000000, 0.0006654900000000, -0.0001319400000000 ] - [ -0.0008036000000000, 0.0006654900000000, -0.0001319400000000 ] - [ -0.0048682100000000, 0.0027714500000000, 0.0035740800000000 ] - [ 0.0048682100000000, 0.0027714500000000, 0.0035740800000000 ] - [ -0.0002409600000000, 0.0003388400000000, 0.0015001100000000 ] - [ 0.0002409600000000, 0.0003388400000000, 0.0015001100000000 ] - [ 0.0023822700000000, -0.0002118800000000, -0.0009424800000000 ] - [ -0.0023822700000000, -0.0002118800000000, -0.0009424800000000 ] - [ 0.0002617100000000, 0.0005233200000000, 0.0001395100000000 ] - [ -0.0002617100000000, 0.0005233200000000, 0.0001395100000000 ] - [ 0.0000000000000000, -0.0003573500000000, -0.0067121200000000 ] - [ 0.0000000000000000, -0.0006621300000000, 0.0005157900000000 ] - [ 0.0000000000000000, -0.0016252000000000, -0.0006359200000000 ] - [ 0.0000000000000000, -0.0007253400000000, 0.0005771900000000 ] - [ 0.0000000000000000, 0.0076427300000000, 0.0086531300000000 ] - [ 0.0000000000000000, -0.0002937800000000, 0.0008100600000000 ] - [ 0.0000000000000000, 0.0018429700000000, 0.0019100300000000 ] - [ 0.0000000000000000, -0.0004599700000000, 0.0008235600000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002966700000000, -0.0005391300000000, 0.0033716600000000 ] - [ -0.0000008300000000, -0.0003758500000000, 0.0001049600000000 ] - [ 0.0002451300000000, -0.0006201000000000, 0.0000851300000000 ] - [ 0.0001351100000000, -0.0004381900000000, -0.0001275700000000 ] - [ 0.0041717200000000, 0.0007359300000000, -0.0079754700000000 ] - [ 0.0004528900000000, -0.0004663200000000, -0.0003724300000000 ] - [ 0.0001369400000000, 0.0003376900000000, -0.0002517000000000 ] - [ 0.0003404600000000, -0.0002279100000000, -0.0002239300000000 ] - [ 0.0003608700000000, 0.0002458700000000, -0.0006082000000000 ] - [ -0.0015680400000000, -0.0009963900000000, -0.0019828500000000 ] - [ 0.0004195800000000, 0.0005421100000000, -0.0004703700000000 ] - [ -0.0003953000000000, 0.0029514700000000, -0.0015037700000000 ] - [ 0.0000541700000000, 0.0004911200000000, 0.0001291700000000 ] - [ 0.0013219400000000, 0.0012770400000000, 0.0007463000000000 ] - [ 0.0001037600000000, 0.0002857600000000, 0.0000198700000000 ] - [ 0.0005269300000000, -0.0007385000000000, 0.0005863800000000 ] - [ 0.0000008300000000, -0.0003758500000000, 0.0001049600000000 ] - [ -0.0002966700000000, -0.0005391300000000, 0.0033716600000000 ] - [ -0.0001351100000000, -0.0004381900000000, -0.0001275700000000 ] - [ -0.0002451300000000, -0.0006201000000000, 0.0000851300000000 ] - [ -0.0004528900000000, -0.0004663200000000, -0.0003724300000000 ] - [ -0.0041717200000000, 0.0007359300000000, -0.0079754700000000 ] - [ -0.0003404600000000, -0.0002279100000000, -0.0002239300000000 ] - [ -0.0001369400000000, 0.0003376900000000, -0.0002517000000000 ] - [ 0.0015680400000000, -0.0009963900000000, -0.0019828500000000 ] - [ -0.0003608700000000, 0.0002458700000000, -0.0006082000000000 ] - [ 0.0003953000000000, 0.0029514700000000, -0.0015037700000000 ] - [ -0.0004195800000000, 0.0005421100000000, -0.0004703700000000 ] - [ -0.0013219400000000, 0.0012770400000000, 0.0007463000000000 ] - [ -0.0000541700000000, 0.0004911200000000, 0.0001291700000000 ] - [ -0.0005269300000000, -0.0007385000000000, 0.0005863800000000 ] - [ -0.0001037600000000, 0.0002857600000000, 0.0000198700000000 ] - [ 0.0000000000000000, 0.0137886500000000, -0.0130667600000000 ] - [ 0.0000000000000000, 0.0002385400000000, -0.0002893800000000 ] - [ 0.0000000000000000, -0.0013974600000000, -0.0000502000000000 ] - [ 0.0000000000000000, -0.0000976900000000, -0.0004044500000000 ] - [ 0.0000000000000000, -0.0014753000000000, -0.0093319300000000 ] - [ 0.0000000000000000, 0.0000005300000000, -0.0009130300000000 ] - [ 0.0000000000000000, 0.0007471500000000, -0.0011720500000000 ] - [ 0.0000000000000000, 0.0000296700000000, -0.0007655500000000 ] - [ 0.0000000000000000, -0.0042340500000000, 0.2411347700000000 ] - [ 0.0000000000000000, -0.0004701100000000, 0.0010294700000000 ] - [ 0.0000000000000000, -0.0009324100000000, 0.0015851700000000 ] - [ 0.0000000000000000, -0.0007588200000000, 0.0006471000000000 ] - [ 0.0000000000000000, -0.0005260200000000, -0.0054720300000000 ] - [ 0.0000000000000000, -0.0007108700000000, -0.0001925100000000 ] - [ 0.0000000000000000, -0.0007209100000000, -0.0006302300000000 ] - [ 0.0000000000000000, -0.0006940600000000, 0.0000679200000000 ] - [ 0.0017985900000000, 0.0004651300000000, 0.0017589100000000 ] - [ -0.0017985900000000, 0.0004651300000000, 0.0017589100000000 ] - [ 0.0001955900000000, 0.0000240300000000, -0.0001996000000000 ] - [ -0.0001955900000000, 0.0000240300000000, -0.0001996000000000 ] - [ -0.0004744700000000, 0.0000499900000000, -0.0027741400000000 ] - [ 0.0004744700000000, 0.0000499900000000, -0.0027741400000000 ] - [ -0.0000650300000000, -0.0002374700000000, -0.0010917400000000 ] - [ 0.0000650300000000, -0.0002374700000000, -0.0010917400000000 ] - [ -0.0011044400000000, 0.0015892700000000, 0.0000701000000000 ] - [ 0.0011044400000000, 0.0015892700000000, 0.0000701000000000 ] - [ -0.0006387700000000, -0.0003175500000000, 0.0002783800000000 ] - [ 0.0006387700000000, -0.0003175500000000, 0.0002783800000000 ] - [ 0.0009531200000000, 0.0004357900000000, 0.0000797200000000 ] - [ -0.0009531200000000, 0.0004357900000000, 0.0000797200000000 ] - [ 0.0003439000000000, 0.0011082200000000, 0.0002854900000000 ] - [ -0.0003439000000000, 0.0011082200000000, 0.0002854900000000 ] - [ 0.0028123300000000, -0.0024863100000000, 0.0018192400000000 ] - [ -0.0010291300000000, -0.0004624700000000, 0.0004150300000000 ] - [ 0.0008268200000000, 0.0006012100000000, 0.0019231100000000 ] - [ -0.0005232400000000, -0.0003975900000000, 0.0003844700000000 ] - [ -0.0007664300000000, -0.0001572800000000, -0.0016667300000000 ] - [ 0.0001937000000000, -0.0002266400000000, -0.0003291200000000 ] - [ -0.0003902200000000, -0.0008434900000000, -0.0015396900000000 ] - [ 0.0000435700000000, -0.0003665700000000, -0.0002733400000000 ] - [ -0.0113972900000000, -0.0040590900000000, -0.0130719400000000 ] - [ 0.0009440600000000, 0.0005165200000000, 0.0003925200000000 ] - [ -0.0003236500000000, 0.0009197600000000, 0.0006065400000000 ] - [ 0.0003204800000000, 0.0003670300000000, 0.0002739400000000 ] - [ 0.0041188900000000, 0.0020795400000000, -0.0067666700000000 ] - [ -0.0002293700000000, 0.0003198200000000, -0.0001799100000000 ] - [ 0.0004839300000000, -0.0001190100000000, -0.0004083400000000 ] - [ 0.0000539300000000, 0.0002630100000000, -0.0001214800000000 ] - [ -0.0009440600000000, 0.0005165200000000, 0.0003925200000000 ] - [ 0.0113972900000000, -0.0040590900000000, -0.0130719400000000 ] - [ -0.0003204800000000, 0.0003670300000000, 0.0002739400000000 ] - [ 0.0003236500000000, 0.0009197600000000, 0.0006065400000000 ] - [ 0.0002293700000000, 0.0003198200000000, -0.0001799100000000 ] - [ -0.0041188900000000, 0.0020795400000000, -0.0067666700000000 ] - [ -0.0000539300000000, 0.0002630100000000, -0.0001214800000000 ] - [ -0.0004839300000000, -0.0001190100000000, -0.0004083400000000 ] - [ 0.0010291300000000, -0.0004624700000000, 0.0004150300000000 ] - [ -0.0028123300000000, -0.0024863100000000, 0.0018192400000000 ] - [ 0.0005232400000000, -0.0003975900000000, 0.0003844700000000 ] - [ -0.0008268200000000, 0.0006012100000000, 0.0019231100000000 ] - [ -0.0001937000000000, -0.0002266400000000, -0.0003291200000000 ] - [ 0.0007664300000000, -0.0001572800000000, -0.0016667300000000 ] - [ -0.0000435700000000, -0.0003665700000000, -0.0002733400000000 ] - [ 0.0003902200000000, -0.0008434900000000, -0.0015396900000000 ] - [ 0.0000000000000000, 0.0092400900000000, -0.1750251500000000 ] - [ 0.0000000000000000, -0.0007340200000000, -0.0013871700000000 ] - [ 0.0000000000000000, 0.0001398500000000, -0.0019575200000000 ] - [ 0.0000000000000000, -0.0000581700000000, -0.0007288500000000 ] - [ 0.0000000000000000, -0.0021395700000000, 0.0115691800000000 ] - [ 0.0000000000000000, 0.0000401400000000, 0.0005446300000000 ] - [ 0.0000000000000000, -0.0001636900000000, 0.0009575500000000 ] - [ 0.0000000000000000, -0.0000680300000000, 0.0001888800000000 ] - [ 0.0009654700000000, -0.0000573800000000, 0.0010750100000000 ] - [ -0.0009654700000000, -0.0000573800000000, 0.0010750100000000 ] - [ 0.0006645000000000, 0.0008526800000000, 0.0006655100000000 ] - [ -0.0006645000000000, 0.0008526800000000, 0.0006655100000000 ] - [ -0.0029141000000000, -0.0002179100000000, -0.0003470600000000 ] - [ 0.0029141000000000, -0.0002179100000000, -0.0003470600000000 ] - [ -0.0007886500000000, -0.0004113900000000, -0.0003610300000000 ] - [ 0.0007886500000000, -0.0004113900000000, -0.0003610300000000 ] - [ 0.0048493200000000, -0.0016241900000000, -0.0020857000000000 ] - [ -0.0048493200000000, -0.0016241900000000, -0.0020857000000000 ] - [ 0.0002407000000000, 0.0007892900000000, -0.0000394900000000 ] - [ -0.0002407000000000, 0.0007892900000000, -0.0000394900000000 ] - [ -0.0023927300000000, 0.0013493000000000, 0.0023861300000000 ] - [ 0.0023927300000000, 0.0013493000000000, 0.0023861300000000 ] - [ -0.0002611600000000, 0.0006070900000000, 0.0013074600000000 ] - [ 0.0002611600000000, 0.0006070900000000, 0.0013074600000000 ] - [ 0.0000000000000000, -0.0007738400000000, 0.0081469200000000 ] - [ 0.0000000000000000, -0.0004698700000000, 0.0009364600000000 ] - [ 0.0000000000000000, 0.0004828800000000, 0.0020852200000000 ] - [ 0.0000000000000000, -0.0004081600000000, 0.0008755300000000 ] - [ 0.0000000000000000, -0.0090496600000000, -0.0071623600000000 ] - [ 0.0000000000000000, -0.0008344700000000, 0.0006397600000000 ] - [ 0.0000000000000000, -0.0029553400000000, -0.0004716900000000 ] - [ 0.0000000000000000, -0.0006709300000000, 0.0006267400000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0011802500000000, -0.0004150800000000, -0.0000494400000000 ] - [ -0.0003684900000000, -0.0004240300000000, -0.0002427300000000 ] - [ 0.0007524100000000, -0.0002474600000000, -0.0000191800000000 ] - [ -0.0002333600000000, -0.0003743600000000, -0.0002419900000000 ] - [ 0.0033835800000000, -0.0002946800000000, -0.0003212500000000 ] - [ -0.0007859900000000, -0.0004655300000000, -0.0001623000000000 ] - [ 0.0067548000000000, 0.0012932300000000, 0.0003079400000000 ] - [ -0.0007177300000000, -0.0002799700000000, -0.0001707200000000 ] - [ -0.0005098900000000, 0.0005531900000000, -0.0033144100000000 ] - [ -0.0009650100000000, 0.0000269000000000, 0.0009483700000000 ] - [ 0.0003090500000000, 0.0000934300000000, -0.0004067400000000 ] - [ -0.0001212900000000, 0.0006826000000000, -0.0000568000000000 ] - [ -0.0009697600000000, 0.0013122900000000, 0.0010416800000000 ] - [ -0.0007385800000000, -0.0001725800000000, -0.0008317000000000 ] - [ 0.0002867200000000, 0.0000317500000000, -0.0000017500000000 ] - [ 0.0000331900000000, 0.0005764100000000, -0.0003125300000000 ] - [ -0.0002044700000000, -0.0006399400000000, -0.0002730400000000 ] - [ -0.0006111600000000, -0.0001797100000000, 0.0000103600000000 ] - [ -0.0000947000000000, -0.0000475600000000, -0.0003320700000000 ] - [ -0.0004079800000000, -0.0005808900000000, -0.0000560200000000 ] - [ -0.0015700800000000, -0.0016168900000000, 0.0001027400000000 ] - [ -0.0013418500000000, 0.0003721200000000, -0.0006137600000000 ] - [ -0.0009219500000000, 0.0028251100000000, 0.0006837500000000 ] - [ -0.0013452500000000, -0.0015827600000000, -0.0005806100000000 ] - [ 0.0063586700000000, 0.0004022800000000, -0.0019058800000000 ] - [ -0.0012092000000000, 0.0004426800000000, -0.0002833600000000 ] - [ 0.0005052900000000, 0.0004521000000000, -0.0002878000000000 ] - [ -0.0007138700000000, 0.0002818100000000, -0.0001891600000000 ] - [ 0.0029296000000000, 0.0007100300000000, -0.0009971900000000 ] - [ -0.0011756400000000, 0.0004793800000000, -0.0001025100000000 ] - [ 0.0003626400000000, 0.0003241400000000, -0.0001529800000000 ] - [ -0.0006849000000000, 0.0002810900000000, -0.0001561500000000 ] - [ 0.0011962800000000, -0.0023279100000000, -0.0066893300000000 ] - [ 0.0013183100000000, 0.0005585500000000, 0.0008925600000000 ] - [ -0.0003419800000000, 0.0006814900000000, -0.0015145200000000 ] - [ 0.0004431000000000, -0.0003020100000000, -0.0002413800000000 ] - [ 0.0010673300000000, -0.0043387300000000, 0.0064736100000000 ] - [ 0.0017148100000000, 0.0009290800000000, -0.0022002600000000 ] - [ -0.0003126100000000, 0.0003696800000000, -0.0003033500000000 ] - [ 0.0005231500000000, -0.0001564200000000, -0.0007650000000000 ] - [ 0.0011130100000000, -0.0079612000000000, -0.0026591100000000 ] - [ 0.0016668500000000, 0.0008528200000000, 0.0012083600000000 ] - [ 0.0013421500000000, 0.0046093000000000, -0.0006703000000000 ] - [ 0.0012102900000000, -0.0020088400000000, 0.0006968500000000 ] - [ -0.0006809600000000, -0.0021147000000000, 0.0009374500000000 ] - [ 0.0005731400000000, -0.0002859100000000, -0.0000227400000000 ] - [ -0.0002106700000000, -0.0005289600000000, 0.0005635900000000 ] - [ 0.0005038400000000, -0.0008676400000000, 0.0001268200000000 ] - [ 0.0007050400000000, 0.0115472400000000, -0.0005896700000000 ] - [ 0.0018856800000000, -0.0007491700000000, -0.0006100200000000 ] - [ -0.0012025900000000, -0.0030862600000000, -0.0007755300000000 ] - [ 0.0010953200000000, 0.0002738900000000, -0.0005622900000000 ] - [ -0.0008959100000000, 0.0005913100000000, -0.0010690900000000 ] - [ 0.0008593000000000, -0.0001499600000000, -0.0006515900000000 ] - [ -0.0007424800000000, -0.0000645500000000, -0.0005756700000000 ] - [ 0.0006095400000000, 0.0000729500000000, -0.0005945300000000 ] - [ -0.0012704500000000, 0.0011926400000000, 0.0042602500000000 ] - [ 0.0012448800000000, 0.0006372200000000, -0.0000527700000000 ] - [ -0.0007007500000000, 0.0005664100000000, 0.0006531600000000 ] - [ 0.0006619300000000, 0.0006967800000000, 0.0002251500000000 ] - [ 0.0007653100000000, 0.0052862400000000, -0.0114076700000000 ] - [ 0.0017474900000000, 0.0004170100000000, 0.0011133400000000 ] - [ -0.0007642400000000, 0.0006869400000000, -0.0001554500000000 ] - [ 0.0006979700000000, 0.0007192400000000, 0.0004919600000000 ] - [ -0.2182982100000000, -0.0576126300000000, 0.0478677200000000 ] - [ 0.0048305900000000, -0.0000421600000000, -0.0001551500000000 ] - [ -0.0025262400000000, -0.0003768700000000, 0.0003384700000000 ] - [ 0.0012709300000000, -0.0001614300000000, -0.0000420400000000 ] - [ -0.0028581200000000, -0.0007421800000000, 0.0000833100000000 ] - [ 0.0014134000000000, -0.0002806500000000, -0.0000847700000000 ] - [ -0.0012808700000000, -0.0004239200000000, 0.0000707500000000 ] - [ 0.0007496900000000, -0.0002019300000000, -0.0000118400000000 ] - [ -0.0029724700000000, -0.0003037900000000, -0.0004801100000000 ] - [ 0.0018489400000000, 0.0007202400000000, 0.0004261000000000 ] - [ -0.0021477900000000, 0.0014466200000000, -0.0018267100000000 ] - [ 0.0014823800000000, 0.0003780200000000, 0.0003152300000000 ] - [ -0.0029716100000000, -0.0002012600000000, -0.0001676100000000 ] - [ 0.0018469500000000, 0.0007116100000000, 0.0001510200000000 ] - [ -0.0021488200000000, 0.0016995800000000, 0.0018821800000000 ] - [ 0.0014789700000000, 0.0002937400000000, 0.0000144900000000 ] - [ 0.0003308900000000, 0.0009052500000000, 0.0007167500000000 ] - [ 0.0009721700000000, -0.0006093000000000, -0.0009263000000000 ] - [ 0.0002941400000000, -0.0006887300000000, 0.0009244800000000 ] - [ 0.0003520100000000, 0.0008831100000000, -0.0006864900000000 ] - [ 0.0009689100000000, 0.0013031400000000, -0.0006107000000000 ] - [ 0.0003369900000000, -0.0007546000000000, 0.0003844100000000 ] - [ 0.0003457300000000, -0.0010417000000000, -0.0010756600000000 ] - [ 0.0003026500000000, 0.0012317300000000, 0.0008617700000000 ] - [ 0.0264262900000000, 0.0014487600000000, -0.0013122900000000 ] - [ 0.0085971300000000, -0.0017608200000000, 0.0011152400000000 ] - [ 0.0000695400000000, 0.0001752400000000, 0.0000388600000000 ] - [ 0.0014379900000000, -0.0006865900000000, 0.0002939600000000 ] - [ 0.0001121500000000, -0.0007577200000000, -0.0002483400000000 ] - [ 0.0015055200000000, -0.0001478500000000, 0.0001858500000000 ] - [ -0.0002542000000000, -0.0000302200000000, -0.0000320100000000 ] - [ 0.0007733600000000, -0.0005916700000000, 0.0000665800000000 ] - [ 0.0015372700000000, 0.0036948800000000, 0.0044099600000000 ] - [ -0.0018525100000000, -0.0013300800000000, -0.0018113800000000 ] - [ 0.0001552700000000, -0.0017054000000000, 0.0034133700000000 ] - [ -0.0017447200000000, 0.0005633700000000, -0.0012559400000000 ] - [ 0.0022379200000000, 0.0055711200000000, -0.0006934200000000 ] - [ -0.0020340800000000, -0.0015923000000000, 0.0003793200000000 ] - [ 0.0003331400000000, -0.0007591600000000, -0.0009753200000000 ] - [ -0.0016343100000000, 0.0002393000000000, 0.0001826200000000 ] - [ 0.0024234500000000, 0.0009971400000000, -0.0012513700000000 ] - [ -0.0021757000000000, 0.0001262900000000, 0.0000545500000000 ] - [ 0.0012560600000000, 0.0001393700000000, -0.0004250800000000 ] - [ -0.0012218300000000, 0.0000195500000000, -0.0000768800000000 ] - [ 0.1271345300000000, 0.0607893500000000, -0.0491638400000000 ] - [ -0.0067734100000000, 0.0016747100000000, -0.0016816300000000 ] - [ 0.0019981600000000, 0.0009837100000000, 0.0001704100000000 ] - [ -0.0019190000000000, -0.0000657100000000, -0.0004146100000000 ] - [ 0.0020878800000000, -0.0013655100000000, -0.0027391900000000 ] - [ -0.0019509800000000, 0.0008733700000000, 0.0011312500000000 ] - [ 0.0020078700000000, 0.0018055500000000, -0.0009689000000000 ] - [ -0.0014620800000000, 0.0003617200000000, 0.0010027400000000 ] - [ 0.0018714500000000, -0.0029808100000000, 0.0025238500000000 ] - [ -0.0016359400000000, 0.0010473200000000, 0.0005172200000000 ] - [ 0.0017961800000000, 0.0010107700000000, 0.0012973700000000 ] - [ -0.0012625800000000, 0.0004563300000000, 0.0006059600000000 ] - [ 0.0010736800000000, -0.0015668400000000, 0.0019398100000000 ] - [ -0.0010584900000000, -0.0002459100000000, 0.0004164800000000 ] - [ 0.0004141500000000, -0.0007605600000000, 0.0011145900000000 ] - [ -0.0004456800000000, -0.0004154100000000, 0.0005481500000000 ] - [ 0.0426815800000000, -0.0156075000000000, 0.0136249600000000 ] - [ -0.0071323800000000, -0.0033372400000000, 0.0024759200000000 ] - [ 0.0009266500000000, -0.0016896400000000, 0.0001632800000000 ] - [ -0.0009076800000000, -0.0002784300000000, 0.0008429900000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007569300000000, -0.0003374600000000, -0.0003431000000000 ] - [ 0.0007935400000000, -0.0003290300000000, -0.0001503000000000 ] - [ -0.0003250500000000, -0.0005054300000000, -0.0003710000000000 ] - [ 0.0006605800000000, -0.0003759300000000, -0.0001518700000000 ] - [ -0.0029615800000000, -0.0004513000000000, -0.0000739200000000 ] - [ 0.0012111000000000, -0.0002894000000000, -0.0002288200000000 ] - [ -0.0063075600000000, -0.0019748300000000, -0.0006679100000000 ] - [ 0.0011401700000000, -0.0004673400000000, -0.0002198800000000 ] - [ 0.0009420300000000, 0.0002025400000000, 0.0029008200000000 ] - [ 0.0013910400000000, 0.0007285500000000, -0.0013493900000000 ] - [ 0.0001202200000000, 0.0006596300000000, 0.0000146600000000 ] - [ 0.0005461500000000, 0.0000714000000000, -0.0003359700000000 ] - [ 0.0014045600000000, -0.0005602900000000, -0.0014304100000000 ] - [ 0.0011626800000000, 0.0009285200000000, 0.0004415900000000 ] - [ 0.0001410900000000, 0.0007226700000000, -0.0003923400000000 ] - [ 0.0003908300000000, 0.0001763700000000, -0.0000799300000000 ] - [ -0.0002275400000000, -0.0001122000000000, -0.0001165700000000 ] - [ 0.0001770100000000, -0.0005734200000000, -0.0003993800000000 ] - [ -0.0003373000000000, -0.0007046000000000, -0.0000575700000000 ] - [ -0.0000282100000000, -0.0001706600000000, -0.0003335900000000 ] - [ 0.0011456000000000, 0.0008662300000000, -0.0004924700000000 ] - [ 0.0009033000000000, -0.0011263800000000, 0.0002226700000000 ] - [ 0.0004914200000000, -0.0035572800000000, -0.0010668600000000 ] - [ 0.0009133500000000, 0.0008407500000000, 0.0001913200000000 ] - [ -0.0067838700000000, 0.0003433000000000, 0.0014501700000000 ] - [ 0.0007747300000000, 0.0003128000000000, -0.0001106700000000 ] - [ -0.0009395300000000, 0.0003007200000000, -0.0001021600000000 ] - [ 0.0002810500000000, 0.0004713600000000, -0.0001991800000000 ] - [ -0.0033687000000000, 0.0000475800000000, 0.0005877500000000 ] - [ 0.0007405500000000, 0.0002777700000000, -0.0002847400000000 ] - [ -0.0007970200000000, 0.0004285900000000, -0.0002370300000000 ] - [ 0.0002505600000000, 0.0004732900000000, -0.0002326600000000 ] - [ -0.0011870000000000, 0.0023619300000000, 0.0055285000000000 ] - [ -0.0013166400000000, -0.0005283500000000, -0.0020687100000000 ] - [ 0.0003479700000000, -0.0006521600000000, 0.0003261800000000 ] - [ -0.0004438800000000, 0.0003238500000000, -0.0009453700000000 ] - [ -0.0010720400000000, 0.0043764500000000, -0.0077016900000000 ] - [ -0.0017175200000000, -0.0008896100000000, 0.0009964300000000 ] - [ 0.0003184400000000, -0.0003403600000000, -0.0008879000000000 ] - [ -0.0005256300000000, 0.0001856600000000, -0.0004257100000000 ] - [ -0.0011124000000000, 0.0066501700000000, 0.0033638600000000 ] - [ -0.0016696200000000, -0.0022007400000000, -0.0005078000000000 ] - [ -0.0013397400000000, -0.0060053700000000, 0.0013649000000000 ] - [ -0.0012054700000000, 0.0006334300000000, 0.0000008400000000 ] - [ 0.0006883700000000, 0.0007578800000000, -0.0002479100000000 ] - [ -0.0005730300000000, -0.0010736300000000, 0.0007215900000000 ] - [ 0.0002175100000000, -0.0008317800000000, 0.0001342000000000 ] - [ -0.0005037200000000, -0.0004963300000000, 0.0005715700000000 ] - [ -0.0007452500000000, -0.0114730400000000, -0.0006039000000000 ] - [ -0.0018821000000000, 0.0007315800000000, -0.0005804900000000 ] - [ 0.0011875400000000, 0.0030667700000000, -0.0004136100000000 ] - [ -0.0010932200000000, -0.0003025200000000, -0.0006291000000000 ] - [ 0.0008924400000000, -0.0006137700000000, -0.0001243100000000 ] - [ -0.0008573800000000, 0.0001216500000000, -0.0005384000000000 ] - [ 0.0007394100000000, 0.0000418500000000, -0.0006143200000000 ] - [ -0.0006058600000000, -0.0001017900000000, -0.0005963900000000 ] - [ 0.0012580300000000, 0.0001667300000000, -0.0035699700000000 ] - [ -0.0012413500000000, 0.0007259200000000, 0.0007568200000000 ] - [ 0.0006974300000000, 0.0007970900000000, 0.0000403900000000 ] - [ -0.0006581300000000, 0.0006659600000000, 0.0004729800000000 ] - [ -0.0008035100000000, -0.0038982800000000, 0.0119965700000000 ] - [ -0.0017452600000000, 0.0009472200000000, -0.0004246100000000 ] - [ 0.0007653900000000, 0.0006764300000000, 0.0008510900000000 ] - [ -0.0006929400000000, 0.0006426000000000, 0.0002038300000000 ] - [ 0.2146638000000000, 0.0514021200000000, -0.0434284500000000 ] - [ -0.0051751800000000, -0.0006668100000000, 0.0003062200000000 ] - [ 0.0021770300000000, -0.0003283000000000, -0.0001852500000000 ] - [ -0.0016192000000000, -0.0005412000000000, 0.0001923000000000 ] - [ 0.0025060000000000, 0.0000277300000000, 0.0000699300000000 ] - [ -0.0017616100000000, -0.0004250900000000, 0.0002332200000000 ] - [ 0.0009288800000000, -0.0002865700000000, 0.0000809100000000 ] - [ -0.0010985400000000, -0.0005030300000000, 0.0001617600000000 ] - [ 0.0033308700000000, 0.0010106900000000, 0.0006362400000000 ] - [ -0.0014960300000000, -0.0000128700000000, -0.0002712100000000 ] - [ 0.0025212900000000, -0.0007263900000000, 0.0019647900000000 ] - [ -0.0011305000000000, 0.0003251000000000, -0.0001603900000000 ] - [ 0.0033303400000000, 0.0009099900000000, 0.0003226000000000 ] - [ -0.0014980800000000, -0.0000048100000000, -0.0000026400000000 ] - [ 0.0025207700000000, -0.0009756000000000, -0.0017054100000000 ] - [ -0.0011294200000000, 0.0004036700000000, 0.0001335000000000 ] - [ -0.0006899800000000, -0.0001983500000000, -0.0005645600000000 ] - [ -0.0013199000000000, 0.0013140900000000, 0.0010775200000000 ] - [ -0.0006519800000000, 0.0013935100000000, -0.0007648800000000 ] - [ -0.0006944700000000, -0.0001813000000000, 0.0008412600000000 ] - [ -0.0013262500000000, -0.0005964400000000, 0.0007625900000000 ] - [ -0.0006856200000000, 0.0014654700000000, -0.0002310900000000 ] - [ -0.0007013500000000, 0.0017411100000000, 0.0012187800000000 ] - [ -0.0006472200000000, -0.0005328600000000, -0.0007140600000000 ] - [ -0.0255229200000000, -0.0021584200000000, 0.0014699600000000 ] - [ -0.0083324700000000, 0.0010559000000000, -0.0009619600000000 ] - [ 0.0002773200000000, -0.0008803900000000, 0.0001109900000000 ] - [ -0.0010823000000000, -0.0000202800000000, -0.0001420900000000 ] - [ 0.0002349100000000, 0.0000482800000000, 0.0004013900000000 ] - [ -0.0011499800000000, -0.0005591100000000, -0.0000372500000000 ] - [ 0.0006031400000000, -0.0006749700000000, 0.0001865400000000 ] - [ -0.0004177300000000, -0.0001122700000000, 0.0000873300000000 ] - [ -0.0015488200000000, -0.0039386100000000, -0.0048931100000000 ] - [ 0.0018574800000000, 0.0010656000000000, 0.0013214700000000 ] - [ -0.0001749500000000, 0.0014601600000000, -0.0039043300000000 ] - [ 0.0017477700000000, -0.0008108800000000, 0.0007719900000000 ] - [ -0.0022418600000000, -0.0058199000000000, 0.0002113500000000 ] - [ 0.0020443700000000, 0.0013274200000000, -0.0008612300000000 ] - [ -0.0003565100000000, 0.0005064200000000, 0.0004947100000000 ] - [ 0.0016395400000000, -0.0004907000000000, -0.0006579600000000 ] - [ -0.0024176400000000, -0.0007406600000000, 0.0007836800000000 ] - [ 0.0021726900000000, 0.0001239500000000, -0.0005345100000000 ] - [ -0.0012517100000000, 0.0001074600000000, -0.0000495800000000 ] - [ 0.0012213500000000, 0.0002311200000000, -0.0004041800000000 ] - [ -0.1217918000000000, -0.0565811400000000, 0.0454874200000000 ] - [ 0.0067769600000000, -0.0014432200000000, 0.0012151200000000 ] - [ -0.0019945300000000, -0.0007382500000000, -0.0006485600000000 ] - [ 0.0019173400000000, 0.0003162900000000, -0.0000647000000000 ] - [ -0.0020754900000000, 0.0025064300000000, 0.0042006100000000 ] - [ 0.0019493400000000, 0.0002540400000000, 0.0003177900000000 ] - [ -0.0019852900000000, -0.0006829000000000, 0.0024304600000000 ] - [ 0.0014606000000000, 0.0007723600000000, 0.0004468200000000 ] - [ -0.0018707100000000, 0.0041190400000000, -0.0010780100000000 ] - [ 0.0016345400000000, 0.0000800500000000, 0.0009363700000000 ] - [ -0.0017826600000000, 0.0001174300000000, 0.0001509100000000 ] - [ 0.0012611300000000, 0.0006760600000000, 0.0008481600000000 ] - [ -0.0010779200000000, 0.0004380800000000, -0.0004851000000000 ] - [ 0.0010640000000000, -0.0008836800000000, 0.0010320400000000 ] - [ -0.0004153900000000, -0.0003751800000000, 0.0003385200000000 ] - [ 0.0004486100000000, -0.0007159000000000, 0.0009027200000000 ] - [ -0.0451338300000000, 0.0157474900000000, -0.0131257000000000 ] - [ 0.0071087400000000, 0.0021737500000000, -0.0010040400000000 ] - [ -0.0009304800000000, 0.0005538600000000, 0.0012910500000000 ] - [ 0.0009124300000000, -0.0008504800000000, 0.0006103800000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001806400000000, -0.0007583600000000, -0.0004805500000000 ] - [ 0.0001336700000000, -0.0005336400000000, -0.0002424000000000 ] - [ 0.0005028300000000, 0.0001201600000000, 0.0003934200000000 ] - [ 0.0001843500000000, -0.0002164300000000, -0.0001406500000000 ] - [ 0.0015152300000000, -0.0028338400000000, 0.0005461900000000 ] - [ 0.0000679000000000, -0.0005909700000000, -0.0001855300000000 ] - [ 0.0016749600000000, 0.0157845400000000, 0.0048031600000000 ] - [ 0.0001651100000000, -0.0002145800000000, -0.0002194300000000 ] - [ 0.0002626100000000, 0.0011696200000000, -0.0000893500000000 ] - [ 0.0001753600000000, 0.0012131100000000, 0.0000395000000000 ] - [ 0.0003186000000000, -0.0002761800000000, -0.0001896300000000 ] - [ 0.0000929600000000, -0.0002965200000000, -0.0001845800000000 ] - [ -0.0005043900000000, 0.0011337500000000, -0.0001074400000000 ] - [ 0.0003979700000000, 0.0010152200000000, -0.0002453600000000 ] - [ 0.0004123200000000, -0.0001209300000000, -0.0001614300000000 ] - [ 0.0000728600000000, -0.0000614000000000, -0.0001987700000000 ] - [ -0.0002672300000000, -0.0006703400000000, -0.0003568800000000 ] - [ -0.0000576000000000, -0.0006376000000000, -0.0003476700000000 ] - [ -0.0001056500000000, -0.0000046900000000, -0.0000240300000000 ] - [ -0.0005055700000000, -0.0000723500000000, 0.0000144500000000 ] - [ -0.0025107500000000, -0.0019150600000000, 0.0003070500000000 ] - [ 0.0005770900000000, -0.0008870300000000, 0.0001429300000000 ] - [ 0.0014288200000000, 0.0000453800000000, -0.0004010100000000 ] - [ -0.0012275400000000, 0.0000166300000000, -0.0004836900000000 ] - [ 0.0001378700000000, 0.0062351600000000, 0.0010012600000000 ] - [ -0.0002775700000000, 0.0006228600000000, -0.0001632800000000 ] - [ -0.0001528300000000, -0.0007200600000000, -0.0001628300000000 ] - [ -0.0002735200000000, 0.0001286900000000, -0.0001791400000000 ] - [ 0.0002436900000000, 0.0021440500000000, -0.0010270800000000 ] - [ -0.0002979900000000, 0.0005909200000000, -0.0002127000000000 ] - [ -0.0002182500000000, -0.0004008600000000, -0.0001785300000000 ] - [ -0.0002843800000000, 0.0001642300000000, -0.0001853200000000 ] - [ -0.0012474500000000, -0.0015665100000000, 0.0012199500000000 ] - [ 0.0002233200000000, -0.0003996200000000, -0.0006116300000000 ] - [ 0.0003173700000000, 0.0017457300000000, -0.0014402500000000 ] - [ -0.0000952900000000, 0.0003460000000000, -0.0006343400000000 ] - [ -0.0010305200000000, -0.0001855400000000, -0.0025473500000000 ] - [ 0.0004010400000000, -0.0002394000000000, -0.0005427300000000 ] - [ 0.0004371900000000, 0.0011140700000000, -0.0003470800000000 ] - [ -0.0000581400000000, 0.0002330700000000, -0.0005860000000000 ] - [ -0.0029017400000000, 0.0033049200000000, 0.0024946300000000 ] - [ 0.0009093000000000, -0.0008244400000000, 0.0004529900000000 ] - [ 0.0040455800000000, 0.0041358100000000, -0.0006190300000000 ] - [ -0.0002779200000000, -0.0006920700000000, 0.0003938300000000 ] - [ -0.0001662600000000, -0.0004360500000000, 0.0001477700000000 ] - [ 0.0002241000000000, -0.0006779500000000, 0.0002181100000000 ] - [ 0.0006445900000000, -0.0004678300000000, 0.0008408000000000 ] - [ -0.0000720800000000, -0.0007186700000000, 0.0003627600000000 ] - [ 0.0118518500000000, 0.0137001300000000, -0.0021369000000000 ] - [ -0.0001721800000000, -0.0003538300000000, -0.0006655300000000 ] - [ -0.0027926800000000, 0.0063033400000000, -0.0001029500000000 ] - [ 0.0004581500000000, 0.0002839900000000, -0.0004861800000000 ] - [ 0.0000035300000000, -0.0001187900000000, -0.0007041700000000 ] - [ -0.0000635600000000, -0.0001185600000000, -0.0005846500000000 ] - [ -0.0004252400000000, 0.0003413100000000, -0.0005692500000000 ] - [ 0.0002170600000000, 0.0001200600000000, -0.0006134800000000 ] - [ 0.0002415000000000, -0.0010773000000000, 0.0020537800000000 ] - [ -0.0000396300000000, 0.0002951300000000, 0.0003119600000000 ] - [ -0.0002003000000000, 0.0019235200000000, -0.0001261900000000 ] - [ 0.0001503500000000, 0.0010695300000000, 0.0002542600000000 ] - [ 0.0024512000000000, -0.0030178800000000, -0.0041199400000000 ] - [ 0.0000117100000000, 0.0003212300000000, 0.0005132600000000 ] - [ -0.0001971700000000, 0.0021590900000000, 0.0009090100000000 ] - [ 0.0001451800000000, 0.0010048000000000, 0.0003577600000000 ] - [ -0.0553390600000000, -0.1098122500000000, 0.0368229000000000 ] - [ 0.0001367600000000, -0.0006986700000000, 0.0001710300000000 ] - [ -0.0002025600000000, 0.0022823900000000, -0.0000636000000000 ] - [ 0.0000149200000000, -0.0000214000000000, 0.0000196000000000 ] - [ -0.0005576800000000, -0.0013400400000000, 0.0001473500000000 ] - [ -0.0001035300000000, -0.0005734800000000, 0.0000829400000000 ] - [ -0.0002437900000000, 0.0003876500000000, -0.0000057700000000 ] - [ -0.0000250200000000, -0.0001009700000000, 0.0000233400000000 ] - [ -0.0003833200000000, 0.0012038100000000, 0.0012100600000000 ] - [ 0.0005350900000000, 0.0005285500000000, 0.0001804600000000 ] - [ 0.0015082500000000, 0.0023047200000000, -0.0043645000000000 ] - [ 0.0001205200000000, 0.0002249500000000, 0.0000246100000000 ] - [ -0.0004813600000000, 0.0012027100000000, -0.0007438200000000 ] - [ 0.0005432200000000, 0.0005260300000000, 0.0000813100000000 ] - [ 0.0012631000000000, 0.0023127000000000, 0.0047212300000000 ] - [ 0.0001995400000000, 0.0002244500000000, 0.0001065900000000 ] - [ 0.0009353100000000, 0.0008388100000000, 0.0006948200000000 ] - [ -0.0011247800000000, 0.0008434800000000, 0.0008727900000000 ] - [ -0.0010542300000000, 0.0000342300000000, -0.0001584900000000 ] - [ 0.0012120900000000, -0.0000891000000000, -0.0006434900000000 ] - [ 0.0007871900000000, 0.0008454300000000, -0.0007161500000000 ] - [ -0.0007263700000000, 0.0008336900000000, -0.0000663400000000 ] - [ -0.0007042300000000, -0.0000893000000000, 0.0003750300000000 ] - [ 0.0008637200000000, 0.0000368000000000, 0.0003517200000000 ] - [ -0.0016564700000000, -0.0059219500000000, 0.0006388700000000 ] - [ 0.0015935900000000, -0.0010954300000000, -0.0000982900000000 ] - [ -0.0003467300000000, 0.0022296500000000, -0.0001275500000000 ] - [ 0.0005071400000000, 0.0006830700000000, -0.0000148100000000 ] - [ 0.0005787300000000, -0.0008928200000000, 0.0000441600000000 ] - [ -0.0000289100000000, -0.0008718500000000, 0.0000782500000000 ] - [ -0.0001450800000000, 0.0001801100000000, -0.0000439500000000 ] - [ 0.0004170400000000, 0.0000995600000000, 0.0000471500000000 ] - [ 0.0017693600000000, -0.0004012500000000, -0.0040794300000000 ] - [ -0.0011282500000000, 0.0002107900000000, -0.0005203000000000 ] - [ -0.0034362000000000, -0.0025374000000000, 0.0029339300000000 ] - [ 0.0006187500000000, -0.0004729600000000, -0.0003526200000000 ] - [ 0.0008373000000000, -0.0010488800000000, 0.0004380500000000 ] - [ -0.0009322500000000, 0.0000728000000000, 0.0001106000000000 ] - [ -0.0026189100000000, -0.0010597400000000, -0.0013048600000000 ] - [ 0.0002899800000000, -0.0003017200000000, -0.0004030600000000 ] - [ 0.0004274500000000, 0.0007067900000000, -0.0008236700000000 ] - [ 0.0000622600000000, 0.0003968800000000, -0.0002183400000000 ] - [ 0.0003092500000000, -0.0008680900000000, 0.0001885200000000 ] - [ -0.0002672100000000, -0.0002471200000000, -0.0001531100000000 ] - [ 0.0629127100000000, 0.0618128000000000, -0.0301302700000000 ] - [ -0.0003240500000000, 0.0010580200000000, -0.0006554700000000 ] - [ 0.0002583600000000, -0.0052268600000000, -0.0007467300000000 ] - [ -0.0004046800000000, -0.0004355600000000, -0.0002913400000000 ] - [ -0.0009699100000000, -0.0008621800000000, -0.0043974700000000 ] - [ 0.0003502400000000, 0.0007224600000000, 0.0007764300000000 ] - [ 0.0026479800000000, -0.0016160800000000, 0.0036499900000000 ] - [ -0.0006845900000000, 0.0003617800000000, 0.0007679900000000 ] - [ -0.0000831400000000, -0.0005462700000000, 0.0027105700000000 ] - [ 0.0001462200000000, 0.0006178400000000, 0.0008027200000000 ] - [ 0.0015435100000000, 0.0002826100000000, -0.0005459100000000 ] - [ -0.0004602400000000, 0.0004859000000000, 0.0005912800000000 ] - [ 0.0000430500000000, 0.0002884700000000, 0.0004825800000000 ] - [ -0.0002820200000000, -0.0003241900000000, 0.0007674000000000 ] - [ -0.0000964900000000, -0.0015606000000000, 0.0010530600000000 ] - [ 0.0000484400000000, -0.0008222800000000, 0.0007408400000000 ] - [ -0.0229124900000000, 0.0124386200000000, -0.0067549400000000 ] - [ -0.0005305700000000, 0.0001247700000000, 0.0005472200000000 ] - [ -0.0002047300000000, -0.0032720300000000, 0.0003371700000000 ] - [ 0.0001233800000000, -0.0009735600000000, 0.0006578200000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002430800000000, 0.0000091600000000, 0.0000865100000000 ] - [ 0.0002929600000000, -0.0002189300000000, -0.0001518500000000 ] - [ -0.0000794100000000, -0.0008772300000000, -0.0007868000000000 ] - [ 0.0002413200000000, -0.0005368200000000, -0.0002521200000000 ] - [ -0.0010830900000000, 0.0020713300000000, -0.0009332900000000 ] - [ 0.0003572400000000, -0.0001623600000000, -0.0002060800000000 ] - [ -0.0014636800000000, -0.0178465100000000, -0.0057275200000000 ] - [ 0.0002622700000000, -0.0005414600000000, -0.0001734000000000 ] - [ 0.0001660900000000, -0.0004152700000000, -0.0002953600000000 ] - [ 0.0002523100000000, -0.0004599100000000, -0.0004294500000000 ] - [ 0.0001027200000000, 0.0010310500000000, -0.0002053600000000 ] - [ 0.0003341800000000, 0.0010542300000000, -0.0002091600000000 ] - [ 0.0009357700000000, -0.0003864200000000, -0.0002888700000000 ] - [ 0.0000251200000000, -0.0002647100000000, -0.0001502000000000 ] - [ 0.0000107200000000, 0.0008798100000000, -0.0002300400000000 ] - [ 0.0003538800000000, 0.0008186900000000, -0.0001934600000000 ] - [ -0.0001643200000000, -0.0000815800000000, -0.0000338100000000 ] - [ -0.0003772000000000, -0.0001158500000000, -0.0000420700000000 ] - [ -0.0003273000000000, -0.0007480900000000, -0.0003672600000000 ] - [ 0.0000753400000000, -0.0006824100000000, -0.0004048000000000 ] - [ 0.0020711700000000, 0.0011624500000000, -0.0006926700000000 ] - [ -0.0010087500000000, 0.0001363200000000, -0.0005305400000000 ] - [ -0.0018710000000000, -0.0008122300000000, 0.0000102400000000 ] - [ 0.0008008900000000, -0.0007746300000000, 0.0000947800000000 ] - [ -0.0005736700000000, -0.0054978800000000, -0.0014819400000000 ] - [ -0.0001545900000000, 0.0001321700000000, -0.0002246600000000 ] - [ -0.0002773800000000, 0.0014755400000000, -0.0002280500000000 ] - [ -0.0001601700000000, 0.0006268100000000, -0.0002107700000000 ] - [ -0.0006802600000000, -0.0013971100000000, 0.0006265300000000 ] - [ -0.0001319500000000, 0.0001631100000000, -0.0001770400000000 ] - [ -0.0002114100000000, 0.0011581300000000, -0.0002103700000000 ] - [ -0.0001481200000000, 0.0005934500000000, -0.0002036200000000 ] - [ 0.0012552100000000, 0.0015818400000000, -0.0024198400000000 ] - [ -0.0002246000000000, 0.0004143300000000, -0.0005818300000000 ] - [ -0.0003167000000000, -0.0017234600000000, 0.0002551900000000 ] - [ 0.0000955400000000, -0.0003176500000000, -0.0005560400000000 ] - [ 0.0010349100000000, 0.0001937700000000, 0.0013643700000000 ] - [ -0.0004047700000000, 0.0002609000000000, -0.0006429700000000 ] - [ -0.0004365200000000, -0.0010910900000000, -0.0008475200000000 ] - [ 0.0000615800000000, -0.0002042500000000, -0.0006057100000000 ] - [ 0.0028785100000000, -0.0046570600000000, -0.0017935900000000 ] - [ -0.0009045900000000, -0.0005448000000000, 0.0002407500000000 ] - [ -0.0040757400000000, -0.0055344800000000, 0.0013214700000000 ] - [ 0.0002797200000000, -0.0006647900000000, 0.0003033800000000 ] - [ 0.0001699700000000, -0.0009339300000000, 0.0005526700000000 ] - [ -0.0002237100000000, -0.0006860200000000, 0.0004775700000000 ] - [ -0.0006462100000000, -0.0008948600000000, -0.0001447800000000 ] - [ 0.0000721800000000, -0.0006424800000000, 0.0003348600000000 ] - [ -0.0116511400000000, -0.0134986300000000, 0.0009206000000000 ] - [ 0.0001755700000000, 0.0003258800000000, -0.0005268900000000 ] - [ 0.0028196100000000, -0.0063725700000000, -0.0010955300000000 ] - [ -0.0004587700000000, -0.0003066700000000, -0.0007048400000000 ] - [ -0.0000016800000000, 0.0000859900000000, -0.0004844400000000 ] - [ 0.0000644700000000, 0.0000892500000000, -0.0006050200000000 ] - [ 0.0004302000000000, -0.0003665500000000, -0.0006219200000000 ] - [ -0.0002168400000000, -0.0001436400000000, -0.0005770400000000 ] - [ -0.0002431300000000, 0.0024245600000000, -0.0013693000000000 ] - [ 0.0000391900000000, 0.0010667200000000, 0.0003858000000000 ] - [ 0.0002045700000000, -0.0005646700000000, 0.0008269200000000 ] - [ -0.0001493700000000, 0.0002915400000000, 0.0004422500000000 ] - [ -0.0024643700000000, 0.0043254600000000, 0.0048257000000000 ] - [ -0.0000063400000000, 0.0010384000000000, 0.0001841600000000 ] - [ 0.0001975900000000, -0.0008017800000000, -0.0002214600000000 ] - [ -0.0001456800000000, 0.0003568400000000, 0.0003378800000000 ] - [ 0.0536439500000000, 0.1103465300000000, -0.0350601000000000 ] - [ -0.0004884200000000, -0.0000102100000000, -0.0000180400000000 ] - [ -0.0001513500000000, -0.0029923200000000, 0.0002155500000000 ] - [ -0.0003671300000000, -0.0006862100000000, 0.0001340300000000 ] - [ 0.0002101900000000, 0.0006392700000000, 0.0000041100000000 ] - [ -0.0002465200000000, -0.0001351000000000, 0.0000678700000000 ] - [ -0.0001055100000000, -0.0010938800000000, 0.0001587400000000 ] - [ -0.0003264000000000, -0.0006053200000000, 0.0001291800000000 ] - [ 0.0007315900000000, -0.0004977300000000, -0.0010531800000000 ] - [ -0.0001795400000000, 0.0001783500000000, -0.0000292100000000 ] - [ -0.0011642300000000, -0.0016037400000000, 0.0045530300000000 ] - [ 0.0002309900000000, 0.0004798700000000, 0.0001267800000000 ] - [ 0.0008331100000000, -0.0004987800000000, 0.0008898000000000 ] - [ -0.0001910100000000, 0.0001784000000000, 0.0000675600000000 ] - [ -0.0009085100000000, -0.0015993200000000, -0.0045867700000000 ] - [ 0.0001515200000000, 0.0004798200000000, 0.0000439200000000 ] - [ -0.0012813800000000, -0.0001249800000000, -0.0005353900000000 ] - [ 0.0007728000000000, -0.0001412000000000, -0.0007237200000000 ] - [ 0.0007095700000000, 0.0006765400000000, 0.0003109400000000 ] - [ -0.0015687900000000, 0.0007949500000000, 0.0007994800000000 ] - [ -0.0011378900000000, -0.0001417500000000, 0.0008651800000000 ] - [ 0.0003752800000000, -0.0001314400000000, 0.0002194500000000 ] - [ 0.0003572500000000, 0.0007997800000000, -0.0002239700000000 ] - [ -0.0012190300000000, 0.0006738700000000, -0.0002015200000000 ] - [ 0.0019515800000000, 0.0052023900000000, -0.0004731100000000 ] - [ -0.0012223900000000, 0.0003900600000000, 0.0002453400000000 ] - [ 0.0007099800000000, -0.0029394200000000, 0.0002818800000000 ] - [ -0.0001568700000000, -0.0013959500000000, 0.0001680700000000 ] - [ -0.0002276200000000, 0.0001849200000000, 0.0001091600000000 ] - [ 0.0003842800000000, 0.0001656000000000, 0.0000759600000000 ] - [ 0.0005007200000000, -0.0008878900000000, 0.0001957500000000 ] - [ -0.0000665900000000, -0.0008030900000000, 0.0001047600000000 ] - [ -0.0017565900000000, 0.0001683600000000, 0.0035887100000000 ] - [ 0.0011262000000000, -0.0004549400000000, 0.0000451500000000 ] - [ 0.0034504200000000, 0.0022964100000000, -0.0034369700000000 ] - [ -0.0006185500000000, 0.0002170700000000, -0.0001232400000000 ] - [ -0.0008320100000000, 0.0008169100000000, -0.0009126200000000 ] - [ 0.0009363300000000, -0.0003155600000000, -0.0005908800000000 ] - [ 0.0026261300000000, 0.0008112300000000, 0.0008273500000000 ] - [ -0.0002888900000000, 0.0000486700000000, -0.0000769100000000 ] - [ -0.0004281700000000, -0.0004588900000000, 0.0003425700000000 ] - [ -0.0000616900000000, -0.0001474400000000, -0.0002599300000000 ] - [ -0.0003100200000000, 0.0011188600000000, -0.0006674400000000 ] - [ 0.0002717400000000, 0.0004985900000000, -0.0003252900000000 ] - [ -0.0611580800000000, -0.0614451900000000, 0.0288080300000000 ] - [ 0.0003192900000000, -0.0008036000000000, 0.0001712300000000 ] - [ -0.0002562500000000, 0.0054837800000000, 0.0002739500000000 ] - [ 0.0004093000000000, 0.0006879800000000, -0.0001810700000000 ] - [ 0.0009674900000000, 0.0019989600000000, 0.0058188500000000 ] - [ -0.0003486200000000, 0.0004100600000000, 0.0006759800000000 ] - [ -0.0026605500000000, 0.0027532200000000, -0.0022188800000000 ] - [ 0.0006897100000000, 0.0007677600000000, 0.0006851400000000 ] - [ 0.0000826000000000, 0.0016981800000000, -0.0012516600000000 ] - [ -0.0001455500000000, 0.0005140500000000, 0.0006482600000000 ] - [ -0.0015481700000000, 0.0008440300000000, 0.0020052400000000 ] - [ 0.0004641300000000, 0.0006439800000000, 0.0008604900000000 ] - [ -0.0000433300000000, -0.0014218400000000, 0.0009706300000000 ] - [ 0.0002852200000000, -0.0008068100000000, 0.0006835800000000 ] - [ 0.0000992800000000, 0.0004318900000000, 0.0003966400000000 ] - [ -0.0000483500000000, -0.0003094800000000, 0.0007106000000000 ] - [ 0.0225692200000000, -0.0136947000000000, 0.0081037600000000 ] - [ 0.0005487500000000, -0.0012404600000000, 0.0008999100000000 ] - [ 0.0002117200000000, 0.0021482200000000, 0.0011192500000000 ] - [ -0.0001277100000000, -0.0001602600000000, 0.0007956900000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002031600000000, -0.0003511500000000, -0.0007211800000000 ] - [ 0.0002858400000000, -0.0003417000000000, -0.0003040200000000 ] - [ 0.0001269300000000, -0.0002967200000000, -0.0015352500000000 ] - [ 0.0002538200000000, -0.0003645700000000, -0.0003204600000000 ] - [ -0.0000130700000000, -0.0002548300000000, 0.0004925700000000 ] - [ 0.0002866200000000, -0.0003592600000000, -0.0000668500000000 ] - [ 0.0001038800000000, 0.0044572300000000, 0.0071965900000000 ] - [ 0.0002502900000000, -0.0004047700000000, -0.0000677300000000 ] - [ -0.0012849600000000, 0.0004307600000000, 0.0000407700000000 ] - [ 0.0011475900000000, 0.0005290700000000, -0.0000414200000000 ] - [ 0.0001268900000000, 0.0004233600000000, -0.0000869200000000 ] - [ 0.0004039800000000, 0.0003542600000000, -0.0001133600000000 ] - [ 0.0022415200000000, -0.0008435000000000, -0.0009882500000000 ] - [ -0.0004316000000000, 0.0000397500000000, -0.0004073100000000 ] - [ 0.0002256900000000, 0.0005946700000000, -0.0003328500000000 ] - [ 0.0000698700000000, 0.0004672700000000, -0.0002959700000000 ] - [ -0.0002298700000000, -0.0003270800000000, -0.0004531400000000 ] - [ -0.0002683400000000, -0.0003820300000000, -0.0005541900000000 ] - [ -0.0003010600000000, -0.0003447500000000, -0.0005520000000000 ] - [ -0.0001809800000000, -0.0002930100000000, -0.0005890300000000 ] - [ -0.0000472800000000, -0.0001444600000000, 0.0000142700000000 ] - [ -0.0001548600000000, -0.0003036100000000, 0.0001608300000000 ] - [ 0.0000178900000000, -0.0006326700000000, 0.0003594200000000 ] - [ -0.0000843100000000, -0.0004623900000000, 0.0002785400000000 ] - [ -0.0013887500000000, 0.0017195100000000, 0.0178223600000000 ] - [ -0.0001669300000000, 0.0003548400000000, -0.0001373700000000 ] - [ -0.0003518400000000, 0.0003931900000000, -0.0000278600000000 ] - [ -0.0001912500000000, 0.0004016900000000, -0.0001548200000000 ] - [ -0.0015554200000000, -0.0001496300000000, -0.0041912400000000 ] - [ -0.0000881100000000, 0.0002968900000000, -0.0002771800000000 ] - [ -0.0001641400000000, 0.0005476700000000, -0.0003631300000000 ] - [ -0.0001518900000000, 0.0004416700000000, -0.0002470200000000 ] - [ -0.0039279400000000, 0.0030467200000000, 0.0031846500000000 ] - [ 0.0002172200000000, 0.0000863000000000, -0.0006702100000000 ] - [ -0.0004801800000000, -0.0009437500000000, -0.0004381500000000 ] - [ 0.0000931400000000, -0.0001480300000000, -0.0005820300000000 ] - [ 0.0023404100000000, -0.0027527800000000, 0.0033049500000000 ] - [ -0.0009165200000000, 0.0000196600000000, -0.0006483800000000 ] - [ 0.0005715400000000, 0.0007225900000000, -0.0007804000000000 ] - [ -0.0001625700000000, 0.0001051500000000, -0.0005930100000000 ] - [ -0.0002296400000000, -0.0002898000000000, -0.0013997800000000 ] - [ -0.0001157100000000, -0.0006980600000000, 0.0000109100000000 ] - [ -0.0008401900000000, -0.0022872600000000, -0.0014996600000000 ] - [ 0.0000306200000000, -0.0007580400000000, 0.0000385600000000 ] - [ 0.0000656100000000, -0.0010081600000000, 0.0020994800000000 ] - [ -0.0001476000000000, -0.0006715400000000, 0.0007544100000000 ] - [ 0.0004279300000000, -0.0004692400000000, 0.0019666100000000 ] - [ -0.0000787000000000, -0.0006312800000000, 0.0006984700000000 ] - [ 0.0002166800000000, -0.0010728800000000, -0.0062276600000000 ] - [ -0.0000997600000000, -0.0000019700000000, -0.0009312300000000 ] - [ 0.0001064200000000, -0.0002950100000000, -0.0021838300000000 ] - [ -0.0001587400000000, -0.0001155600000000, -0.0009174600000000 ] - [ 0.0000474100000000, 0.0007929500000000, 0.0023317700000000 ] - [ -0.0000473800000000, 0.0000899800000000, -0.0002445000000000 ] - [ 0.0000865800000000, 0.0000631500000000, 0.0004930200000000 ] - [ -0.0000275000000000, 0.0000027600000000, -0.0002825600000000 ] - [ 0.0031821000000000, 0.0029846200000000, 0.0071887300000000 ] - [ -0.0003982000000000, 0.0007208900000000, 0.0006082500000000 ] - [ 0.0002576900000000, 0.0002520700000000, 0.0008357600000000 ] - [ -0.0001586400000000, 0.0006251500000000, 0.0005477100000000 ] - [ -0.0117382900000000, -0.0071192700000000, 0.0135208000000000 ] - [ 0.0001325700000000, 0.0007667600000000, 0.0000287900000000 ] - [ -0.0001298200000000, 0.0007199600000000, -0.0001778400000000 ] - [ 0.0000335400000000, 0.0006512600000000, 0.0001524200000000 ] - [ 0.0451388100000000, 0.0353516800000000, -0.0958967000000000 ] - [ -0.0004112000000000, -0.0002636400000000, -0.0001150600000000 ] - [ 0.0000903100000000, -0.0004935200000000, -0.0003448200000000 ] - [ -0.0002931100000000, -0.0004084700000000, -0.0000437100000000 ] - [ -0.0001713600000000, -0.0002811200000000, 0.0026057900000000 ] - [ -0.0003340500000000, -0.0003449400000000, 0.0002867200000000 ] - [ -0.0001790900000000, -0.0004313900000000, 0.0005387800000000 ] - [ -0.0002635600000000, -0.0004064100000000, 0.0002215000000000 ] - [ 0.0004231600000000, 0.0011749300000000, 0.0001108300000000 ] - [ 0.0000987600000000, 0.0003455000000000, 0.0000623000000000 ] - [ -0.0016236700000000, -0.0043215400000000, 0.0038103500000000 ] - [ 0.0002342800000000, 0.0003202500000000, 0.0000692500000000 ] - [ 0.0007345400000000, -0.0007781300000000, 0.0001194400000000 ] - [ -0.0001729200000000, 0.0002461800000000, 0.0000614100000000 ] - [ 0.0020641000000000, 0.0047869700000000, 0.0037814300000000 ] - [ -0.0000574000000000, 0.0004063600000000, 0.0000704100000000 ] - [ 0.0001322700000000, 0.0004954400000000, -0.0000379700000000 ] - [ -0.0008625100000000, 0.0011464100000000, 0.0000965900000000 ] - [ 0.0006143400000000, 0.0000751700000000, 0.0000368500000000 ] - [ -0.0013247600000000, 0.0000500600000000, 0.0001987600000000 ] - [ -0.0011769000000000, -0.0004419900000000, 0.0001058300000000 ] - [ 0.0004637400000000, -0.0002617400000000, -0.0000361300000000 ] - [ -0.0009388800000000, 0.0010731700000000, 0.0002032500000000 ] - [ 0.0006647300000000, 0.0005891400000000, 0.0000401600000000 ] - [ 0.0015319800000000, 0.0001973600000000, -0.0049227300000000 ] - [ -0.0008556000000000, -0.0005284700000000, -0.0006011400000000 ] - [ 0.0002112600000000, -0.0005580600000000, -0.0001557700000000 ] - [ -0.0000418200000000, -0.0004435300000000, -0.0002192700000000 ] - [ 0.0005061900000000, -0.0003872200000000, 0.0024738000000000 ] - [ 0.0000626800000000, -0.0003505600000000, 0.0008147600000000 ] - [ 0.0002865500000000, -0.0004717000000000, 0.0003827900000000 ] - [ 0.0001856100000000, -0.0003836100000000, 0.0003676400000000 ] - [ 0.0011396500000000, -0.0041484800000000, 0.0007794700000000 ] - [ -0.0001514600000000, -0.0001747800000000, 0.0001608400000000 ] - [ 0.0036414500000000, 0.0027753100000000, 0.0005011500000000 ] - [ -0.0004760500000000, 0.0002128900000000, 0.0001952000000000 ] - [ -0.0007123800000000, 0.0030678900000000, -0.0013345100000000 ] - [ 0.0010870900000000, 0.0000960300000000, -0.0008426500000000 ] - [ -0.0028697300000000, -0.0013743700000000, -0.0014103400000000 ] - [ 0.0005994400000000, -0.0004219500000000, -0.0006604500000000 ] - [ -0.0001357500000000, -0.0005847200000000, -0.0063784900000000 ] - [ 0.0002844800000000, 0.0000309500000000, -0.0008205800000000 ] - [ -0.0001723600000000, 0.0001296300000000, -0.0011166600000000 ] - [ 0.0000971800000000, 0.0001252000000000, -0.0006234900000000 ] - [ -0.0492194500000000, -0.0285771200000000, 0.0481368700000000 ] - [ 0.0002557600000000, -0.0001595600000000, 0.0004379400000000 ] - [ -0.0001233400000000, 0.0005569400000000, 0.0004376900000000 ] - [ 0.0002125300000000, 0.0002616800000000, 0.0001503800000000 ] - [ -0.0014285500000000, -0.0022646200000000, 0.0011991500000000 ] - [ 0.0004917200000000, 0.0005582900000000, 0.0009026100000000 ] - [ -0.0023107000000000, 0.0032812400000000, 0.0004240000000000 ] - [ 0.0004623000000000, 0.0008051000000000, 0.0008623100000000 ] - [ -0.0000691300000000, 0.0049738100000000, -0.0010168300000000 ] - [ -0.0002263500000000, 0.0004829000000000, 0.0005309100000000 ] - [ 0.0011265500000000, -0.0009286000000000, -0.0001787700000000 ] - [ -0.0001669900000000, 0.0003927300000000, 0.0005851900000000 ] - [ 0.0001240800000000, -0.0007508200000000, -0.0022535600000000 ] - [ -0.0000260600000000, -0.0007019000000000, 0.0002732100000000 ] - [ 0.0000674700000000, -0.0005267900000000, -0.0001493600000000 ] - [ 0.0000029000000000, -0.0005682500000000, 0.0004862100000000 ] - [ 0.0165578800000000, -0.0074734000000000, 0.0090141200000000 ] - [ 0.0004215300000000, -0.0007959900000000, 0.0012440600000000 ] - [ -0.0001493000000000, -0.0001245200000000, 0.0016466500000000 ] - [ 0.0000877200000000, -0.0004602900000000, 0.0010070200000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002258500000000, -0.0004060300000000, 0.0003290300000000 ] - [ 0.0001410300000000, -0.0004113600000000, -0.0000881600000000 ] - [ 0.0003008200000000, -0.0004557800000000, 0.0011399700000000 ] - [ 0.0001728900000000, -0.0003834400000000, -0.0000731600000000 ] - [ 0.0004309500000000, -0.0004927200000000, -0.0008895400000000 ] - [ 0.0001388800000000, -0.0003938600000000, -0.0003258000000000 ] - [ 0.0003035300000000, -0.0052847600000000, -0.0075380000000000 ] - [ 0.0001744300000000, -0.0003481700000000, -0.0003252300000000 ] - [ 0.0017002000000000, 0.0003248500000000, -0.0004186800000000 ] - [ -0.0007134300000000, 0.0002254000000000, -0.0003490200000000 ] - [ 0.0002967100000000, 0.0003341900000000, -0.0003021100000000 ] - [ 0.0000226700000000, 0.0004011400000000, -0.0002780600000000 ] - [ -0.0018202000000000, 0.0015976800000000, 0.0005884100000000 ] - [ 0.0008577000000000, 0.0007117300000000, 0.0000103500000000 ] - [ 0.0001985900000000, 0.0001625500000000, -0.0000597700000000 ] - [ 0.0003575500000000, 0.0002868300000000, -0.0000987400000000 ] - [ -0.0002030400000000, -0.0004291300000000, 0.0000664200000000 ] - [ -0.0001666600000000, -0.0003703200000000, 0.0001636200000000 ] - [ -0.0001302400000000, -0.0004029500000000, 0.0001630400000000 ] - [ -0.0002510400000000, -0.0004570100000000, 0.0001981700000000 ] - [ -0.0003714000000000, -0.0006021400000000, -0.0004075400000000 ] - [ -0.0002799300000000, -0.0004483300000000, -0.0005506300000000 ] - [ -0.0004499500000000, -0.0001272300000000, -0.0007549600000000 ] - [ -0.0003498700000000, -0.0002915100000000, -0.0006678700000000 ] - [ 0.0007366100000000, -0.0009217800000000, -0.0167201200000000 ] - [ -0.0002667700000000, 0.0003983700000000, -0.0002512700000000 ] - [ -0.0000828500000000, 0.0003636700000000, -0.0003588800000000 ] - [ -0.0002422700000000, 0.0003553400000000, -0.0002331000000000 ] - [ 0.0011278200000000, 0.0009068300000000, 0.0038364600000000 ] - [ -0.0003426300000000, 0.0004563500000000, -0.0001131900000000 ] - [ -0.0002710400000000, 0.0002082100000000, -0.0000273500000000 ] - [ -0.0002812400000000, 0.0003130500000000, -0.0001432900000000 ] - [ 0.0038934800000000, -0.0029909900000000, -0.0043481600000000 ] - [ -0.0002150500000000, -0.0000571300000000, -0.0005279400000000 ] - [ 0.0004782300000000, 0.0009640600000000, -0.0007559100000000 ] - [ -0.0000929200000000, 0.0001790500000000, -0.0006094200000000 ] - [ -0.0023554200000000, 0.0027846000000000, -0.0044972800000000 ] - [ 0.0009211500000000, 0.0000040400000000, -0.0005335000000000 ] - [ -0.0005747000000000, -0.0007015800000000, -0.0004068200000000 ] - [ 0.0001626100000000, -0.0000779700000000, -0.0005950500000000 ] - [ 0.0002409300000000, -0.0010936000000000, 0.0020792400000000 ] - [ 0.0001098800000000, -0.0006712100000000, 0.0006846100000000 ] - [ 0.0008417900000000, 0.0009180800000000, 0.0021830100000000 ] - [ -0.0000315300000000, -0.0006023900000000, 0.0006576800000000 ] - [ -0.0000662500000000, -0.0003530900000000, -0.0013959000000000 ] - [ 0.0001489700000000, -0.0006917200000000, -0.0000569700000000 ] - [ -0.0004307000000000, -0.0008970800000000, -0.0012715300000000 ] - [ 0.0000807700000000, -0.0007345200000000, 0.0000009900000000 ] - [ -0.0002563200000000, 0.0009913500000000, 0.0050482100000000 ] - [ 0.0001014700000000, -0.0000225300000000, -0.0002580800000000 ] - [ -0.0001076900000000, 0.0002770100000000, 0.0009906300000000 ] - [ 0.0001578400000000, 0.0000872900000000, -0.0002733900000000 ] - [ -0.0000440100000000, -0.0008100000000000, -0.0035220300000000 ] - [ 0.0000456600000000, -0.0001201100000000, -0.0009451500000000 ] - [ -0.0000819900000000, -0.0000955700000000, -0.0016828000000000 ] - [ 0.0000258500000000, -0.0000299600000000, -0.0009077300000000 ] - [ -0.0031490100000000, -0.0016041200000000, -0.0064452500000000 ] - [ 0.0003932600000000, 0.0006416700000000, 0.0000870500000000 ] - [ -0.0002549900000000, 0.0011084400000000, -0.0001398900000000 ] - [ 0.0001617500000000, 0.0007377100000000, 0.0001493900000000 ] - [ 0.0119239400000000, 0.0085785900000000, -0.0130145700000000 ] - [ -0.0001312300000000, 0.0005941600000000, 0.0006703500000000 ] - [ 0.0001332200000000, 0.0006414800000000, 0.0008846600000000 ] - [ -0.0000309200000000, 0.0007108200000000, 0.0005465900000000 ] - [ -0.0461264800000000, -0.0365336700000000, 0.0940316500000000 ] - [ 0.0000522900000000, -0.0004487700000000, 0.0002729300000000 ] - [ -0.0004338000000000, -0.0002125300000000, 0.0004947600000000 ] - [ -0.0000573000000000, -0.0002943000000000, 0.0001936600000000 ] - [ -0.0001823700000000, -0.0004282800000000, -0.0024493400000000 ] - [ -0.0000172000000000, -0.0003615400000000, -0.0001367800000000 ] - [ -0.0001690200000000, -0.0002699100000000, -0.0003866500000000 ] - [ -0.0000869500000000, -0.0002967200000000, -0.0000718700000000 ] - [ -0.0000700400000000, -0.0004636000000000, 0.0000302600000000 ] - [ 0.0002517200000000, 0.0003565400000000, 0.0000882000000000 ] - [ 0.0019630100000000, 0.0049872200000000, -0.0036271300000000 ] - [ 0.0001176700000000, 0.0003847000000000, 0.0000811600000000 ] - [ -0.0003812500000000, 0.0014890800000000, 0.0000407700000000 ] - [ 0.0005258900000000, 0.0004588500000000, 0.0000908500000000 ] - [ -0.0017280500000000, -0.0041305000000000, -0.0036609600000000 ] - [ 0.0004100200000000, 0.0002999300000000, 0.0000841900000000 ] - [ -0.0004814400000000, 0.0002091700000000, 0.0001842400000000 ] - [ 0.0005099900000000, -0.0004335900000000, 0.0000469000000000 ] - [ -0.0009604900000000, 0.0006282800000000, 0.0001122200000000 ] - [ 0.0009670600000000, 0.0006514100000000, -0.0000488700000000 ] - [ 0.0008287200000000, 0.0011545700000000, 0.0000545600000000 ] - [ -0.0008162700000000, 0.0009700200000000, 0.0001892500000000 ] - [ 0.0005913300000000, -0.0003703700000000, -0.0000471500000000 ] - [ -0.0010212200000000, 0.0001196800000000, 0.0001158200000000 ] - [ -0.0012476100000000, -0.0009163300000000, 0.0050790000000000 ] - [ 0.0012171500000000, -0.0001801200000000, 0.0007544000000000 ] - [ 0.0001370900000000, -0.0001484700000000, 0.0003068700000000 ] - [ 0.0003947600000000, -0.0002627100000000, 0.0003741200000000 ] - [ -0.0001413100000000, -0.0003272700000000, -0.0023178000000000 ] - [ 0.0002853100000000, -0.0003562300000000, -0.0006605900000000 ] - [ 0.0000681900000000, -0.0002321200000000, -0.0002324700000000 ] - [ 0.0001660500000000, -0.0003209000000000, -0.0002119700000000 ] - [ -0.0011304500000000, 0.0038669500000000, -0.0012332500000000 ] - [ 0.0001552300000000, -0.0000779000000000, -0.0006350100000000 ] - [ -0.0036241900000000, -0.0030083300000000, -0.0009703400000000 ] - [ 0.0004771200000000, -0.0004641100000000, -0.0006654800000000 ] - [ 0.0007155900000000, -0.0033212800000000, 0.0008444800000000 ] - [ -0.0010885400000000, -0.0003464300000000, 0.0003598300000000 ] - [ 0.0028853100000000, 0.0011239900000000, 0.0009245000000000 ] - [ -0.0005982700000000, 0.0001739300000000, 0.0001817800000000 ] - [ 0.0001351100000000, 0.0008368700000000, 0.0058886500000000 ] - [ -0.0002782800000000, 0.0002178700000000, 0.0003396500000000 ] - [ 0.0001704700000000, 0.0001201900000000, 0.0006381200000000 ] - [ -0.0000947000000000, 0.0001244400000000, 0.0001421400000000 ] - [ 0.0500871500000000, 0.0293386100000000, -0.0482814400000000 ] - [ -0.0002550600000000, 0.0004180000000000, -0.0009214500000000 ] - [ 0.0001212700000000, -0.0003080000000000, -0.0009281300000000 ] - [ -0.0002105300000000, -0.0000116500000000, -0.0006351400000000 ] - [ 0.0014192500000000, 0.0033766600000000, 0.0002802600000000 ] - [ -0.0004879000000000, 0.0005704100000000, 0.0005525200000000 ] - [ 0.0022988700000000, -0.0021373600000000, 0.0010364700000000 ] - [ -0.0004575300000000, 0.0003259800000000, 0.0005923600000000 ] - [ 0.0000705300000000, -0.0038630800000000, 0.0024589200000000 ] - [ 0.0002285300000000, 0.0006475900000000, 0.0009187400000000 ] - [ -0.0011324100000000, 0.0020658400000000, 0.0016279700000000 ] - [ 0.0001702000000000, 0.0007383500000000, 0.0008658800000000 ] - [ -0.0001173800000000, -0.0003820000000000, 0.0036976700000000 ] - [ 0.0000213900000000, -0.0004313900000000, 0.0011823300000000 ] - [ -0.0000654400000000, -0.0006018800000000, 0.0016013000000000 ] - [ -0.0000027100000000, -0.0005635300000000, 0.0009674900000000 ] - [ -0.0166042500000000, 0.0063645200000000, -0.0073631300000000 ] - [ -0.0003990800000000, -0.0003234800000000, 0.0001959100000000 ] - [ 0.0001480400000000, -0.0010041400000000, -0.0001966900000000 ] - [ -0.0000845400000000, -0.0006716200000000, 0.0004427800000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005047400000000, 0.0007476800000000, 0.0093749800000000 ] - [ 0.0017310400000000, -0.0006235600000000, -0.0008525200000000 ] - [ -0.0004278400000000, -0.0005793700000000, -0.0002063400000000 ] - [ 0.0008424100000000, -0.0001021500000000, -0.0002730800000000 ] - [ -0.0004622900000000, 0.0005346500000000, -0.0074313000000000 ] - [ 0.0017449400000000, -0.0008602600000000, 0.0002769100000000 ] - [ -0.0003798800000000, -0.0006994400000000, -0.0003198100000000 ] - [ 0.0007772300000000, -0.0001669200000000, -0.0000695800000000 ] - [ 0.0017425900000000, -0.0001663500000000, -0.0004953300000000 ] - [ -0.0008809500000000, 0.0051035100000000, -0.0006673900000000 ] - [ 0.0016536000000000, 0.0011062400000000, -0.0003597500000000 ] - [ 0.0007166200000000, -0.0096385500000000, 0.0014024000000000 ] - [ 0.0009327800000000, 0.0002130500000000, -0.0000376700000000 ] - [ -0.0005074900000000, 0.0005063900000000, -0.0003085300000000 ] - [ 0.0007778900000000, 0.0004924300000000, -0.0000800000000000 ] - [ -0.0004112200000000, 0.0003278300000000, -0.0005330600000000 ] - [ 0.0012985600000000, -0.0001277800000000, 0.0004650400000000 ] - [ 0.0000727600000000, -0.0014808400000000, -0.0097449300000000 ] - [ 0.0004135900000000, -0.0006554400000000, -0.0001155400000000 ] - [ -0.0008573000000000, -0.0001740600000000, -0.0001841400000000 ] - [ 0.0013232800000000, 0.0001133300000000, -0.0006678400000000 ] - [ -0.0008839600000000, -0.0012737700000000, 0.0069947500000000 ] - [ 0.0003481500000000, -0.0005920400000000, -0.0003202200000000 ] - [ -0.0008075000000000, -0.0000531100000000, -0.0000697400000000 ] - [ -0.0013233200000000, -0.0043810100000000, 0.0002685800000000 ] - [ 0.0013091600000000, 0.0009166500000000, 0.0001030400000000 ] - [ 0.0002898600000000, 0.0104241300000000, -0.0017786600000000 ] - [ 0.0012285400000000, -0.0003452900000000, -0.0000278300000000 ] - [ -0.0009411100000000, 0.0002536600000000, -0.0000804400000000 ] - [ 0.0005058000000000, 0.0005399800000000, -0.0003522300000000 ] - [ -0.0008438300000000, 0.0004274800000000, 0.0001405200000000 ] - [ 0.0003488800000000, 0.0002668100000000, -0.0003117900000000 ] - [ 0.0281543500000000, 0.0004476700000000, -0.0006879600000000 ] - [ -0.0024845900000000, 0.0000147600000000, -0.0005952500000000 ] - [ 0.0039749300000000, 0.0000170100000000, -0.0005969300000000 ] - [ -0.0015666300000000, 0.0000147900000000, -0.0005948300000000 ] - [ 0.0010897700000000, 0.0000142500000000, -0.0006011300000000 ] - [ -0.0013004100000000, 0.0000140200000000, -0.0005941000000000 ] - [ 0.0013583600000000, 0.0000138800000000, -0.0005932200000000 ] - [ -0.0010025600000000, 0.0000132500000000, -0.0005928500000000 ] - [ 0.0285584700000000, -0.0007094500000000, 0.0008242100000000 ] - [ -0.0024174700000000, -0.0006824600000000, 0.0003487900000000 ] - [ 0.0012321100000000, -0.0006828600000000, 0.0003478300000000 ] - [ -0.0011100500000000, -0.0006823000000000, 0.0003489400000000 ] - [ 0.0047607800000000, -0.0006769900000000, 0.0003566800000000 ] - [ -0.0017740600000000, -0.0006826700000000, 0.0003493300000000 ] - [ 0.0011094200000000, -0.0006820100000000, 0.0003508300000000 ] - [ -0.0010127100000000, -0.0006813400000000, 0.0003483400000000 ] - [ -0.0026335400000000, 0.0031453100000000, 0.0049789300000000 ] - [ -0.0026210400000000, -0.0031486400000000, -0.0061422900000000 ] - [ -0.0004077200000000, -0.0007774400000000, -0.0004052700000000 ] - [ -0.0004104400000000, 0.0007464200000000, -0.0007860300000000 ] - [ -0.0021069100000000, 0.0013658400000000, -0.0048094500000000 ] - [ -0.0021087700000000, -0.0014010100000000, 0.0036104800000000 ] - [ -0.0002001300000000, -0.0009168700000000, -0.0012742500000000 ] - [ -0.0002064500000000, 0.0008901900000000, 0.0000873300000000 ] - [ -0.0024364800000000, 0.0056650800000000, -0.0025934800000000 ] - [ -0.0024270700000000, -0.0042854600000000, 0.0032657100000000 ] - [ -0.0019922900000000, -0.0027260900000000, -0.0004506100000000 ] - [ -0.0020033900000000, 0.0041036100000000, 0.0011434200000000 ] - [ 0.0000227300000000, 0.0018677800000000, 0.0013209700000000 ] - [ 0.0000148700000000, -0.0004990700000000, -0.0006166600000000 ] - [ -0.0005002900000000, 0.0002939100000000, 0.0010180400000000 ] - [ -0.0005038500000000, 0.0010674900000000, -0.0003175000000000 ] - [ 0.0013828800000000, 0.0014111800000000, 0.0012132600000000 ] - [ -0.0020325800000000, -0.0014765800000000, -0.0000770700000000 ] - [ -0.0000094000000000, -0.0038091900000000, 0.0037172700000000 ] - [ -0.0019228300000000, 0.0002658300000000, -0.0004015400000000 ] - [ 0.0020763900000000, 0.0004801800000000, -0.0006380300000000 ] - [ -0.0022166300000000, -0.0012870700000000, 0.0011594100000000 ] - [ 0.0001721600000000, -0.0029738700000000, -0.0027957600000000 ] - [ -0.0018149300000000, -0.0000620500000000, 0.0006729000000000 ] - [ 0.1273200600000000, 0.0644056000000000, 0.0513617300000000 ] - [ -0.0065966000000000, 0.0000279600000000, -0.0001814700000000 ] - [ 0.0021776300000000, 0.0006075600000000, 0.0001974400000000 ] - [ -0.0017421700000000, -0.0000534800000000, -0.0001343400000000 ] - [ 0.0026058000000000, 0.0007822200000000, 0.0002131600000000 ] - [ -0.0019990300000000, 0.0004109700000000, -0.0002059800000000 ] - [ 0.0014311700000000, 0.0006603100000000, 0.0002472900000000 ] - [ -0.0010451200000000, 0.0000835000000000, -0.0000188500000000 ] - [ -0.0069526100000000, 0.0006711800000000, 0.0003300400000000 ] - [ 0.1216049200000000, -0.0597209000000000, -0.0479996400000000 ] - [ -0.0020929100000000, 0.0007635100000000, 0.0002888200000000 ] - [ 0.0018171700000000, 0.0000925600000000, -0.0000486600000000 ] - [ -0.0023499600000000, 0.0002923400000000, 0.0003605000000000 ] - [ 0.0022373700000000, -0.0000743700000000, -0.0000600700000000 ] - [ -0.0013979600000000, 0.0006230200000000, 0.0001701300000000 ] - [ 0.0010758600000000, 0.0000433200000000, -0.0000937900000000 ] - [ -0.0016762700000000, 0.0007784500000000, 0.0002322100000000 ] - [ 0.0017029500000000, -0.0021128800000000, -0.0010614900000000 ] - [ -0.0015694600000000, -0.0009740900000000, 0.0005518400000000 ] - [ 0.0003400500000000, 0.0030815300000000, -0.0035500000000000 ] - [ -0.0018604500000000, 0.0005797700000000, -0.0010135400000000 ] - [ 0.0024034800000000, -0.0011871100000000, 0.0007908900000000 ] - [ -0.0014559200000000, -0.0006414100000000, -0.0005204300000000 ] - [ 0.0005167200000000, 0.0022732600000000, 0.0029586400000000 ] - [ -0.3404268800000000, -0.0045847600000000, -0.0038743800000000 ] - [ 0.0078046600000000, -0.0001276600000000, -0.0002446700000000 ] - [ -0.0021389900000000, -0.0001206300000000, -0.0002401400000000 ] - [ 0.0028000800000000, -0.0001246700000000, -0.0002407000000000 ] - [ -0.0024784200000000, -0.0001302100000000, -0.0002415900000000 ] - [ 0.0032635400000000, -0.0001243800000000, -0.0002433300000000 ] - [ -0.0021128400000000, -0.0001227900000000, -0.0002433200000000 ] - [ 0.0019577300000000, -0.0001233900000000, -0.0002413000000000 ] - [ 0.0008177500000000, -0.0036959700000000, 0.0050774200000000 ] - [ 0.0008363300000000, 0.0039417300000000, -0.0055162100000000 ] - [ 0.0022393500000000, 0.0022253400000000, 0.0022719400000000 ] - [ 0.0022534100000000, -0.0019856500000000, -0.0027636700000000 ] - [ 0.0008170700000000, -0.0052720700000000, -0.0019733700000000 ] - [ 0.0008376100000000, 0.0054729400000000, 0.0014779700000000 ] - [ 0.0022498500000000, 0.0012969000000000, -0.0013074400000000 ] - [ 0.0022446800000000, -0.0010415000000000, 0.0008215300000000 ] - [ 0.0262941900000000, -0.0049798100000000, -0.0022781600000000 ] - [ 0.0260367900000000, 0.0061168200000000, 0.0037425400000000 ] - [ -0.0000623300000000, 0.0015675400000000, 0.0005565700000000 ] - [ -0.0000560600000000, -0.0004421300000000, 0.0008990300000000 ] - [ -0.0000975100000000, 0.0014471600000000, 0.0016014200000000 ] - [ -0.0000877800000000, -0.0003130800000000, -0.0001523800000000 ] - [ 0.0000594200000000, 0.0010055500000000, 0.0010667800000000 ] - [ 0.0000632100000000, 0.0001247100000000, 0.0003835200000000 ] - [ -0.0053971800000000, -0.0005445300000000, 0.0006954800000000 ] - [ 0.0028230500000000, -0.0005664900000000, 0.0007288100000000 ] - [ -0.0052377300000000, -0.0005729700000000, 0.0007216800000000 ] - [ 0.0021897900000000, -0.0005662200000000, 0.0007273300000000 ] - [ -0.0050425300000000, -0.0005328700000000, 0.0007587500000000 ] - [ 0.0025733200000000, -0.0005676900000000, 0.0007243700000000 ] - [ -0.0041146600000000, -0.0005699500000000, 0.0007283800000000 ] - [ 0.0020766500000000, -0.0005650400000000, 0.0007257700000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006554800000000, -0.0019681200000000, 0.0043545700000000 ] - [ 0.0000069100000000, -0.0006482000000000, 0.0003387800000000 ] - [ -0.0002171700000000, 0.0013918800000000, -0.0005316800000000 ] - [ 0.0003464700000000, 0.0000281700000000, -0.0001576300000000 ] - [ 0.0005978400000000, -0.0013932600000000, -0.0036963800000000 ] - [ 0.0001145800000000, -0.0005584200000000, -0.0004768200000000 ] - [ 0.0001108400000000, 0.0007997800000000, 0.0000814100000000 ] - [ 0.0002898300000000, -0.0000485900000000, -0.0002117000000000 ] - [ -0.0002460000000000, 0.0004714700000000, -0.0001021100000000 ] - [ 0.0087568500000000, 0.0083945200000000, 0.0014136800000000 ] - [ 0.0006514500000000, 0.0007742900000000, -0.0002453800000000 ] - [ -0.0057716100000000, 0.0086211400000000, 0.0002785200000000 ] - [ -0.0000146800000000, 0.0004484500000000, -0.0003607400000000 ] - [ 0.0002867700000000, 0.0004908100000000, -0.0010230700000000 ] - [ 0.0003130800000000, 0.0002971800000000, -0.0001499100000000 ] - [ 0.0003948200000000, 0.0001335900000000, -0.0000640200000000 ] - [ -0.0000069100000000, -0.0006482000000000, 0.0003387800000000 ] - [ -0.0006554800000000, -0.0019681200000000, 0.0043545700000000 ] - [ -0.0003464700000000, 0.0000281700000000, -0.0001576300000000 ] - [ 0.0002171700000000, 0.0013918800000000, -0.0005316800000000 ] - [ -0.0001145800000000, -0.0005584200000000, -0.0004768200000000 ] - [ -0.0005978400000000, -0.0013932600000000, -0.0036963800000000 ] - [ -0.0002898300000000, -0.0000485900000000, -0.0002117000000000 ] - [ -0.0001108400000000, 0.0007997800000000, 0.0000814100000000 ] - [ -0.0087568500000000, 0.0083945200000000, 0.0014136800000000 ] - [ 0.0002460000000000, 0.0004714700000000, -0.0001021100000000 ] - [ 0.0057716100000000, 0.0086211400000000, 0.0002785200000000 ] - [ -0.0006514500000000, 0.0007742900000000, -0.0002453800000000 ] - [ -0.0002867700000000, 0.0004908100000000, -0.0010230700000000 ] - [ 0.0000146800000000, 0.0004484500000000, -0.0003607400000000 ] - [ -0.0003948200000000, 0.0001335900000000, -0.0000640200000000 ] - [ -0.0003130800000000, 0.0002971800000000, -0.0001499100000000 ] - [ 0.0000000000000000, 0.1578870200000000, -0.0297069300000000 ] - [ 0.0000000000000000, 0.0011559400000000, -0.0008289800000000 ] - [ 0.0000000000000000, -0.0079738600000000, -0.0009157300000000 ] - [ 0.0000000000000000, -0.0006174300000000, -0.0005955300000000 ] - [ 0.0000000000000000, 0.0015127800000000, 0.0006256800000000 ] - [ 0.0000000000000000, 0.0004366000000000, -0.0005554400000000 ] - [ 0.0000000000000000, -0.0009641500000000, -0.0000128800000000 ] - [ 0.0000000000000000, -0.0003592500000000, -0.0004541200000000 ] - [ 0.0000000000000000, 0.0268043600000000, -0.0089357000000000 ] - [ 0.0000000000000000, 0.0000486600000000, 0.0009579300000000 ] - [ 0.0000000000000000, -0.0035239000000000, 0.0000849800000000 ] - [ 0.0000000000000000, -0.0011783200000000, 0.0002761100000000 ] - [ 0.0000000000000000, 0.0049313100000000, 0.0023661000000000 ] - [ 0.0000000000000000, -0.0001213200000000, 0.0001824200000000 ] - [ 0.0000000000000000, -0.0028183500000000, 0.0003807900000000 ] - [ 0.0000000000000000, -0.0011735700000000, 0.0002903800000000 ] - [ -0.0001713600000000, 0.0030291300000000, 0.0016815800000000 ] - [ 0.0001713600000000, 0.0030291300000000, 0.0016815800000000 ] - [ -0.0000860200000000, -0.0015520200000000, -0.0007744300000000 ] - [ 0.0000860200000000, -0.0015520200000000, -0.0007744300000000 ] - [ -0.0001591200000000, 0.0028654300000000, -0.0025121400000000 ] - [ 0.0001591200000000, 0.0028654300000000, -0.0025121400000000 ] - [ 0.0001814900000000, -0.0014088100000000, -0.0008319800000000 ] - [ -0.0001814900000000, -0.0014088100000000, -0.0008319800000000 ] - [ 0.0039486000000000, 0.0040170500000000, -0.0000012400000000 ] - [ -0.0039486000000000, 0.0040170500000000, -0.0000012400000000 ] - [ -0.0009356000000000, -0.0014393700000000, -0.0001950200000000 ] - [ 0.0009356000000000, -0.0014393700000000, -0.0001950200000000 ] - [ 0.0008641800000000, 0.0017948400000000, 0.0001617300000000 ] - [ -0.0008641800000000, 0.0017948400000000, 0.0001617300000000 ] - [ -0.0003862700000000, 0.0001291800000000, 0.0010795300000000 ] - [ 0.0003862700000000, 0.0001291800000000, 0.0010795300000000 ] - [ 0.0036273200000000, -0.0006450300000000, -0.0039171800000000 ] - [ -0.0013716700000000, -0.0000257400000000, 0.0000287900000000 ] - [ -0.0017711300000000, -0.0027748000000000, 0.0029795600000000 ] - [ 0.0005131200000000, -0.0006989700000000, 0.0004158300000000 ] - [ 0.0055241300000000, -0.0012913900000000, 0.0032755300000000 ] - [ -0.0016372700000000, -0.0001657000000000, 0.0002968900000000 ] - [ -0.0008151400000000, -0.0012892100000000, -0.0011729000000000 ] - [ 0.0001897000000000, -0.0005277500000000, -0.0002220700000000 ] - [ 0.0596925300000000, 0.0620842000000000, 0.0294487800000000 ] - [ 0.0017284500000000, 0.0012865500000000, 0.0003689900000000 ] - [ 0.0010392700000000, -0.0050131200000000, -0.0003606600000000 ] - [ -0.0000119300000000, -0.0002078600000000, -0.0000594700000000 ] - [ 0.0010475500000000, 0.0009395500000000, 0.0007827900000000 ] - [ 0.0001797400000000, 0.0006307600000000, 0.0001695200000000 ] - [ 0.0001939200000000, -0.0006335600000000, 0.0000739800000000 ] - [ 0.0000700300000000, -0.0000179900000000, 0.0000789100000000 ] - [ -0.0017284500000000, 0.0012865500000000, 0.0003689900000000 ] - [ -0.0596925300000000, 0.0620842000000000, 0.0294487800000000 ] - [ 0.0000119300000000, -0.0002078600000000, -0.0000594700000000 ] - [ -0.0010392700000000, -0.0050131200000000, -0.0003606600000000 ] - [ -0.0001797400000000, 0.0006307600000000, 0.0001695200000000 ] - [ -0.0010475500000000, 0.0009395500000000, 0.0007827900000000 ] - [ -0.0000700300000000, -0.0000179900000000, 0.0000789100000000 ] - [ -0.0001939200000000, -0.0006335600000000, 0.0000739800000000 ] - [ 0.0013716700000000, -0.0000257400000000, 0.0000287900000000 ] - [ -0.0036273200000000, -0.0006450300000000, -0.0039171800000000 ] - [ -0.0005131200000000, -0.0006989700000000, 0.0004158300000000 ] - [ 0.0017711300000000, -0.0027748000000000, 0.0029795600000000 ] - [ 0.0016372700000000, -0.0001657000000000, 0.0002968900000000 ] - [ -0.0055241300000000, -0.0012913900000000, 0.0032755300000000 ] - [ -0.0001897000000000, -0.0005277500000000, -0.0002220700000000 ] - [ 0.0008151400000000, -0.0012892100000000, -0.0011729000000000 ] - [ 0.0000000000000000, -0.3244495300000000, -0.0169048000000000 ] - [ 0.0000000000000000, -0.0024618500000000, -0.0013454600000000 ] - [ 0.0000000000000000, 0.0089732700000000, -0.0001557700000000 ] - [ 0.0000000000000000, 0.0007515700000000, -0.0000911900000000 ] - [ 0.0000000000000000, -0.0009106900000000, -0.0028654500000000 ] - [ 0.0000000000000000, -0.0007345000000000, -0.0002625800000000 ] - [ 0.0000000000000000, 0.0015878800000000, -0.0004649100000000 ] - [ 0.0000000000000000, 0.0005361900000000, -0.0002059600000000 ] - [ -0.0053733300000000, -0.0037104600000000, -0.0005466900000000 ] - [ 0.0053733300000000, -0.0037104600000000, -0.0005466900000000 ] - [ 0.0011753300000000, 0.0020305100000000, 0.0007788600000000 ] - [ -0.0011753300000000, 0.0020305100000000, 0.0007788600000000 ] - [ -0.0038065500000000, -0.0036983300000000, 0.0010452100000000 ] - [ 0.0038065500000000, -0.0036983300000000, 0.0010452100000000 ] - [ 0.0021159000000000, 0.0020359700000000, -0.0013070700000000 ] - [ -0.0021159000000000, 0.0020359700000000, -0.0013070700000000 ] - [ 0.0047842000000000, -0.0080432300000000, -0.0017375500000000 ] - [ -0.0047842000000000, -0.0080432300000000, -0.0017375500000000 ] - [ -0.0009782700000000, 0.0024073000000000, 0.0008989600000000 ] - [ 0.0009782700000000, 0.0024073000000000, 0.0008989600000000 ] - [ -0.0003987000000000, -0.0001287800000000, 0.0007891100000000 ] - [ 0.0003987000000000, -0.0001287800000000, 0.0007891100000000 ] - [ -0.0003830300000000, 0.0015809300000000, 0.0005996200000000 ] - [ 0.0003830300000000, 0.0015809300000000, 0.0005996200000000 ] - [ 0.0000000000000000, 0.0027193400000000, -0.0241557100000000 ] - [ 0.0000000000000000, -0.0013046600000000, 0.0010564500000000 ] - [ 0.0000000000000000, 0.0022787800000000, 0.0037333500000000 ] - [ 0.0000000000000000, -0.0001215900000000, 0.0008823400000000 ] - [ 0.0000000000000000, 0.0010900900000000, 0.0165398500000000 ] - [ 0.0000000000000000, -0.0012364400000000, 0.0007187700000000 ] - [ 0.0000000000000000, 0.0017649800000000, -0.0016482400000000 ] - [ 0.0000000000000000, -0.0001172900000000, 0.0004837400000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002211700000000, 0.0011962200000000, -0.0047500900000000 ] - [ 0.0004256100000000, -0.0001072400000000, -0.0007328700000000 ] - [ 0.0006477000000000, -0.0021410800000000, 0.0001418800000000 ] - [ 0.0000850200000000, -0.0007783500000000, -0.0002339100000000 ] - [ -0.0001691000000000, 0.0006104400000000, 0.0033198800000000 ] - [ 0.0003183300000000, -0.0002008700000000, 0.0000883800000000 ] - [ 0.0003240900000000, -0.0015555200000000, -0.0004750000000000 ] - [ 0.0001385000000000, -0.0007024200000000, -0.0001793200000000 ] - [ 0.0006799300000000, 0.0002850300000000, -0.0002891300000000 ] - [ -0.0083632200000000, -0.0077196600000000, -0.0017857300000000 ] - [ -0.0002203700000000, -0.0000241100000000, -0.0001438500000000 ] - [ 0.0060908400000000, -0.0077893800000000, -0.0006650600000000 ] - [ 0.0004467800000000, 0.0003092800000000, -0.0000306900000000 ] - [ 0.0001426500000000, 0.0002668400000000, 0.0006301800000000 ] - [ 0.0001192600000000, 0.0004545100000000, -0.0002418300000000 ] - [ 0.0000356900000000, 0.0006169100000000, -0.0003260600000000 ] - [ -0.0004256100000000, -0.0001072400000000, -0.0007328700000000 ] - [ 0.0002211700000000, 0.0011962200000000, -0.0047500900000000 ] - [ -0.0000850200000000, -0.0007783500000000, -0.0002339100000000 ] - [ -0.0006477000000000, -0.0021410800000000, 0.0001418800000000 ] - [ -0.0003183300000000, -0.0002008700000000, 0.0000883800000000 ] - [ 0.0001691000000000, 0.0006104400000000, 0.0033198800000000 ] - [ -0.0001385000000000, -0.0007024200000000, -0.0001793200000000 ] - [ -0.0003240900000000, -0.0015555200000000, -0.0004750000000000 ] - [ 0.0083632200000000, -0.0077196600000000, -0.0017857300000000 ] - [ -0.0006799300000000, 0.0002850300000000, -0.0002891300000000 ] - [ -0.0060908400000000, -0.0077893800000000, -0.0006650600000000 ] - [ 0.0002203700000000, -0.0000241100000000, -0.0001438500000000 ] - [ -0.0001426500000000, 0.0002668400000000, 0.0006301800000000 ] - [ -0.0004467800000000, 0.0003092800000000, -0.0000306900000000 ] - [ -0.0000356900000000, 0.0006169100000000, -0.0003260600000000 ] - [ -0.0001192600000000, 0.0004545100000000, -0.0002418300000000 ] - [ 0.0000000000000000, -0.1680430000000000, 0.0313317300000000 ] - [ 0.0000000000000000, -0.0011398400000000, -0.0003630900000000 ] - [ 0.0000000000000000, 0.0079004700000000, -0.0002835700000000 ] - [ 0.0000000000000000, 0.0006420000000000, -0.0005954700000000 ] - [ 0.0000000000000000, -0.0015071000000000, -0.0018151600000000 ] - [ 0.0000000000000000, -0.0004169600000000, -0.0006329600000000 ] - [ 0.0000000000000000, 0.0009865500000000, -0.0011738000000000 ] - [ 0.0000000000000000, 0.0003817200000000, -0.0007363900000000 ] - [ 0.0000000000000000, -0.0282903800000000, 0.0105402500000000 ] - [ 0.0000000000000000, -0.0014103100000000, -0.0002679400000000 ] - [ 0.0000000000000000, 0.0021562100000000, 0.0006160600000000 ] - [ 0.0000000000000000, -0.0001814800000000, 0.0004151200000000 ] - [ 0.0000000000000000, -0.0062895400000000, -0.0016717800000000 ] - [ 0.0000000000000000, -0.0012368400000000, 0.0005120500000000 ] - [ 0.0000000000000000, 0.0014517600000000, 0.0003060700000000 ] - [ 0.0000000000000000, -0.0001862300000000, 0.0004024200000000 ] - [ 0.0001842400000000, -0.0030650300000000, -0.0028890100000000 ] - [ -0.0001842400000000, -0.0030650300000000, -0.0028890100000000 ] - [ 0.0000821500000000, 0.0015302600000000, -0.0004172200000000 ] - [ -0.0000821500000000, 0.0015302600000000, -0.0004172200000000 ] - [ 0.0001633100000000, -0.0028922200000000, 0.0013296600000000 ] - [ -0.0001633100000000, -0.0028922200000000, 0.0013296600000000 ] - [ -0.0001824100000000, 0.0013873000000000, -0.0003584900000000 ] - [ 0.0001824100000000, 0.0013873000000000, -0.0003584900000000 ] - [ -0.0039645700000000, -0.0026772700000000, 0.0006873800000000 ] - [ 0.0039645700000000, -0.0026772700000000, 0.0006873800000000 ] - [ 0.0009293600000000, 0.0028069900000000, 0.0008834400000000 ] - [ -0.0009293600000000, 0.0028069900000000, 0.0008834400000000 ] - [ -0.0008702900000000, -0.0004466400000000, 0.0005336900000000 ] - [ 0.0008702900000000, -0.0004466400000000, 0.0005336900000000 ] - [ 0.0003832900000000, 0.0012281100000000, -0.0003829200000000 ] - [ -0.0003832900000000, 0.0012281100000000, -0.0003829200000000 ] - [ -0.0040045000000000, -0.0000730200000000, 0.0041003300000000 ] - [ 0.0010236900000000, -0.0006938200000000, 0.0001246600000000 ] - [ 0.0013949800000000, 0.0020609900000000, -0.0028048200000000 ] - [ -0.0008593800000000, -0.0000050600000000, -0.0002619300000000 ] - [ -0.0058686900000000, 0.0005710300000000, -0.0031124900000000 ] - [ 0.0012826500000000, -0.0005526900000000, -0.0001437100000000 ] - [ 0.0004518300000000, 0.0005851800000000, 0.0013261900000000 ] - [ -0.0005392600000000, -0.0001775200000000, 0.0003761800000000 ] - [ -0.0576207300000000, -0.0611749700000000, -0.0284719600000000 ] - [ -0.0013916000000000, -0.0005721600000000, -0.0002154900000000 ] - [ -0.0006875200000000, 0.0056957600000000, 0.0005065200000000 ] - [ 0.0003666300000000, 0.0009149600000000, 0.0002137900000000 ] - [ -0.0006877600000000, -0.0002222600000000, -0.0006363800000000 ] - [ 0.0001731200000000, 0.0000841400000000, -0.0000165200000000 ] - [ 0.0001572700000000, 0.0013450600000000, 0.0000828200000000 ] - [ 0.0002824300000000, 0.0007249200000000, 0.0000772000000000 ] - [ 0.0013916000000000, -0.0005721600000000, -0.0002154900000000 ] - [ 0.0576207300000000, -0.0611749700000000, -0.0284719600000000 ] - [ -0.0003666300000000, 0.0009149600000000, 0.0002137900000000 ] - [ 0.0006875200000000, 0.0056957600000000, 0.0005065200000000 ] - [ -0.0001731200000000, 0.0000841400000000, -0.0000165200000000 ] - [ 0.0006877600000000, -0.0002222600000000, -0.0006363800000000 ] - [ -0.0002824300000000, 0.0007249200000000, 0.0000772000000000 ] - [ -0.0001572700000000, 0.0013450600000000, 0.0000828200000000 ] - [ -0.0010236900000000, -0.0006938200000000, 0.0001246600000000 ] - [ 0.0040045000000000, -0.0000730200000000, 0.0041003300000000 ] - [ 0.0008593800000000, -0.0000050600000000, -0.0002619300000000 ] - [ -0.0013949800000000, 0.0020609900000000, -0.0028048200000000 ] - [ -0.0012826500000000, -0.0005526900000000, -0.0001437100000000 ] - [ 0.0058686900000000, 0.0005710300000000, -0.0031124900000000 ] - [ 0.0005392600000000, -0.0001775200000000, 0.0003761800000000 ] - [ -0.0004518300000000, 0.0005851800000000, 0.0013261900000000 ] - [ 0.0000000000000000, 0.3342861200000000, 0.0110342200000000 ] - [ 0.0000000000000000, 0.0022223700000000, 0.0008649800000000 ] - [ 0.0000000000000000, -0.0091447000000000, -0.0003412600000000 ] - [ 0.0000000000000000, -0.0010048500000000, -0.0003934300000000 ] - [ 0.0000000000000000, 0.0006705300000000, 0.0023983700000000 ] - [ 0.0000000000000000, 0.0004857500000000, -0.0002247500000000 ] - [ 0.0000000000000000, -0.0018369400000000, -0.0000187300000000 ] - [ 0.0000000000000000, -0.0007852800000000, -0.0002819000000000 ] - [ 0.0053705500000000, 0.0039744700000000, 0.0000695300000000 ] - [ -0.0053705500000000, 0.0039744700000000, 0.0000695300000000 ] - [ -0.0011653700000000, -0.0017874100000000, -0.0012691600000000 ] - [ 0.0011653700000000, -0.0017874100000000, -0.0012691600000000 ] - [ 0.0038297100000000, 0.0039869000000000, -0.0015398100000000 ] - [ -0.0038297100000000, 0.0039869000000000, -0.0015398100000000 ] - [ -0.0020942400000000, -0.0017835200000000, 0.0008154900000000 ] - [ 0.0020942400000000, -0.0017835200000000, 0.0008154900000000 ] - [ -0.0048364300000000, 0.0091938800000000, 0.0031884100000000 ] - [ 0.0048364300000000, 0.0091938800000000, 0.0031884100000000 ] - [ 0.0009854000000000, -0.0012758300000000, 0.0005558600000000 ] - [ -0.0009854000000000, -0.0012758300000000, 0.0005558600000000 ] - [ 0.0003965600000000, 0.0012597700000000, 0.0006625800000000 ] - [ -0.0003965600000000, 0.0012597700000000, 0.0006625800000000 ] - [ 0.0003857800000000, -0.0004465000000000, 0.0008506000000000 ] - [ -0.0003857800000000, -0.0004465000000000, 0.0008506000000000 ] - [ 0.0000000000000000, -0.0038903900000000, 0.0257016700000000 ] - [ 0.0000000000000000, 0.0001749900000000, 0.0003951100000000 ] - [ 0.0000000000000000, -0.0034086100000000, -0.0022426600000000 ] - [ 0.0000000000000000, -0.0010140500000000, 0.0005694700000000 ] - [ 0.0000000000000000, -0.0022162400000000, -0.0152038200000000 ] - [ 0.0000000000000000, 0.0001088800000000, 0.0007327200000000 ] - [ 0.0000000000000000, -0.0028966200000000, 0.0030759200000000 ] - [ 0.0000000000000000, -0.0010167900000000, 0.0009681600000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0052299800000000, 0.0023541700000000, 0.0061745000000000 ] - [ -0.0001897700000000, -0.0002517800000000, 0.0001727900000000 ] - [ 0.0001823400000000, -0.0007162700000000, -0.0000467000000000 ] - [ 0.0000798200000000, -0.0005137300000000, -0.0001534700000000 ] - [ -0.0095566700000000, -0.0052192900000000, 0.0064249700000000 ] - [ 0.0007318100000000, -0.0006167900000000, -0.0002815000000000 ] - [ 0.0002563800000000, 0.0006367700000000, -0.0000488100000000 ] - [ 0.0004878600000000, -0.0001746400000000, -0.0001446900000000 ] - [ 0.0004362700000000, 0.0001361600000000, -0.0009277900000000 ] - [ -0.0014536800000000, -0.0004953100000000, -0.0030274300000000 ] - [ 0.0005459400000000, 0.0007452300000000, -0.0007094900000000 ] - [ 0.0010624800000000, 0.0021852600000000, -0.0036251200000000 ] - [ 0.0000379100000000, 0.0004705400000000, 0.0003074500000000 ] - [ 0.0008370400000000, 0.0008899800000000, 0.0011542000000000 ] - [ 0.0000975400000000, 0.0004014100000000, 0.0001688300000000 ] - [ 0.0003606700000000, 0.0000144100000000, 0.0008759800000000 ] - [ 0.0001897700000000, -0.0002517800000000, 0.0001727900000000 ] - [ -0.0052299800000000, 0.0023541700000000, 0.0061745000000000 ] - [ -0.0000798200000000, -0.0005137300000000, -0.0001534700000000 ] - [ -0.0001823400000000, -0.0007162700000000, -0.0000467000000000 ] - [ -0.0007318100000000, -0.0006167900000000, -0.0002815000000000 ] - [ 0.0095566700000000, -0.0052192900000000, 0.0064249700000000 ] - [ -0.0004878600000000, -0.0001746400000000, -0.0001446900000000 ] - [ -0.0002563800000000, 0.0006367700000000, -0.0000488100000000 ] - [ 0.0014536800000000, -0.0004953100000000, -0.0030274300000000 ] - [ -0.0004362700000000, 0.0001361600000000, -0.0009277900000000 ] - [ -0.0010624800000000, 0.0021852600000000, -0.0036251200000000 ] - [ -0.0005459400000000, 0.0007452300000000, -0.0007094900000000 ] - [ -0.0008370400000000, 0.0008899800000000, 0.0011542000000000 ] - [ -0.0000379100000000, 0.0004705400000000, 0.0003074500000000 ] - [ -0.0003606700000000, 0.0000144100000000, 0.0008759800000000 ] - [ -0.0000975400000000, 0.0004014100000000, 0.0001688300000000 ] - [ 0.0000000000000000, -0.0325550100000000, 0.0339760500000000 ] - [ 0.0000000000000000, 0.0004312600000000, 0.0000280100000000 ] - [ 0.0000000000000000, -0.0016730900000000, 0.0011496000000000 ] - [ 0.0000000000000000, -0.0002106400000000, -0.0001675800000000 ] - [ 0.0000000000000000, 0.0007194700000000, -0.0093756800000000 ] - [ 0.0000000000000000, 0.0001599200000000, -0.0012253400000000 ] - [ 0.0000000000000000, 0.0005480200000000, -0.0019311300000000 ] - [ 0.0000000000000000, 0.0000323100000000, -0.0009785400000000 ] - [ 0.0000000000000000, -0.0163956900000000, 0.1750847500000000 ] - [ 0.0000000000000000, -0.0003285000000000, 0.0014927800000000 ] - [ 0.0000000000000000, -0.0008212300000000, 0.0020643400000000 ] - [ 0.0000000000000000, -0.0007872200000000, 0.0008346200000000 ] - [ 0.0000000000000000, 0.0007529600000000, -0.0115117300000000 ] - [ 0.0000000000000000, -0.0006876900000000, -0.0004374100000000 ] - [ 0.0000000000000000, -0.0007642700000000, -0.0008495800000000 ] - [ 0.0000000000000000, -0.0006900900000000, -0.0000785300000000 ] - [ 0.0043503400000000, 0.0006238400000000, 0.0017187600000000 ] - [ -0.0043503400000000, 0.0006238400000000, 0.0017187600000000 ] - [ 0.0006665900000000, 0.0004524800000000, -0.0001948000000000 ] - [ -0.0006665900000000, 0.0004524800000000, -0.0001948000000000 ] - [ -0.0013155400000000, 0.0003009700000000, -0.0029804100000000 ] - [ 0.0013155400000000, 0.0003009700000000, -0.0029804100000000 ] - [ -0.0001552900000000, -0.0004372200000000, -0.0012473500000000 ] - [ 0.0001552900000000, -0.0004372200000000, -0.0012473500000000 ] - [ -0.0017754100000000, 0.0025755500000000, 0.0004479800000000 ] - [ 0.0017754100000000, 0.0025755500000000, 0.0004479800000000 ] - [ -0.0008229800000000, -0.0010299600000000, 0.0004636100000000 ] - [ 0.0008229800000000, -0.0010299600000000, 0.0004636100000000 ] - [ 0.0009306300000000, 0.0008020400000000, -0.0009697000000000 ] - [ -0.0009306300000000, 0.0008020400000000, -0.0009697000000000 ] - [ 0.0005314600000000, 0.0010288700000000, -0.0005611900000000 ] - [ -0.0005314600000000, 0.0010288700000000, -0.0005611900000000 ] - [ 0.0044718700000000, -0.0041883600000000, 0.0010773000000000 ] - [ -0.0017410000000000, -0.0006365000000000, 0.0004700600000000 ] - [ 0.0034719900000000, 0.0028171300000000, 0.0008111700000000 ] - [ -0.0011869100000000, -0.0004689500000000, 0.0005018900000000 ] - [ -0.0006336700000000, 0.0003181300000000, -0.0010086400000000 ] - [ 0.0004447500000000, -0.0000047300000000, -0.0005244100000000 ] - [ -0.0009163900000000, -0.0014285500000000, -0.0010883300000000 ] - [ 0.0002460900000000, -0.0005137100000000, -0.0003468300000000 ] - [ 0.0478996900000000, 0.0300691100000000, 0.0481461600000000 ] - [ 0.0016182100000000, 0.0007668600000000, 0.0007505600000000 ] - [ -0.0002314500000000, 0.0008641400000000, 0.0007549900000000 ] - [ 0.0003503100000000, 0.0004090900000000, 0.0004688100000000 ] - [ 0.0011893600000000, 0.0009371500000000, -0.0060759500000000 ] - [ -0.0001178400000000, 0.0003340800000000, -0.0005043000000000 ] - [ 0.0003617000000000, -0.0000731300000000, -0.0008021600000000 ] - [ 0.0000133000000000, 0.0002694500000000, -0.0003059600000000 ] - [ -0.0016182100000000, 0.0007668600000000, 0.0007505600000000 ] - [ -0.0478996900000000, 0.0300691100000000, 0.0481461600000000 ] - [ -0.0003503100000000, 0.0004090900000000, 0.0004688100000000 ] - [ 0.0002314500000000, 0.0008641400000000, 0.0007549900000000 ] - [ 0.0001178400000000, 0.0003340800000000, -0.0005043000000000 ] - [ -0.0011893600000000, 0.0009371500000000, -0.0060759500000000 ] - [ -0.0000133000000000, 0.0002694500000000, -0.0003059600000000 ] - [ -0.0003617000000000, -0.0000731300000000, -0.0008021600000000 ] - [ 0.0017410000000000, -0.0006365000000000, 0.0004700600000000 ] - [ -0.0044718700000000, -0.0041883600000000, 0.0010773000000000 ] - [ 0.0011869100000000, -0.0004689500000000, 0.0005018900000000 ] - [ -0.0034719900000000, 0.0028171300000000, 0.0008111700000000 ] - [ -0.0004447500000000, -0.0000047300000000, -0.0005244100000000 ] - [ 0.0006336700000000, 0.0003181300000000, -0.0010086400000000 ] - [ -0.0002460900000000, -0.0005137100000000, -0.0003468300000000 ] - [ 0.0009163900000000, -0.0014285500000000, -0.0010883300000000 ] - [ 0.0000000000000000, -0.0149919500000000, -0.3287246400000000 ] - [ 0.0000000000000000, -0.0012260400000000, -0.0024449500000000 ] - [ 0.0000000000000000, -0.0000276300000000, -0.0025732300000000 ] - [ 0.0000000000000000, 0.0000266600000000, -0.0011010900000000 ] - [ 0.0000000000000000, -0.0027569300000000, 0.0147488700000000 ] - [ 0.0000000000000000, -0.0001469000000000, 0.0008795300000000 ] - [ 0.0000000000000000, -0.0003491700000000, 0.0014566900000000 ] - [ 0.0000000000000000, -0.0000884800000000, 0.0004532600000000 ] - [ 0.0017313700000000, -0.0011685600000000, 0.0016165700000000 ] - [ -0.0017313700000000, -0.0011685600000000, 0.0016165700000000 ] - [ 0.0010673900000000, 0.0011871700000000, 0.0006140900000000 ] - [ -0.0010673900000000, 0.0011871700000000, 0.0006140900000000 ] - [ -0.0052918400000000, 0.0004339300000000, 0.0016298000000000 ] - [ 0.0052918400000000, 0.0004339300000000, 0.0016298000000000 ] - [ -0.0025096100000000, -0.0008972100000000, 0.0006213100000000 ] - [ 0.0025096100000000, -0.0008972100000000, 0.0006213100000000 ] - [ 0.0044708500000000, -0.0031588300000000, -0.0058312100000000 ] - [ -0.0044708500000000, -0.0031588300000000, -0.0058312100000000 ] - [ 0.0000854600000000, 0.0009268400000000, -0.0006565700000000 ] - [ -0.0000854600000000, 0.0009268400000000, -0.0006565700000000 ] - [ -0.0011588300000000, 0.0007233500000000, 0.0031266700000000 ] - [ 0.0011588300000000, 0.0007233500000000, 0.0031266700000000 ] - [ -0.0002586100000000, 0.0005255500000000, 0.0016902700000000 ] - [ 0.0002586100000000, 0.0005255500000000, 0.0016902700000000 ] - [ 0.0000000000000000, -0.0115993400000000, 0.0125629400000000 ] - [ 0.0000000000000000, -0.0005219200000000, 0.0009336500000000 ] - [ 0.0000000000000000, 0.0019907100000000, 0.0022994100000000 ] - [ 0.0000000000000000, -0.0002310000000000, 0.0008566100000000 ] - [ 0.0000000000000000, 0.0252093500000000, 0.0130936900000000 ] - [ 0.0000000000000000, -0.0010461500000000, 0.0008159000000000 ] - [ 0.0000000000000000, -0.0056005700000000, 0.0016604900000000 ] - [ 0.0000000000000000, -0.0007834100000000, 0.0007564300000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0047123200000000, -0.0030714500000000, -0.0065208500000000 ] - [ 0.0006168800000000, -0.0005020700000000, -0.0005678800000000 ] - [ 0.0002496700000000, -0.0000384800000000, -0.0003498000000000 ] - [ 0.0003512800000000, -0.0002406500000000, -0.0002393100000000 ] - [ 0.0100358700000000, 0.0044911000000000, -0.0068963100000000 ] - [ -0.0003040600000000, -0.0001360200000000, -0.0001072800000000 ] - [ 0.0001752500000000, -0.0013944200000000, -0.0003423000000000 ] - [ -0.0000582600000000, -0.0005780300000000, -0.0002470100000000 ] - [ -0.0000066200000000, 0.0006209000000000, 0.0005387100000000 ] - [ 0.0018931200000000, 0.0012712500000000, 0.0026413400000000 ] - [ -0.0001196000000000, 0.0000071800000000, 0.0003212500000000 ] - [ -0.0006181500000000, -0.0014482300000000, 0.0032405400000000 ] - [ 0.0003963200000000, 0.0002870400000000, -0.0007003800000000 ] - [ -0.0004105200000000, -0.0001354600000000, -0.0015465800000000 ] - [ 0.0003338100000000, 0.0003536600000000, -0.0005608100000000 ] - [ 0.0000664600000000, 0.0007462900000000, -0.0012661800000000 ] - [ -0.0006168800000000, -0.0005020700000000, -0.0005678800000000 ] - [ 0.0047123200000000, -0.0030714500000000, -0.0065208500000000 ] - [ -0.0003512800000000, -0.0002406500000000, -0.0002393100000000 ] - [ -0.0002496700000000, -0.0000384800000000, -0.0003498000000000 ] - [ 0.0003040600000000, -0.0001360200000000, -0.0001072800000000 ] - [ -0.0100358700000000, 0.0044911000000000, -0.0068963100000000 ] - [ 0.0000582600000000, -0.0005780300000000, -0.0002470100000000 ] - [ -0.0001752500000000, -0.0013944200000000, -0.0003423000000000 ] - [ -0.0018931200000000, 0.0012712500000000, 0.0026413400000000 ] - [ 0.0000066200000000, 0.0006209000000000, 0.0005387100000000 ] - [ 0.0006181500000000, -0.0014482300000000, 0.0032405400000000 ] - [ 0.0001196000000000, 0.0000071800000000, 0.0003212500000000 ] - [ 0.0004105200000000, -0.0001354600000000, -0.0015465800000000 ] - [ -0.0003963200000000, 0.0002870400000000, -0.0007003800000000 ] - [ -0.0000664600000000, 0.0007462900000000, -0.0012661800000000 ] - [ -0.0003338100000000, 0.0003536600000000, -0.0005608100000000 ] - [ 0.0000000000000000, 0.0326932500000000, -0.0356573200000000 ] - [ 0.0000000000000000, -0.0004125400000000, -0.0012201600000000 ] - [ 0.0000000000000000, 0.0017061600000000, -0.0023398000000000 ] - [ 0.0000000000000000, 0.0002378300000000, -0.0010244800000000 ] - [ 0.0000000000000000, -0.0006870800000000, 0.0081393200000000 ] - [ 0.0000000000000000, -0.0001375500000000, 0.0000349400000000 ] - [ 0.0000000000000000, -0.0005264500000000, 0.0007396100000000 ] - [ 0.0000000000000000, -0.0000106400000000, -0.0002121400000000 ] - [ 0.0000000000000000, 0.0158496400000000, -0.1861699200000000 ] - [ 0.0000000000000000, -0.0010331200000000, -0.0008094400000000 ] - [ 0.0000000000000000, -0.0005413900000000, -0.0013844600000000 ] - [ 0.0000000000000000, -0.0005732800000000, -0.0001444200000000 ] - [ 0.0000000000000000, -0.0020797900000000, 0.0120625000000000 ] - [ 0.0000000000000000, -0.0006718100000000, 0.0011338900000000 ] - [ 0.0000000000000000, -0.0005975200000000, 0.0015466900000000 ] - [ 0.0000000000000000, -0.0006713800000000, 0.0007733500000000 ] - [ -0.0043703800000000, -0.0006500000000000, -0.0029290500000000 ] - [ 0.0043703800000000, -0.0006500000000000, -0.0029290500000000 ] - [ -0.0006690000000000, -0.0004789000000000, -0.0010012600000000 ] - [ 0.0006690000000000, -0.0004789000000000, -0.0010012600000000 ] - [ 0.0013029000000000, -0.0003239600000000, 0.0018022600000000 ] - [ -0.0013029000000000, -0.0003239600000000, 0.0018022600000000 ] - [ 0.0001525100000000, 0.0004118200000000, 0.0000612200000000 ] - [ -0.0001525100000000, 0.0004118200000000, 0.0000612200000000 ] - [ 0.0017865800000000, -0.0012301200000000, 0.0002604600000000 ] - [ -0.0017865800000000, -0.0012301200000000, 0.0002604600000000 ] - [ 0.0008263800000000, 0.0024018500000000, 0.0002343700000000 ] - [ -0.0008263800000000, 0.0024018500000000, 0.0002343700000000 ] - [ -0.0009364500000000, 0.0005562100000000, 0.0016608900000000 ] - [ 0.0009364500000000, 0.0005562100000000, 0.0016608900000000 ] - [ -0.0005343200000000, 0.0003271700000000, 0.0012530400000000 ] - [ 0.0005343200000000, 0.0003271700000000, 0.0012530400000000 ] - [ -0.0048320300000000, 0.0034817800000000, -0.0009334900000000 ] - [ 0.0013921500000000, -0.0000725600000000, -0.0003219500000000 ] - [ -0.0038458600000000, -0.0035507000000000, -0.0006578700000000 ] - [ 0.0008375400000000, -0.0002374200000000, -0.0003542300000000 ] - [ 0.0002673500000000, -0.0010239400000000, 0.0011731900000000 ] - [ -0.0007951100000000, -0.0007042100000000, 0.0006810700000000 ] - [ 0.0005525200000000, 0.0007100000000000, 0.0012491100000000 ] - [ -0.0005964000000000, -0.0001944500000000, 0.0005026400000000 ] - [ -0.0466970700000000, -0.0288672000000000, -0.0482707700000000 ] - [ -0.0012806700000000, -0.0000594700000000, -0.0005985000000000 ] - [ 0.0005914700000000, -0.0001628200000000, -0.0006031500000000 ] - [ 0.0000000900000000, 0.0002982900000000, -0.0003187400000000 ] - [ -0.0008422300000000, -0.0002290000000000, 0.0061941200000000 ] - [ 0.0004731500000000, 0.0003776900000000, 0.0006572700000000 ] - [ -0.0000117800000000, 0.0007850000000000, 0.0009541500000000 ] - [ 0.0003417200000000, 0.0004394100000000, 0.0004603000000000 ] - [ 0.0012806700000000, -0.0000594700000000, -0.0005985000000000 ] - [ 0.0466970700000000, -0.0288672000000000, -0.0482707700000000 ] - [ -0.0000000900000000, 0.0002982900000000, -0.0003187400000000 ] - [ -0.0005914700000000, -0.0001628200000000, -0.0006031500000000 ] - [ -0.0004731500000000, 0.0003776900000000, 0.0006572700000000 ] - [ 0.0008422300000000, -0.0002290000000000, 0.0061941200000000 ] - [ -0.0003417200000000, 0.0004394100000000, 0.0004603000000000 ] - [ 0.0000117800000000, 0.0007850000000000, 0.0009541500000000 ] - [ -0.0013921500000000, -0.0000725600000000, -0.0003219500000000 ] - [ 0.0048320300000000, 0.0034817800000000, -0.0009334900000000 ] - [ -0.0008375400000000, -0.0002374200000000, -0.0003542300000000 ] - [ 0.0038458600000000, -0.0035507000000000, -0.0006578700000000 ] - [ 0.0007951100000000, -0.0007042100000000, 0.0006810700000000 ] - [ -0.0002673500000000, -0.0010239400000000, 0.0011731900000000 ] - [ 0.0005964000000000, -0.0001944500000000, 0.0005026400000000 ] - [ -0.0005525200000000, 0.0007100000000000, 0.0012491100000000 ] - [ 0.0000000000000000, 0.0129871900000000, 0.3414723600000000 ] - [ 0.0000000000000000, 0.0009852800000000, 0.0019689800000000 ] - [ 0.0000000000000000, -0.0002175600000000, 0.0021073400000000 ] - [ 0.0000000000000000, -0.0002771300000000, 0.0006217100000000 ] - [ 0.0000000000000000, 0.0025052400000000, -0.0150916600000000 ] - [ 0.0000000000000000, -0.0001075900000000, -0.0013720100000000 ] - [ 0.0000000000000000, 0.0000996900000000, -0.0019429900000000 ] - [ 0.0000000000000000, -0.0001622500000000, -0.0009416400000000 ] - [ -0.0017170400000000, 0.0014171200000000, -0.0021273600000000 ] - [ 0.0017170400000000, 0.0014171200000000, -0.0021273600000000 ] - [ -0.0010595700000000, -0.0009369300000000, -0.0011149200000000 ] - [ 0.0010595700000000, -0.0009369300000000, -0.0011149200000000 ] - [ 0.0053042800000000, -0.0001811000000000, -0.0021160700000000 ] - [ -0.0053042800000000, -0.0001811000000000, -0.0021160700000000 ] - [ 0.0025266900000000, 0.0011525900000000, -0.0011063300000000 ] - [ -0.0025266900000000, 0.0011525900000000, -0.0011063300000000 ] - [ -0.0045322200000000, 0.0043021200000000, 0.0072996300000000 ] - [ 0.0045322200000000, 0.0043021200000000, 0.0072996300000000 ] - [ -0.0000871000000000, 0.0002050600000000, 0.0021123100000000 ] - [ 0.0000871000000000, 0.0002050600000000, 0.0021123100000000 ] - [ 0.0011699700000000, 0.0004058800000000, -0.0016781400000000 ] - [ -0.0011699700000000, 0.0004058800000000, -0.0016781400000000 ] - [ 0.0002619400000000, 0.0006062600000000, -0.0002414900000000 ] - [ -0.0002619400000000, 0.0006062600000000, -0.0002414900000000 ] - [ 0.0000000000000000, 0.0103239100000000, -0.0110541200000000 ] - [ 0.0000000000000000, -0.0006101000000000, 0.0005124600000000 ] - [ 0.0000000000000000, -0.0031110300000000, -0.0008594100000000 ] - [ 0.0000000000000000, -0.0009025100000000, 0.0005915200000000 ] - [ 0.0000000000000000, -0.0265213000000000, -0.0117642700000000 ] - [ 0.0000000000000000, -0.0000845000000000, 0.0006371300000000 ] - [ 0.0000000000000000, 0.0044808600000000, -0.0002090400000000 ] - [ 0.0000000000000000, -0.0003486300000000, 0.0006957600000000 ]- atom: 113 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000712600000000, -0.0015052100000000, -0.0066017300000000 ] - [ 0.0012956600000000, -0.0002583000000000, 0.0006563800000000 ] - [ -0.0001128800000000, -0.0002766000000000, -0.0002865200000000 ] - [ 0.0005355900000000, -0.0005057400000000, -0.0000684500000000 ] - [ -0.0002329500000000, -0.0012581100000000, 0.0044808600000000 ] - [ 0.0016088500000000, 0.0000752700000000, -0.0007569600000000 ] - [ -0.0001081400000000, -0.0001063200000000, -0.0000752400000000 ] - [ 0.0005513500000000, -0.0005176300000000, -0.0003015700000000 ] - [ -0.0003668700000000, -0.0034901500000000, -0.0000877000000000 ] - [ 0.0016149700000000, 0.0010965100000000, -0.0000113600000000 ] - [ 0.0000537200000000, 0.0068863400000000, -0.0009173600000000 ] - [ 0.0012653300000000, -0.0005522400000000, -0.0000012200000000 ] - [ -0.0001836200000000, 0.0002851900000000, -0.0002012200000000 ] - [ 0.0006123400000000, 0.0004988600000000, -0.0002316500000000 ] - [ -0.0000781800000000, 0.0005441100000000, -0.0000972500000000 ] - [ 0.0005280500000000, 0.0001943200000000, -0.0002247800000000 ] - [ -0.0005049800000000, 0.0007615700000000, 0.0062408800000000 ] - [ 0.0008642100000000, -0.0004893300000000, -0.0010474600000000 ] - [ -0.0005481300000000, -0.0004770100000000, -0.0001055800000000 ] - [ 0.0001068500000000, -0.0002494700000000, -0.0003217000000000 ] - [ -0.0006856600000000, 0.0005071000000000, -0.0048918500000000 ] - [ 0.0011727900000000, -0.0008243200000000, 0.0003624000000000 ] - [ -0.0005402600000000, -0.0006447700000000, -0.0003156100000000 ] - [ 0.0001243000000000, -0.0002364800000000, -0.0000897400000000 ] - [ -0.0007812800000000, 0.0042346300000000, -0.0003051900000000 ] - [ 0.0011925200000000, -0.0003471300000000, -0.0003816400000000 ] - [ -0.0003719200000000, -0.0061034900000000, 0.0005272000000000 ] - [ 0.0008346900000000, 0.0013070800000000, -0.0003892200000000 ] - [ -0.0006071000000000, 0.0004711400000000, -0.0001893000000000 ] - [ 0.0001819000000000, 0.0002562600000000, -0.0001588900000000 ] - [ -0.0005052600000000, 0.0002098000000000, -0.0002929200000000 ] - [ 0.0001004800000000, 0.0005607900000000, -0.0001658600000000 ] - [ -0.0042462800000000, -0.0048219400000000, 0.0000767400000000 ] - [ -0.0042695800000000, 0.0048707200000000, -0.0012709700000000 ] - [ -0.0005577800000000, 0.0019253800000000, -0.0005707100000000 ] - [ -0.0005560700000000, -0.0018993900000000, -0.0006193900000000 ] - [ 0.0000086100000000, -0.0004097700000000, -0.0008161100000000 ] - [ 0.0000127800000000, 0.0004391800000000, -0.0003709700000000 ] - [ -0.0001116300000000, 0.0002720800000000, -0.0007446900000000 ] - [ -0.0001090800000000, -0.0002409800000000, -0.0004441200000000 ] - [ -0.0041404700000000, -0.0022415500000000, -0.0044981700000000 ] - [ -0.0041680300000000, 0.0008853200000000, 0.0052184300000000 ] - [ -0.0000825300000000, -0.0004424900000000, 0.0001059800000000 ] - [ -0.0000803500000000, -0.0009214400000000, 0.0005891100000000 ] - [ -0.0006793100000000, -0.0009755900000000, 0.0027326400000000 ] - [ -0.0006763400000000, -0.0003883800000000, -0.0020447600000000 ] - [ -0.0000331900000000, -0.0004607600000000, 0.0006109700000000 ] - [ -0.0000275300000000, -0.0009034100000000, 0.0000858600000000 ] - [ 0.0036441500000000, -0.0000243100000000, -0.0004521100000000 ] - [ -0.0019457500000000, -0.0000138000000000, -0.0005946200000000 ] - [ 0.0013181400000000, -0.0000181700000000, -0.0005954100000000 ] - [ -0.0007536300000000, -0.0000144700000000, -0.0005942700000000 ] - [ 0.0043793600000000, -0.0000152400000000, -0.0005737100000000 ] - [ -0.0013401500000000, -0.0000135500000000, -0.0005953200000000 ] - [ 0.0008264600000000, -0.0000148000000000, -0.0005925000000000 ] - [ -0.0006370100000000, -0.0000119300000000, -0.0005952600000000 ] - [ 0.0035945600000000, 0.0007867300000000, 0.0002931300000000 ] - [ -0.0019112700000000, 0.0006789100000000, 0.0003455300000000 ] - [ 0.0033225800000000, 0.0006862300000000, 0.0003513200000000 ] - [ -0.0011912200000000, 0.0006821300000000, 0.0003497600000000 ] - [ 0.0007912800000000, 0.0006738100000000, 0.0003416300000000 ] - [ -0.0008232800000000, 0.0006816400000000, 0.0003502100000000 ] - [ 0.0013185200000000, 0.0006834800000000, 0.0003528600000000 ] - [ -0.0007075900000000, 0.0006814500000000, 0.0003492900000000 ] - [ 0.0018941200000000, -0.0013271300000000, -0.0013493500000000 ] - [ -0.0021261900000000, -0.0000013600000000, 0.0005697600000000 ] - [ 0.0018141000000000, 0.0023020300000000, -0.0022276500000000 ] - [ -0.0016359500000000, -0.0010388300000000, 0.0005344000000000 ] - [ 0.0016878800000000, -0.0004357700000000, 0.0000086200000000 ] - [ -0.0018114200000000, -0.0002082100000000, -0.0001526900000000 ] - [ 0.0016124400000000, 0.0011929100000000, 0.0012038700000000 ] - [ -0.0014378900000000, -0.0008179000000000, -0.0000915000000000 ] - [ 0.0428851900000000, -0.0217614300000000, -0.0160507200000000 ] - [ -0.0069367200000000, -0.0001919100000000, -0.0003365500000000 ] - [ 0.0011003200000000, 0.0001416100000000, 0.0002241800000000 ] - [ -0.0007312200000000, 0.0004812800000000, -0.0000101700000000 ] - [ 0.0012452900000000, 0.0003962700000000, -0.0000455400000000 ] - [ -0.0008822800000000, 0.0000705500000000, 0.0001003700000000 ] - [ 0.0005898700000000, 0.0002527500000000, 0.0000078200000000 ] - [ -0.0002696000000000, 0.0003989300000000, 0.0000706800000000 ] - [ 0.0449303300000000, 0.0237377100000000, 0.0171259900000000 ] - [ -0.0073037900000000, 0.0008896600000000, 0.0004835900000000 ] - [ 0.0007579500000000, 0.0005598200000000, -0.0000732500000000 ] - [ -0.0010861900000000, 0.0002290400000000, 0.0001624400000000 ] - [ 0.0009068400000000, 0.0003105200000000, 0.0001981300000000 ] - [ -0.0012380500000000, 0.0006350800000000, 0.0000522000000000 ] - [ 0.0002414000000000, 0.0004479100000000, 0.0001423100000000 ] - [ -0.0006235000000000, 0.0003035000000000, 0.0000784800000000 ] - [ 0.0022707700000000, 0.0006083600000000, 0.0014991500000000 ] - [ -0.0017727400000000, -0.0006994400000000, -0.0004127200000000 ] - [ 0.0021812700000000, -0.0030050200000000, 0.0023817300000000 ] - [ -0.0012825500000000, 0.0003318400000000, -0.0003833900000000 ] - [ 0.0020566800000000, -0.0002715300000000, 0.0001484000000000 ] - [ -0.0014581800000000, -0.0004999300000000, 0.0003004400000000 ] - [ 0.0019678400000000, -0.0018993600000000, -0.0010551000000000 ] - [ -0.0010854200000000, 0.0001095200000000, 0.0002448400000000 ] - [ 0.0260227500000000, 0.0047154300000000, 0.0042776300000000 ] - [ 0.0263106000000000, -0.0049058000000000, -0.0047267800000000 ] - [ -0.0000517000000000, -0.0011065800000000, -0.0001529500000000 ] - [ -0.0000617900000000, 0.0008559400000000, -0.0003281700000000 ] - [ -0.0000863500000000, -0.0005222100000000, -0.0014031900000000 ] - [ -0.0000986200000000, 0.0002727700000000, 0.0009253500000000 ] - [ 0.0000631700000000, -0.0005087400000000, -0.0004995100000000 ] - [ 0.0000584500000000, 0.0002587300000000, 0.0000185200000000 ] - [ -0.0050422400000000, 0.0001509700000000, -0.0002829500000000 ] - [ 0.0025745900000000, 0.0001243800000000, -0.0002376100000000 ] - [ -0.0041136100000000, 0.0001247500000000, -0.0002439000000000 ] - [ 0.0020786200000000, 0.0001242500000000, -0.0002395100000000 ] - [ -0.0053973400000000, 0.0001590200000000, -0.0002151800000000 ] - [ 0.0028251500000000, 0.0001238000000000, -0.0002428600000000 ] - [ -0.0052373700000000, 0.0001209000000000, -0.0002362200000000 ] - [ 0.0021906300000000, 0.0001250200000000, -0.0002414000000000 ] - [ -0.1252003500000000, -0.0009249100000000, -0.0003485600000000 ] - [ 0.0048130300000000, 0.0005672200000000, 0.0007270300000000 ] - [ -0.0013357000000000, 0.0005664200000000, 0.0007279700000000 ] - [ 0.0013076500000000, 0.0005648400000000, 0.0007262800000000 ] - [ -0.0013631900000000, 0.0005592900000000, 0.0007231800000000 ] - [ 0.0014922800000000, 0.0005655500000000, 0.0007260600000000 ] - [ -0.0008265600000000, 0.0005660800000000, 0.0007253500000000 ] - [ 0.0007430800000000, 0.0005646000000000, 0.0007258600000000 ] - [ 0.0005315500000000, 0.0013744900000000, -0.0022170600000000 ] - [ 0.0005240800000000, -0.0025135700000000, 0.0036897300000000 ] - [ 0.0006636700000000, -0.0017448000000000, -0.0005277300000000 ] - [ 0.0006613100000000, 0.0006140900000000, 0.0019801100000000 ] - [ 0.0005331100000000, 0.0019016100000000, 0.0024539300000000 ] - [ 0.0005223600000000, -0.0030494700000000, -0.0010131700000000 ] - [ 0.0006639300000000, -0.0012528300000000, 0.0013768400000000 ] - [ 0.0006607200000000, 0.0001255600000000, 0.0000739700000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000232500000000, -0.0019498700000000, 0.0029758100000000 ] - [ 0.0002992600000000, -0.0005635100000000, 0.0002848600000000 ] - [ 0.0005771100000000, 0.0011940600000000, -0.0004005500000000 ] - [ 0.0001141700000000, -0.0001840000000000, -0.0001663500000000 ] - [ 0.0000822100000000, -0.0020781700000000, -0.0026750900000000 ] - [ 0.0003102200000000, -0.0004269700000000, -0.0004381500000000 ] - [ 0.0002619600000000, 0.0007869600000000, -0.0000569100000000 ] - [ 0.0001483500000000, -0.0002177300000000, -0.0002338900000000 ] - [ -0.0053085700000000, 0.0052061500000000, 0.0008632900000000 ] - [ 0.0004238600000000, 0.0004957200000000, -0.0001853500000000 ] - [ 0.0043552200000000, 0.0056574600000000, -0.0002567100000000 ] - [ -0.0000037200000000, 0.0006989700000000, -0.0002547400000000 ] - [ -0.0001827300000000, 0.0006243500000000, -0.0007799800000000 ] - [ 0.0003967300000000, 0.0004709800000000, -0.0002494800000000 ] - [ 0.0003550600000000, 0.0000088100000000, -0.0000945500000000 ] - [ 0.0002125700000000, 0.0002758300000000, -0.0001594700000000 ] - [ 0.0000232500000000, -0.0019498700000000, 0.0029758100000000 ] - [ -0.0002992600000000, -0.0005635100000000, 0.0002848600000000 ] - [ -0.0005771100000000, 0.0011940600000000, -0.0004005500000000 ] - [ -0.0001141700000000, -0.0001840000000000, -0.0001663500000000 ] - [ -0.0000822100000000, -0.0020781700000000, -0.0026750900000000 ] - [ -0.0003102200000000, -0.0004269700000000, -0.0004381500000000 ] - [ -0.0002619600000000, 0.0007869600000000, -0.0000569100000000 ] - [ -0.0001483500000000, -0.0002177300000000, -0.0002338900000000 ] - [ 0.0053085700000000, 0.0052061500000000, 0.0008632900000000 ] - [ -0.0004238600000000, 0.0004957200000000, -0.0001853500000000 ] - [ -0.0043552200000000, 0.0056574600000000, -0.0002567100000000 ] - [ 0.0000037200000000, 0.0006989700000000, -0.0002547400000000 ] - [ 0.0001827300000000, 0.0006243500000000, -0.0007799800000000 ] - [ -0.0003967300000000, 0.0004709800000000, -0.0002494800000000 ] - [ -0.0003550600000000, 0.0000088100000000, -0.0000945500000000 ] - [ -0.0002125700000000, 0.0002758300000000, -0.0001594700000000 ] - [ -0.0019028500000000, 0.0035593600000000, -0.0007536700000000 ] - [ 0.0019028500000000, 0.0035593600000000, -0.0007536700000000 ] - [ 0.0004786500000000, -0.0015760200000000, -0.0006763800000000 ] - [ -0.0004786500000000, -0.0015760200000000, -0.0006763800000000 ] - [ -0.0006424400000000, 0.0006361500000000, -0.0005629100000000 ] - [ 0.0006424400000000, 0.0006361500000000, -0.0005629100000000 ] - [ 0.0001547300000000, -0.0005268000000000, -0.0002443600000000 ] - [ -0.0001547300000000, -0.0005268000000000, -0.0002443600000000 ] - [ 0.0008156300000000, 0.0014142800000000, 0.0025409700000000 ] - [ -0.0008156300000000, 0.0014142800000000, 0.0025409700000000 ] - [ -0.0002135300000000, -0.0017282100000000, 0.0001220000000000 ] - [ 0.0002135300000000, -0.0017282100000000, 0.0001220000000000 ] - [ -0.0002100200000000, 0.0003644600000000, -0.0004323800000000 ] - [ 0.0002100200000000, 0.0003644600000000, -0.0004323800000000 ] - [ -0.0002464600000000, -0.0015298900000000, 0.0003054300000000 ] - [ 0.0002464600000000, -0.0015298900000000, 0.0003054300000000 ] - [ 0.0000000000000000, 0.0044783400000000, 0.0031067400000000 ] - [ 0.0000000000000000, 0.0004963000000000, -0.0001271400000000 ] - [ 0.0000000000000000, -0.0021319800000000, -0.0004704700000000 ] - [ 0.0000000000000000, -0.0003151700000000, -0.0005735200000000 ] - [ 0.0000000000000000, 0.0062394500000000, 0.0030277100000000 ] - [ 0.0000000000000000, 0.0004070400000000, -0.0009589600000000 ] - [ 0.0000000000000000, -0.0023822400000000, -0.0017305600000000 ] - [ 0.0000000000000000, -0.0003333400000000, -0.0007049800000000 ] - [ 0.0000000000000000, 0.0393104500000000, -0.0074799700000000 ] - [ 0.0000000000000000, 0.0011679900000000, 0.0000760600000000 ] - [ 0.0000000000000000, -0.0055123100000000, -0.0020731300000000 ] - [ 0.0000000000000000, 0.0002540600000000, 0.0002423000000000 ] - [ 0.0000000000000000, 0.0009580200000000, 0.0001345200000000 ] - [ 0.0000000000000000, 0.0008423800000000, 0.0004456300000000 ] - [ 0.0000000000000000, 0.0002272700000000, 0.0014058600000000 ] - [ 0.0000000000000000, 0.0005709000000000, 0.0005044900000000 ] - [ -0.0021118500000000, -0.0017932200000000, -0.0027298900000000 ] - [ 0.0001346100000000, -0.0001990000000000, 0.0000709800000000 ] - [ 0.0010748000000000, -0.0025401700000000, 0.0027988200000000 ] - [ -0.0003846800000000, -0.0005573500000000, 0.0003160600000000 ] - [ -0.0037272700000000, -0.0014787000000000, 0.0044901700000000 ] - [ 0.0003061900000000, -0.0003051600000000, -0.0000059800000000 ] - [ 0.0002738800000000, -0.0006331500000000, -0.0014258200000000 ] - [ -0.0002860600000000, -0.0004308900000000, -0.0000959300000000 ] - [ -0.0156325200000000, 0.0133913900000000, 0.0070224700000000 ] - [ -0.0025711100000000, 0.0010340500000000, 0.0003131200000000 ] - [ -0.0009410100000000, -0.0023546200000000, -0.0003621300000000 ] - [ 0.0004610200000000, -0.0000526700000000, -0.0000286800000000 ] - [ -0.0008304700000000, 0.0012137100000000, 0.0002588000000000 ] - [ 0.0004968600000000, 0.0005969800000000, 0.0002114000000000 ] - [ -0.0000151000000000, -0.0006432200000000, 0.0000379200000000 ] - [ 0.0003244100000000, 0.0000964200000000, 0.0000784800000000 ] - [ 0.0156325200000000, 0.0133913900000000, 0.0070224700000000 ] - [ 0.0025711100000000, 0.0010340500000000, 0.0003131200000000 ] - [ 0.0009410100000000, -0.0023546200000000, -0.0003621300000000 ] - [ -0.0004610200000000, -0.0000526700000000, -0.0000286800000000 ] - [ 0.0008304700000000, 0.0012137100000000, 0.0002588000000000 ] - [ -0.0004968600000000, 0.0005969800000000, 0.0002114000000000 ] - [ 0.0000151000000000, -0.0006432200000000, 0.0000379200000000 ] - [ -0.0003244100000000, 0.0000964200000000, 0.0000784800000000 ] - [ 0.0021118500000000, -0.0017932200000000, -0.0027298900000000 ] - [ -0.0001346100000000, -0.0001990000000000, 0.0000709800000000 ] - [ -0.0010748000000000, -0.0025401700000000, 0.0027988200000000 ] - [ 0.0003846800000000, -0.0005573500000000, 0.0003160600000000 ] - [ 0.0037272700000000, -0.0014787000000000, 0.0044901700000000 ] - [ -0.0003061900000000, -0.0003051600000000, -0.0000059800000000 ] - [ -0.0002738800000000, -0.0006331500000000, -0.0014258200000000 ] - [ 0.0002860600000000, -0.0004308900000000, -0.0000959300000000 ] - [ -0.0055125300000000, -0.0087291600000000, -0.0039742200000000 ] - [ 0.0055125300000000, -0.0087291600000000, -0.0039742200000000 ] - [ 0.0009974200000000, 0.0017180200000000, 0.0001205200000000 ] - [ -0.0009974200000000, 0.0017180200000000, 0.0001205200000000 ] - [ 0.0008829600000000, -0.0008189900000000, -0.0000784700000000 ] - [ -0.0008829600000000, -0.0008189900000000, -0.0000784700000000 ] - [ 0.0004383200000000, 0.0008891600000000, -0.0002796500000000 ] - [ -0.0004383200000000, 0.0008891600000000, -0.0002796500000000 ] - [ 0.0000000000000000, 0.0017561500000000, -0.0260327800000000 ] - [ 0.0000000000000000, -0.0005439200000000, 0.0002416000000000 ] - [ 0.0000000000000000, 0.0024531900000000, 0.0048319200000000 ] - [ 0.0000000000000000, 0.0005712900000000, -0.0000194100000000 ] - [ 0.0000000000000000, 0.0034789700000000, 0.0106831500000000 ] - [ 0.0000000000000000, -0.0006114000000000, -0.0002828600000000 ] - [ 0.0000000000000000, 0.0029733800000000, -0.0028035800000000 ] - [ 0.0000000000000000, 0.0005688100000000, -0.0005707000000000 ] - [ 0.0000000000000000, -0.0752822400000000, -0.0016992300000000 ] - [ 0.0000000000000000, -0.0005170300000000, 0.0003800800000000 ] - [ 0.0000000000000000, 0.0054060400000000, 0.0006882400000000 ] - [ 0.0000000000000000, 0.0009388300000000, 0.0007421300000000 ] - [ 0.0000000000000000, -0.0007822000000000, -0.0000006900000000 ] - [ 0.0000000000000000, 0.0004414000000000, 0.0007732700000000 ] - [ 0.0000000000000000, 0.0019213400000000, 0.0007602800000000 ] - [ 0.0000000000000000, 0.0008384700000000, 0.0007413900000000 ] - [ 0.0024731700000000, -0.0017585200000000, 0.0008184500000000 ] - [ -0.0024731700000000, -0.0017585200000000, 0.0008184500000000 ] - [ -0.0006920900000000, 0.0002755900000000, 0.0012255000000000 ] - [ 0.0006920900000000, 0.0002755900000000, 0.0012255000000000 ] - [ 0.0019426700000000, -0.0017545900000000, 0.0009474200000000 ] - [ -0.0019426700000000, -0.0017545900000000, 0.0009474200000000 ] - [ -0.0011851600000000, 0.0002775400000000, 0.0001704900000000 ] - [ 0.0011851600000000, 0.0002775400000000, 0.0001704900000000 ]- atom: 113 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004597200000000, 0.0011796700000000, -0.0033826000000000 ] - [ 0.0001282900000000, -0.0001916700000000, -0.0006768400000000 ] - [ -0.0001488300000000, -0.0019439600000000, 0.0000104200000000 ] - [ 0.0003149200000000, -0.0005664500000000, -0.0002246400000000 ] - [ 0.0003625700000000, 0.0012955700000000, 0.0022970500000000 ] - [ 0.0001171300000000, -0.0003301100000000, 0.0000481400000000 ] - [ 0.0001654800000000, -0.0015371200000000, -0.0003357700000000 ] - [ 0.0002820700000000, -0.0005326900000000, -0.0001569600000000 ] - [ 0.0057803200000000, -0.0045027500000000, -0.0012518800000000 ] - [ 0.0000029700000000, 0.0002606700000000, -0.0002051600000000 ] - [ -0.0038562300000000, -0.0048579700000000, -0.0001315800000000 ] - [ 0.0004325600000000, 0.0000541900000000, -0.0001341800000000 ] - [ 0.0006100000000000, 0.0001344800000000, 0.0003909000000000 ] - [ 0.0000330000000000, 0.0002861500000000, -0.0001409000000000 ] - [ 0.0000748000000000, 0.0007398800000000, -0.0002967500000000 ] - [ 0.0002162700000000, 0.0004767200000000, -0.0002312200000000 ] - [ -0.0004597200000000, 0.0011796700000000, -0.0033826000000000 ] - [ -0.0001282900000000, -0.0001916700000000, -0.0006768400000000 ] - [ 0.0001488300000000, -0.0019439600000000, 0.0000104200000000 ] - [ -0.0003149200000000, -0.0005664500000000, -0.0002246400000000 ] - [ -0.0003625700000000, 0.0012955700000000, 0.0022970500000000 ] - [ -0.0001171300000000, -0.0003301100000000, 0.0000481400000000 ] - [ -0.0001654800000000, -0.0015371200000000, -0.0003357700000000 ] - [ -0.0002820700000000, -0.0005326900000000, -0.0001569600000000 ] - [ -0.0057803200000000, -0.0045027500000000, -0.0012518800000000 ] - [ -0.0000029700000000, 0.0002606700000000, -0.0002051600000000 ] - [ 0.0038562300000000, -0.0048579700000000, -0.0001315800000000 ] - [ -0.0004325600000000, 0.0000541900000000, -0.0001341800000000 ] - [ -0.0006100000000000, 0.0001344800000000, 0.0003909000000000 ] - [ -0.0000330000000000, 0.0002861500000000, -0.0001409000000000 ] - [ -0.0000748000000000, 0.0007398800000000, -0.0002967500000000 ] - [ -0.0002162700000000, 0.0004767200000000, -0.0002312200000000 ] - [ 0.0019122200000000, -0.0035532600000000, -0.0004331300000000 ] - [ -0.0019122200000000, -0.0035532600000000, -0.0004331300000000 ] - [ -0.0004707200000000, 0.0016047300000000, -0.0005166000000000 ] - [ 0.0004707200000000, 0.0016047300000000, -0.0005166000000000 ] - [ 0.0006418600000000, -0.0006163100000000, -0.0006281100000000 ] - [ -0.0006418600000000, -0.0006163100000000, -0.0006281100000000 ] - [ -0.0001508500000000, 0.0005482700000000, -0.0009450700000000 ] - [ 0.0001508500000000, 0.0005482700000000, -0.0009450700000000 ] - [ -0.0008327800000000, -0.0027795300000000, -0.0018547900000000 ] - [ 0.0008327800000000, -0.0027795300000000, -0.0018547900000000 ] - [ 0.0002183800000000, 0.0003648000000000, 0.0005736500000000 ] - [ -0.0002183800000000, 0.0003648000000000, 0.0005736500000000 ] - [ 0.0002097800000000, -0.0017264700000000, 0.0011278200000000 ] - [ -0.0002097800000000, -0.0017264700000000, 0.0011278200000000 ] - [ 0.0002474500000000, 0.0001689800000000, 0.0003868200000000 ] - [ -0.0002474500000000, 0.0001689800000000, 0.0003868200000000 ] - [ 0.0000000000000000, -0.0043962300000000, -0.0041765000000000 ] - [ 0.0000000000000000, -0.0005272300000000, -0.0010669000000000 ] - [ 0.0000000000000000, 0.0021024000000000, -0.0007157200000000 ] - [ 0.0000000000000000, 0.0002899000000000, -0.0006163200000000 ] - [ 0.0000000000000000, -0.0062933000000000, -0.0042091500000000 ] - [ 0.0000000000000000, -0.0004311500000000, -0.0002309200000000 ] - [ 0.0000000000000000, 0.0023495200000000, 0.0005242500000000 ] - [ 0.0000000000000000, 0.0003102700000000, -0.0004872600000000 ] - [ 0.0000000000000000, -0.0402924800000000, 0.0092295800000000 ] - [ 0.0000000000000000, 0.0001875500000000, 0.0006177200000000 ] - [ 0.0000000000000000, 0.0068272600000000, 0.0027297000000000 ] - [ 0.0000000000000000, 0.0011097600000000, 0.0004512300000000 ] - [ 0.0000000000000000, 0.0003746400000000, 0.0005480000000000 ] - [ 0.0000000000000000, 0.0005148500000000, 0.0002531000000000 ] - [ 0.0000000000000000, 0.0011340700000000, -0.0007049000000000 ] - [ 0.0000000000000000, 0.0007901500000000, 0.0001881300000000 ] - [ 0.0017588600000000, 0.0010646000000000, 0.0029141400000000 ] - [ -0.0004839800000000, -0.0005102900000000, 0.0000805600000000 ] - [ -0.0014121800000000, 0.0018296000000000, -0.0026223900000000 ] - [ 0.0000293600000000, -0.0001492600000000, -0.0001619500000000 ] - [ 0.0033719700000000, 0.0007647100000000, -0.0043479600000000 ] - [ -0.0006616600000000, -0.0004111900000000, 0.0001589000000000 ] - [ -0.0006173400000000, -0.0000683400000000, 0.0015705000000000 ] - [ -0.0000678800000000, -0.0002746300000000, 0.0002505500000000 ] - [ 0.0157009900000000, -0.0127451800000000, -0.0068154400000000 ] - [ 0.0029399100000000, -0.0003262600000000, -0.0001585600000000 ] - [ 0.0013018200000000, 0.0030631800000000, 0.0005146900000000 ] - [ -0.0001128600000000, 0.0007560100000000, 0.0001816000000000 ] - [ 0.0011744200000000, -0.0004930300000000, -0.0001106300000000 ] - [ -0.0001414400000000, 0.0001156200000000, -0.0000580700000000 ] - [ 0.0003706500000000, 0.0013482900000000, 0.0001152500000000 ] - [ 0.0000265200000000, 0.0006097700000000, 0.0000734700000000 ] - [ -0.0157009900000000, -0.0127451800000000, -0.0068154400000000 ] - [ -0.0029399100000000, -0.0003262600000000, -0.0001585600000000 ] - [ -0.0013018200000000, 0.0030631800000000, 0.0005146900000000 ] - [ 0.0001128600000000, 0.0007560100000000, 0.0001816000000000 ] - [ -0.0011744200000000, -0.0004930300000000, -0.0001106300000000 ] - [ 0.0001414400000000, 0.0001156200000000, -0.0000580700000000 ] - [ -0.0003706500000000, 0.0013482900000000, 0.0001152500000000 ] - [ -0.0000265200000000, 0.0006097700000000, 0.0000734700000000 ] - [ -0.0017588600000000, 0.0010646000000000, 0.0029141400000000 ] - [ 0.0004839800000000, -0.0005102900000000, 0.0000805600000000 ] - [ 0.0014121800000000, 0.0018296000000000, -0.0026223900000000 ] - [ -0.0000293600000000, -0.0001492600000000, -0.0001619500000000 ] - [ -0.0033719700000000, 0.0007647100000000, -0.0043479600000000 ] - [ 0.0006616600000000, -0.0004111900000000, 0.0001589000000000 ] - [ 0.0006173400000000, -0.0000683400000000, 0.0015705000000000 ] - [ 0.0000678800000000, -0.0002746300000000, 0.0002505500000000 ] - [ 0.0055832300000000, 0.0085086700000000, 0.0034881000000000 ] - [ -0.0055832300000000, 0.0085086700000000, 0.0034881000000000 ] - [ -0.0010110500000000, -0.0019676500000000, -0.0006012900000000 ] - [ 0.0010110500000000, -0.0019676500000000, -0.0006012900000000 ] - [ -0.0008771200000000, 0.0005700800000000, -0.0003973000000000 ] - [ 0.0008771200000000, 0.0005700800000000, -0.0003973000000000 ] - [ -0.0004423700000000, -0.0011372400000000, -0.0001965700000000 ] - [ 0.0004423700000000, -0.0011372400000000, -0.0001965700000000 ] - [ 0.0000000000000000, -0.0015481800000000, 0.0256984300000000 ] - [ 0.0000000000000000, 0.0008007200000000, -0.0007225900000000 ] - [ 0.0000000000000000, -0.0022081500000000, -0.0052499300000000 ] - [ 0.0000000000000000, -0.0003234000000000, -0.0004539400000000 ] - [ 0.0000000000000000, -0.0031280100000000, -0.0112389100000000 ] - [ 0.0000000000000000, 0.0008647100000000, -0.0001979400000000 ] - [ 0.0000000000000000, -0.0027140900000000, 0.0023004500000000 ] - [ 0.0000000000000000, -0.0003195700000000, 0.0000956000000000 ] - [ 0.0000000000000000, 0.0788920800000000, 0.0017253300000000 ] - [ 0.0000000000000000, 0.0016514600000000, 0.0010724900000000 ] - [ 0.0000000000000000, -0.0042508600000000, 0.0007587800000000 ] - [ 0.0000000000000000, 0.0001916000000000, 0.0007097600000000 ] - [ 0.0000000000000000, 0.0019053500000000, 0.0014646900000000 ] - [ 0.0000000000000000, 0.0006898200000000, 0.0006790900000000 ] - [ 0.0000000000000000, -0.0007853600000000, 0.0006948700000000 ] - [ 0.0000000000000000, 0.0002926400000000, 0.0007096500000000 ] - [ -0.0024777800000000, 0.0006330000000000, 0.0006356800000000 ] - [ 0.0024777800000000, 0.0006330000000000, 0.0006356800000000 ] - [ 0.0006861600000000, -0.0014126300000000, 0.0002259300000000 ] - [ -0.0006861600000000, -0.0014126300000000, 0.0002259300000000 ] - [ -0.0019449000000000, 0.0006364600000000, 0.0005036700000000 ] - [ 0.0019449000000000, 0.0006364600000000, 0.0005036700000000 ] - [ 0.0011737000000000, -0.0014105100000000, 0.0012785700000000 ] - [ -0.0011737000000000, -0.0014105100000000, 0.0012785700000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0044452300000000, 0.0021164000000000, 0.0040051300000000 ] - [ 0.0003948900000000, -0.0003041100000000, -0.0000199300000000 ] - [ -0.0000754000000000, -0.0009707800000000, -0.0001631600000000 ] - [ 0.0002580200000000, -0.0004671800000000, -0.0001831000000000 ] - [ 0.0061388700000000, -0.0036682100000000, 0.0041670800000000 ] - [ -0.0000699600000000, -0.0004455000000000, -0.0001174900000000 ] - [ 0.0005228500000000, 0.0005345800000000, 0.0000674300000000 ] - [ 0.0000774600000000, -0.0003093300000000, -0.0001739500000000 ] - [ 0.0010362300000000, 0.0000023700000000, -0.0032268300000000 ] - [ 0.0000807500000000, 0.0001979600000000, -0.0005228100000000 ] - [ -0.0001266100000000, 0.0008671200000000, -0.0023842800000000 ] - [ 0.0001049100000000, 0.0005955800000000, -0.0004782700000000 ] - [ -0.0003968700000000, 0.0005812500000000, 0.0012869900000000 ] - [ 0.0003103300000000, 0.0004206600000000, 0.0000683500000000 ] - [ 0.0001833400000000, 0.0003022500000000, 0.0006502200000000 ] - [ 0.0002822000000000, 0.0004033900000000, 0.0000046000000000 ] - [ 0.0044452300000000, 0.0021164000000000, 0.0040051300000000 ] - [ -0.0003948900000000, -0.0003041100000000, -0.0000199300000000 ] - [ 0.0000754000000000, -0.0009707800000000, -0.0001631600000000 ] - [ -0.0002580200000000, -0.0004671800000000, -0.0001831000000000 ] - [ -0.0061388700000000, -0.0036682100000000, 0.0041670800000000 ] - [ 0.0000699600000000, -0.0004455000000000, -0.0001174900000000 ] - [ -0.0005228500000000, 0.0005345800000000, 0.0000674300000000 ] - [ -0.0000774600000000, -0.0003093300000000, -0.0001739500000000 ] - [ -0.0010362300000000, 0.0000023700000000, -0.0032268300000000 ] - [ -0.0000807500000000, 0.0001979600000000, -0.0005228100000000 ] - [ 0.0001266100000000, 0.0008671200000000, -0.0023842800000000 ] - [ -0.0001049100000000, 0.0005955800000000, -0.0004782700000000 ] - [ 0.0003968700000000, 0.0005812500000000, 0.0012869900000000 ] - [ -0.0003103300000000, 0.0004206600000000, 0.0000683500000000 ] - [ -0.0001833400000000, 0.0003022500000000, 0.0006502200000000 ] - [ -0.0002822000000000, 0.0004033900000000, 0.0000046000000000 ] - [ 0.0013475600000000, 0.0009436500000000, 0.0010584400000000 ] - [ -0.0013475600000000, 0.0009436500000000, 0.0010584400000000 ] - [ 0.0001884000000000, -0.0004323700000000, 0.0001002200000000 ] - [ -0.0001884000000000, -0.0004323700000000, 0.0001002200000000 ] - [ -0.0005117400000000, 0.0002469400000000, -0.0018680200000000 ] - [ 0.0005117400000000, 0.0002469400000000, -0.0018680200000000 ] - [ -0.0002265900000000, 0.0001647300000000, -0.0013033600000000 ] - [ 0.0002265900000000, 0.0001647300000000, -0.0013033600000000 ] - [ -0.0023530900000000, 0.0000617000000000, 0.0031659200000000 ] - [ 0.0023530900000000, 0.0000617000000000, 0.0031659200000000 ] - [ -0.0004319500000000, -0.0008171700000000, 0.0011136000000000 ] - [ 0.0004319500000000, -0.0008171700000000, 0.0011136000000000 ] - [ 0.0008956200000000, -0.0007673100000000, -0.0013146700000000 ] - [ -0.0008956200000000, -0.0007673100000000, -0.0013146700000000 ] - [ 0.0001572500000000, -0.0005885500000000, -0.0002338300000000 ] - [ -0.0001572500000000, -0.0005885500000000, -0.0002338300000000 ] - [ 0.0000000000000000, -0.0015456200000000, 0.0393465000000000 ] - [ 0.0000000000000000, 0.0001643100000000, -0.0002689100000000 ] - [ 0.0000000000000000, 0.0004176500000000, -0.0000713200000000 ] - [ 0.0000000000000000, 0.0000392400000000, -0.0004722900000000 ] - [ 0.0000000000000000, 0.0022858300000000, -0.0096835100000000 ] - [ 0.0000000000000000, -0.0000195200000000, -0.0009420800000000 ] - [ 0.0000000000000000, -0.0002695100000000, -0.0012328000000000 ] - [ 0.0000000000000000, -0.0000962200000000, -0.0007457300000000 ] - [ 0.0000000000000000, -0.0122033400000000, 0.0082555200000000 ] - [ 0.0000000000000000, 0.0008799400000000, 0.0004353700000000 ] - [ 0.0000000000000000, -0.0012158600000000, 0.0015445300000000 ] - [ 0.0000000000000000, 0.0004810900000000, 0.0004464100000000 ] - [ 0.0000000000000000, -0.0023726600000000, -0.0070885100000000 ] - [ 0.0000000000000000, 0.0007423300000000, 0.0001367600000000 ] - [ 0.0000000000000000, 0.0012027200000000, -0.0010116800000000 ] - [ 0.0000000000000000, 0.0007047900000000, 0.0001984500000000 ] - [ -0.0036378100000000, -0.0054475600000000, 0.0005335900000000 ] - [ 0.0002294100000000, -0.0003060600000000, 0.0002485500000000 ] - [ -0.0018708400000000, 0.0025763400000000, -0.0002369400000000 ] - [ 0.0001015500000000, -0.0003107300000000, 0.0002089800000000 ] - [ 0.0016251400000000, 0.0016365300000000, -0.0016521700000000 ] - [ -0.0003853100000000, -0.0002768400000000, -0.0001178900000000 ] - [ 0.0003996100000000, -0.0016344600000000, -0.0008250700000000 ] - [ -0.0002982000000000, -0.0004862900000000, -0.0000638700000000 ] - [ -0.0132130200000000, 0.0077912700000000, 0.0082073500000000 ] - [ -0.0015525200000000, 0.0005306500000000, 0.0005956300000000 ] - [ 0.0007382800000000, 0.0007429000000000, 0.0009943700000000 ] - [ 0.0000611000000000, 0.0004205700000000, 0.0003577500000000 ] - [ -0.0010305500000000, 0.0005978400000000, -0.0029005600000000 ] - [ 0.0004830300000000, 0.0003110400000000, -0.0003779100000000 ] - [ -0.0002108700000000, 0.0000248100000000, -0.0007993000000000 ] - [ 0.0003518600000000, 0.0003371600000000, -0.0001643500000000 ] - [ 0.0132130200000000, 0.0077912700000000, 0.0082073500000000 ] - [ 0.0015525200000000, 0.0005306500000000, 0.0005956300000000 ] - [ -0.0007382800000000, 0.0007429000000000, 0.0009943700000000 ] - [ -0.0000611000000000, 0.0004205700000000, 0.0003577500000000 ] - [ 0.0010305500000000, 0.0005978400000000, -0.0029005600000000 ] - [ -0.0004830300000000, 0.0003110400000000, -0.0003779100000000 ] - [ 0.0002108700000000, 0.0000248100000000, -0.0007993000000000 ] - [ -0.0003518600000000, 0.0003371600000000, -0.0001643500000000 ] - [ 0.0036378100000000, -0.0054475600000000, 0.0005335900000000 ] - [ -0.0002294100000000, -0.0003060600000000, 0.0002485500000000 ] - [ 0.0018708400000000, 0.0025763400000000, -0.0002369400000000 ] - [ -0.0001015500000000, -0.0003107300000000, 0.0002089800000000 ] - [ -0.0016251400000000, 0.0016365300000000, -0.0016521700000000 ] - [ 0.0003853100000000, -0.0002768400000000, -0.0001178900000000 ] - [ -0.0003996100000000, -0.0016344600000000, -0.0008250700000000 ] - [ 0.0002982000000000, -0.0004862900000000, -0.0000638700000000 ] - [ -0.0029626100000000, -0.0025784400000000, -0.0067791400000000 ] - [ 0.0029626100000000, -0.0025784400000000, -0.0067791400000000 ] - [ -0.0001710800000000, 0.0000457000000000, -0.0016184300000000 ] - [ 0.0001710800000000, 0.0000457000000000, -0.0016184300000000 ] - [ 0.0008693400000000, -0.0000636800000000, 0.0021596600000000 ] - [ -0.0008693400000000, -0.0000636800000000, 0.0021596600000000 ] - [ 0.0003399800000000, -0.0002494600000000, 0.0007252400000000 ] - [ -0.0003399800000000, -0.0002494600000000, 0.0007252400000000 ] - [ 0.0000000000000000, -0.0158850600000000, 0.0121917800000000 ] - [ 0.0000000000000000, 0.0001333100000000, -0.0001543000000000 ] - [ 0.0000000000000000, 0.0024933400000000, 0.0006845600000000 ] - [ 0.0000000000000000, 0.0003646600000000, -0.0002071100000000 ] - [ 0.0000000000000000, 0.0249826000000000, 0.0114853500000000 ] - [ 0.0000000000000000, -0.0002020100000000, -0.0000304900000000 ] - [ 0.0000000000000000, -0.0028566300000000, 0.0013361200000000 ] - [ 0.0000000000000000, -0.0000331800000000, -0.0001072400000000 ] - [ 0.0000000000000000, -0.0007679800000000, -0.0813043500000000 ] - [ 0.0000000000000000, 0.0002213400000000, 0.0000052400000000 ] - [ 0.0000000000000000, 0.0005308400000000, -0.0010667100000000 ] - [ 0.0000000000000000, 0.0005825500000000, 0.0004117600000000 ] - [ 0.0000000000000000, -0.0001646800000000, 0.0107558100000000 ] - [ 0.0000000000000000, 0.0006111500000000, 0.0011598800000000 ] - [ 0.0000000000000000, 0.0005983900000000, 0.0020283700000000 ] - [ 0.0000000000000000, 0.0005810000000000, 0.0010033300000000 ] - [ -0.0017364000000000, -0.0007877900000000, 0.0012434500000000 ] - [ 0.0017364000000000, -0.0007877900000000, 0.0012434500000000 ] - [ -0.0006521500000000, -0.0000134800000000, 0.0008941600000000 ] - [ 0.0006521500000000, -0.0000134800000000, 0.0008941600000000 ] - [ 0.0029460400000000, -0.0006554600000000, 0.0012507400000000 ] - [ -0.0029460400000000, -0.0006554600000000, 0.0012507400000000 ] - [ 0.0012508600000000, -0.0010650600000000, 0.0008984800000000 ] - [ -0.0012508600000000, -0.0010650600000000, 0.0008984800000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0048050400000000, -0.0028331200000000, -0.0043679900000000 ] - [ 0.0000361700000000, -0.0004498100000000, -0.0003753800000000 ] - [ 0.0005089800000000, 0.0002187100000000, -0.0002314400000000 ] - [ 0.0001732900000000, -0.0002807700000000, -0.0002103800000000 ] - [ -0.0057678000000000, 0.0029381300000000, -0.0046013100000000 ] - [ 0.0005000600000000, -0.0003084300000000, -0.0002715000000000 ] - [ -0.0000941600000000, -0.0012903000000000, -0.0004597000000000 ] - [ 0.0003530000000000, -0.0004408800000000, -0.0002169800000000 ] - [ -0.0006188000000000, 0.0007746400000000, 0.0028461600000000 ] - [ 0.0003529900000000, 0.0005599000000000, 0.0001340700000000 ] - [ 0.0005448000000000, -0.0001448600000000, 0.0020016500000000 ] - [ 0.0003282500000000, 0.0001558100000000, 0.0000878800000000 ] - [ 0.0008307600000000, 0.0001680500000000, -0.0016802700000000 ] - [ 0.0001179800000000, 0.0003331500000000, -0.0004603900000000 ] - [ 0.0002490600000000, 0.0004542800000000, -0.0010426500000000 ] - [ 0.0001469700000000, 0.0003529300000000, -0.0003954200000000 ] - [ -0.0048050400000000, -0.0028331200000000, -0.0043679900000000 ] - [ -0.0000361700000000, -0.0004498100000000, -0.0003753800000000 ] - [ -0.0005089800000000, 0.0002187100000000, -0.0002314400000000 ] - [ -0.0001732900000000, -0.0002807700000000, -0.0002103800000000 ] - [ 0.0057678000000000, 0.0029381300000000, -0.0046013100000000 ] - [ -0.0005000600000000, -0.0003084300000000, -0.0002715000000000 ] - [ 0.0000941600000000, -0.0012903000000000, -0.0004597000000000 ] - [ -0.0003530000000000, -0.0004408800000000, -0.0002169800000000 ] - [ 0.0006188000000000, 0.0007746400000000, 0.0028461600000000 ] - [ -0.0003529900000000, 0.0005599000000000, 0.0001340700000000 ] - [ -0.0005448000000000, -0.0001448600000000, 0.0020016500000000 ] - [ -0.0003282500000000, 0.0001558100000000, 0.0000878800000000 ] - [ -0.0008307600000000, 0.0001680500000000, -0.0016802700000000 ] - [ -0.0001179800000000, 0.0003331500000000, -0.0004603900000000 ] - [ -0.0002490600000000, 0.0004542800000000, -0.0010426500000000 ] - [ -0.0001469700000000, 0.0003529300000000, -0.0003954200000000 ] - [ -0.0013614200000000, -0.0009353400000000, -0.0022496400000000 ] - [ 0.0013614200000000, -0.0009353400000000, -0.0022496400000000 ] - [ -0.0001919200000000, 0.0004627900000000, -0.0012928400000000 ] - [ 0.0001919200000000, 0.0004627900000000, -0.0012928400000000 ] - [ 0.0005162300000000, -0.0002258100000000, 0.0006802900000000 ] - [ -0.0005162300000000, -0.0002258100000000, 0.0006802900000000 ] - [ 0.0002294900000000, -0.0001393200000000, 0.0001140900000000 ] - [ -0.0002294900000000, -0.0001393200000000, 0.0001140900000000 ] - [ 0.0023628300000000, -0.0014257600000000, -0.0024985300000000 ] - [ -0.0023628300000000, -0.0014257600000000, -0.0024985300000000 ] - [ 0.0004330200000000, -0.0005429600000000, -0.0004251500000000 ] - [ -0.0004330200000000, -0.0005429600000000, -0.0004251500000000 ] - [ -0.0008833500000000, -0.0005939100000000, 0.0020145800000000 ] - [ 0.0008833500000000, -0.0005939100000000, 0.0020145800000000 ] - [ -0.0001582000000000, -0.0007728600000000, 0.0009317200000000 ] - [ 0.0001582000000000, -0.0007728600000000, 0.0009317200000000 ] - [ 0.0000000000000000, 0.0010989200000000, -0.0434794100000000 ] - [ 0.0000000000000000, -0.0001920100000000, -0.0009276900000000 ] - [ 0.0000000000000000, -0.0004446000000000, -0.0011243200000000 ] - [ 0.0000000000000000, -0.0000628600000000, -0.0007206800000000 ] - [ 0.0000000000000000, -0.0022608800000000, 0.0085338800000000 ] - [ 0.0000000000000000, -0.0000077000000000, -0.0002435400000000 ] - [ 0.0000000000000000, 0.0002449600000000, 0.0000502600000000 ] - [ 0.0000000000000000, 0.0000781400000000, -0.0004427100000000 ] - [ 0.0000000000000000, 0.0133448600000000, -0.0075593900000000 ] - [ 0.0000000000000000, 0.0004762100000000, 0.0002633800000000 ] - [ 0.0000000000000000, 0.0025938700000000, -0.0008383600000000 ] - [ 0.0000000000000000, 0.0008800200000000, 0.0002460100000000 ] - [ 0.0000000000000000, 0.0037241600000000, 0.0077673300000000 ] - [ 0.0000000000000000, 0.0006155900000000, 0.0005581400000000 ] - [ 0.0000000000000000, 0.0001538700000000, 0.0017070300000000 ] - [ 0.0000000000000000, 0.0006554400000000, 0.0004943100000000 ] - [ 0.0033021900000000, 0.0047654600000000, -0.0003852100000000 ] - [ -0.0005825600000000, -0.0004062700000000, -0.0001003700000000 ] - [ 0.0015284600000000, -0.0032986900000000, 0.0003775800000000 ] - [ -0.0004550900000000, -0.0003955500000000, -0.0000579400000000 ] - [ -0.0019762400000000, -0.0023260200000000, 0.0018258600000000 ] - [ 0.0000326700000000, -0.0004350300000000, 0.0002724500000000 ] - [ -0.0007467200000000, 0.0009147900000000, 0.0009845400000000 ] - [ -0.0000568000000000, -0.0002203700000000, 0.0002202300000000 ] - [ 0.0135187900000000, -0.0070642000000000, -0.0081685100000000 ] - [ 0.0019274500000000, 0.0001807900000000, -0.0004493200000000 ] - [ -0.0003906000000000, -0.0000377500000000, -0.0008455400000000 ] - [ 0.0002921300000000, 0.0002846200000000, -0.0002034400000000 ] - [ 0.0013942500000000, 0.0001137900000000, 0.0030563500000000 ] - [ -0.0001333600000000, 0.0003980900000000, 0.0005320000000000 ] - [ 0.0005635500000000, 0.0006821900000000, 0.0009531300000000 ] - [ -0.0000020300000000, 0.0003696500000000, 0.0003181800000000 ] - [ -0.0135187900000000, -0.0070642000000000, -0.0081685100000000 ] - [ -0.0019274500000000, 0.0001807900000000, -0.0004493200000000 ] - [ 0.0003906000000000, -0.0000377500000000, -0.0008455400000000 ] - [ -0.0002921300000000, 0.0002846200000000, -0.0002034400000000 ] - [ -0.0013942500000000, 0.0001137900000000, 0.0030563500000000 ] - [ 0.0001333600000000, 0.0003980900000000, 0.0005320000000000 ] - [ -0.0005635500000000, 0.0006821900000000, 0.0009531300000000 ] - [ 0.0000020300000000, 0.0003696500000000, 0.0003181800000000 ] - [ -0.0033021900000000, 0.0047654600000000, -0.0003852100000000 ] - [ 0.0005825600000000, -0.0004062700000000, -0.0001003700000000 ] - [ -0.0015284600000000, -0.0032986900000000, 0.0003775800000000 ] - [ 0.0004550900000000, -0.0003955500000000, -0.0000579400000000 ] - [ 0.0019762400000000, -0.0023260200000000, 0.0018258600000000 ] - [ -0.0000326700000000, -0.0004350300000000, 0.0002724500000000 ] - [ 0.0007467200000000, 0.0009147900000000, 0.0009845400000000 ] - [ 0.0000568000000000, -0.0002203700000000, 0.0002202300000000 ] - [ 0.0030569600000000, 0.0023478800000000, 0.0063513100000000 ] - [ -0.0030569600000000, 0.0023478800000000, 0.0063513100000000 ] - [ 0.0001720400000000, -0.0002989600000000, 0.0011468000000000 ] - [ -0.0001720400000000, -0.0002989600000000, 0.0011468000000000 ] - [ -0.0008842900000000, -0.0001888800000000, -0.0026406500000000 ] - [ 0.0008842900000000, -0.0001888800000000, -0.0026406500000000 ] - [ -0.0003429500000000, 0.0000003600000000, -0.0012081300000000 ] - [ 0.0003429500000000, 0.0000003600000000, -0.0012081300000000 ] - [ 0.0000000000000000, 0.0158600800000000, -0.0126655300000000 ] - [ 0.0000000000000000, 0.0001193100000000, -0.0003301500000000 ] - [ 0.0000000000000000, -0.0022303200000000, -0.0011836400000000 ] - [ 0.0000000000000000, -0.0001153200000000, -0.0002686800000000 ] - [ 0.0000000000000000, -0.0248770100000000, -0.0121295300000000 ] - [ 0.0000000000000000, 0.0004585300000000, -0.0004510600000000 ] - [ 0.0000000000000000, 0.0031209000000000, -0.0018204700000000 ] - [ 0.0000000000000000, 0.0002826500000000, -0.0003706400000000 ] - [ 0.0000000000000000, 0.0026875600000000, 0.0859830500000000 ] - [ 0.0000000000000000, 0.0009147900000000, 0.0014510500000000 ] - [ 0.0000000000000000, 0.0006021900000000, 0.0025286000000000 ] - [ 0.0000000000000000, 0.0005497600000000, 0.0010425100000000 ] - [ 0.0000000000000000, 0.0013018000000000, -0.0092577900000000 ] - [ 0.0000000000000000, 0.0005179700000000, 0.0002905800000000 ] - [ 0.0000000000000000, 0.0005336200000000, -0.0005801200000000 ] - [ 0.0000000000000000, 0.0005504900000000, 0.0004474100000000 ] - [ 0.0017305600000000, -0.0003452000000000, 0.0001958200000000 ] - [ -0.0017305600000000, -0.0003452000000000, 0.0001958200000000 ] - [ 0.0006508200000000, -0.0011221200000000, 0.0005505400000000 ] - [ -0.0006508200000000, -0.0011221200000000, 0.0005505400000000 ] - [ -0.0029609200000000, -0.0004741900000000, 0.0002031000000000 ] - [ 0.0029609200000000, -0.0004741900000000, 0.0002031000000000 ] - [ -0.0012568500000000, -0.0000661200000000, 0.0005554400000000 ] - [ 0.0012568500000000, -0.0000661200000000, 0.0005554400000000 ]