# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/d90c57a5-5679-4af3-be78-f3f7f4d3a15c/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 ZnI2 / I4_1/acd (142) / materials id 27161](https://mdr.nims.go.jp/datasets/630be8d5-1952-41a0-b70a-e85191730036) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "I4_1/acd" number: 142 Hall_symbol: "I 4bw 2aw -1bw"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ -6.165553365000000, 6.165553365000000, 11.622228450000000 ] # a - [ 6.165553365000000, -6.165553365000000, 11.622228450000000 ] # b - [ 6.165553365000000, 6.165553365000000, -11.622228450000000 ] # c points: - symbol: Zn # 1 coordinates: [ 0.562914070000000, 0.329064010000000, 0.016874040000000 ] mass: 65.380000 - symbol: Zn # 2 coordinates: [ 0.953959970000000, 0.187810030000000, 0.016874040000000 ] mass: 65.380000 - symbol: Zn # 3 coordinates: [ 0.170935990000000, 0.937085930000000, 0.983125960000000 ] mass: 65.380000 - symbol: Zn # 4 coordinates: [ 0.937810030000000, 0.420935990000000, 0.733850060000000 ] mass: 65.380000 - symbol: Zn # 5 coordinates: [ 0.687085930000000, 0.203959970000000, 0.266149940000000 ] mass: 65.380000 - symbol: Zn # 6 coordinates: [ 0.296040030000000, 0.812914070000000, 0.733850060000000 ] mass: 65.380000 - symbol: Zn # 7 coordinates: [ 0.079064010000000, 0.562189970000000, 0.266149940000000 ] mass: 65.380000 - symbol: Zn # 8 coordinates: [ 0.312189970000000, 0.546040030000000, 0.983125960000000 ] mass: 65.380000 - symbol: Zn # 9 coordinates: [ 0.187085930000000, 0.920935990000000, 0.483125960000000 ] mass: 65.380000 - symbol: Zn # 10 coordinates: [ 0.796040030000000, 0.062189970000000, 0.483125960000000 ] mass: 65.380000 - symbol: Zn # 11 coordinates: [ 0.579064010000000, 0.312914070000000, 0.516874040000000 ] mass: 65.380000 - symbol: Zn # 12 coordinates: [ 0.812189970000000, 0.829064010000000, 0.766149940000000 ] mass: 65.380000 - symbol: Zn # 13 coordinates: [ 0.062914070000000, 0.046040030000000, 0.233850060000000 ] mass: 65.380000 - symbol: Zn # 14 coordinates: [ 0.453959970000000, 0.437085930000000, 0.766149940000000 ] mass: 65.380000 - symbol: Zn # 15 coordinates: [ 0.670935990000000, 0.687810030000000, 0.233850060000000 ] mass: 65.380000 - symbol: Zn # 16 coordinates: [ 0.437810030000000, 0.703959970000000, 0.516874040000000 ] mass: 65.380000 - symbol: I # 17 coordinates: [ 0.734320730000000, 0.003315640000000, 0.236957730000000 ] mass: 126.904470 - symbol: I # 18 coordinates: [ 0.247363000000000, 0.984320730000000, 0.231005090000000 ] mass: 126.904470 - symbol: I # 19 coordinates: [ 0.753315640000000, 0.016357910000000, 0.768994910000000 ] mass: 126.904470 - symbol: I # 20 coordinates: [ 0.483642090000000, 0.746684360000000, 0.231005090000000 ] mass: 126.904470 - symbol: I # 21 coordinates: [ 0.515679270000000, 0.252637000000000, 0.768994910000000 ] mass: 126.904470 - symbol: I # 22 coordinates: [ 0.002637000000000, 0.733642090000000, 0.236957730000000 ] mass: 126.904470 - symbol: I # 23 coordinates: [ 0.496684360000000, 0.765679270000000, 0.763042270000000 ] mass: 126.904470 - symbol: I # 24 coordinates: [ 0.766357910000000, 0.497363000000000, 0.763042270000000 ] mass: 126.904470 - symbol: I # 25 coordinates: [ 0.015679270000000, 0.246684360000000, 0.263042270000000 ] mass: 126.904470 - symbol: I # 26 coordinates: [ 0.502637000000000, 0.265679270000000, 0.268994910000000 ] mass: 126.904470 - symbol: I # 27 coordinates: [ 0.996684360000000, 0.233642090000000, 0.731005090000000 ] mass: 126.904470 - symbol: I # 28 coordinates: [ 0.266357910000000, 0.503315640000000, 0.268994910000000 ] mass: 126.904470 - symbol: I # 29 coordinates: [ 0.234320730000000, 0.997363000000000, 0.731005090000000 ] mass: 126.904470 - symbol: I # 30 coordinates: [ 0.747363000000000, 0.516357910000000, 0.263042270000000 ] mass: 126.904470 - symbol: I # 31 coordinates: [ 0.253315640000000, 0.484320730000000, 0.736957730000000 ] mass: 126.904470 - symbol: I # 32 coordinates: [ 0.983642090000000, 0.752637000000000, 0.736957730000000 ] mass: 126.904470 - symbol: I # 33 coordinates: [ 0.858068290000000, 0.875000000000000, 0.483068290000000 ] mass: 126.904470 - symbol: I # 34 coordinates: [ 0.125000000000000, 0.108068290000000, 0.483068290000000 ] mass: 126.904470 - symbol: I # 35 coordinates: [ 0.625000000000000, 0.641931710000000, 0.516931710000000 ] mass: 126.904470 - symbol: I # 36 coordinates: [ 0.391931710000000, 0.375000000000000, 0.516931710000000 ] mass: 126.904470 - symbol: I # 37 coordinates: [ 0.891931710000000, 0.375000000000000, 0.016931710000000 ] mass: 126.904470 - symbol: I # 38 coordinates: [ 0.625000000000000, 0.141931710000000, 0.016931710000000 ] mass: 126.904470 - symbol: I # 39 coordinates: [ 0.125000000000000, 0.608068290000000, 0.983068290000000 ] mass: 126.904470 - symbol: I # 40 coordinates: [ 0.358068290000000, 0.875000000000000, 0.983068290000000 ] mass: 126.904470 - symbol: I # 41 coordinates: [ 0.118405080000000, 0.618405080000000, 0.500000000000000 ] mass: 126.904470 - symbol: I # 42 coordinates: [ 0.368405080000000, 0.368405080000000, 0.000000000000000 ] mass: 126.904470 - symbol: I # 43 coordinates: [ 0.131594920000000, 0.131594920000000, 0.000000000000000 ] mass: 126.904470 - symbol: I # 44 coordinates: [ 0.881594920000000, 0.381594920000000, 0.500000000000000 ] mass: 126.904470 - symbol: I # 45 coordinates: [ 0.631594920000000, 0.631594920000000, 0.000000000000000 ] mass: 126.904470 - symbol: I # 46 coordinates: [ 0.381594920000000, 0.881594920000000, 0.500000000000000 ] mass: 126.904470 - symbol: I # 47 coordinates: [ 0.618405080000000, 0.118405080000000, 0.500000000000000 ] mass: 126.904470 - symbol: I # 48 coordinates: [ 0.868405080000000, 0.868405080000000, 0.000000000000000 ] mass: 126.904470 reciprocal_lattice: # without 2pi - [ 0.000000000000000, 0.081095721730080, 0.043021009451935 ] # a* - [ 0.081095721730080, 0.000000000000000, 0.043021009451935 ] # b* - [ 0.081095721730080, 0.081095721730080, 0.000000000000000 ] # c*unit_cell: lattice: - [ 12.331106730000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 12.331106730000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 23.244456899999999 ] # c points: - symbol: Zn # 1 coordinates: [ 0.891511990000000, 0.125362050000000, 0.437552020000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 2 coordinates: [ 0.625362050000000, 0.391511990000000, 0.562447980000000 ] mass: 65.380000 reduced_to: 2 - symbol: Zn # 3 coordinates: [ 0.374637950000000, 0.608488010000000, 0.562447980000000 ] mass: 65.380000 reduced_to: 3 - symbol: Zn # 4 coordinates: [ 0.608488010000000, 0.125362050000000, 0.812447980000000 ] mass: 65.380000 reduced_to: 4 - symbol: Zn # 5 coordinates: [ 0.391511990000000, 0.874637950000000, 0.812447980000000 ] mass: 65.380000 reduced_to: 5 - symbol: Zn # 6 coordinates: [ 0.125362050000000, 0.608488010000000, 0.687552020000000 ] mass: 65.380000 reduced_to: 6 - symbol: Zn # 7 coordinates: [ 0.874637950000000, 0.391511990000000, 0.687552020000000 ] mass: 65.380000 reduced_to: 7 - symbol: Zn # 8 coordinates: [ 0.108488010000000, 0.874637950000000, 0.437552020000000 ] mass: 65.380000 reduced_to: 8 - symbol: Zn # 9 coordinates: [ 0.108488010000000, 0.374637950000000, 0.812447980000000 ] mass: 65.380000 reduced_to: 9 - symbol: Zn # 10 coordinates: [ 0.374637950000000, 0.108488010000000, 0.687552020000000 ] mass: 65.380000 reduced_to: 10 - symbol: Zn # 11 coordinates: [ 0.625362050000000, 0.891511990000000, 0.687552020000000 ] mass: 65.380000 reduced_to: 11 - symbol: Zn # 12 coordinates: [ 0.391511990000000, 0.374637950000000, 0.437552020000000 ] mass: 65.380000 reduced_to: 12 - symbol: Zn # 13 coordinates: [ 0.608488010000000, 0.625362050000000, 0.437552020000000 ] mass: 65.380000 reduced_to: 13 - symbol: Zn # 14 coordinates: [ 0.874637950000000, 0.891511990000000, 0.562447980000000 ] mass: 65.380000 reduced_to: 14 - symbol: Zn # 15 coordinates: [ 0.125362050000000, 0.108488010000000, 0.562447980000000 ] mass: 65.380000 reduced_to: 15 - symbol: Zn # 16 coordinates: [ 0.891511990000000, 0.625362050000000, 0.812447980000000 ] mass: 65.380000 reduced_to: 16 - symbol: Zn # 17 coordinates: [ 0.391511990000000, 0.625362050000000, 0.937552020000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 18 coordinates: [ 0.125362050000000, 0.891511990000000, 0.062447980000000 ] mass: 65.380000 reduced_to: 2 - symbol: Zn # 19 coordinates: [ 0.874637950000000, 0.108488010000000, 0.062447980000000 ] mass: 65.380000 reduced_to: 3 - symbol: Zn # 20 coordinates: [ 0.108488010000000, 0.625362050000000, 0.312447980000000 ] mass: 65.380000 reduced_to: 4 - symbol: Zn # 21 coordinates: [ 0.891511990000000, 0.374637950000000, 0.312447980000000 ] mass: 65.380000 reduced_to: 5 - symbol: Zn # 22 coordinates: [ 0.625362050000000, 0.108488010000000, 0.187552020000000 ] mass: 65.380000 reduced_to: 6 - symbol: Zn # 23 coordinates: [ 0.374637950000000, 0.891511990000000, 0.187552020000000 ] mass: 65.380000 reduced_to: 7 - symbol: Zn # 24 coordinates: [ 0.608488010000000, 0.374637950000000, 0.937552020000000 ] mass: 65.380000 reduced_to: 8 - symbol: Zn # 25 coordinates: [ 0.608488010000000, 0.874637950000000, 0.312447980000000 ] mass: 65.380000 reduced_to: 9 - symbol: Zn # 26 coordinates: [ 0.874637950000000, 0.608488010000000, 0.187552020000000 ] mass: 65.380000 reduced_to: 10 - symbol: Zn # 27 coordinates: [ 0.125362050000000, 0.391511990000000, 0.187552020000000 ] mass: 65.380000 reduced_to: 11 - symbol: Zn # 28 coordinates: [ 0.891511990000000, 0.874637950000000, 0.937552020000000 ] mass: 65.380000 reduced_to: 12 - symbol: Zn # 29 coordinates: [ 0.108488010000000, 0.125362050000000, 0.937552020000000 ] mass: 65.380000 reduced_to: 13 - symbol: Zn # 30 coordinates: [ 0.374637950000000, 0.391511990000000, 0.062447980000000 ] mass: 65.380000 reduced_to: 14 - symbol: Zn # 31 coordinates: [ 0.625362050000000, 0.608488010000000, 0.062447980000000 ] mass: 65.380000 reduced_to: 15 - symbol: Zn # 32 coordinates: [ 0.391511990000000, 0.125362050000000, 0.312447980000000 ] mass: 65.380000 reduced_to: 16 - symbol: I # 33 coordinates: [ 0.252976320000000, 0.983981410000000, 0.750339320000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 34 coordinates: [ 0.483981410000000, 0.747023680000000, 0.500339320000000 ] mass: 126.904470 reduced_to: 34 - symbol: I # 35 coordinates: [ 0.516018590000000, 0.252976320000000, 0.500339320000000 ] mass: 126.904470 reduced_to: 35 - symbol: I # 36 coordinates: [ 0.247023680000000, 0.983981410000000, 0.499660680000000 ] mass: 126.904470 reduced_to: 36 - symbol: I # 37 coordinates: [ 0.752976320000000, 0.016018590000000, 0.499660680000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 38 coordinates: [ 0.983981410000000, 0.252976320000000, 0.749660680000000 ] mass: 126.904470 reduced_to: 38 - symbol: I # 39 coordinates: [ 0.016018590000000, 0.747023680000000, 0.749660680000000 ] mass: 126.904470 reduced_to: 39 - symbol: I # 40 coordinates: [ 0.747023680000000, 0.016018590000000, 0.750339320000000 ] mass: 126.904470 reduced_to: 40 - symbol: I # 41 coordinates: [ 0.747023680000000, 0.516018590000000, 0.499660680000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 42 coordinates: [ 0.516018590000000, 0.752976320000000, 0.749660680000000 ] mass: 126.904470 reduced_to: 42 - symbol: I # 43 coordinates: [ 0.483981410000000, 0.247023680000000, 0.749660680000000 ] mass: 126.904470 reduced_to: 43 - symbol: I # 44 coordinates: [ 0.752976320000000, 0.516018590000000, 0.750339320000000 ] mass: 126.904470 reduced_to: 44 - symbol: I # 45 coordinates: [ 0.247023680000000, 0.483981410000000, 0.750339320000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 46 coordinates: [ 0.016018590000000, 0.247023680000000, 0.500339320000000 ] mass: 126.904470 reduced_to: 46 - symbol: I # 47 coordinates: [ 0.983981410000000, 0.752976320000000, 0.500339320000000 ] mass: 126.904470 reduced_to: 47 - symbol: I # 48 coordinates: [ 0.252976320000000, 0.483981410000000, 0.499660680000000 ] mass: 126.904470 reduced_to: 48 - symbol: I # 49 coordinates: [ 0.250000000000000, 0.233068290000000, 0.625000000000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 50 coordinates: [ 0.733068290000000, 0.750000000000000, 0.375000000000000 ] mass: 126.904470 reduced_to: 50 - symbol: I # 51 coordinates: [ 0.266931710000000, 0.250000000000000, 0.375000000000000 ] mass: 126.904470 reduced_to: 51 - symbol: I # 52 coordinates: [ 0.750000000000000, 0.766931710000000, 0.625000000000000 ] mass: 126.904470 reduced_to: 52 - symbol: I # 53 coordinates: [ 0.750000000000000, 0.266931710000000, 0.625000000000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 54 coordinates: [ 0.766931710000000, 0.250000000000000, 0.375000000000000 ] mass: 126.904470 reduced_to: 54 - symbol: I # 55 coordinates: [ 0.233068290000000, 0.750000000000000, 0.375000000000000 ] mass: 126.904470 reduced_to: 55 - symbol: I # 56 coordinates: [ 0.250000000000000, 0.733068290000000, 0.625000000000000 ] mass: 126.904470 reduced_to: 56 - symbol: I # 57 coordinates: [ 0.000000000000000, 0.500000000000000, 0.618405080000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 58 coordinates: [ 0.500000000000000, 0.500000000000000, 0.868405080000000 ] mass: 126.904470 reduced_to: 58 - symbol: I # 59 coordinates: [ 0.500000000000000, 0.500000000000000, 0.631594920000000 ] mass: 126.904470 reduced_to: 59 - symbol: I # 60 coordinates: [ 0.000000000000000, 0.500000000000000, 0.381594920000000 ] mass: 126.904470 reduced_to: 60 - symbol: I # 61 coordinates: [ 0.000000000000000, 0.000000000000000, 0.631594920000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 62 coordinates: [ 0.500000000000000, 0.000000000000000, 0.381594920000000 ] mass: 126.904470 reduced_to: 62 - symbol: I # 63 coordinates: [ 0.500000000000000, 0.000000000000000, 0.618405080000000 ] mass: 126.904470 reduced_to: 63 - symbol: I # 64 coordinates: [ 0.000000000000000, 0.000000000000000, 0.868405080000000 ] mass: 126.904470 reduced_to: 64 - symbol: I # 65 coordinates: [ 0.752976320000000, 0.483981410000000, 0.250339320000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 66 coordinates: [ 0.983981410000000, 0.247023680000000, 0.000339320000000 ] mass: 126.904470 reduced_to: 34 - symbol: I # 67 coordinates: [ 0.016018590000000, 0.752976320000000, 0.000339320000000 ] mass: 126.904470 reduced_to: 35 - symbol: I # 68 coordinates: [ 0.747023680000000, 0.483981410000000, 0.999660680000000 ] mass: 126.904470 reduced_to: 36 - symbol: I # 69 coordinates: [ 0.252976320000000, 0.516018590000000, 0.999660680000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 70 coordinates: [ 0.483981410000000, 0.752976320000000, 0.249660680000000 ] mass: 126.904470 reduced_to: 38 - symbol: I # 71 coordinates: [ 0.516018590000000, 0.247023680000000, 0.249660680000000 ] mass: 126.904470 reduced_to: 39 - symbol: I # 72 coordinates: [ 0.247023680000000, 0.516018590000000, 0.250339320000000 ] mass: 126.904470 reduced_to: 40 - symbol: I # 73 coordinates: [ 0.247023680000000, 0.016018590000000, 0.999660680000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 74 coordinates: [ 0.016018590000000, 0.252976320000000, 0.249660680000000 ] mass: 126.904470 reduced_to: 42 - symbol: I # 75 coordinates: [ 0.983981410000000, 0.747023680000000, 0.249660680000000 ] mass: 126.904470 reduced_to: 43 - symbol: I # 76 coordinates: [ 0.252976320000000, 0.016018590000000, 0.250339320000000 ] mass: 126.904470 reduced_to: 44 - symbol: I # 77 coordinates: [ 0.747023680000000, 0.983981410000000, 0.250339320000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 78 coordinates: [ 0.516018590000000, 0.747023680000000, 0.000339320000000 ] mass: 126.904470 reduced_to: 46 - symbol: I # 79 coordinates: [ 0.483981410000000, 0.252976320000000, 0.000339320000000 ] mass: 126.904470 reduced_to: 47 - symbol: I # 80 coordinates: [ 0.752976320000000, 0.983981410000000, 0.999660680000000 ] mass: 126.904470 reduced_to: 48 - symbol: I # 81 coordinates: [ 0.750000000000000, 0.733068290000000, 0.125000000000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 82 coordinates: [ 0.233068290000000, 0.250000000000000, 0.875000000000000 ] mass: 126.904470 reduced_to: 50 - symbol: I # 83 coordinates: [ 0.766931710000000, 0.750000000000000, 0.875000000000000 ] mass: 126.904470 reduced_to: 51 - symbol: I # 84 coordinates: [ 0.250000000000000, 0.266931710000000, 0.125000000000000 ] mass: 126.904470 reduced_to: 52 - symbol: I # 85 coordinates: [ 0.250000000000000, 0.766931710000000, 0.125000000000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 86 coordinates: [ 0.266931710000000, 0.750000000000000, 0.875000000000000 ] mass: 126.904470 reduced_to: 54 - symbol: I # 87 coordinates: [ 0.733068290000000, 0.250000000000000, 0.875000000000000 ] mass: 126.904470 reduced_to: 55 - symbol: I # 88 coordinates: [ 0.750000000000000, 0.233068290000000, 0.125000000000000 ] mass: 126.904470 reduced_to: 56 - symbol: I # 89 coordinates: [ 0.500000000000000, 0.000000000000000, 0.118405080000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 90 coordinates: [ 0.000000000000000, 0.000000000000000, 0.368405080000000 ] mass: 126.904470 reduced_to: 58 - symbol: I # 91 coordinates: [ 0.000000000000000, 0.000000000000000, 0.131594920000000 ] mass: 126.904470 reduced_to: 59 - symbol: I # 92 coordinates: [ 0.500000000000000, 0.000000000000000, 0.881594920000000 ] mass: 126.904470 reduced_to: 60 - symbol: I # 93 coordinates: [ 0.500000000000000, 0.500000000000000, 0.131594920000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 94 coordinates: [ 0.000000000000000, 0.500000000000000, 0.881594920000000 ] mass: 126.904470 reduced_to: 62 - symbol: I # 95 coordinates: [ 0.000000000000000, 0.500000000000000, 0.118405080000000 ] mass: 126.904470 reduced_to: 63 - symbol: I # 96 coordinates: [ 0.500000000000000, 0.500000000000000, 0.368405080000000 ] mass: 126.904470 reduced_to: 64supercell: lattice: - [ 12.331106730000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 12.331106730000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 23.244456899999999 ] # c points: - symbol: Zn # 1 coordinates: [ 0.891511990000000, 0.125362050000000, 0.437552020000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 2 coordinates: [ 0.625362050000000, 0.391511990000000, 0.562447980000000 ] mass: 65.380000 reduced_to: 2 - symbol: Zn # 3 coordinates: [ 0.374637950000000, 0.608488010000000, 0.562447980000000 ] mass: 65.380000 reduced_to: 3 - symbol: Zn # 4 coordinates: [ 0.608488010000000, 0.125362050000000, 0.812447980000000 ] mass: 65.380000 reduced_to: 4 - symbol: Zn # 5 coordinates: [ 0.391511990000000, 0.874637950000000, 0.812447980000000 ] mass: 65.380000 reduced_to: 5 - symbol: Zn # 6 coordinates: [ 0.125362050000000, 0.608488010000000, 0.687552020000000 ] mass: 65.380000 reduced_to: 6 - symbol: Zn # 7 coordinates: [ 0.874637950000000, 0.391511990000000, 0.687552020000000 ] mass: 65.380000 reduced_to: 7 - symbol: Zn # 8 coordinates: [ 0.108488010000000, 0.874637950000000, 0.437552020000000 ] mass: 65.380000 reduced_to: 8 - symbol: Zn # 9 coordinates: [ 0.108488010000000, 0.374637950000000, 0.812447980000000 ] mass: 65.380000 reduced_to: 9 - symbol: Zn # 10 coordinates: [ 0.374637950000000, 0.108488010000000, 0.687552020000000 ] mass: 65.380000 reduced_to: 10 - symbol: Zn # 11 coordinates: [ 0.625362050000000, 0.891511990000000, 0.687552020000000 ] mass: 65.380000 reduced_to: 11 - symbol: Zn # 12 coordinates: [ 0.391511990000000, 0.374637950000000, 0.437552020000000 ] mass: 65.380000 reduced_to: 12 - symbol: Zn # 13 coordinates: [ 0.608488010000000, 0.625362050000000, 0.437552020000000 ] mass: 65.380000 reduced_to: 13 - symbol: Zn # 14 coordinates: [ 0.874637950000000, 0.891511990000000, 0.562447980000000 ] mass: 65.380000 reduced_to: 14 - symbol: Zn # 15 coordinates: [ 0.125362050000000, 0.108488010000000, 0.562447980000000 ] mass: 65.380000 reduced_to: 15 - symbol: Zn # 16 coordinates: [ 0.891511990000000, 0.625362050000000, 0.812447980000000 ] mass: 65.380000 reduced_to: 16 - symbol: Zn # 17 coordinates: [ 0.391511990000000, 0.625362050000000, 0.937552020000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 18 coordinates: [ 0.125362050000000, 0.891511990000000, 0.062447980000000 ] mass: 65.380000 reduced_to: 2 - symbol: Zn # 19 coordinates: [ 0.874637950000000, 0.108488010000000, 0.062447980000000 ] mass: 65.380000 reduced_to: 3 - symbol: Zn # 20 coordinates: [ 0.108488010000000, 0.625362050000000, 0.312447980000000 ] mass: 65.380000 reduced_to: 4 - symbol: Zn # 21 coordinates: [ 0.891511990000000, 0.374637950000000, 0.312447980000000 ] mass: 65.380000 reduced_to: 5 - symbol: Zn # 22 coordinates: [ 0.625362050000000, 0.108488010000000, 0.187552020000000 ] mass: 65.380000 reduced_to: 6 - symbol: Zn # 23 coordinates: [ 0.374637950000000, 0.891511990000000, 0.187552020000000 ] mass: 65.380000 reduced_to: 7 - symbol: Zn # 24 coordinates: [ 0.608488010000000, 0.374637950000000, 0.937552020000000 ] mass: 65.380000 reduced_to: 8 - symbol: Zn # 25 coordinates: [ 0.608488010000000, 0.874637950000000, 0.312447980000000 ] mass: 65.380000 reduced_to: 9 - symbol: Zn # 26 coordinates: [ 0.874637950000000, 0.608488010000000, 0.187552020000000 ] mass: 65.380000 reduced_to: 10 - symbol: Zn # 27 coordinates: [ 0.125362050000000, 0.391511990000000, 0.187552020000000 ] mass: 65.380000 reduced_to: 11 - symbol: Zn # 28 coordinates: [ 0.891511990000000, 0.874637950000000, 0.937552020000000 ] mass: 65.380000 reduced_to: 12 - symbol: Zn # 29 coordinates: [ 0.108488010000000, 0.125362050000000, 0.937552020000000 ] mass: 65.380000 reduced_to: 13 - symbol: Zn # 30 coordinates: [ 0.374637950000000, 0.391511990000000, 0.062447980000000 ] mass: 65.380000 reduced_to: 14 - symbol: Zn # 31 coordinates: [ 0.625362050000000, 0.608488010000000, 0.062447980000000 ] mass: 65.380000 reduced_to: 15 - symbol: Zn # 32 coordinates: [ 0.391511990000000, 0.125362050000000, 0.312447980000000 ] mass: 65.380000 reduced_to: 16 - symbol: I # 33 coordinates: [ 0.252976320000000, 0.983981410000000, 0.750339320000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 34 coordinates: [ 0.483981410000000, 0.747023680000000, 0.500339320000000 ] mass: 126.904470 reduced_to: 34 - symbol: I # 35 coordinates: [ 0.516018590000000, 0.252976320000000, 0.500339320000000 ] mass: 126.904470 reduced_to: 35 - symbol: I # 36 coordinates: [ 0.247023680000000, 0.983981410000000, 0.499660680000000 ] mass: 126.904470 reduced_to: 36 - symbol: I # 37 coordinates: [ 0.752976320000000, 0.016018590000000, 0.499660680000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 38 coordinates: [ 0.983981410000000, 0.252976320000000, 0.749660680000000 ] mass: 126.904470 reduced_to: 38 - symbol: I # 39 coordinates: [ 0.016018590000000, 0.747023680000000, 0.749660680000000 ] mass: 126.904470 reduced_to: 39 - symbol: I # 40 coordinates: [ 0.747023680000000, 0.016018590000000, 0.750339320000000 ] mass: 126.904470 reduced_to: 40 - symbol: I # 41 coordinates: [ 0.747023680000000, 0.516018590000000, 0.499660680000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 42 coordinates: [ 0.516018590000000, 0.752976320000000, 0.749660680000000 ] mass: 126.904470 reduced_to: 42 - symbol: I # 43 coordinates: [ 0.483981410000000, 0.247023680000000, 0.749660680000000 ] mass: 126.904470 reduced_to: 43 - symbol: I # 44 coordinates: [ 0.752976320000000, 0.516018590000000, 0.750339320000000 ] mass: 126.904470 reduced_to: 44 - symbol: I # 45 coordinates: [ 0.247023680000000, 0.483981410000000, 0.750339320000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 46 coordinates: [ 0.016018590000000, 0.247023680000000, 0.500339320000000 ] mass: 126.904470 reduced_to: 46 - symbol: I # 47 coordinates: [ 0.983981410000000, 0.752976320000000, 0.500339320000000 ] mass: 126.904470 reduced_to: 47 - symbol: I # 48 coordinates: [ 0.252976320000000, 0.483981410000000, 0.499660680000000 ] mass: 126.904470 reduced_to: 48 - symbol: I # 49 coordinates: [ 0.250000000000000, 0.233068290000000, 0.625000000000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 50 coordinates: [ 0.733068290000000, 0.750000000000000, 0.375000000000000 ] mass: 126.904470 reduced_to: 50 - symbol: I # 51 coordinates: [ 0.266931710000000, 0.250000000000000, 0.375000000000000 ] mass: 126.904470 reduced_to: 51 - symbol: I # 52 coordinates: [ 0.750000000000000, 0.766931710000000, 0.625000000000000 ] mass: 126.904470 reduced_to: 52 - symbol: I # 53 coordinates: [ 0.750000000000000, 0.266931710000000, 0.625000000000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 54 coordinates: [ 0.766931710000000, 0.250000000000000, 0.375000000000000 ] mass: 126.904470 reduced_to: 54 - symbol: I # 55 coordinates: [ 0.233068290000000, 0.750000000000000, 0.375000000000000 ] mass: 126.904470 reduced_to: 55 - symbol: I # 56 coordinates: [ 0.250000000000000, 0.733068290000000, 0.625000000000000 ] mass: 126.904470 reduced_to: 56 - symbol: I # 57 coordinates: [ 0.000000000000000, 0.500000000000000, 0.618405080000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 58 coordinates: [ 0.500000000000000, 0.500000000000000, 0.868405080000000 ] mass: 126.904470 reduced_to: 58 - symbol: I # 59 coordinates: [ 0.500000000000000, 0.500000000000000, 0.631594920000000 ] mass: 126.904470 reduced_to: 59 - symbol: I # 60 coordinates: [ 0.000000000000000, 0.500000000000000, 0.381594920000000 ] mass: 126.904470 reduced_to: 60 - symbol: I # 61 coordinates: [ 0.000000000000000, 0.000000000000000, 0.631594920000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 62 coordinates: [ 0.500000000000000, 0.000000000000000, 0.381594920000000 ] mass: 126.904470 reduced_to: 62 - symbol: I # 63 coordinates: [ 0.500000000000000, 0.000000000000000, 0.618405080000000 ] mass: 126.904470 reduced_to: 63 - symbol: I # 64 coordinates: [ 0.000000000000000, 0.000000000000000, 0.868405080000000 ] mass: 126.904470 reduced_to: 64 - symbol: I # 65 coordinates: [ 0.752976320000000, 0.483981410000000, 0.250339320000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 66 coordinates: [ 0.983981410000000, 0.247023680000000, 0.000339320000000 ] mass: 126.904470 reduced_to: 34 - symbol: I # 67 coordinates: [ 0.016018590000000, 0.752976320000000, 0.000339320000000 ] mass: 126.904470 reduced_to: 35 - symbol: I # 68 coordinates: [ 0.747023680000000, 0.483981410000000, 0.999660680000000 ] mass: 126.904470 reduced_to: 36 - symbol: I # 69 coordinates: [ 0.252976320000000, 0.516018590000000, 0.999660680000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 70 coordinates: [ 0.483981410000000, 0.752976320000000, 0.249660680000000 ] mass: 126.904470 reduced_to: 38 - symbol: I # 71 coordinates: [ 0.516018590000000, 0.247023680000000, 0.249660680000000 ] mass: 126.904470 reduced_to: 39 - symbol: I # 72 coordinates: [ 0.247023680000000, 0.516018590000000, 0.250339320000000 ] mass: 126.904470 reduced_to: 40 - symbol: I # 73 coordinates: [ 0.247023680000000, 0.016018590000000, 0.999660680000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 74 coordinates: [ 0.016018590000000, 0.252976320000000, 0.249660680000000 ] mass: 126.904470 reduced_to: 42 - symbol: I # 75 coordinates: [ 0.983981410000000, 0.747023680000000, 0.249660680000000 ] mass: 126.904470 reduced_to: 43 - symbol: I # 76 coordinates: [ 0.252976320000000, 0.016018590000000, 0.250339320000000 ] mass: 126.904470 reduced_to: 44 - symbol: I # 77 coordinates: [ 0.747023680000000, 0.983981410000000, 0.250339320000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 78 coordinates: [ 0.516018590000000, 0.747023680000000, 0.000339320000000 ] mass: 126.904470 reduced_to: 46 - symbol: I # 79 coordinates: [ 0.483981410000000, 0.252976320000000, 0.000339320000000 ] mass: 126.904470 reduced_to: 47 - symbol: I # 80 coordinates: [ 0.752976320000000, 0.983981410000000, 0.999660680000000 ] mass: 126.904470 reduced_to: 48 - symbol: I # 81 coordinates: [ 0.750000000000000, 0.733068290000000, 0.125000000000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 82 coordinates: [ 0.233068290000000, 0.250000000000000, 0.875000000000000 ] mass: 126.904470 reduced_to: 50 - symbol: I # 83 coordinates: [ 0.766931710000000, 0.750000000000000, 0.875000000000000 ] mass: 126.904470 reduced_to: 51 - symbol: I # 84 coordinates: [ 0.250000000000000, 0.266931710000000, 0.125000000000000 ] mass: 126.904470 reduced_to: 52 - symbol: I # 85 coordinates: [ 0.250000000000000, 0.766931710000000, 0.125000000000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 86 coordinates: [ 0.266931710000000, 0.750000000000000, 0.875000000000000 ] mass: 126.904470 reduced_to: 54 - symbol: I # 87 coordinates: [ 0.733068290000000, 0.250000000000000, 0.875000000000000 ] mass: 126.904470 reduced_to: 55 - symbol: I # 88 coordinates: [ 0.750000000000000, 0.233068290000000, 0.125000000000000 ] mass: 126.904470 reduced_to: 56 - symbol: I # 89 coordinates: [ 0.500000000000000, 0.000000000000000, 0.118405080000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 90 coordinates: [ 0.000000000000000, 0.000000000000000, 0.368405080000000 ] mass: 126.904470 reduced_to: 58 - symbol: I # 91 coordinates: [ 0.000000000000000, 0.000000000000000, 0.131594920000000 ] mass: 126.904470 reduced_to: 59 - symbol: I # 92 coordinates: [ 0.500000000000000, 0.000000000000000, 0.881594920000000 ] mass: 126.904470 reduced_to: 60 - symbol: I # 93 coordinates: [ 0.500000000000000, 0.500000000000000, 0.131594920000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 94 coordinates: [ 0.000000000000000, 0.500000000000000, 0.881594920000000 ] mass: 126.904470 reduced_to: 62 - symbol: I # 95 coordinates: [ 0.000000000000000, 0.500000000000000, 0.118405080000000 ] mass: 126.904470 reduced_to: 63 - symbol: I # 96 coordinates: [ 0.500000000000000, 0.500000000000000, 0.368405080000000 ] mass: 126.904470 reduced_to: 64displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0578905100000000, -0.0009543400000000, 0.0003139900000000 ] - [ -0.0000740100000000, -0.0006103100000000, -0.0010177500000000 ] - [ 0.0004910800000000, 0.0006901800000000, -0.0005205700000000 ] - [ 0.0006218000000000, -0.0002159200000000, -0.0006016400000000 ] - [ -0.0003506800000000, -0.0000145900000000, -0.0006606100000000 ] - [ 0.0002193400000000, 0.0007097900000000, 0.0009098500000000 ] - [ -0.0005078600000000, -0.0006705000000000, 0.0008690400000000 ] - [ 0.0024609500000000, -0.0031729200000000, 0.0027611700000000 ] - [ 0.0004563800000000, 0.0000590100000000, -0.0005059900000000 ] - [ 0.0007235700000000, -0.0003134100000000, 0.0008348300000000 ] - [ 0.0003010800000000, -0.0007641300000000, 0.0001600600000000 ] - [ 0.0004013700000000, 0.0000739100000000, 0.0009485300000000 ] - [ 0.0006771800000000, -0.0001446700000000, 0.0005617100000000 ] - [ -0.0045646300000000, 0.0022271700000000, -0.0030988400000000 ] - [ 0.0022738100000000, -0.0022258600000000, 0.0027622000000000 ] - [ -0.0006299400000000, -0.0001213700000000, -0.0005929900000000 ] - [ -0.0004669900000000, -0.0000797400000000, 0.0006780500000000 ] - [ -0.0000937300000000, -0.0004839500000000, -0.0006539300000000 ] - [ -0.0000395900000000, 0.0005480200000000, -0.0005941200000000 ] - [ 0.0003081000000000, -0.0007223500000000, -0.0005992500000000 ] - [ -0.0045582600000000, -0.0022301900000000, 0.0013871200000000 ] - [ -0.0000295900000000, 0.0006711500000000, 0.0007921300000000 ] - [ 0.0002944500000000, -0.0007102100000000, 0.0005273400000000 ] - [ 0.0004915500000000, 0.0000795200000000, 0.0006872200000000 ] - [ 0.0005682600000000, 0.0002336800000000, -0.0003685200000000 ] - [ -0.0010104300000000, -0.0003134700000000, 0.0007584400000000 ] - [ -0.0001663100000000, -0.0007644100000000, 0.0006504500000000 ] - [ -0.0005175700000000, 0.0000752400000000, 0.0006719700000000 ] - [ 0.0004591900000000, -0.0000880800000000, 0.0006788400000000 ] - [ 0.0001173900000000, -0.0004786700000000, -0.0005521700000000 ] - [ -0.0000373400000000, 0.0004783300000000, -0.0005215000000000 ] - [ 0.0003225700000000, -0.0004420500000000, -0.0007135200000000 ] - [ -0.0006446500000000, 0.0005013700000000, 0.0000450400000000 ] - [ 0.0002673800000000, 0.0004086000000000, 0.0002497300000000 ] - [ -0.0005709100000000, -0.0003295000000000, -0.0001172000000000 ] - [ -0.0002375300000000, 0.0010214400000000, -0.0004664600000000 ] - [ 0.0196698500000000, 0.0103055400000000, -0.0117080200000000 ] - [ 0.0004566700000000, -0.0004941100000000, -0.0000748900000000 ] - [ -0.0003146700000000, 0.0004152400000000, -0.0002278800000000 ] - [ 0.0004599400000000, -0.0003185100000000, 0.0001363700000000 ] - [ 0.0003932800000000, -0.0003182000000000, 0.0000624900000000 ] - [ -0.0005271800000000, -0.0004908100000000, 0.0000727300000000 ] - [ 0.0002391800000000, 0.0006279700000000, -0.0001918000000000 ] - [ -0.0003686900000000, -0.0004425300000000, 0.0000624100000000 ] - [ 0.0005016400000000, 0.0004441300000000, -0.0000659200000000 ] - [ 0.0122648400000000, 0.0153756800000000, 0.0120022100000000 ] - [ 0.0015184300000000, -0.0005135100000000, -0.0008915300000000 ] - [ -0.0008699000000000, 0.0005150800000000, -0.0001774000000000 ] - [ -0.0007110300000000, 0.0000950700000000, -0.0007187400000000 ] - [ -0.0005022000000000, -0.0001162300000000, -0.0001092600000000 ] - [ -0.0000483800000000, 0.0001850100000000, -0.0001429300000000 ] - [ -0.0001997900000000, -0.0005351300000000, 0.0011788500000000 ] - [ 0.0003425100000000, 0.0002999800000000, 0.0000130500000000 ] - [ 0.0178820700000000, -0.0112177100000000, 0.0106093500000000 ] - [ -0.0004675900000000, 0.0008141600000000, 0.0002352100000000 ] - [ -0.0000607200000000, -0.0003459300000000, 0.0000336000000000 ] - [ -0.0001175100000000, -0.0000086100000000, -0.0005662100000000 ] - [ 0.0000061200000000, 0.0000044500000000, -0.0002327400000000 ] - [ -0.0001503100000000, 0.0000698200000000, 0.0002496800000000 ] - [ 0.0005294400000000, 0.0007507700000000, 0.0000877100000000 ] - [ 0.0012523000000000, 0.0009312300000000, 0.0000747800000000 ] - [ -0.0001338600000000, 0.0001636200000000, 0.0000566800000000 ] - [ -0.0002163900000000, 0.0003695900000000, -0.0001272200000000 ] - [ 0.0000073700000000, 0.0000075200000000, -0.0002256000000000 ] - [ 0.0000769100000000, 0.0015847100000000, -0.0010527300000000 ] - [ 0.0004442900000000, 0.0005064100000000, 0.0000224200000000 ] - [ -0.0004109400000000, -0.0005117400000000, 0.0000422800000000 ] - [ 0.0005105000000000, 0.0003986300000000, -0.0000757500000000 ] - [ -0.0005305500000000, -0.0003970600000000, -0.0000759000000000 ] - [ 0.0003150300000000, -0.0005099100000000, -0.0001351900000000 ] - [ -0.0006257900000000, 0.0003946600000000, 0.0000367400000000 ] - [ 0.0005490500000000, -0.0002670800000000, 0.0001505700000000 ] - [ 0.0005203500000000, -0.0004154600000000, -0.0000468900000000 ] - [ 0.0000664500000000, -0.0003185700000000, -0.0006080800000000 ] - [ 0.0008437700000000, 0.0008913200000000, 0.0001706200000000 ] - [ -0.0007628200000000, -0.0003184600000000, -0.0000871000000000 ] - [ 0.0003991500000000, 0.0002798200000000, -0.0000907000000000 ] - [ -0.0004331000000000, 0.0005225400000000, 0.0000131500000000 ] - [ 0.0004377900000000, -0.0005215400000000, 0.0000056400000000 ] - [ -0.0004882700000000, 0.0004107800000000, -0.0000682000000000 ] - [ 0.0000030600000000, -0.0000855600000000, -0.0001873500000000 ] - [ -0.0002882300000000, 0.0000333100000000, -0.0000396500000000 ] - [ 0.0003378000000000, -0.0000072200000000, -0.0000219200000000 ] - [ 0.0000617900000000, 0.0003531200000000, -0.0000726500000000 ] - [ -0.0000037900000000, 0.0003179600000000, 0.0000252100000000 ] - [ 0.0002646400000000, 0.0000202600000000, -0.0000052200000000 ] - [ -0.0003375800000000, -0.0000063100000000, -0.0000323300000000 ] - [ 0.0000412000000000, -0.0003444000000000, -0.0000179500000000 ] - [ -0.0000855700000000, -0.0000519500000000, -0.0001469600000000 ] - [ 0.0092345300000000, -0.0104521300000000, -0.0132199700000000 ] - [ 0.0000391400000000, -0.0000249200000000, 0.0001845300000000 ] - [ -0.0000074300000000, 0.0000271000000000, 0.0002037400000000 ] - [ -0.0000120900000000, -0.0000337700000000, 0.0001572300000000 ] - [ 0.0000321900000000, -0.0000110000000000, 0.0001673000000000 ] - [ 0.0001169700000000, 0.0000810000000000, -0.0001288400000000 ] - [ -0.0002087600000000, -0.0000448900000000, -0.0001436700000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0569873200000000, 0.0007697500000000, 0.0007117300000000 ] - [ -0.0000791200000000, -0.0003545500000000, -0.0002479800000000 ] - [ -0.0003333500000000, 0.0002757000000000, -0.0007484200000000 ] - [ 0.0003455000000000, 0.0000605300000000, -0.0006658600000000 ] - [ -0.0006133800000000, 0.0001697800000000, -0.0006065300000000 ] - [ -0.0003722100000000, 0.0002560300000000, 0.0003573300000000 ] - [ 0.0006663600000000, -0.0002947300000000, 0.0003989500000000 ] - [ -0.0014869600000000, 0.0033193100000000, -0.0015001500000000 ] - [ 0.0005118400000000, 0.0000965600000000, -0.0007612100000000 ] - [ -0.0005663200000000, 0.0012791800000000, 0.0004305200000000 ] - [ -0.0004563300000000, -0.0002004000000000, 0.0011066600000000 ] - [ -0.0013650500000000, 0.0000851300000000, 0.0003197000000000 ] - [ 0.0002891700000000, -0.0000106700000000, 0.0007056300000000 ] - [ 0.0047302500000000, -0.0031956700000000, 0.0018333300000000 ] - [ -0.0024187100000000, 0.0031976800000000, -0.0040200400000000 ] - [ -0.0003337900000000, -0.0000338500000000, -0.0006739500000000 ] - [ -0.0004961600000000, -0.0000765900000000, 0.0005894800000000 ] - [ -0.0000589700000000, -0.0004824000000000, -0.0006130900000000 ] - [ 0.0001973600000000, 0.0004176500000000, -0.0006734400000000 ] - [ 0.0006611300000000, 0.0005684300000000, -0.0006678900000000 ] - [ 0.0036029900000000, 0.0023888700000000, -0.0026576300000000 ] - [ -0.0001246200000000, 0.0002956600000000, 0.0004746300000000 ] - [ -0.0001370500000000, -0.0002551700000000, 0.0007400400000000 ] - [ 0.0004758900000000, 0.0000757000000000, 0.0005797900000000 ] - [ 0.0003999800000000, -0.0000793900000000, -0.0008993900000000 ] - [ 0.0011679600000000, 0.0012793700000000, 0.0005085500000000 ] - [ 0.0000132500000000, -0.0002007200000000, 0.0006160900000000 ] - [ -0.0004466200000000, 0.0000802500000000, 0.0005951000000000 ] - [ 0.0005087300000000, -0.0000673000000000, 0.0005881700000000 ] - [ 0.0000396700000000, -0.0004869700000000, -0.0007152500000000 ] - [ -0.0001165800000000, 0.0004875300000000, -0.0007461600000000 ] - [ -0.0012857600000000, 0.0002865100000000, -0.0005567200000000 ] - [ -0.0003938700000000, 0.0003341100000000, 0.0000417200000000 ] - [ 0.0005710600000000, 0.0006332200000000, -0.0001634500000000 ] - [ -0.0002612800000000, -0.0007142300000000, 0.0002035100000000 ] - [ 0.0012799300000000, -0.0001851300000000, 0.0003795100000000 ] - [ -0.0210918500000000, -0.0115772300000000, 0.0120889700000000 ] - [ 0.0003820200000000, -0.0005469900000000, -0.0000095800000000 ] - [ -0.0005188100000000, 0.0006254500000000, 0.0001414800000000 ] - [ 0.0005838600000000, -0.0005162200000000, -0.0000495000000000 ] - [ 0.0006501600000000, -0.0005188900000000, -0.0001478000000000 ] - [ -0.0003074600000000, -0.0005508400000000, -0.0001566300000000 ] - [ 0.0006000900000000, 0.0004123800000000, 0.0001075600000000 ] - [ -0.0006712000000000, -0.0003932600000000, 0.0000236700000000 ] - [ 0.0005404700000000, 0.0003915100000000, 0.0001515500000000 ] - [ -0.0128764400000000, -0.0139422500000000, -0.0115251100000000 ] - [ -0.0006810100000000, -0.0005270100000000, 0.0009761500000000 ] - [ -0.0001689100000000, 0.0003200400000000, 0.0000927000000000 ] - [ 0.0007165800000000, -0.0006919700000000, 0.0007216000000000 ] - [ -0.0000895500000000, 0.0001169000000000, 0.0001088900000000 ] - [ 0.0006419400000000, -0.0001859700000000, 0.0001431000000000 ] - [ 0.0002039000000000, 0.0011291800000000, -0.0011811100000000 ] - [ -0.0003415500000000, 0.0002934800000000, -0.0000152300000000 ] - [ -0.0174989200000000, 0.0115865000000000, -0.0109565600000000 ] - [ -0.0001218400000000, -0.0008175600000000, -0.0002343800000000 ] - [ 0.0000621600000000, -0.0002489400000000, -0.0000327800000000 ] - [ 0.0001203700000000, 0.0000086300000000, 0.0001448400000000 ] - [ -0.0000031100000000, -0.0000050600000000, -0.0001881900000000 ] - [ 0.0001533000000000, -0.0000710400000000, 0.0001710200000000 ] - [ -0.0005288700000000, -0.0007527100000000, 0.0003352600000000 ] - [ -0.0012521700000000, -0.0009304800000000, 0.0003455000000000 ] - [ 0.0001374700000000, -0.0001641500000000, 0.0003669700000000 ] - [ 0.0002172900000000, -0.0003675500000000, -0.0002928700000000 ] - [ -0.0000059000000000, -0.0000083400000000, -0.0001950900000000 ] - [ -0.0011164500000000, -0.0007501200000000, 0.0011396900000000 ] - [ 0.0003932500000000, 0.0005348100000000, 0.0000634400000000 ] - [ -0.0004226500000000, -0.0005291800000000, 0.0000437700000000 ] - [ 0.0005323200000000, 0.0004380800000000, -0.0000092000000000 ] - [ -0.0005080300000000, -0.0004404500000000, -0.0000077900000000 ] - [ 0.0005232100000000, -0.0005316900000000, 0.0000502300000000 ] - [ -0.0002086500000000, 0.0006458500000000, -0.0001233300000000 ] - [ 0.0004942800000000, -0.0005696600000000, -0.0000655100000000 ] - [ 0.0005226100000000, -0.0004213500000000, -0.0000378800000000 ] - [ -0.0009005000000000, -0.0007246600000000, 0.0005236100000000 ] - [ -0.0000063100000000, 0.0001506900000000, -0.0002559200000000 ] - [ -0.0002765800000000, -0.0005183500000000, 0.0001730300000000 ] - [ 0.0006447300000000, 0.0005552700000000, 0.0001769900000000 ] - [ -0.0003991200000000, 0.0005180100000000, 0.0000738100000000 ] - [ 0.0003996400000000, -0.0005189600000000, 0.0000805300000000 ] - [ -0.0005505700000000, 0.0004245200000000, -0.0000176000000000 ] - [ -0.0000011800000000, -0.0005091300000000, 0.0001871600000000 ] - [ -0.0003040200000000, -0.0000328000000000, 0.0000392800000000 ] - [ 0.0002583300000000, 0.0000074800000000, 0.0000224000000000 ] - [ -0.0000591800000000, 0.0002414700000000, 0.0000720000000000 ] - [ 0.0000052800000000, 0.0002763300000000, -0.0000256900000000 ] - [ 0.0003315800000000, -0.0000189100000000, 0.0000039100000000 ] - [ -0.0002547200000000, 0.0000057300000000, 0.0000321000000000 ] - [ -0.0000397800000000, -0.0002503600000000, 0.0000188500000000 ] - [ 0.0000885900000000, 0.0000520800000000, -0.0002745600000000 ] - [ -0.0091533900000000, 0.0101745700000000, 0.0125187800000000 ] - [ -0.0000366300000000, 0.0000241400000000, 0.0002364600000000 ] - [ 0.0000096600000000, -0.0000273000000000, 0.0002164300000000 ] - [ 0.0000139900000000, 0.0000336600000000, 0.0002628700000000 ] - [ -0.0000297100000000, 0.0000096600000000, 0.0002538000000000 ] - [ -0.0001149200000000, -0.0000809400000000, -0.0002914800000000 ] - [ 0.0002106300000000, 0.0000447500000000, -0.0002779300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0014071100000000, -0.0538507500000000, -0.0028840500000000 ] - [ -0.0002434100000000, -0.0004797500000000, -0.0003987900000000 ] - [ 0.0002501600000000, 0.0008931200000000, -0.0005478900000000 ] - [ 0.0006193000000000, -0.0002801600000000, -0.0006648900000000 ] - [ -0.0003895400000000, 0.0000229800000000, -0.0007485600000000 ] - [ 0.0000953800000000, 0.0006964800000000, 0.0006686400000000 ] - [ -0.0000911800000000, -0.0004337000000000, 0.0007747500000000 ] - [ -0.0027597200000000, 0.0029415600000000, -0.0016868800000000 ] - [ 0.0004629800000000, 0.0000798900000000, -0.0006015000000000 ] - [ 0.0007974100000000, -0.0006092000000000, 0.0007024500000000 ] - [ 0.0000663500000000, -0.0005713700000000, 0.0001272200000000 ] - [ -0.0004768900000000, 0.0000215000000000, 0.0006344800000000 ] - [ 0.0005471000000000, 0.0006916900000000, 0.0003030600000000 ] - [ -0.0018245900000000, 0.0018615100000000, -0.0036713200000000 ] - [ 0.0018209200000000, -0.0041709500000000, 0.0014500900000000 ] - [ -0.0005248200000000, -0.0000605900000000, -0.0006681200000000 ] - [ -0.0004817700000000, -0.0000487000000000, 0.0005898600000000 ] - [ -0.0000460700000000, -0.0004996600000000, -0.0005883900000000 ] - [ 0.0001726000000000, 0.0003616200000000, -0.0006609400000000 ] - [ 0.0011269500000000, 0.0009734800000000, -0.0009367700000000 ] - [ 0.0018234300000000, 0.0030138200000000, -0.0032310300000000 ] - [ 0.0000918500000000, -0.0001059500000000, 0.0004437800000000 ] - [ -0.0000960300000000, -0.0001867800000000, 0.0009189700000000 ] - [ 0.0004826000000000, 0.0000871300000000, 0.0005875500000000 ] - [ 0.0006380800000000, -0.0000566400000000, -0.0003511300000000 ] - [ 0.0007965200000000, 0.0011256100000000, 0.0005012200000000 ] - [ 0.0000665000000000, -0.0001029300000000, 0.0004697400000000 ] - [ -0.0004793000000000, 0.0000680200000000, 0.0006032300000000 ] - [ 0.0004910300000000, -0.0001304000000000, 0.0006171800000000 ] - [ 0.0000846800000000, -0.0004421600000000, -0.0007383400000000 ] - [ -0.0000851700000000, 0.0005198000000000, -0.0007234200000000 ] - [ -0.0008460500000000, -0.0010072600000000, -0.0006073200000000 ] - [ -0.0006611600000000, 0.0004765900000000, 0.0001097700000000 ] - [ 0.0003960200000000, 0.0002350000000000, 0.0001494100000000 ] - [ -0.0003215400000000, -0.0006265800000000, -0.0001069100000000 ] - [ 0.0007920500000000, 0.0014371200000000, 0.0009006100000000 ] - [ 0.0119376200000000, 0.0083342000000000, -0.0090394000000000 ] - [ 0.0004390100000000, -0.0005391200000000, -0.0000412200000000 ] - [ -0.0003883500000000, 0.0004537600000000, -0.0001088600000000 ] - [ 0.0005001300000000, -0.0002900300000000, 0.0001787300000000 ] - [ 0.0007168900000000, -0.0005483300000000, 0.0000834000000000 ] - [ -0.0005266300000000, -0.0005267800000000, 0.0001139000000000 ] - [ 0.0002141700000000, 0.0006915100000000, -0.0001876400000000 ] - [ -0.0004649000000000, -0.0004386600000000, 0.0000622500000000 ] - [ 0.0005219100000000, 0.0003931600000000, 0.0000289500000000 ] - [ 0.0125189200000000, 0.0188178000000000, 0.0119443300000000 ] - [ 0.0008019000000000, -0.0013975300000000, 0.0005558000000000 ] - [ -0.0006591600000000, 0.0003689500000000, -0.0002141700000000 ] - [ -0.0010904000000000, 0.0005070400000000, -0.0010131300000000 ] - [ -0.0005150300000000, -0.0001215200000000, 0.0001632100000000 ] - [ 0.0002758700000000, 0.0001824700000000, 0.0001110700000000 ] - [ -0.0002163500000000, 0.0000464600000000, 0.0005813100000000 ] - [ 0.0001477400000000, 0.0001801300000000, -0.0001253400000000 ] - [ -0.0135019100000000, 0.0113574100000000, -0.0105713100000000 ] - [ -0.0000587100000000, -0.0010175300000000, -0.0003757400000000 ] - [ -0.0000238600000000, -0.0004215100000000, 0.0000160900000000 ] - [ -0.0001183900000000, 0.0000035500000000, -0.0002647000000000 ] - [ 0.0000114000000000, -0.0000062200000000, -0.0001916400000000 ] - [ 0.0000270800000000, -0.0000802100000000, 0.0001516800000000 ] - [ -0.0007338800000000, -0.0007597900000000, 0.0005710500000000 ] - [ 0.0009369400000000, 0.0009644100000000, 0.0003604400000000 ] - [ 0.0000117900000000, 0.0002940200000000, 0.0001604300000000 ] - [ -0.0002723600000000, 0.0003664800000000, 0.0001189800000000 ] - [ 0.0000027900000000, 0.0000076100000000, -0.0001963400000000 ] - [ -0.0008146300000000, -0.0002744000000000, 0.0006552300000000 ] - [ 0.0003970200000000, 0.0005480300000000, 0.0000527000000000 ] - [ -0.0004256000000000, -0.0005213100000000, 0.0000392300000000 ] - [ 0.0005225600000000, 0.0004327400000000, -0.0000162900000000 ] - [ -0.0005156600000000, -0.0004484700000000, -0.0000081100000000 ] - [ 0.0004121000000000, -0.0005555400000000, -0.0001230800000000 ] - [ -0.0001640700000000, 0.0009644100000000, 0.0001529200000000 ] - [ 0.0004275900000000, -0.0005707200000000, 0.0000202200000000 ] - [ 0.0005206600000000, -0.0003994800000000, -0.0000544900000000 ] - [ -0.0009641400000000, -0.0008119600000000, 0.0006716500000000 ] - [ 0.0001762900000000, 0.0001499800000000, 0.0000170000000000 ] - [ -0.0002277200000000, -0.0005218900000000, 0.0000252200000000 ] - [ 0.0005289300000000, 0.0007510600000000, 0.0000383800000000 ] - [ -0.0004051900000000, 0.0005033000000000, 0.0000705500000000 ] - [ 0.0003878600000000, -0.0005238300000000, 0.0000883000000000 ] - [ -0.0005385900000000, 0.0004307000000000, -0.0000216900000000 ] - [ 0.0000050100000000, -0.0004659500000000, 0.0001347700000000 ] - [ -0.0002978100000000, 0.0000102400000000, -0.0000039300000000 ] - [ 0.0003042700000000, 0.0000112000000000, 0.0000107200000000 ] - [ -0.0000970000000000, 0.0002216600000000, 0.0001387800000000 ] - [ -0.0000398500000000, 0.0002828200000000, -0.0000767900000000 ] - [ 0.0002720200000000, -0.0000183800000000, 0.0000397400000000 ] - [ -0.0003402200000000, 0.0000274100000000, 0.0000082600000000 ] - [ -0.0000478500000000, -0.0001805600000000, 0.0000120800000000 ] - [ 0.0001208800000000, 0.0001148600000000, -0.0003478600000000 ] - [ -0.0104513500000000, 0.0124077300000000, 0.0144385500000000 ] - [ -0.0000387200000000, 0.0000291400000000, 0.0002319600000000 ] - [ 0.0000005700000000, 0.0000383000000000, 0.0002424600000000 ] - [ -0.0000137800000000, 0.0000126200000000, 0.0002544100000000 ] - [ 0.0000189400000000, -0.0000135500000000, 0.0002131400000000 ] - [ -0.0000609200000000, -0.0000971700000000, -0.0002313800000000 ] - [ -0.0000334100000000, -0.0001981100000000, -0.0002804900000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003530700000000, 0.0534789300000000, 0.0043359800000000 ] - [ 0.0000874900000000, -0.0004850700000000, -0.0008665000000000 ] - [ -0.0000954900000000, 0.0000744700000000, -0.0007210800000000 ] - [ 0.0003469300000000, 0.0001261000000000, -0.0006022800000000 ] - [ -0.0005767500000000, 0.0001330400000000, -0.0005184700000000 ] - [ -0.0002516200000000, 0.0002710000000000, 0.0005975100000000 ] - [ 0.0002477300000000, -0.0005295800000000, 0.0004923000000000 ] - [ 0.0037352500000000, -0.0027941600000000, 0.0029451900000000 ] - [ 0.0005033600000000, 0.0000771500000000, -0.0006657500000000 ] - [ -0.0006422900000000, 0.0015759300000000, 0.0005644400000000 ] - [ -0.0002216200000000, -0.0003934200000000, 0.0011391800000000 ] - [ -0.0004911000000000, 0.0001372000000000, 0.0006319300000000 ] - [ 0.0004164800000000, -0.0008452500000000, 0.0009634000000000 ] - [ 0.0019720500000000, -0.0028318800000000, 0.0024135300000000 ] - [ -0.0019757700000000, 0.0051303600000000, -0.0027156900000000 ] - [ -0.0004412800000000, -0.0000928600000000, -0.0005994800000000 ] - [ -0.0004840000000000, -0.0001056800000000, 0.0006773600000000 ] - [ -0.0001086200000000, -0.0004655800000000, -0.0006788400000000 ] - [ -0.0000171400000000, 0.0006058100000000, -0.0006068100000000 ] - [ -0.0001595200000000, -0.0011243100000000, -0.0003321500000000 ] - [ -0.0027985500000000, -0.0028496900000000, 0.0019573100000000 ] - [ -0.0002475400000000, 0.0010745800000000, 0.0008217200000000 ] - [ 0.0002510700000000, -0.0007785200000000, 0.0003472200000000 ] - [ 0.0004830400000000, 0.0000696300000000, 0.0006792300000000 ] - [ 0.0003273800000000, 0.0002132300000000, -0.0009169900000000 ] - [ -0.0006428400000000, -0.0001582800000000, 0.0007668200000000 ] - [ -0.0002218200000000, -0.0008610100000000, 0.0007960100000000 ] - [ -0.0004874300000000, 0.0000887100000000, 0.0006632300000000 ] - [ 0.0004747400000000, -0.0000233000000000, 0.0006495200000000 ] - [ 0.0000698500000000, -0.0005222400000000, -0.0005288400000000 ] - [ -0.0000701000000000, 0.0004484700000000, -0.0005436400000000 ] - [ -0.0001208900000000, 0.0008545500000000, -0.0006607200000000 ] - [ -0.0003842600000000, 0.0003603000000000, -0.0000241100000000 ] - [ 0.0004405200000000, 0.0008135100000000, -0.0000642400000000 ] - [ -0.0005128800000000, -0.0004190000000000, 0.0001925700000000 ] - [ 0.0002540100000000, -0.0005996400000000, -0.0009876700000000 ] - [ -0.0132717300000000, -0.0092525200000000, 0.0092057700000000 ] - [ 0.0003966300000000, -0.0005052400000000, -0.0000439600000000 ] - [ -0.0004462200000000, 0.0005941500000000, 0.0000220800000000 ] - [ 0.0005463500000000, -0.0005421400000000, -0.0000920200000000 ] - [ 0.0003307000000000, -0.0002871700000000, -0.0001692500000000 ] - [ -0.0003102000000000, -0.0005181600000000, -0.0001980000000000 ] - [ 0.0006213700000000, 0.0003556700000000, 0.0001018000000000 ] - [ -0.0005820400000000, -0.0003959500000000, 0.0000229200000000 ] - [ 0.0005231700000000, 0.0004434500000000, 0.0000563800000000 ] - [ -0.0129675900000000, -0.0175589700000000, -0.0114955500000000 ] - [ 0.0000331400000000, 0.0003538400000000, -0.0004716700000000 ] - [ -0.0003865600000000, 0.0004666700000000, 0.0001285100000000 ] - [ 0.0010885500000000, -0.0010944100000000, 0.0010104400000000 ] - [ -0.0000725900000000, 0.0001246500000000, -0.0001642800000000 ] - [ 0.0003122500000000, -0.0001808200000000, -0.0001103900000000 ] - [ 0.0002177000000000, 0.0005394000000000, -0.0005790400000000 ] - [ -0.0001493800000000, 0.0004101000000000, 0.0001232300000000 ] - [ 0.0137322200000000, -0.0111534900000000, 0.0102203600000000 ] - [ -0.0005268100000000, 0.0010154500000000, 0.0003770000000000 ] - [ 0.0000229500000000, -0.0001661300000000, -0.0000154800000000 ] - [ 0.0001196200000000, -0.0000010500000000, -0.0001601100000000 ] - [ -0.0000107500000000, 0.0000073800000000, -0.0002345600000000 ] - [ -0.0000259000000000, 0.0000804400000000, 0.0002741300000000 ] - [ 0.0007319900000000, 0.0007587700000000, -0.0001422900000000 ] - [ -0.0009376500000000, -0.0009619000000000, 0.0000656200000000 ] - [ -0.0000102300000000, -0.0002939300000000, 0.0002668100000000 ] - [ 0.0002719600000000, -0.0003631900000000, -0.0005472800000000 ] - [ -0.0000033700000000, -0.0000067300000000, -0.0002296900000000 ] - [ -0.0002298000000000, 0.0011150600000000, -0.0005736200000000 ] - [ 0.0004378900000000, 0.0004996300000000, 0.0000326800000000 ] - [ -0.0004094500000000, -0.0005224100000000, 0.0000466900000000 ] - [ 0.0005228800000000, 0.0004045500000000, -0.0000694300000000 ] - [ -0.0005299800000000, -0.0003863400000000, -0.0000766200000000 ] - [ 0.0004241300000000, -0.0004893200000000, 0.0000383100000000 ] - [ -0.0006696900000000, 0.0000832800000000, -0.0002391300000000 ] - [ 0.0006188900000000, -0.0002641100000000, 0.0000644500000000 ] - [ 0.0005246300000000, -0.0004354800000000, -0.0000304300000000 ] - [ 0.0001281200000000, -0.0002340400000000, -0.0007559500000000 ] - [ 0.0006577500000000, 0.0008972100000000, -0.0001034000000000 ] - [ -0.0008209500000000, -0.0003120100000000, 0.0000611200000000 ] - [ 0.0005172600000000, 0.0000853700000000, 0.0000478100000000 ] - [ -0.0004292700000000, 0.0005438600000000, 0.0000154200000000 ] - [ 0.0004471500000000, -0.0005198900000000, -0.0000028000000000 ] - [ -0.0005072900000000, 0.0004056200000000, -0.0000646900000000 ] - [ -0.0000056200000000, -0.0001216400000000, -0.0001363000000000 ] - [ -0.0002917500000000, -0.0000082300000000, 0.0000031300000000 ] - [ 0.0002843800000000, -0.0000087200000000, -0.0000100800000000 ] - [ 0.0000973700000000, 0.0003692800000000, -0.0001396700000000 ] - [ 0.0000386500000000, 0.0003084400000000, 0.0000754900000000 ] - [ 0.0003170600000000, 0.0000213700000000, -0.0000414900000000 ] - [ -0.0002495800000000, -0.0000264000000000, -0.0000090500000000 ] - [ 0.0000468900000000, -0.0004076400000000, -0.0000113000000000 ] - [ -0.0001200200000000, -0.0001125900000000, -0.0000785300000000 ] - [ 0.0108123700000000, -0.0126409400000000, -0.0152833300000000 ] - [ 0.0000393500000000, -0.0000285500000000, 0.0001935100000000 ] - [ -0.0000007000000000, -0.0000369400000000, 0.0001823200000000 ] - [ 0.0000134900000000, -0.0000113200000000, 0.0001704500000000 ] - [ -0.0000182200000000, 0.0000134000000000, 0.0002128800000000 ] - [ 0.0000615400000000, 0.0000981800000000, -0.0001951400000000 ] - [ 0.0000334900000000, 0.0001996100000000, -0.0001460300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0006438300000000, -0.0036151100000000, -0.0540671100000000 ] - [ -0.0003129400000000, -0.0000996400000000, -0.0013681200000000 ] - [ 0.0001630700000000, 0.0005981200000000, -0.0005672000000000 ] - [ 0.0005157800000000, -0.0000465200000000, -0.0001453600000000 ] - [ -0.0004585200000000, -0.0000384000000000, -0.0001688200000000 ] - [ 0.0002075300000000, 0.0005900400000000, 0.0008775000000000 ] - [ 0.0002661000000000, -0.0003254500000000, 0.0010894000000000 ] - [ -0.0016463400000000, 0.0023918600000000, -0.0045825500000000 ] - [ 0.0006114100000000, 0.0001092500000000, -0.0002053000000000 ] - [ 0.0002083100000000, 0.0003596100000000, 0.0011656400000000 ] - [ -0.0002413200000000, -0.0004683100000000, 0.0011653700000000 ] - [ -0.0001714300000000, 0.0000758800000000, -0.0006010900000000 ] - [ 0.0005547100000000, -0.0004074400000000, -0.0004105500000000 ] - [ 0.0021556800000000, -0.0038806700000000, 0.0013286300000000 ] - [ 0.0029684600000000, -0.0019784300000000, 0.0013281600000000 ] - [ -0.0005261800000000, -0.0000434000000000, -0.0001607300000000 ] - [ -0.0004418900000000, -0.0001214100000000, 0.0010869600000000 ] - [ -0.0001235000000000, -0.0004648300000000, -0.0002148400000000 ] - [ 0.0000493200000000, 0.0005239000000000, -0.0001729600000000 ] - [ 0.0005183000000000, 0.0002254200000000, -0.0004495000000000 ] - [ -0.0025125900000000, -0.0025145300000000, 0.0015913100000000 ] - [ 0.0000622600000000, 0.0002498200000000, 0.0010887100000000 ] - [ 0.0000401800000000, -0.0002082400000000, 0.0008776900000000 ] - [ 0.0004301900000000, 0.0001220800000000, 0.0011008500000000 ] - [ 0.0007486000000000, 0.0003593500000000, -0.0012850000000000 ] - [ 0.0000062900000000, 0.0002819400000000, 0.0011677400000000 ] - [ -0.0005833900000000, -0.0009578700000000, 0.0011650300000000 ] - [ -0.0004471600000000, 0.0001066500000000, 0.0010987100000000 ] - [ 0.0004383800000000, -0.0000938000000000, 0.0010938500000000 ] - [ -0.0000136100000000, -0.0005976600000000, -0.0001665800000000 ] - [ 0.0000264600000000, 0.0005661800000000, -0.0001663300000000 ] - [ -0.0004075500000000, -0.0001042000000000, -0.0013051800000000 ] - [ -0.0005333000000000, 0.0006365200000000, -0.0002394900000000 ] - [ 0.0000927100000000, 0.0005473300000000, 0.0002976300000000 ] - [ -0.0003441900000000, -0.0005281600000000, 0.0005447800000000 ] - [ 0.0004677600000000, 0.0015294100000000, 0.0012679400000000 ] - [ -0.0142559200000000, -0.0096959900000000, 0.0103331900000000 ] - [ 0.0002599800000000, -0.0005658100000000, -0.0002156900000000 ] - [ -0.0003219800000000, 0.0005042700000000, -0.0002316700000000 ] - [ 0.0005697600000000, -0.0005616000000000, -0.0001389000000000 ] - [ 0.0004812100000000, -0.0005660900000000, 0.0004347400000000 ] - [ -0.0002997200000000, -0.0004837700000000, -0.0002432800000000 ] - [ 0.0002255900000000, 0.0005168000000000, -0.0003438600000000 ] - [ -0.0005529700000000, -0.0005787200000000, -0.0002315500000000 ] - [ 0.0004844400000000, 0.0004892800000000, -0.0001037300000000 ] - [ 0.0118600300000000, 0.0143461800000000, 0.0119222300000000 ] - [ -0.0006843800000000, -0.0002629300000000, 0.0013923900000000 ] - [ -0.0007410500000000, 0.0005442100000000, 0.0000380600000000 ] - [ -0.0005126200000000, -0.0000233400000000, -0.0003865900000000 ] - [ -0.0002843900000000, -0.0001076700000000, 0.0004866500000000 ] - [ 0.0002485500000000, 0.0003236300000000, 0.0003866800000000 ] - [ 0.0001722500000000, 0.0006938300000000, -0.0005546900000000 ] - [ 0.0000215800000000, -0.0000223300000000, 0.0000935900000000 ] - [ 0.0129163500000000, -0.0103261900000000, 0.0103424700000000 ] - [ 0.0006036500000000, -0.0009335300000000, 0.0001754900000000 ] - [ -0.0000558100000000, -0.0003240100000000, 0.0000274300000000 ] - [ -0.0002052900000000, -0.0000157800000000, -0.0003592900000000 ] - [ 0.0000014700000000, -0.0000027000000000, -0.0004293200000000 ] - [ -0.0000111600000000, -0.0000267700000000, 0.0003617500000000 ] - [ 0.0003856600000000, 0.0006191100000000, 0.0002360000000000 ] - [ -0.0004679800000000, 0.0005089500000000, -0.0004206100000000 ] - [ -0.0001396100000000, -0.0001493600000000, 0.0004676000000000 ] - [ -0.0000046100000000, -0.0001157000000000, -0.0003872800000000 ] - [ 0.0000008400000000, -0.0000010700000000, -0.0004355700000000 ] - [ -0.0003711000000000, 0.0008875900000000, -0.0004172600000000 ] - [ 0.0005582600000000, 0.0005263500000000, -0.0001754400000000 ] - [ -0.0005478400000000, -0.0005376200000000, -0.0001667900000000 ] - [ 0.0005051400000000, 0.0002672500000000, -0.0002589900000000 ] - [ -0.0005129100000000, -0.0002637900000000, -0.0002614000000000 ] - [ 0.0004182300000000, -0.0005810000000000, 0.0000175300000000 ] - [ -0.0005664600000000, 0.0004363600000000, 0.0000605300000000 ] - [ 0.0006294300000000, -0.0003843300000000, 0.0000129900000000 ] - [ 0.0005233100000000, -0.0002889700000000, -0.0002521700000000 ] - [ 0.0001953900000000, -0.0000908700000000, -0.0005058300000000 ] - [ 0.0003063600000000, 0.0004360400000000, -0.0000104900000000 ] - [ -0.0003759800000000, -0.0005036300000000, 0.0001974400000000 ] - [ 0.0002349200000000, 0.0004017500000000, 0.0001183800000000 ] - [ -0.0005660000000000, 0.0005293800000000, -0.0001735800000000 ] - [ 0.0005761600000000, -0.0005247000000000, -0.0001874300000000 ] - [ -0.0005134400000000, 0.0002740200000000, -0.0002727100000000 ] - [ -0.0002398300000000, -0.0002224600000000, -0.0003412300000000 ] - [ -0.0003013600000000, 0.0001622600000000, -0.0002281000000000 ] - [ 0.0002846700000000, -0.0001822500000000, -0.0002412500000000 ] - [ 0.0002990600000000, 0.0003712300000000, -0.0003348600000000 ] - [ -0.0001045800000000, 0.0002764300000000, -0.0001461600000000 ] - [ 0.0002851100000000, 0.0001954900000000, -0.0002531900000000 ] - [ -0.0002965900000000, -0.0001958000000000, -0.0002718200000000 ] - [ 0.0001298800000000, -0.0003073500000000, -0.0001869900000000 ] - [ -0.0000542600000000, -0.0000460200000000, -0.0004422200000000 ] - [ -0.0112241400000000, 0.0126983600000000, 0.0195582400000000 ] - [ 0.0000230200000000, -0.0000193500000000, 0.0000141600000000 ] - [ -0.0000033300000000, 0.0000096700000000, -0.0000082400000000 ] - [ -0.0000004600000000, -0.0000131700000000, 0.0000232500000000 ] - [ -0.0000140200000000, 0.0000028600000000, -0.0000005100000000 ] - [ 0.0000586600000000, 0.0000475300000000, -0.0005122500000000 ] - [ -0.0001529200000000, 0.0000765400000000, 0.0003709600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002639500000000, 0.0036238600000000, 0.0554851100000000 ] - [ 0.0001567200000000, -0.0008690200000000, 0.0001017800000000 ] - [ -0.0000112400000000, 0.0003702400000000, -0.0006992600000000 ] - [ 0.0004513000000000, -0.0001075800000000, -0.0011211100000000 ] - [ -0.0005121000000000, 0.0001905400000000, -0.0010976000000000 ] - [ -0.0003630300000000, 0.0003774300000000, 0.0003880000000000 ] - [ -0.0001121300000000, -0.0006429400000000, 0.0001769400000000 ] - [ 0.0026153100000000, -0.0022410800000000, 0.0058566600000000 ] - [ 0.0003563800000000, 0.0000437100000000, -0.0010609900000000 ] - [ -0.0000576200000000, 0.0006094300000000, 0.0000979300000000 ] - [ 0.0000864600000000, -0.0005021100000000, 0.0000984100000000 ] - [ -0.0008001800000000, 0.0000773900000000, 0.0018663200000000 ] - [ 0.0004115400000000, 0.0002536600000000, 0.0016758500000000 ] - [ -0.0020115000000000, 0.0029019400000000, -0.0025870900000000 ] - [ -0.0031139000000000, 0.0029541800000000, -0.0025872200000000 ] - [ -0.0004444100000000, -0.0001103000000000, -0.0011052500000000 ] - [ -0.0005295700000000, -0.0000324500000000, 0.0001782700000000 ] - [ -0.0000311300000000, -0.0005050600000000, -0.0010513200000000 ] - [ 0.0001022500000000, 0.0004437900000000, -0.0010928200000000 ] - [ 0.0004486100000000, -0.0003782400000000, -0.0008180800000000 ] - [ 0.0015339600000000, 0.0026733300000000, -0.0028636700000000 ] - [ -0.0002186700000000, 0.0007200300000000, 0.0001761000000000 ] - [ 0.0001108200000000, -0.0007607300000000, 0.0003881100000000 ] - [ 0.0005376400000000, 0.0000294000000000, 0.0001643100000000 ] - [ 0.0002178400000000, -0.0002077800000000, 0.0000187500000000 ] - [ 0.0001442000000000, 0.0006859400000000, 0.0000999300000000 ] - [ 0.0004296600000000, -0.0000104300000000, 0.0000985700000000 ] - [ -0.0005235300000000, 0.0000459700000000, 0.0001670900000000 ] - [ 0.0005290300000000, -0.0000601700000000, 0.0001715000000000 ] - [ 0.0001651600000000, -0.0003719300000000, -0.0010996000000000 ] - [ -0.0001813400000000, 0.0004022100000000, -0.0010994700000000 ] - [ -0.0005636500000000, -0.0000493900000000, 0.0000367000000000 ] - [ -0.0005116700000000, 0.0001980500000000, 0.0003249700000000 ] - [ 0.0007410200000000, 0.0004958700000000, -0.0002118100000000 ] - [ -0.0004931100000000, -0.0005171000000000, -0.0004607800000000 ] - [ 0.0005723000000000, -0.0006932300000000, -0.0013544000000000 ] - [ 0.0128628200000000, 0.0085751400000000, -0.0102797800000000 ] - [ 0.0005727800000000, -0.0004788100000000, 0.0001290100000000 ] - [ -0.0005164900000000, 0.0005383600000000, 0.0001459500000000 ] - [ 0.0004715600000000, -0.0002746100000000, 0.0002240500000000 ] - [ 0.0005618900000000, -0.0002713300000000, -0.0005214500000000 ] - [ -0.0005369000000000, -0.0005597000000000, 0.0001574400000000 ] - [ 0.0006093200000000, 0.0005250600000000, 0.0002587100000000 ] - [ -0.0004916400000000, -0.0002581400000000, 0.0003170300000000 ] - [ 0.0005581000000000, 0.0003447900000000, 0.0001894600000000 ] - [ -0.0123325600000000, -0.0129637800000000, -0.0116727100000000 ] - [ 0.0015175200000000, -0.0007798100000000, -0.0013086200000000 ] - [ -0.0003042800000000, 0.0002883100000000, -0.0001249300000000 ] - [ 0.0005137700000000, -0.0005726100000000, 0.0003887200000000 ] - [ -0.0003063400000000, 0.0001066500000000, -0.0004855000000000 ] - [ 0.0003402600000000, -0.0003242200000000, -0.0003854100000000 ] - [ -0.0001737400000000, -0.0001062900000000, 0.0005577000000000 ] - [ -0.0000233400000000, 0.0006099700000000, -0.0000950900000000 ] - [ -0.0126356200000000, 0.0106471700000000, -0.0104805300000000 ] - [ -0.0011978500000000, 0.0009339600000000, -0.0001751000000000 ] - [ 0.0000548300000000, -0.0002670600000000, -0.0000281900000000 ] - [ 0.0002032200000000, 0.0000145200000000, -0.0000635400000000 ] - [ -0.0000031700000000, 0.0000022900000000, 0.0000079100000000 ] - [ 0.0000095300000000, 0.0000256800000000, 0.0000616800000000 ] - [ -0.0003869200000000, -0.0006208800000000, 0.0001878100000000 ] - [ 0.0004657800000000, -0.0005084900000000, 0.0008407700000000 ] - [ 0.0001381600000000, 0.0001488000000000, -0.0000423200000000 ] - [ 0.0000029300000000, 0.0001153000000000, -0.0000343700000000 ] - [ -0.0000020900000000, 0.0000004800000000, 0.0000123100000000 ] - [ -0.0006717100000000, -0.0000486300000000, 0.0004980300000000 ] - [ 0.0002756300000000, 0.0005155300000000, 0.0002604400000000 ] - [ -0.0002888600000000, -0.0005068200000000, 0.0002524900000000 ] - [ 0.0005355900000000, 0.0005669400000000, 0.0001724200000000 ] - [ -0.0005309200000000, -0.0005712500000000, 0.0001742800000000 ] - [ 0.0004149100000000, -0.0004645300000000, -0.0001041200000000 ] - [ -0.0002723400000000, 0.0006062600000000, -0.0001459500000000 ] - [ 0.0004109800000000, -0.0004528400000000, 0.0000721600000000 ] - [ 0.0005177500000000, -0.0005474000000000, 0.0001654400000000 ] - [ -0.0010324600000000, -0.0009550700000000, 0.0004202400000000 ] - [ 0.0005270500000000, 0.0006037300000000, -0.0000759800000000 ] - [ -0.0006684200000000, -0.0003331700000000, -0.0001113200000000 ] - [ 0.0008111900000000, 0.0004320600000000, -0.0000316900000000 ] - [ -0.0002717300000000, 0.0005112000000000, 0.0002579900000000 ] - [ 0.0002585500000000, -0.0005189900000000, 0.0002717000000000 ] - [ -0.0005317300000000, 0.0005605300000000, 0.0001866500000000 ] - [ 0.0002379500000000, -0.0003701500000000, 0.0003399200000000 ] - [ -0.0002909200000000, -0.0001639100000000, 0.0002284200000000 ] - [ 0.0003047500000000, 0.0001804800000000, 0.0002401000000000 ] - [ -0.0003016700000000, 0.0002189700000000, 0.0003352100000000 ] - [ 0.0001023100000000, 0.0003136600000000, 0.0001452300000000 ] - [ 0.0003053300000000, -0.0001972800000000, 0.0002536600000000 ] - [ -0.0002968400000000, 0.0001955100000000, 0.0002721000000000 ] - [ -0.0001304900000000, -0.0002843900000000, 0.0001860900000000 ] - [ 0.0000525700000000, 0.0000442700000000, 0.0000172600000000 ] - [ 0.0116152800000000, -0.0131511000000000, -0.0202801600000000 ] - [ -0.0000246200000000, 0.0000182200000000, 0.0004084400000000 ] - [ 0.0000018000000000, -0.0000105500000000, 0.0004308400000000 ] - [ -0.0000007000000000, 0.0000126100000000, 0.0003991800000000 ] - [ 0.0000113900000000, -0.0000035500000000, 0.0004232500000000 ] - [ -0.0000595900000000, -0.0000494700000000, 0.0000900500000000 ] - [ 0.0001509300000000, -0.0000790600000000, -0.0007943000000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0006151000000000, -0.0002183700000000, 0.0006256600000000 ] - [ -0.0001101400000000, -0.0004766500000000, -0.0005766600000000 ] - [ 0.0005199800000000, 0.0003633900000000, -0.0007197200000000 ] - [ -0.0002682300000000, -0.0003473900000000, -0.0006880100000000 ] - [ 0.0200946800000000, -0.0127618800000000, 0.0131790900000000 ] - [ -0.0001826100000000, 0.0002971900000000, 0.0006315100000000 ] - [ -0.0002087900000000, -0.0003766600000000, 0.0006126900000000 ] - [ 0.0004241900000000, 0.0000546600000000, 0.0005868500000000 ] - [ 0.0003585500000000, 0.0002707700000000, -0.0006759500000000 ] - [ 0.0183822100000000, 0.0153646200000000, -0.0132222600000000 ] - [ -0.0009501000000000, -0.0004814700000000, 0.0008939700000000 ] - [ -0.0003374800000000, 0.0000195800000000, 0.0006052600000000 ] - [ 0.0004686500000000, -0.0000773400000000, 0.0006725800000000 ] - [ -0.0002923900000000, -0.0008541600000000, -0.0007181100000000 ] - [ -0.0003707000000000, 0.0002807900000000, -0.0010669800000000 ] - [ -0.0008371700000000, -0.0002135600000000, -0.0004219000000000 ] - [ 0.0001111300000000, -0.0003731600000000, 0.0007881000000000 ] - [ -0.0000943900000000, -0.0004614700000000, -0.0005921000000000 ] - [ 0.0000093600000000, 0.0003832900000000, -0.0006539500000000 ] - [ 0.0004767800000000, -0.0000780700000000, -0.0006508400000000 ] - [ -0.0004995100000000, 0.0000708800000000, -0.0006451900000000 ] - [ -0.0000770800000000, 0.0004789600000000, 0.0006200500000000 ] - [ 0.0001050600000000, -0.0004738900000000, 0.0006298600000000 ] - [ 0.0005149400000000, -0.0000174500000000, 0.0005261600000000 ] - [ 0.0004863700000000, 0.0000770300000000, -0.0006329100000000 ] - [ 0.0000588000000000, 0.0004905700000000, 0.0006273400000000 ] - [ -0.0000803200000000, -0.0004894000000000, 0.0006329900000000 ] - [ -0.0007307800000000, -0.0002133400000000, 0.0007793400000000 ] - [ 0.0003638900000000, -0.0000859300000000, 0.0009203600000000 ] - [ 0.0002479200000000, -0.0005968500000000, -0.0006397100000000 ] - [ -0.0000816700000000, 0.0004583400000000, -0.0006741100000000 ] - [ -0.0004560000000000, -0.0000941300000000, -0.0006441600000000 ] - [ -0.0513372400000000, -0.0017745600000000, -0.0001565100000000 ] - [ 0.0003800000000000, 0.0005090200000000, 0.0000783600000000 ] - [ -0.0004811200000000, -0.0005390300000000, 0.0000320600000000 ] - [ 0.0005628900000000, 0.0004784300000000, 0.0000490600000000 ] - [ -0.0002747900000000, -0.0003617300000000, 0.0000288800000000 ] - [ 0.0004761000000000, -0.0006048900000000, 0.0001069000000000 ] - [ 0.0003325200000000, 0.0013101400000000, -0.0004183700000000 ] - [ 0.0007823100000000, -0.0003797700000000, 0.0000334700000000 ] - [ 0.0005308300000000, -0.0004086600000000, -0.0000726100000000 ] - [ 0.0027745800000000, -0.0036523900000000, -0.0001492000000000 ] - [ 0.0025997600000000, 0.0036485400000000, -0.0000300000000000 ] - [ -0.0001549100000000, -0.0003847800000000, 0.0000219300000000 ] - [ 0.0005585500000000, 0.0004178400000000, 0.0000318500000000 ] - [ -0.0003213500000000, 0.0005622500000000, 0.0001299900000000 ] - [ 0.0004651600000000, -0.0004884800000000, 0.0000340500000000 ] - [ -0.0006422900000000, 0.0004440900000000, 0.0000452500000000 ] - [ 0.0004303400000000, -0.0014163600000000, 0.0013882300000000 ] - [ -0.0003033800000000, 0.0000020800000000, -0.0000029600000000 ] - [ 0.0002693200000000, 0.0000193700000000, 0.0000127100000000 ] - [ 0.0002377100000000, 0.0003466500000000, -0.0001499400000000 ] - [ 0.0000297100000000, 0.0003110400000000, 0.0000350600000000 ] - [ 0.0003245000000000, 0.0000083200000000, 0.0000112900000000 ] - [ -0.0002816500000000, 0.0000114100000000, 0.0000171000000000 ] - [ -0.0002304200000000, -0.0002818600000000, -0.0000235000000000 ] - [ 0.0000863300000000, 0.0000286800000000, -0.0002220600000000 ] - [ -0.0001118000000000, 0.0001318400000000, -0.0001714700000000 ] - [ -0.0000817700000000, 0.0000408100000000, 0.0001634800000000 ] - [ 0.0000006300000000, 0.0000057400000000, 0.0002184900000000 ] - [ 0.0008061200000000, 0.0002622400000000, 0.0009457300000000 ] - [ -0.0000009700000000, 0.0000061600000000, 0.0002219100000000 ] - [ 0.0025288900000000, 0.0001292900000000, -0.0033180600000000 ] - [ 0.0008249700000000, 0.0003462900000000, -0.0010423300000000 ] - [ -0.0005129300000000, 0.0004168300000000, 0.0000462600000000 ] - [ 0.0004720900000000, 0.0005382700000000, 0.0000000000000000 ] - [ -0.0003932700000000, -0.0005096900000000, 0.0000308300000000 ] - [ 0.0005307700000000, 0.0004500000000000, 0.0000020800000000 ] - [ -0.0006386100000000, -0.0002804100000000, -0.0001708300000000 ] - [ 0.0004146000000000, -0.0005256500000000, -0.0000436500000000 ] - [ -0.0004226000000000, 0.0005267000000000, -0.0000359700000000 ] - [ 0.0005208100000000, -0.0004132700000000, 0.0000481900000000 ] - [ 0.0005409700000000, -0.0004073400000000, -0.0000931700000000 ] - [ -0.0004173300000000, -0.0005186400000000, -0.0000403800000000 ] - [ 0.0004256400000000, 0.0005185200000000, -0.0000367500000000 ] - [ -0.0005285100000000, -0.0004123900000000, 0.0000473800000000 ] - [ 0.0005221000000000, 0.0004167900000000, 0.0000462300000000 ] - [ -0.0004720800000000, 0.0005607700000000, -0.0000202600000000 ] - [ 0.0003362000000000, -0.0004869000000000, 0.0000943100000000 ] - [ -0.0002717900000000, 0.0004514200000000, -0.0001449600000000 ] - [ 0.0000057100000000, -0.0002898200000000, 0.0000080400000000 ] - [ -0.0001892400000000, -0.0001794900000000, -0.0001807600000000 ] - [ 0.0004003100000000, 0.0000643400000000, -0.0000597100000000 ] - [ -0.0000127100000000, 0.0003263500000000, -0.0000106100000000 ] - [ -0.0000081900000000, 0.0002963200000000, -0.0000096000000000 ] - [ 0.0000336900000000, 0.0007426600000000, -0.0006747000000000 ] - [ -0.0002668900000000, 0.0001439100000000, 0.0001143700000000 ] - [ 0.0000035800000000, -0.0002892600000000, 0.0000015000000000 ] - [ -0.0000023500000000, -0.0000035900000000, -0.0002142900000000 ] - [ 0.0000387700000000, 0.0000004500000000, -0.0002262300000000 ] - [ 0.0000382600000000, -0.0000088700000000, 0.0002352900000000 ] - [ 0.0026219700000000, 0.0002542100000000, 0.0033480700000000 ] - [ -0.0000216600000000, 0.0000041500000000, 0.0002369500000000 ] - [ 0.0000617700000000, -0.0000176600000000, 0.0001862300000000 ] - [ 0.0000034300000000, -0.0000064300000000, -0.0002108200000000 ] - [ -0.0000221200000000, -0.0000089100000000, -0.0002310900000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003561300000000, 0.0000633300000000, 0.0006408600000000 ] - [ -0.0000412300000000, -0.0004923600000000, -0.0006883800000000 ] - [ -0.0003664100000000, 0.0006074200000000, -0.0005450200000000 ] - [ 0.0012441600000000, 0.0001957500000000, -0.0005774500000000 ] - [ -0.0206600500000000, 0.0124456200000000, -0.0139347700000000 ] - [ 0.0000262000000000, 0.0006754000000000, 0.0006371500000000 ] - [ 0.0003633900000000, -0.0005938400000000, 0.0006584900000000 ] - [ 0.0005439600000000, 0.0000971700000000, 0.0006791900000000 ] - [ 0.0006084600000000, -0.0001201200000000, -0.0005911400000000 ] - [ -0.0180026900000000, -0.0139607600000000, 0.0140812400000000 ] - [ 0.0008041100000000, -0.0004895200000000, 0.0003703200000000 ] - [ -0.0006320000000000, 0.0001333400000000, 0.0006595200000000 ] - [ 0.0005011400000000, -0.0000751300000000, 0.0005931000000000 ] - [ 0.0004495400000000, -0.0001067200000000, -0.0005447200000000 ] - [ 0.0002094300000000, 0.0006808100000000, -0.0001986800000000 ] - [ -0.0001286200000000, 0.0000635200000000, -0.0008523900000000 ] - [ -0.0010731300000000, 0.0002155700000000, 0.0004817200000000 ] - [ -0.0000586700000000, -0.0005078400000000, -0.0006738100000000 ] - [ 0.0001431800000000, 0.0005859600000000, -0.0006132600000000 ] - [ 0.0004931900000000, -0.0000745100000000, -0.0006146500000000 ] - [ -0.0004702400000000, 0.0000816800000000, -0.0006203300000000 ] - [ -0.0000754300000000, 0.0004901200000000, 0.0006453600000000 ] - [ 0.0000486200000000, -0.0004951100000000, 0.0006358500000000 ] - [ 0.0004553700000000, 0.0001697600000000, 0.0007401600000000 ] - [ 0.0004831500000000, 0.0000765400000000, -0.0006328700000000 ] - [ 0.0000938500000000, 0.0004790200000000, 0.0006383300000000 ] - [ -0.0000728200000000, -0.0004807200000000, 0.0006326100000000 ] - [ -0.0002361800000000, 0.0003751300000000, 0.0004818900000000 ] - [ 0.0006032800000000, -0.0000692100000000, 0.0003408100000000 ] - [ -0.0000940500000000, -0.0003735300000000, -0.0006252100000000 ] - [ -0.0000704700000000, 0.0005109000000000, -0.0005913000000000 ] - [ -0.0005128800000000, -0.0000588700000000, -0.0006215900000000 ] - [ 0.0496002500000000, 0.0026577000000000, 0.0001441900000000 ] - [ 0.0004554200000000, 0.0005381700000000, 0.0000071100000000 ] - [ -0.0003555500000000, -0.0005071500000000, 0.0000523500000000 ] - [ 0.0004846300000000, 0.0003589100000000, -0.0001338500000000 ] - [ -0.0007746900000000, -0.0004712900000000, -0.0001189900000000 ] - [ 0.0003573700000000, -0.0004372800000000, -0.0001966900000000 ] - [ -0.0011851700000000, -0.0002868300000000, 0.0003400900000000 ] - [ 0.0002616000000000, -0.0004554800000000, 0.0000524000000000 ] - [ 0.0005159000000000, -0.0004268700000000, -0.0000130600000000 ] - [ -0.0035785400000000, 0.0025621300000000, 0.0000575800000000 ] - [ -0.0017480300000000, -0.0025662200000000, -0.0000506600000000 ] - [ -0.0008953800000000, -0.0004534000000000, 0.0000622000000000 ] - [ 0.0004898700000000, 0.0004174600000000, 0.0000537700000000 ] - [ -0.0005117300000000, 0.0004853200000000, -0.0000429500000000 ] - [ 0.0003709900000000, -0.0005593800000000, 0.0000504900000000 ] - [ -0.0004045300000000, 0.0003885700000000, -0.0001320800000000 ] - [ -0.0004145400000000, 0.0008082300000000, -0.0013650800000000 ] - [ -0.0002847200000000, -0.0000022300000000, 0.0000028100000000 ] - [ 0.0003194600000000, -0.0000177200000000, -0.0000115800000000 ] - [ -0.0002410400000000, 0.0002417800000000, 0.0001523600000000 ] - [ -0.0000305700000000, 0.0002779100000000, -0.0000363900000000 ] - [ 0.0002648200000000, -0.0000074900000000, -0.0000117300000000 ] - [ -0.0003077200000000, -0.0000124900000000, -0.0000181200000000 ] - [ 0.0002303400000000, -0.0003009800000000, 0.0000268800000000 ] - [ -0.0000864300000000, -0.0000291700000000, -0.0002053100000000 ] - [ 0.0001122300000000, -0.0001316000000000, -0.0002536100000000 ] - [ 0.0000822600000000, -0.0000413000000000, 0.0002635800000000 ] - [ -0.0000001800000000, -0.0000051400000000, 0.0002058300000000 ] - [ -0.0008237900000000, -0.0002652000000000, -0.0005430400000000 ] - [ 0.0000013100000000, -0.0000064800000000, 0.0002051700000000 ] - [ -0.0025070600000000, -0.0001330400000000, 0.0028523600000000 ] - [ -0.0008454900000000, -0.0003531500000000, 0.0006419500000000 ] - [ -0.0005328100000000, 0.0004182200000000, 0.0000400600000000 ] - [ 0.0003623800000000, 0.0005076600000000, 0.0000869400000000 ] - [ -0.0004402400000000, -0.0005382800000000, 0.0000563400000000 ] - [ 0.0005143400000000, 0.0003851800000000, -0.0000888000000000 ] - [ -0.0004082100000000, -0.0005519900000000, 0.0000825800000000 ] - [ 0.0004206400000000, -0.0005216500000000, -0.0000421800000000 ] - [ -0.0004126200000000, 0.0005209600000000, -0.0000499900000000 ] - [ 0.0005233200000000, -0.0004220900000000, 0.0000373300000000 ] - [ 0.0005058600000000, -0.0004285600000000, 0.0000083800000000 ] - [ -0.0004172500000000, -0.0005259200000000, -0.0000459200000000 ] - [ 0.0004111200000000, 0.0005264100000000, -0.0000482200000000 ] - [ -0.0005193700000000, -0.0004229000000000, 0.0000382700000000 ] - [ 0.0005250000000000, 0.0004182200000000, 0.0000396100000000 ] - [ -0.0003633100000000, 0.0004853500000000, 0.0001054200000000 ] - [ 0.0005002500000000, -0.0005585600000000, -0.0000098400000000 ] - [ -0.0007768800000000, 0.0003856900000000, 0.0000637300000000 ] - [ -0.0000058400000000, -0.0002987400000000, -0.0000086000000000 ] - [ -0.0003972700000000, 0.0001770400000000, 0.0001798800000000 ] - [ 0.0001864400000000, -0.0000648500000000, 0.0000608400000000 ] - [ 0.0000116900000000, 0.0002637900000000, 0.0000108200000000 ] - [ 0.0000076500000000, 0.0002920100000000, 0.0000090500000000 ] - [ 0.0005555400000000, -0.0007108400000000, 0.0006437900000000 ] - [ -0.0003246300000000, -0.0001443000000000, -0.0001152200000000 ] - [ -0.0000028900000000, -0.0002995300000000, -0.0000018700000000 ] - [ 0.0000024600000000, 0.0000035100000000, -0.0002130000000000 ] - [ -0.0000387000000000, 0.0000005200000000, -0.0002010200000000 ] - [ -0.0000384100000000, 0.0000091100000000, 0.0001903500000000 ] - [ -0.0025993300000000, -0.0002468000000000, -0.0028807600000000 ] - [ 0.0000218500000000, -0.0000035200000000, 0.0001894500000000 ] - [ -0.0000610200000000, 0.0000164700000000, 0.0002428600000000 ] - [ -0.0000019200000000, 0.0000056700000000, -0.0002143100000000 ] - [ 0.0000208000000000, 0.0000076300000000, -0.0001950000000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004004000000000, -0.0000174900000000, 0.0008521500000000 ] - [ -0.0000823800000000, -0.0005890800000000, -0.0006345000000000 ] - [ 0.0003279700000000, 0.0002755200000000, -0.0007804700000000 ] - [ -0.0001166100000000, 0.0009457900000000, -0.0017475500000000 ] - [ -0.0112689700000000, 0.0088225800000000, -0.0096250000000000 ] - [ -0.0001726200000000, 0.0003290500000000, 0.0005588400000000 ] - [ 0.0000992300000000, -0.0006361100000000, 0.0003093000000000 ] - [ 0.0005828800000000, 0.0002034700000000, 0.0007765900000000 ] - [ 0.0005845900000000, -0.0000516200000000, -0.0007805200000000 ] - [ 0.0130240300000000, 0.0131682500000000, -0.0116781000000000 ] - [ 0.0003100200000000, 0.0006123400000000, -0.0004659400000000 ] - [ -0.0004615000000000, 0.0000560700000000, 0.0007928300000000 ] - [ 0.0004592200000000, -0.0001007600000000, 0.0007048600000000 ] - [ 0.0003191400000000, -0.0000590000000000, -0.0005214900000000 ] - [ 0.0004697400000000, 0.0009679300000000, -0.0000174400000000 ] - [ -0.0003871400000000, -0.0001249700000000, -0.0007623500000000 ] - [ 0.0006791300000000, -0.0007700300000000, 0.0011008900000000 ] - [ -0.0000560000000000, -0.0004484600000000, -0.0004764100000000 ] - [ 0.0001059000000000, 0.0005871000000000, -0.0005357100000000 ] - [ 0.0005044300000000, -0.0000622100000000, -0.0004833700000000 ] - [ -0.0005071500000000, 0.0000471600000000, -0.0004780900000000 ] - [ -0.0000686700000000, 0.0004897700000000, 0.0007617200000000 ] - [ 0.0000973900000000, -0.0004590500000000, 0.0007747900000000 ] - [ 0.0006363000000000, -0.0000749600000000, 0.0005982300000000 ] - [ 0.0004880400000000, 0.0000952200000000, -0.0005038100000000 ] - [ 0.0000888100000000, 0.0004666700000000, 0.0007805700000000 ] - [ -0.0001062200000000, -0.0004658500000000, 0.0007920200000000 ] - [ -0.0005844800000000, -0.0000281700000000, 0.0007176300000000 ] - [ 0.0006216400000000, 0.0002571700000000, 0.0006180900000000 ] - [ 0.0002788700000000, -0.0006648300000000, -0.0004417400000000 ] - [ 0.0000317300000000, 0.0003750300000000, -0.0005143500000000 ] - [ -0.0004910500000000, -0.0000615500000000, -0.0004893800000000 ] - [ -0.0031103600000000, -0.0361739100000000, 0.0274640500000000 ] - [ 0.0004183800000000, 0.0005487700000000, 0.0000346400000000 ] - [ -0.0004181300000000, -0.0004701600000000, 0.0000553400000000 ] - [ 0.0004660500000000, 0.0002485800000000, -0.0002160200000000 ] - [ -0.0005805200000000, -0.0004024300000000, -0.0001459500000000 ] - [ 0.0004245500000000, -0.0004650200000000, 0.0000127500000000 ] - [ 0.0002834600000000, 0.0012744700000000, -0.0001769500000000 ] - [ 0.0005625600000000, -0.0006669100000000, 0.0001161800000000 ] - [ 0.0005340100000000, -0.0003806600000000, -0.0000721000000000 ] - [ -0.0042309900000000, 0.0016402400000000, 0.0005131600000000 ] - [ 0.0042703600000000, 0.0037183600000000, 0.0005613800000000 ] - [ -0.0005611300000000, -0.0002246200000000, 0.0003065800000000 ] - [ 0.0005251600000000, 0.0003721000000000, 0.0000742000000000 ] - [ -0.0005738100000000, 0.0004711600000000, -0.0001411300000000 ] - [ 0.0003868500000000, -0.0006077400000000, 0.0000282000000000 ] - [ -0.0004968000000000, 0.0006322200000000, -0.0000304300000000 ] - [ -0.0005434900000000, 0.0023280000000000, -0.0033945700000000 ] - [ -0.0002987800000000, 0.0000338200000000, -0.0000459200000000 ] - [ 0.0002964600000000, -0.0000346700000000, -0.0000505000000000 ] - [ -0.0001760700000000, 0.0000672000000000, 0.0001923200000000 ] - [ 0.0000536100000000, 0.0003776400000000, 0.0000440900000000 ] - [ 0.0002669200000000, 0.0000709800000000, -0.0001135300000000 ] - [ -0.0003152800000000, -0.0000739000000000, -0.0000934900000000 ] - [ -0.0003413500000000, 0.0006083900000000, 0.0008112000000000 ] - [ -0.0000207100000000, 0.0000160300000000, -0.0001214500000000 ] - [ -0.0002298200000000, 0.0001491100000000, -0.0002008700000000 ] - [ -0.0000837300000000, 0.0000007400000000, 0.0002406700000000 ] - [ 0.0000067800000000, 0.0000002800000000, 0.0001458400000000 ] - [ -0.0003481700000000, -0.0003641400000000, -0.0000775300000000 ] - [ 0.0000030100000000, -0.0000053600000000, 0.0001459100000000 ] - [ 0.0007111600000000, -0.0001512400000000, -0.0003835300000000 ] - [ 0.0001647500000000, 0.0000456700000000, -0.0004979100000000 ] - [ -0.0005251200000000, 0.0004691500000000, -0.0000318000000000 ] - [ 0.0004179400000000, 0.0004624400000000, 0.0000379700000000 ] - [ -0.0004190100000000, -0.0005629100000000, -0.0000270400000000 ] - [ 0.0004932300000000, 0.0004552800000000, -0.0000335600000000 ] - [ -0.0006613300000000, 0.0000347800000000, -0.0004675000000000 ] - [ 0.0003731000000000, -0.0005279700000000, -0.0001095700000000 ] - [ -0.0003809300000000, 0.0005209400000000, -0.0001087000000000 ] - [ 0.0005306200000000, -0.0004659100000000, -0.0000298300000000 ] - [ 0.0005359500000000, -0.0004458300000000, -0.0000540600000000 ] - [ -0.0003691000000000, -0.0005183000000000, -0.0001146600000000 ] - [ 0.0003677700000000, 0.0005250700000000, -0.0001158700000000 ] - [ -0.0005306500000000, -0.0004598900000000, -0.0000302400000000 ] - [ 0.0005264600000000, 0.0004516800000000, -0.0000175300000000 ] - [ -0.0005723600000000, 0.0006205900000000, -0.0000567100000000 ] - [ 0.0003871100000000, -0.0004789600000000, 0.0000394300000000 ] - [ -0.0004930000000000, 0.0003432900000000, -0.0001640300000000 ] - [ -0.0000735500000000, -0.0002695500000000, -0.0000838000000000 ] - [ -0.0004124800000000, 0.0006928800000000, 0.0008391500000000 ] - [ 0.0002875600000000, 0.0000312100000000, 0.0000769900000000 ] - [ 0.0000658300000000, 0.0003586200000000, -0.0001406200000000 ] - [ -0.0000563900000000, 0.0002754100000000, -0.0000654200000000 ] - [ -0.0009348600000000, 0.0033153800000000, -0.0035887300000000 ] - [ -0.0002585700000000, 0.0000565800000000, 0.0002545800000000 ] - [ 0.0000341900000000, -0.0003078600000000, -0.0000546800000000 ] - [ -0.0000085300000000, -0.0000043900000000, -0.0002826400000000 ] - [ 0.0000006000000000, -0.0000287600000000, -0.0002981400000000 ] - [ 0.0000069900000000, -0.0000228900000000, 0.0001566600000000 ] - [ -0.0003245200000000, -0.0002461300000000, 0.0003931700000000 ] - [ -0.0000374300000000, 0.0000073600000000, 0.0001490000000000 ] - [ -0.0000378100000000, 0.0000428600000000, 0.0003003900000000 ] - [ 0.0000010000000000, -0.0000087200000000, -0.0002869900000000 ] - [ 0.0000164500000000, 0.0000166000000000, -0.0002721200000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005675600000000, -0.0001348300000000, 0.0004138100000000 ] - [ -0.0000703100000000, -0.0003796500000000, -0.0006308800000000 ] - [ -0.0001777000000000, 0.0006935100000000, -0.0004860100000000 ] - [ 0.0010894600000000, -0.0010926900000000, 0.0004771400000000 ] - [ 0.0106108500000000, -0.0087672600000000, 0.0086467900000000 ] - [ 0.0000185400000000, 0.0006399400000000, 0.0007065800000000 ] - [ 0.0000535100000000, -0.0003325700000000, 0.0009573600000000 ] - [ 0.0003859700000000, -0.0000505800000000, 0.0004890600000000 ] - [ 0.0003839800000000, 0.0002060400000000, -0.0004850300000000 ] - [ -0.0124623700000000, -0.0119730600000000, 0.0125158500000000 ] - [ -0.0004581400000000, -0.0015861300000000, 0.0017358100000000 ] - [ -0.0005099000000000, 0.0000978500000000, 0.0004728400000000 ] - [ 0.0005105600000000, -0.0000517300000000, 0.0005601000000000 ] - [ -0.0001633500000000, -0.0009079100000000, -0.0007424700000000 ] - [ -0.0006226700000000, 0.0000021900000000, -0.0012461700000000 ] - [ -0.0005818900000000, -0.0000278700000000, -0.0005065700000000 ] - [ -0.0016553500000000, 0.0006181800000000, 0.0001632500000000 ] - [ -0.0000965100000000, -0.0005216600000000, -0.0007887300000000 ] - [ 0.0000471600000000, 0.0003845200000000, -0.0007290100000000 ] - [ 0.0004644500000000, -0.0000914000000000, -0.0007825400000000 ] - [ -0.0004612500000000, 0.0001063500000000, -0.0007875900000000 ] - [ -0.0000840000000000, 0.0004800400000000, 0.0005036800000000 ] - [ 0.0000557500000000, -0.0005103000000000, 0.0004908600000000 ] - [ 0.0003320400000000, 0.0002293600000000, 0.0006668000000000 ] - [ 0.0004816600000000, 0.0000579900000000, -0.0007616100000000 ] - [ 0.0000646000000000, 0.0005021100000000, 0.0004848600000000 ] - [ -0.0000473800000000, -0.0005028700000000, 0.0004735800000000 ] - [ -0.0003840800000000, 0.0001805700000000, 0.0005475800000000 ] - [ 0.0003468100000000, -0.0004094600000000, 0.0006475800000000 ] - [ -0.0001279500000000, -0.0003024500000000, -0.0008244000000000 ] - [ -0.0001854000000000, 0.0005941900000000, -0.0007517300000000 ] - [ -0.0004788600000000, -0.0000906100000000, -0.0007759200000000 ] - [ 0.0013259100000000, 0.0368626700000000, -0.0272383100000000 ] - [ 0.0004167700000000, 0.0004987000000000, 0.0000506900000000 ] - [ -0.0004171400000000, -0.0005770700000000, 0.0000302900000000 ] - [ 0.0005825600000000, 0.0005865800000000, 0.0001295800000000 ] - [ -0.0004683200000000, -0.0004317800000000, 0.0000592200000000 ] - [ 0.0004074900000000, -0.0005799200000000, -0.0001005400000000 ] - [ -0.0011417200000000, -0.0002465100000000, 0.0000958400000000 ] - [ 0.0004837500000000, -0.0001675900000000, -0.0000300700000000 ] - [ 0.0005128400000000, -0.0004536600000000, -0.0000144900000000 ] - [ 0.0034300800000000, -0.0027035900000000, -0.0006056300000000 ] - [ -0.0033900700000000, -0.0026354300000000, -0.0006370300000000 ] - [ -0.0004871800000000, -0.0006116800000000, -0.0002211200000000 ] - [ 0.0005230000000000, 0.0004630600000000, 0.0000117100000000 ] - [ -0.0002621600000000, 0.0005769400000000, 0.0002258200000000 ] - [ 0.0004483500000000, -0.0004405800000000, 0.0000574400000000 ] - [ -0.0005491900000000, 0.0002012000000000, -0.0000575800000000 ] - [ 0.0005336700000000, -0.0028781600000000, 0.0033503000000000 ] - [ -0.0002891400000000, -0.0000351600000000, 0.0000471600000000 ] - [ 0.0002920900000000, 0.0000349300000000, 0.0000503100000000 ] - [ 0.0001753300000000, 0.0005203200000000, -0.0001922800000000 ] - [ -0.0000534900000000, 0.0002110900000000, -0.0000442500000000 ] - [ 0.0003215300000000, -0.0000698400000000, 0.0001126200000000 ] - [ -0.0002723800000000, 0.0000736600000000, 0.0000930300000000 ] - [ 0.0003460000000000, -0.0012152100000000, -0.0008330300000000 ] - [ 0.0000206500000000, -0.0000157400000000, -0.0003048600000000 ] - [ 0.0002304600000000, -0.0001492100000000, -0.0002258100000000 ] - [ 0.0000834300000000, -0.0000007700000000, 0.0001868700000000 ] - [ -0.0000074100000000, -0.0000009100000000, 0.0002799400000000 ] - [ 0.0003507100000000, 0.0003616200000000, 0.0005067900000000 ] - [ -0.0000040200000000, 0.0000063200000000, 0.0002820200000000 ] - [ -0.0007284800000000, 0.0001554700000000, -0.0000297900000000 ] - [ -0.0001613300000000, -0.0000428400000000, 0.0000690900000000 ] - [ -0.0005206600000000, 0.0003659200000000, 0.0001178600000000 ] - [ 0.0004166400000000, 0.0005840000000000, 0.0000482500000000 ] - [ -0.0004163700000000, -0.0004838100000000, 0.0001128000000000 ] - [ 0.0005543300000000, 0.0003806600000000, -0.0000519400000000 ] - [ -0.0003848900000000, -0.0008718500000000, 0.0003842200000000 ] - [ 0.0004606800000000, -0.0005203600000000, 0.0000227600000000 ] - [ -0.0004550300000000, 0.0005275800000000, 0.0000233100000000 ] - [ 0.0005176600000000, -0.0003674600000000, 0.0001165600000000 ] - [ 0.0005110100000000, -0.0003877400000000, -0.0000326000000000 ] - [ -0.0004672400000000, -0.0005289400000000, 0.0000305500000000 ] - [ 0.0004669800000000, 0.0005215400000000, 0.0000292100000000 ] - [ -0.0005172100000000, -0.0003745100000000, 0.0001165800000000 ] - [ 0.0005226000000000, 0.0003831200000000, 0.0001034200000000 ] - [ -0.0002615200000000, 0.0004259800000000, 0.0001431400000000 ] - [ 0.0004486000000000, -0.0005691800000000, 0.0000458500000000 ] - [ -0.0005543400000000, 0.0004921200000000, 0.0000783100000000 ] - [ 0.0000741900000000, -0.0003189500000000, 0.0000841700000000 ] - [ -0.0001769100000000, -0.0006763000000000, -0.0008175100000000 ] - [ 0.0003005400000000, -0.0000307000000000, -0.0000766900000000 ] - [ -0.0000655600000000, 0.0002275600000000, 0.0001405000000000 ] - [ 0.0000560300000000, 0.0003126400000000, 0.0000647400000000 ] - [ 0.0015264200000000, -0.0033528600000000, 0.0036375100000000 ] - [ -0.0003287900000000, -0.0000577800000000, -0.0002548700000000 ] - [ -0.0000326600000000, -0.0002800500000000, 0.0000529700000000 ] - [ 0.0000080200000000, 0.0000042500000000, -0.0001459600000000 ] - [ -0.0000012400000000, 0.0000300300000000, -0.0001296500000000 ] - [ -0.0000081200000000, 0.0000238700000000, 0.0002698000000000 ] - [ 0.0003065600000000, 0.0002389300000000, 0.0000171600000000 ] - [ 0.0000385700000000, -0.0000063600000000, 0.0002785200000000 ] - [ 0.0000374800000000, -0.0000426000000000, 0.0001269500000000 ] - [ -0.0000024900000000, 0.0000106100000000, -0.0001403500000000 ] - [ -0.0000164900000000, -0.0000161000000000, -0.0001543400000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0004825200000000, -0.0000097400000000, 0.0003484400000000 ] - [ 0.0000040200000000, -0.0003921100000000, -0.0005756600000000 ] - [ 0.0002716800000000, 0.0005640200000000, -0.0005329800000000 ] - [ 0.0000637600000000, -0.0010231000000000, 0.0006792500000000 ] - [ 0.0115992500000000, -0.0092057000000000, 0.0097455700000000 ] - [ -0.0002278600000000, 0.0006446200000000, 0.0011334000000000 ] - [ -0.0000296500000000, -0.0002787600000000, 0.0008850600000000 ] - [ 0.0003914300000000, -0.0000587000000000, 0.0004482600000000 ] - [ 0.0005895800000000, 0.0002036500000000, -0.0001567400000000 ] - [ -0.0114650100000000, -0.0110815200000000, 0.0123417800000000 ] - [ 0.0004394200000000, -0.0014160400000000, 0.0019787100000000 ] - [ -0.0004655800000000, 0.0000576100000000, 0.0003563900000000 ] - [ 0.0005931600000000, -0.0000902100000000, 0.0004836100000000 ] - [ 0.0001374100000000, -0.0006957800000000, -0.0006024900000000 ] - [ -0.0007900500000000, -0.0000803400000000, -0.0010991200000000 ] - [ -0.0003484700000000, 0.0000956000000000, -0.0005537100000000 ] - [ -0.0015838500000000, 0.0005389000000000, 0.0001717500000000 ] - [ -0.0000775000000000, -0.0004514800000000, -0.0008076600000000 ] - [ 0.0000108700000000, 0.0002999900000000, -0.0008242600000000 ] - [ 0.0004506600000000, -0.0001034400000000, -0.0008517400000000 ] - [ -0.0004497900000000, 0.0001108300000000, -0.0008545500000000 ] - [ -0.0000801500000000, 0.0004848200000000, 0.0004205200000000 ] - [ 0.0000662100000000, -0.0005045200000000, 0.0004125800000000 ] - [ 0.0003759600000000, 0.0000986000000000, 0.0006012000000000 ] - [ 0.0004797500000000, 0.0000650200000000, -0.0008449900000000 ] - [ 0.0000495000000000, 0.0005151600000000, 0.0004134300000000 ] - [ -0.0000311600000000, -0.0005221000000000, 0.0004001900000000 ] - [ -0.0006147600000000, 0.0000951100000000, 0.0007851900000000 ] - [ 0.0006177800000000, -0.0000803800000000, 0.0007059700000000 ] - [ -0.0000689500000000, -0.0003339600000000, -0.0009367500000000 ] - [ -0.0002328400000000, 0.0005988500000000, -0.0008356300000000 ] - [ -0.0004594300000000, -0.0000980600000000, -0.0008644900000000 ] - [ -0.0010359300000000, 0.0277331700000000, -0.0367739200000000 ] - [ 0.0003474600000000, 0.0005354800000000, 0.0000515100000000 ] - [ -0.0004124300000000, -0.0005668800000000, 0.0000237300000000 ] - [ 0.0006149100000000, 0.0005907200000000, 0.0000490700000000 ] - [ -0.0005978300000000, -0.0005194400000000, 0.0000719500000000 ] - [ 0.0003609000000000, -0.0006741600000000, -0.0001188000000000 ] - [ -0.0005531100000000, 0.0001442600000000, -0.0000499900000000 ] - [ 0.0005316000000000, -0.0004905500000000, -0.0003813800000000 ] - [ 0.0004934300000000, -0.0004462700000000, -0.0000154900000000 ] - [ 0.0001736400000000, -0.0005261000000000, -0.0003375900000000 ] - [ -0.0001497000000000, 0.0004121900000000, -0.0003424800000000 ] - [ -0.0005432800000000, -0.0006806900000000, -0.0001870600000000 ] - [ 0.0005343500000000, 0.0004484900000000, -0.0000821600000000 ] - [ -0.0003166800000000, 0.0005855800000000, 0.0001505700000000 ] - [ 0.0004141500000000, -0.0004715100000000, 0.0000554500000000 ] - [ -0.0006114200000000, 0.0004038600000000, 0.0001456600000000 ] - [ 0.0005381400000000, -0.0032845300000000, 0.0030034000000000 ] - [ -0.0003021600000000, -0.0000633600000000, 0.0000932600000000 ] - [ 0.0002816300000000, 0.0000970100000000, 0.0001227100000000 ] - [ -0.0000321100000000, 0.0004946000000000, -0.0001461700000000 ] - [ -0.0000475600000000, 0.0002472200000000, -0.0000989000000000 ] - [ 0.0003050600000000, -0.0001062200000000, 0.0001438800000000 ] - [ -0.0002690500000000, 0.0001005600000000, 0.0001254500000000 ] - [ -0.0001607800000000, 0.0004485200000000, 0.0005071900000000 ] - [ 0.0000117200000000, -0.0000673000000000, -0.0003867800000000 ] - [ 0.0001656300000000, -0.0001399700000000, -0.0002285900000000 ] - [ -0.0000295300000000, 0.0000083500000000, 0.0001625300000000 ] - [ -0.0000051200000000, 0.0000025600000000, 0.0003108800000000 ] - [ 0.0008338300000000, 0.0001734300000000, 0.0007033900000000 ] - [ -0.0000057900000000, 0.0000053600000000, 0.0003149700000000 ] - [ -0.0039514100000000, 0.0002892900000000, 0.0023052200000000 ] - [ -0.0007570100000000, -0.0001205600000000, 0.0003397100000000 ] - [ -0.0005193900000000, 0.0003427600000000, 0.0001543100000000 ] - [ 0.0004300400000000, 0.0005331000000000, 0.0000231700000000 ] - [ -0.0004092200000000, -0.0004869700000000, 0.0000509100000000 ] - [ 0.0005681700000000, 0.0004085800000000, -0.0000190000000000 ] - [ -0.0003951300000000, -0.0008447000000000, 0.0004064600000000 ] - [ 0.0004830200000000, -0.0005231900000000, 0.0000608400000000 ] - [ -0.0004837100000000, 0.0005297100000000, 0.0000655500000000 ] - [ 0.0005178700000000, -0.0003439400000000, 0.0001488100000000 ] - [ 0.0004722100000000, -0.0004279300000000, -0.0001052700000000 ] - [ -0.0004900300000000, -0.0005284000000000, 0.0000642400000000 ] - [ 0.0004900800000000, 0.0005254800000000, 0.0000633600000000 ] - [ -0.0005186600000000, -0.0003436200000000, 0.0001624200000000 ] - [ 0.0005202200000000, 0.0003569700000000, 0.0001422500000000 ] - [ -0.0002335100000000, 0.0004356900000000, 0.0001498900000000 ] - [ 0.0004030000000000, -0.0005309900000000, 0.0000548000000000 ] - [ -0.0004185200000000, 0.0005383600000000, 0.0000626200000000 ] - [ 0.0001135100000000, -0.0003181300000000, 0.0001273300000000 ] - [ -0.0004198700000000, 0.0008206400000000, 0.0004315600000000 ] - [ 0.0002994400000000, -0.0000291400000000, -0.0000839500000000 ] - [ -0.0001076100000000, 0.0002362800000000, 0.0001880900000000 ] - [ 0.0000744600000000, 0.0003072700000000, 0.0000933000000000 ] - [ 0.0015361100000000, -0.0036464000000000, 0.0032059600000000 ] - [ -0.0002169000000000, 0.0000709600000000, -0.0001440400000000 ] - [ -0.0000640900000000, -0.0002778700000000, 0.0000989800000000 ] - [ 0.0000051500000000, 0.0000010400000000, -0.0001133600000000 ] - [ -0.0000251200000000, 0.0000278100000000, -0.0000825000000000 ] - [ 0.0000262800000000, 0.0000080600000000, 0.0003268500000000 ] - [ 0.0037893800000000, 0.0007331200000000, 0.0027716800000000 ] - [ 0.0000409700000000, -0.0000024200000000, 0.0003351700000000 ] - [ 0.0000082100000000, -0.0000740000000000, 0.0000739200000000 ] - [ -0.0000035000000000, 0.0000108000000000, -0.0001136100000000 ] - [ -0.0000312800000000, -0.0000188400000000, -0.0001025200000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0004864200000000, -0.0001444000000000, 0.0009184100000000 ] - [ -0.0001570000000000, -0.0005767300000000, -0.0006911500000000 ] - [ -0.0001201000000000, 0.0004036200000000, -0.0007345400000000 ] - [ 0.0009092500000000, 0.0008648900000000, -0.0019396200000000 ] - [ -0.0121947900000000, 0.0090408600000000, -0.0108632900000000 ] - [ 0.0000722300000000, 0.0003231500000000, 0.0001328800000000 ] - [ 0.0001843500000000, -0.0006905300000000, 0.0003797100000000 ] - [ 0.0005769700000000, 0.0002118500000000, 0.0008174400000000 ] - [ 0.0003783600000000, -0.0000484200000000, -0.0011088100000000 ] - [ 0.0119751300000000, 0.0124454800000000, -0.0112487300000000 ] - [ -0.0005891400000000, 0.0004515700000000, -0.0007183800000000 ] - [ -0.0005041200000000, 0.0000965700000000, 0.0009096800000000 ] - [ 0.0003754100000000, -0.0000631400000000, 0.0007816700000000 ] - [ 0.0000169900000000, -0.0002688900000000, -0.0006623600000000 ] - [ 0.0006371500000000, 0.0010512900000000, -0.0001662100000000 ] - [ -0.0006188900000000, -0.0002482000000000, -0.0007114800000000 ] - [ 0.0006074100000000, -0.0006906200000000, 0.0010934300000000 ] - [ -0.0000759000000000, -0.0005177800000000, -0.0004573700000000 ] - [ 0.0001419800000000, 0.0006685100000000, -0.0004418000000000 ] - [ 0.0005181200000000, -0.0000504100000000, -0.0004141500000000 ] - [ -0.0005187800000000, 0.0000423500000000, -0.0004110200000000 ] - [ -0.0000733700000000, 0.0004837400000000, 0.0008453000000000 ] - [ 0.0000876700000000, -0.0004639700000000, 0.0008535700000000 ] - [ 0.0005926100000000, 0.0000548700000000, 0.0006651100000000 ] - [ 0.0004886900000000, 0.0000888500000000, -0.0004213700000000 ] - [ 0.0001038200000000, 0.0004533400000000, 0.0008521600000000 ] - [ -0.0001226000000000, -0.0004467400000000, 0.0008656500000000 ] - [ -0.0003546300000000, 0.0000602600000000, 0.0004816300000000 ] - [ 0.0003502100000000, -0.0000723000000000, 0.0005611600000000 ] - [ 0.0002204700000000, -0.0006336700000000, -0.0003293500000000 ] - [ 0.0000788000000000, 0.0003702600000000, -0.0004302500000000 ] - [ -0.0005094400000000, -0.0000551000000000, -0.0004011400000000 ] - [ -0.0007393000000000, -0.0269728500000000, 0.0368840900000000 ] - [ 0.0004868200000000, 0.0005129600000000, 0.0000350200000000 ] - [ -0.0004218600000000, -0.0004820500000000, 0.0000631700000000 ] - [ 0.0004353600000000, 0.0002440200000000, -0.0001337400000000 ] - [ -0.0004523800000000, -0.0003138300000000, -0.0001594100000000 ] - [ 0.0004732200000000, -0.0003733700000000, 0.0000326300000000 ] - [ -0.0002801000000000, 0.0009050400000000, -0.0000373300000000 ] - [ 0.0005159700000000, -0.0003435700000000, 0.0004679600000000 ] - [ 0.0005548000000000, -0.0003886600000000, -0.0000703700000000 ] - [ -0.0010264900000000, -0.0005091200000000, 0.0002583900000000 ] - [ 0.0009687700000000, 0.0006202600000000, 0.0002521600000000 ] - [ -0.0005067600000000, -0.0001540300000000, 0.0002735700000000 ] - [ 0.0005144800000000, 0.0003860000000000, 0.0001686400000000 ] - [ -0.0005180100000000, 0.0004631400000000, -0.0000645300000000 ] - [ 0.0004208200000000, -0.0005785700000000, 0.0000306700000000 ] - [ -0.0004366900000000, 0.0004305000000000, -0.0002322200000000 ] - [ -0.0005474500000000, 0.0027431900000000, -0.0030375800000000 ] - [ -0.0002852400000000, 0.0000623800000000, -0.0000924900000000 ] - [ 0.0003056100000000, -0.0000974900000000, -0.0001232400000000 ] - [ 0.0000314300000000, 0.0000905000000000, 0.0001471500000000 ] - [ 0.0000469100000000, 0.0003400700000000, 0.0000989000000000 ] - [ 0.0002826100000000, 0.0001072900000000, -0.0001447200000000 ] - [ -0.0003174500000000, -0.0001007600000000, -0.0001255600000000 ] - [ 0.0001635900000000, -0.0010547100000000, -0.0005211200000000 ] - [ -0.0000121500000000, 0.0000670800000000, -0.0000414500000000 ] - [ -0.0001644700000000, 0.0001394400000000, -0.0002000600000000 ] - [ 0.0000295300000000, -0.0000085100000000, 0.0002665900000000 ] - [ 0.0000043400000000, -0.0000035200000000, 0.0001170400000000 ] - [ -0.0008535400000000, -0.0001759300000000, -0.0002880200000000 ] - [ 0.0000051500000000, -0.0000050700000000, 0.0001137000000000 ] - [ 0.0039922700000000, -0.0002951600000000, -0.0027584000000000 ] - [ 0.0007371300000000, 0.0001188300000000, -0.0007536800000000 ] - [ -0.0005278500000000, 0.0004920700000000, -0.0000682800000000 ] - [ 0.0004053200000000, 0.0005153600000000, 0.0000618300000000 ] - [ -0.0004261300000000, -0.0005609700000000, 0.0000342200000000 ] - [ 0.0004806000000000, 0.0004268300000000, -0.0000667700000000 ] - [ -0.0006527600000000, 0.0000071300000000, -0.0004893900000000 ] - [ 0.0003510000000000, -0.0005259600000000, -0.0001470900000000 ] - [ -0.0003517400000000, 0.0005190600000000, -0.0001512500000000 ] - [ 0.0005322300000000, -0.0004896400000000, -0.0000621600000000 ] - [ 0.0005764500000000, -0.0004063900000000, 0.0000174300000000 ] - [ -0.0003460400000000, -0.0005205800000000, -0.0001484100000000 ] - [ 0.0003442300000000, 0.0005225200000000, -0.0001502100000000 ] - [ -0.0005303500000000, -0.0004909100000000, -0.0000760000000000 ] - [ 0.0005289600000000, 0.0004776500000000, -0.0000564600000000 ] - [ -0.0005998300000000, 0.0006120700000000, -0.0000636300000000 ] - [ 0.0004323300000000, -0.0005181100000000, 0.0000303400000000 ] - [ -0.0006304600000000, 0.0002964700000000, -0.0001482800000000 ] - [ -0.0001127700000000, -0.0002700200000000, -0.0001269200000000 ] - [ -0.0001689400000000, -0.0008046900000000, -0.0004223600000000 ] - [ 0.0002878100000000, 0.0000288500000000, 0.0000836600000000 ] - [ 0.0001080000000000, 0.0003493500000000, -0.0001883400000000 ] - [ -0.0000746800000000, 0.0002800200000000, -0.0000942000000000 ] - [ -0.0009450400000000, 0.0035983900000000, -0.0031693300000000 ] - [ -0.0003700000000000, -0.0000709200000000, 0.0001423100000000 ] - [ 0.0000642700000000, -0.0003092500000000, -0.0000992300000000 ] - [ -0.0000051700000000, -0.0000010200000000, -0.0003155500000000 ] - [ 0.0000249700000000, -0.0000269000000000, -0.0003470200000000 ] - [ -0.0000260000000000, -0.0000082200000000, 0.0001016300000000 ] - [ -0.0037505700000000, -0.0007233200000000, -0.0023198400000000 ] - [ -0.0000400900000000, 0.0000030700000000, 0.0000936300000000 ] - [ -0.0000088100000000, 0.0000738800000000, 0.0003541800000000 ] - [ 0.0000019700000000, -0.0000091000000000, -0.0003151800000000 ] - [ 0.0000317400000000, 0.0000192800000000, -0.0003258600000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0011986100000000, -0.0011625200000000, 0.0001204500000000 ] - [ -0.0001985600000000, -0.0006000400000000, -0.0005253900000000 ] - [ 0.0002605400000000, 0.0006700700000000, -0.0003082500000000 ] - [ -0.0002295600000000, 0.0010160000000000, -0.0011467500000000 ] - [ -0.0006836200000000, 0.0002918900000000, -0.0008035100000000 ] - [ 0.0001066100000000, 0.0002980500000000, 0.0009576600000000 ] - [ -0.0000455300000000, -0.0003679800000000, 0.0007400600000000 ] - [ 0.0002771800000000, -0.0001426000000000, 0.0004577700000000 ] - [ 0.0008263400000000, 0.0002265800000000, -0.0006099800000000 ] - [ 0.0114411500000000, -0.0111058000000000, 0.0113135100000000 ] - [ -0.0010915100000000, 0.0003304200000000, -0.0003039600000000 ] - [ -0.0001423100000000, -0.0000717300000000, 0.0006549800000000 ] - [ 0.0004228400000000, -0.0000528600000000, 0.0006876600000000 ] - [ -0.0009398300000000, -0.0013008800000000, -0.0015643800000000 ] - [ 0.0110723800000000, 0.0116955400000000, 0.0096607300000000 ] - [ -0.0005466100000000, -0.0001001600000000, -0.0005776800000000 ] - [ -0.0004831000000000, -0.0000720800000000, 0.0003942900000000 ] - [ -0.0000667500000000, -0.0004520100000000, -0.0007954200000000 ] - [ 0.0000871500000000, 0.0004780700000000, -0.0008141700000000 ] - [ 0.0004848100000000, -0.0000824000000000, -0.0008714500000000 ] - [ -0.0004251300000000, 0.0001735600000000, -0.0009325100000000 ] - [ -0.0000654800000000, 0.0004921200000000, 0.0004511900000000 ] - [ 0.0000861500000000, -0.0005176400000000, 0.0004698100000000 ] - [ 0.0005447800000000, -0.0000218000000000, 0.0003318200000000 ] - [ 0.0004804500000000, 0.0000374100000000, -0.0007354900000000 ] - [ 0.0000567100000000, 0.0005034100000000, 0.0004361900000000 ] - [ -0.0000476300000000, -0.0004906100000000, 0.0004370100000000 ] - [ -0.0004900900000000, 0.0001149800000000, 0.0005295900000000 ] - [ 0.0005248900000000, -0.0000295200000000, 0.0005021900000000 ] - [ 0.0001058800000000, -0.0004792000000000, -0.0008282200000000 ] - [ -0.0000960500000000, 0.0004655000000000, -0.0008291000000000 ] - [ -0.0004448900000000, -0.0001224700000000, -0.0007632200000000 ] - [ -0.0001028000000000, -0.0001116000000000, 0.0005763800000000 ] - [ 0.0004479900000000, 0.0004607100000000, 0.0000143800000000 ] - [ 0.0002758600000000, -0.0003462600000000, -0.0007797100000000 ] - [ 0.0009499700000000, 0.0009643800000000, 0.0005088700000000 ] - [ -0.0002854500000000, -0.0002411000000000, -0.0000118100000000 ] - [ 0.0010924600000000, -0.0007014700000000, -0.0008456400000000 ] - [ -0.0003868700000000, 0.0005897600000000, -0.0000720100000000 ] - [ 0.0007644900000000, -0.0005929300000000, 0.0000742800000000 ] - [ 0.0005546900000000, -0.0003624500000000, -0.0000915000000000 ] - [ -0.0003606100000000, -0.0006684900000000, 0.0000283500000000 ] - [ 0.0037694300000000, -0.0002022600000000, 0.0036030200000000 ] - [ -0.0004943700000000, -0.0004719800000000, -0.0000049800000000 ] - [ 0.0002929200000000, 0.0007583100000000, 0.0002037000000000 ] - [ 0.0028973000000000, 0.0012536900000000, 0.0036398300000000 ] - [ 0.0004759500000000, -0.0003809000000000, 0.0001129400000000 ] - [ -0.0007542200000000, 0.0000714000000000, 0.0001211800000000 ] - [ -0.0382005900000000, 0.0000954900000000, -0.0282451000000000 ] - [ -0.0002755400000000, -0.0000014400000000, 0.0000006500000000 ] - [ 0.0002263400000000, 0.0000357700000000, 0.0000022000000000 ] - [ 0.0013103300000000, 0.0002914500000000, -0.0004219000000000 ] - [ -0.0000513800000000, 0.0002939000000000, -0.0000356000000000 ] - [ 0.0006412400000000, -0.0001375100000000, 0.0004816900000000 ] - [ -0.0002583200000000, 0.0001402900000000, 0.0001669900000000 ] - [ 0.0001104900000000, -0.0002933300000000, -0.0000899500000000 ] - [ 0.0001357300000000, -0.0002017300000000, -0.0002795800000000 ] - [ -0.0000471000000000, 0.0000196400000000, -0.0000936300000000 ] - [ 0.0001426500000000, 0.0002096700000000, 0.0001498500000000 ] - [ -0.0000467200000000, -0.0000190300000000, 0.0003343200000000 ] - [ 0.0036917200000000, 0.0035208400000000, 0.0013055500000000 ] - [ -0.0000111300000000, 0.0000242900000000, 0.0002878100000000 ] - [ 0.0037250000000000, -0.0035614000000000, 0.0008750600000000 ] - [ -0.0000094800000000, -0.0000223100000000, -0.0001429900000000 ] - [ -0.0005180000000000, 0.0003438400000000, 0.0001559600000000 ] - [ 0.0003825900000000, 0.0005054400000000, 0.0001401100000000 ] - [ -0.0003828300000000, -0.0005275500000000, 0.0001058700000000 ] - [ 0.0005306500000000, 0.0004913800000000, 0.0000702700000000 ] - [ -0.0005360800000000, -0.0004820000000000, 0.0000637000000000 ] - [ 0.0004496000000000, -0.0005237500000000, 0.0000181400000000 ] - [ -0.0004521300000000, 0.0005441300000000, 0.0000541700000000 ] - [ 0.0005138800000000, -0.0003508900000000, 0.0001509600000000 ] - [ 0.0005163600000000, -0.0004734000000000, 0.0000313700000000 ] - [ -0.0004917500000000, -0.0005370500000000, 0.0000582500000000 ] - [ 0.0004870000000000, 0.0005168000000000, 0.0000627500000000 ] - [ -0.0005333900000000, -0.0003605700000000, 0.0001179700000000 ] - [ 0.0005293300000000, 0.0003841500000000, 0.0001062700000000 ] - [ -0.0003473000000000, 0.0005320000000000, 0.0001491600000000 ] - [ 0.0003429900000000, -0.0005124300000000, 0.0001437100000000 ] - [ -0.0005219300000000, 0.0004513400000000, 0.0000212000000000 ] - [ 0.0000857700000000, -0.0002944600000000, 0.0001163100000000 ] - [ -0.0003614400000000, -0.0000366100000000, 0.0000029700000000 ] - [ 0.0003114200000000, 0.0000000700000000, -0.0000006000000000 ] - [ -0.0000821400000000, 0.0002935200000000, 0.0001157100000000 ] - [ 0.0000572400000000, 0.0002939500000000, 0.0000834300000000 ] - [ 0.0003281100000000, -0.0001386600000000, 0.0001656300000000 ] - [ 0.0000558700000000, 0.0001399200000000, 0.0004858100000000 ] - [ -0.0000678900000000, -0.0002941000000000, 0.0000890700000000 ] - [ 0.0000013000000000, 0.0000044300000000, -0.0001323300000000 ] - [ -0.0000060700000000, 0.0001393400000000, -0.0001554400000000 ] - [ 0.0000013600000000, -0.0000043800000000, 0.0002977100000000 ] - [ -0.0000077100000000, -0.0001403700000000, 0.0002738600000000 ] - [ -0.0000011300000000, 0.0000011500000000, 0.0003057200000000 ] - [ -0.0000422300000000, 0.0000108900000000, 0.0001742000000000 ] - [ -0.0000021000000000, 0.0000000800000000, -0.0001239200000000 ] - [ -0.0000418500000000, -0.0000108800000000, -0.0002560800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000876500000000, 0.0007247300000000, 0.0009032400000000 ] - [ -0.0002978900000000, -0.0006858200000000, -0.0006403300000000 ] - [ 0.0000562100000000, 0.0001313500000000, -0.0006760600000000 ] - [ 0.0000876500000000, 0.0007247300000000, -0.0009032400000000 ] - [ 0.0003511500000000, -0.0001726900000000, -0.0002274400000000 ] - [ -0.0000562100000000, 0.0001313500000000, 0.0006760600000000 ] - [ 0.0002978900000000, -0.0006858200000000, 0.0006403300000000 ] - [ -0.0003511500000000, -0.0001726900000000, 0.0002274400000000 ] - [ 0.0004853400000000, -0.0000378200000000, -0.0009483600000000 ] - [ -0.0133320400000000, 0.0180559300000000, -0.0119469100000000 ] - [ 0.0001620700000000, -0.0006559200000000, 0.0015311000000000 ] - [ -0.0004853400000000, -0.0000378200000000, 0.0009483600000000 ] - [ 0.0005280900000000, -0.0002014600000000, 0.0006014100000000 ] - [ -0.0001620700000000, -0.0006559200000000, -0.0015311000000000 ] - [ 0.0133320400000000, 0.0180559300000000, 0.0119469100000000 ] - [ -0.0005280900000000, -0.0002014600000000, -0.0006014100000000 ] - [ -0.0002689800000000, -0.0002461200000000, 0.0007035000000000 ] - [ -0.0000771700000000, -0.0004731000000000, -0.0006251100000000 ] - [ 0.0000842600000000, 0.0005189000000000, -0.0006395400000000 ] - [ 0.0002689800000000, -0.0002461200000000, -0.0007035000000000 ] - [ -0.0005358000000000, 0.0000019000000000, -0.0005544600000000 ] - [ -0.0000842600000000, 0.0005189000000000, 0.0006395400000000 ] - [ 0.0000771700000000, -0.0004731000000000, 0.0006251100000000 ] - [ 0.0005358000000000, 0.0000019000000000, 0.0005544600000000 ] - [ 0.0005019000000000, 0.0000623400000000, -0.0006486400000000 ] - [ 0.0000522600000000, 0.0004464100000000, 0.0006399300000000 ] - [ -0.0001200700000000, -0.0005213100000000, 0.0006303600000000 ] - [ -0.0005019000000000, 0.0000623400000000, 0.0006486400000000 ] - [ 0.0005269000000000, 0.0000404800000000, 0.0006187700000000 ] - [ 0.0001200700000000, -0.0005213100000000, -0.0006303600000000 ] - [ -0.0000522600000000, 0.0004464100000000, -0.0006399300000000 ] - [ -0.0005269000000000, 0.0000404800000000, -0.0006187700000000 ] - [ -0.0016335000000000, 0.0030075100000000, -0.0029506300000000 ] - [ 0.0004233500000000, 0.0006282400000000, 0.0000386000000000 ] - [ -0.0002999100000000, -0.0004169400000000, -0.0000800000000000 ] - [ 0.0016335000000000, 0.0030075100000000, 0.0029506300000000 ] - [ -0.0005725000000000, -0.0006434900000000, 0.0001575800000000 ] - [ 0.0002999100000000, -0.0004169400000000, 0.0000800000000000 ] - [ -0.0004233500000000, 0.0006282400000000, -0.0000386000000000 ] - [ 0.0005725000000000, -0.0006434900000000, -0.0001575800000000 ] - [ 0.0005369300000000, -0.0003330300000000, -0.0000910100000000 ] - [ -0.0004516800000000, -0.0004904200000000, -0.0001218400000000 ] - [ 0.0016340500000000, 0.0002550400000000, 0.0011829200000000 ] - [ -0.0005369300000000, -0.0003330300000000, 0.0000910100000000 ] - [ 0.0005099200000000, 0.0013389900000000, 0.0008081800000000 ] - [ -0.0016340500000000, 0.0002550400000000, -0.0011829200000000 ] - [ 0.0004516800000000, -0.0004904200000000, 0.0001218400000000 ] - [ -0.0005099200000000, 0.0013389900000000, -0.0008081800000000 ] - [ 0.0000000000000000, -0.0474198400000000, 0.0000000000000000 ] - [ -0.0002943400000000, 0.0000171200000000, -0.0000102100000000 ] - [ 0.0002942100000000, -0.0000680000000000, -0.0000487900000000 ] - [ 0.0000000000000000, 0.0007162700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003715800000000, 0.0000000000000000 ] - [ 0.0001399400000000, 0.0000345600000000, -0.0002044500000000 ] - [ -0.0001400800000000, 0.0003475400000000, 0.0003229100000000 ] - [ 0.0000000000000000, -0.0001898400000000, 0.0000000000000000 ] - [ -0.0001725600000000, 0.0003171200000000, -0.0002252300000000 ] - [ -0.0000760800000000, 0.0000485200000000, -0.0001990000000000 ] - [ 0.0001725600000000, 0.0003171200000000, 0.0002252300000000 ] - [ 0.0000760800000000, 0.0000485200000000, 0.0001990000000000 ] - [ 0.0030185000000000, 0.0022878600000000, 0.0011110400000000 ] - [ 0.0000093200000000, -0.0000068200000000, 0.0002428300000000 ] - [ -0.0030185000000000, 0.0022878600000000, -0.0011110400000000 ] - [ -0.0000093200000000, -0.0000068200000000, -0.0002428300000000 ] - [ -0.0005154500000000, 0.0004408200000000, 0.0000208000000000 ] - [ 0.0004141400000000, 0.0004950800000000, 0.0000567000000000 ] - [ -0.0004117900000000, -0.0005305900000000, 0.0000358100000000 ] - [ 0.0005154500000000, 0.0004408200000000, -0.0000208000000000 ] - [ -0.0005505300000000, -0.0003508400000000, -0.0001014200000000 ] - [ 0.0004117900000000, -0.0005305900000000, -0.0000358100000000 ] - [ -0.0004141400000000, 0.0004950800000000, -0.0000567000000000 ] - [ 0.0005505300000000, -0.0003508400000000, 0.0001014200000000 ] - [ 0.0005227300000000, -0.0004350500000000, -0.0000311100000000 ] - [ -0.0003952200000000, -0.0005067200000000, -0.0000684700000000 ] - [ 0.0004444900000000, 0.0005492300000000, -0.0000327800000000 ] - [ -0.0005227300000000, -0.0004350500000000, 0.0000311100000000 ] - [ 0.0005156000000000, 0.0004026700000000, 0.0000599700000000 ] - [ -0.0004444900000000, 0.0005492300000000, 0.0000327800000000 ] - [ 0.0003952200000000, -0.0005067200000000, 0.0000684700000000 ] - [ -0.0005156000000000, 0.0004026700000000, -0.0000599700000000 ] - [ 0.0000000000000000, -0.0002780100000000, 0.0000000000000000 ] - [ -0.0002942100000000, -0.0000680000000000, 0.0000487900000000 ] - [ 0.0002943400000000, 0.0000171200000000, 0.0000102100000000 ] - [ 0.0000000000000000, 0.0003215500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002860800000000, 0.0000000000000000 ] - [ 0.0001400800000000, 0.0003475400000000, -0.0003229100000000 ] - [ -0.0001399400000000, 0.0000345600000000, 0.0002044500000000 ] - [ 0.0000000000000000, -0.0003069700000000, 0.0000000000000000 ] - [ -0.0000044700000000, -0.0000067400000000, -0.0002122700000000 ] - [ 0.0001342800000000, -0.0001964700000000, -0.0001998400000000 ] - [ 0.0000044700000000, -0.0000067400000000, 0.0002122700000000 ] - [ -0.0001342800000000, -0.0001964700000000, 0.0001998400000000 ] - [ -0.0000068900000000, 0.0000023700000000, 0.0002139700000000 ] - [ -0.0000305500000000, 0.0000742400000000, 0.0002338900000000 ] - [ 0.0000068900000000, 0.0000023700000000, -0.0002139700000000 ] - [ 0.0000305500000000, 0.0000742400000000, -0.0002338900000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008841300000000, -0.0008816100000000, 0.0003600700000000 ] - [ 0.0001405200000000, -0.0002811100000000, -0.0006229000000000 ] - [ 0.0000964000000000, 0.0008314900000000, -0.0005903000000000 ] - [ 0.0008841300000000, -0.0008816100000000, -0.0003600700000000 ] - [ -0.0013201900000000, 0.0003224900000000, -0.0010345200000000 ] - [ -0.0000964000000000, 0.0008314900000000, 0.0005903000000000 ] - [ -0.0001405200000000, -0.0002811100000000, 0.0006229000000000 ] - [ 0.0013201900000000, 0.0003224900000000, 0.0010345200000000 ] - [ 0.0004862900000000, 0.0001941000000000, -0.0003220900000000 ] - [ 0.0139053000000000, -0.0173164700000000, 0.0136107900000000 ] - [ -0.0003108000000000, -0.0003156700000000, -0.0002653400000000 ] - [ -0.0004862900000000, 0.0001941000000000, 0.0003220900000000 ] - [ 0.0004405300000000, 0.0000482700000000, 0.0006640400000000 ] - [ 0.0003108000000000, -0.0003156700000000, 0.0002653400000000 ] - [ -0.0139053000000000, -0.0173164700000000, -0.0136107900000000 ] - [ -0.0004405300000000, 0.0000482700000000, -0.0006640400000000 ] - [ -0.0007009000000000, 0.0000935300000000, 0.0005622000000000 ] - [ -0.0000756400000000, -0.0004958700000000, -0.0006405700000000 ] - [ 0.0000686200000000, 0.0004503900000000, -0.0006259000000000 ] - [ 0.0007009000000000, 0.0000935300000000, -0.0005622000000000 ] - [ -0.0004322800000000, 0.0001519000000000, -0.0007119800000000 ] - [ -0.0000686200000000, 0.0004503900000000, 0.0006259000000000 ] - [ 0.0000756400000000, -0.0004958700000000, 0.0006405700000000 ] - [ 0.0004322800000000, 0.0001519000000000, 0.0007119800000000 ] - [ 0.0004668700000000, 0.0000906500000000, -0.0006169400000000 ] - [ 0.0001010800000000, 0.0005222600000000, 0.0006257900000000 ] - [ -0.0000328500000000, -0.0004466300000000, 0.0006355400000000 ] - [ -0.0004668700000000, 0.0000906500000000, 0.0006169400000000 ] - [ 0.0004427000000000, -0.0001924300000000, 0.0006462200000000 ] - [ 0.0000328500000000, -0.0004466300000000, -0.0006355400000000 ] - [ -0.0001010800000000, 0.0005222600000000, -0.0006257900000000 ] - [ -0.0004427000000000, -0.0001924300000000, -0.0006462200000000 ] - [ 0.0005889100000000, -0.0021965000000000, 0.0030720100000000 ] - [ 0.0004128100000000, 0.0004197500000000, 0.0000463400000000 ] - [ -0.0005369000000000, -0.0006293300000000, 0.0001678500000000 ] - [ -0.0005889100000000, -0.0021965000000000, -0.0030720100000000 ] - [ -0.0004727200000000, -0.0001916200000000, -0.0002420500000000 ] - [ 0.0005369000000000, -0.0006293300000000, -0.0001678500000000 ] - [ -0.0004128100000000, 0.0004197500000000, -0.0000463400000000 ] - [ 0.0004727200000000, -0.0001916200000000, 0.0002420500000000 ] - [ 0.0005089200000000, -0.0005017700000000, 0.0000055600000000 ] - [ -0.0003829800000000, -0.0005531500000000, 0.0000346800000000 ] - [ -0.0008250400000000, 0.0007800500000000, -0.0012950400000000 ] - [ -0.0005089200000000, -0.0005017700000000, -0.0000055600000000 ] - [ 0.0005343600000000, -0.0004827700000000, -0.0006982200000000 ] - [ 0.0008250400000000, 0.0007800500000000, 0.0012950400000000 ] - [ 0.0003829800000000, -0.0005531500000000, -0.0000346800000000 ] - [ -0.0005343600000000, -0.0004827700000000, 0.0006982200000000 ] - [ 0.0000000000000000, 0.0473354900000000, 0.0000000000000000 ] - [ -0.0002934600000000, -0.0000180100000000, 0.0000111800000000 ] - [ 0.0002959100000000, 0.0000664500000000, 0.0000467100000000 ] - [ 0.0000000000000000, -0.0001282100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002180600000000, 0.0000000000000000 ] - [ 0.0004498200000000, -0.0000332300000000, 0.0002048600000000 ] - [ -0.0004506700000000, -0.0003499100000000, -0.0003258300000000 ] - [ 0.0000000000000000, -0.0003966200000000, 0.0000000000000000 ] - [ 0.0001616400000000, -0.0003083300000000, -0.0001994900000000 ] - [ 0.0000759500000000, -0.0000478800000000, -0.0002232800000000 ] - [ -0.0001616400000000, -0.0003083300000000, 0.0001994900000000 ] - [ -0.0000759500000000, -0.0000478800000000, 0.0002232800000000 ] - [ -0.0030518900000000, -0.0023056700000000, -0.0006851700000000 ] - [ -0.0000107900000000, 0.0000089500000000, 0.0001830200000000 ] - [ 0.0030518900000000, -0.0023056700000000, 0.0006851700000000 ] - [ 0.0000107900000000, 0.0000089500000000, -0.0001830200000000 ] - [ -0.0005294700000000, 0.0003937500000000, 0.0000655700000000 ] - [ 0.0004213900000000, 0.0005503900000000, 0.0000280000000000 ] - [ -0.0004224700000000, -0.0005170100000000, 0.0000500300000000 ] - [ 0.0005294700000000, 0.0003937500000000, -0.0000655700000000 ] - [ -0.0004921200000000, -0.0004827200000000, 0.0000149200000000 ] - [ 0.0004224700000000, -0.0005170100000000, -0.0000500300000000 ] - [ -0.0004213900000000, 0.0005503900000000, -0.0000280000000000 ] - [ 0.0004921200000000, -0.0004827200000000, -0.0000149200000000 ] - [ 0.0005231100000000, -0.0003983700000000, -0.0000556900000000 ] - [ -0.0004406000000000, -0.0005378500000000, -0.0000159600000000 ] - [ 0.0003922000000000, 0.0004938500000000, -0.0000509400000000 ] - [ -0.0005231100000000, -0.0003983700000000, 0.0000556900000000 ] - [ 0.0005316900000000, 0.0004334600000000, 0.0000245400000000 ] - [ -0.0003922000000000, 0.0004938500000000, 0.0000509400000000 ] - [ 0.0004406000000000, -0.0005378500000000, 0.0000159600000000 ] - [ -0.0005316900000000, 0.0004334600000000, -0.0000245400000000 ] - [ 0.0000000000000000, -0.0003104300000000, 0.0000000000000000 ] - [ -0.0002959100000000, 0.0000664500000000, -0.0000467100000000 ] - [ 0.0002934600000000, -0.0000180100000000, -0.0000111800000000 ] - [ 0.0000000000000000, 0.0002674800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003020800000000, 0.0000000000000000 ] - [ 0.0004506700000000, -0.0003499100000000, 0.0003258300000000 ] - [ -0.0004498200000000, -0.0000332300000000, -0.0002048600000000 ] - [ 0.0000000000000000, -0.0002819700000000, 0.0000000000000000 ] - [ 0.0000052600000000, 0.0000077700000000, -0.0002146500000000 ] - [ -0.0001344100000000, 0.0001974800000000, -0.0002258700000000 ] - [ -0.0000052600000000, 0.0000077700000000, 0.0002146500000000 ] - [ 0.0001344100000000, 0.0001974800000000, 0.0002258700000000 ] - [ 0.0000066800000000, -0.0000021400000000, 0.0002113900000000 ] - [ 0.0000295600000000, -0.0000738800000000, 0.0001928100000000 ] - [ -0.0000066800000000, -0.0000021400000000, -0.0002113900000000 ] - [ -0.0000295600000000, -0.0000738800000000, -0.0001928100000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0012031900000000, -0.0010842300000000, 0.0002421500000000 ] - [ -0.0002401300000000, -0.0003745200000000, -0.0001491000000000 ] - [ 0.0001886300000000, 0.0003415600000000, -0.0002487700000000 ] - [ -0.0002361500000000, 0.0009379800000000, -0.0010234400000000 ] - [ -0.0016662200000000, 0.0006565200000000, -0.0011913500000000 ] - [ 0.0000347600000000, 0.0006271400000000, 0.0010172800000000 ] - [ -0.0000878900000000, -0.0005931300000000, 0.0011168600000000 ] - [ -0.0006938300000000, -0.0005043600000000, 0.0000734200000000 ] - [ 0.0004991900000000, -0.0000457100000000, -0.0005406100000000 ] - [ 0.0106498100000000, -0.0104612700000000, 0.0111163000000000 ] - [ -0.0004517900000000, -0.0002515400000000, 0.0008088700000000 ] - [ -0.0004700500000000, 0.0002012000000000, 0.0007235600000000 ] - [ 0.0004513400000000, -0.0000607000000000, 0.0006575800000000 ] - [ -0.0003015000000000, -0.0007204000000000, -0.0004639600000000 ] - [ 0.0101409400000000, 0.0111032200000000, 0.0097014200000000 ] - [ -0.0005180700000000, -0.0000923200000000, -0.0006077000000000 ] - [ -0.0006720800000000, 0.0000590500000000, 0.0002895000000000 ] - [ -0.0000731200000000, -0.0004456800000000, -0.0008638100000000 ] - [ 0.0000871300000000, 0.0004629000000000, -0.0008767900000000 ] - [ 0.0002973400000000, -0.0002125100000000, -0.0009759500000000 ] - [ -0.0004124300000000, 0.0002158500000000, -0.0009701200000000 ] - [ -0.0000657900000000, 0.0005067400000000, 0.0003888200000000 ] - [ 0.0000799400000000, -0.0005235700000000, 0.0004017100000000 ] - [ 0.0005565600000000, -0.0000633200000000, 0.0002948600000000 ] - [ 0.0005107300000000, -0.0000000100000000, -0.0007810400000000 ] - [ 0.0000350700000000, 0.0004885600000000, 0.0003763400000000 ] - [ -0.0000679500000000, -0.0005160700000000, 0.0003591100000000 ] - [ -0.0004590400000000, 0.0001530500000000, 0.0004846000000000 ] - [ 0.0005035900000000, -0.0000648900000000, 0.0004430200000000 ] - [ 0.0000855400000000, -0.0004527700000000, -0.0009066500000000 ] - [ -0.0001185800000000, 0.0004802000000000, -0.0008894000000000 ] - [ -0.0004657000000000, -0.0000879100000000, -0.0008228000000000 ] - [ 0.0008553900000000, -0.0029728000000000, 0.0030755300000000 ] - [ 0.0004938900000000, 0.0005837300000000, -0.0000406200000000 ] - [ -0.0012378400000000, -0.0007029300000000, 0.0004657500000000 ] - [ 0.0019002900000000, 0.0037708700000000, 0.0029648200000000 ] - [ -0.0003723500000000, -0.0002251100000000, -0.0001895800000000 ] - [ -0.0004198600000000, -0.0003411300000000, 0.0003876800000000 ] - [ -0.0003410800000000, 0.0004627000000000, -0.0001264000000000 ] - [ 0.0006745400000000, -0.0006103000000000, -0.0001050000000000 ] - [ 0.0005585600000000, -0.0003722600000000, -0.0001429000000000 ] - [ -0.0001615600000000, -0.0006375700000000, -0.0001874000000000 ] - [ 0.0040541800000000, -0.0001360900000000, 0.0031626400000000 ] - [ -0.0004869500000000, -0.0004626900000000, -0.0000566900000000 ] - [ 0.0005478800000000, 0.0012493800000000, 0.0005649100000000 ] - [ 0.0031707100000000, 0.0011852200000000, 0.0032105100000000 ] - [ 0.0006721500000000, -0.0004085600000000, -0.0000998500000000 ] - [ -0.0004976900000000, -0.0003950800000000, 0.0004633300000000 ] - [ -0.0282444200000000, 0.0000247800000000, -0.0353262500000000 ] - [ -0.0002834200000000, -0.0000011800000000, 0.0000060500000000 ] - [ 0.0002462900000000, 0.0000026600000000, -0.0000484000000000 ] - [ 0.0004220700000000, 0.0002953800000000, -0.0003037000000000 ] - [ -0.0000357600000000, 0.0002952000000000, -0.0001194300000000 ] - [ 0.0006174400000000, -0.0001642500000000, 0.0004739300000000 ] - [ -0.0000893800000000, 0.0004833900000000, 0.0004757300000000 ] - [ 0.0000900100000000, -0.0002943800000000, -0.0000557300000000 ] - [ 0.0001525600000000, -0.0001694100000000, -0.0004411700000000 ] - [ -0.0000199100000000, 0.0000017700000000, -0.0001008500000000 ] - [ 0.0001526200000000, 0.0001684300000000, -0.0000173100000000 ] - [ -0.0000202000000000, -0.0000021200000000, 0.0003240500000000 ] - [ 0.0004721700000000, 0.0004338800000000, 0.0004037400000000 ] - [ -0.0000164500000000, 0.0000388000000000, 0.0003127400000000 ] - [ 0.0004544300000000, -0.0004187800000000, -0.0000241700000000 ] - [ -0.0000147700000000, -0.0000370700000000, -0.0001147300000000 ] - [ -0.0005134400000000, 0.0003335900000000, 0.0001700600000000 ] - [ 0.0003669500000000, 0.0005099700000000, 0.0001658200000000 ] - [ -0.0003708200000000, -0.0005263000000000, 0.0001358100000000 ] - [ 0.0005315800000000, 0.0005016800000000, 0.0000840900000000 ] - [ -0.0005113700000000, -0.0005574200000000, 0.0001444700000000 ] - [ 0.0004619600000000, -0.0005214900000000, 0.0000480600000000 ] - [ -0.0004680800000000, 0.0005361300000000, 0.0000798700000000 ] - [ 0.0005351400000000, -0.0002766700000000, 0.0002308600000000 ] - [ 0.0005130000000000, -0.0004824900000000, 0.0000503900000000 ] - [ -0.0005116300000000, -0.0005409800000000, 0.0000835000000000 ] - [ 0.0005296100000000, 0.0005343300000000, 0.0000999500000000 ] - [ -0.0005333400000000, -0.0003519200000000, 0.0001371500000000 ] - [ 0.0005229000000000, 0.0003641100000000, 0.0001410100000000 ] - [ -0.0003044900000000, 0.0005106800000000, 0.0001867900000000 ] - [ 0.0003240000000000, -0.0005051500000000, 0.0001684400000000 ] - [ -0.0005250200000000, 0.0004719300000000, 0.0000561600000000 ] - [ 0.0001163800000000, -0.0002954000000000, 0.0001543300000000 ] - [ -0.0003427700000000, -0.0000028300000000, -0.0000497300000000 ] - [ 0.0003050700000000, -0.0000008600000000, 0.0000041700000000 ] - [ -0.0001159600000000, 0.0002940700000000, 0.0001736000000000 ] - [ 0.0000834800000000, 0.0002947900000000, 0.0001144200000000 ] - [ 0.0005004500000000, -0.0004851600000000, 0.0004776600000000 ] - [ 0.0000307600000000, 0.0001663500000000, 0.0004778600000000 ] - [ -0.0000890500000000, -0.0002949100000000, 0.0001203200000000 ] - [ 0.0000009900000000, 0.0000033300000000, -0.0000983800000000 ] - [ 0.0001119500000000, 0.0000804900000000, -0.0001046200000000 ] - [ 0.0000010400000000, -0.0000033200000000, 0.0003275300000000 ] - [ 0.0001117200000000, -0.0000811300000000, 0.0003212500000000 ] - [ 0.0000042400000000, -0.0000006100000000, 0.0003355600000000 ] - [ 0.0000104600000000, 0.0000037600000000, 0.0001519800000000 ] - [ 0.0000030000000000, 0.0000019900000000, -0.0000902100000000 ] - [ 0.0000107400000000, -0.0000040600000000, -0.0002733100000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0006052400000000, -0.0001965600000000, 0.0004295700000000 ] - [ -0.0008349000000000, 0.0002665300000000, -0.0012532300000000 ] - [ -0.0006814300000000, 0.0012376000000000, -0.0000123800000000 ] - [ 0.0003316600000000, -0.0001031200000000, -0.0006439900000000 ] - [ -0.0006357800000000, 0.0000507200000000, -0.0006231100000000 ] - [ 0.0125703900000000, 0.0109923000000000, 0.0137755900000000 ] - [ 0.0124824900000000, 0.0096359100000000, -0.0120734900000000 ] - [ 0.0003638500000000, -0.0000421700000000, 0.0008368400000000 ] - [ 0.0017386600000000, 0.0010162100000000, -0.0010978800000000 ] - [ -0.0001207200000000, 0.0004392500000000, 0.0005544200000000 ] - [ -0.0002756300000000, -0.0005286200000000, 0.0007089200000000 ] - [ -0.0007013700000000, 0.0003504300000000, 0.0006299400000000 ] - [ 0.0002673400000000, 0.0001930400000000, 0.0006367600000000 ] - [ 0.0003722700000000, -0.0006478900000000, -0.0007835600000000 ] - [ 0.0002186100000000, 0.0003197900000000, -0.0004855600000000 ] - [ 0.0007637700000000, 0.0008584600000000, -0.0001648300000000 ] - [ -0.0005713600000000, 0.0000424800000000, 0.0005800100000000 ] - [ -0.0000388200000000, -0.0004566300000000, -0.0006430000000000 ] - [ 0.0001147700000000, 0.0005116600000000, -0.0006225500000000 ] - [ 0.0005212400000000, -0.0000384400000000, -0.0006086100000000 ] - [ -0.0004465700000000, 0.0001159100000000, -0.0006575300000000 ] - [ -0.0000826300000000, 0.0004790600000000, 0.0006310800000000 ] - [ 0.0000714900000000, -0.0004891300000000, 0.0006360600000000 ] - [ 0.0003960800000000, 0.0001973200000000, 0.0006865700000000 ] - [ 0.0004711000000000, 0.0000641700000000, -0.0006322200000000 ] - [ 0.0000860100000000, 0.0004919200000000, 0.0006338200000000 ] - [ -0.0000679300000000, -0.0004758900000000, 0.0006333700000000 ] - [ -0.0003686100000000, 0.0001377500000000, 0.0006928800000000 ] - [ 0.0006009600000000, -0.0000154100000000, 0.0005748100000000 ] - [ 0.0000642000000000, -0.0004740200000000, -0.0006295300000000 ] - [ -0.0000898300000000, 0.0004938900000000, -0.0006365100000000 ] - [ -0.0004974000000000, -0.0000893200000000, -0.0006333600000000 ] - [ -0.0004360500000000, 0.0003962800000000, 0.0000551900000000 ] - [ 0.0005666700000000, 0.0003921900000000, -0.0000969600000000 ] - [ -0.0002677100000000, -0.0006554800000000, 0.0001832000000000 ] - [ 0.0004403800000000, 0.0005010900000000, -0.0000719700000000 ] - [ -0.0006047900000000, -0.0003337700000000, -0.0000135200000000 ] - [ 0.0001729000000000, -0.0002669300000000, -0.0007791300000000 ] - [ -0.0006587600000000, 0.0007667800000000, 0.0006768600000000 ] - [ 0.0006092200000000, -0.0004388600000000, 0.0000305600000000 ] - [ 0.0013285000000000, -0.0007647900000000, 0.0007893400000000 ] - [ -0.0003743700000000, -0.0005054400000000, -0.0001168900000000 ] - [ 0.0004608000000000, 0.0005395800000000, 0.0000315700000000 ] - [ 0.0019814400000000, -0.0011323700000000, -0.0039085400000000 ] - [ 0.0030534800000000, -0.0003091400000000, 0.0040365300000000 ] - [ -0.0003717100000000, 0.0008735900000000, 0.0001645500000000 ] - [ 0.0004610000000000, -0.0001745400000000, -0.0000750200000000 ] - [ 0.0003010100000000, 0.0000651700000000, -0.0008975400000000 ] - [ 0.0001425400000000, -0.0004650900000000, 0.0001543600000000 ] - [ -0.0002446400000000, -0.0000182200000000, 0.0000005800000000 ] - [ 0.0003417700000000, -0.0000190600000000, -0.0000016400000000 ] - [ 0.0001363200000000, 0.0001304000000000, -0.0001514800000000 ] - [ 0.0036868600000000, 0.0033041000000000, 0.0004595900000000 ] - [ 0.0002871200000000, -0.0000227200000000, 0.0000374800000000 ] - [ -0.0003011200000000, -0.0000224800000000, -0.0000372000000000 ] - [ 0.0037305100000000, 0.0027679000000000, -0.0004676700000000 ] - [ -0.0400534700000000, -0.0282495600000000, -0.0006468800000000 ] - [ 0.0001460700000000, -0.0001833400000000, -0.0002126800000000 ] - [ 0.0002977300000000, -0.0003258300000000, 0.0002140600000000 ] - [ -0.0000254100000000, -0.0000138300000000, 0.0002124800000000 ] - [ -0.0000422700000000, 0.0000331700000000, 0.0002130600000000 ] - [ -0.0000070900000000, -0.0000003800000000, 0.0002137600000000 ] - [ 0.0002634000000000, 0.0000044200000000, -0.0002115400000000 ] - [ 0.0000008500000000, 0.0000081800000000, -0.0002147400000000 ] - [ -0.0005248500000000, 0.0004094700000000, 0.0000478100000000 ] - [ 0.0003881200000000, 0.0005236800000000, 0.0000696300000000 ] - [ -0.0004471500000000, -0.0005240400000000, 0.0000152700000000 ] - [ 0.0005612000000000, 0.0004101200000000, -0.0000170500000000 ] - [ -0.0004842000000000, -0.0004253800000000, -0.0000682500000000 ] - [ 0.0004183500000000, -0.0005186700000000, -0.0000457200000000 ] - [ -0.0004164200000000, 0.0005294200000000, -0.0000403300000000 ] - [ 0.0005206200000000, -0.0004262400000000, 0.0000370000000000 ] - [ 0.0005017200000000, -0.0004555700000000, -0.0000025600000000 ] - [ -0.0004229200000000, -0.0005285000000000, -0.0000382200000000 ] - [ 0.0004120000000000, 0.0005168100000000, -0.0000479100000000 ] - [ -0.0005217100000000, -0.0004196600000000, 0.0000394900000000 ] - [ 0.0005264700000000, 0.0004155100000000, 0.0000456900000000 ] - [ -0.0004007600000000, 0.0005141800000000, 0.0000617100000000 ] - [ 0.0004341800000000, -0.0005308600000000, 0.0000234800000000 ] - [ -0.0005457400000000, 0.0003794700000000, -0.0000835800000000 ] - [ 0.0000013600000000, -0.0002990700000000, 0.0000008900000000 ] - [ -0.0004903200000000, -0.0001399900000000, 0.0000805300000000 ] - [ 0.0000968000000000, -0.0001397100000000, -0.0000812100000000 ] - [ 0.0000015100000000, 0.0002896600000000, -0.0000014000000000 ] - [ -0.0000015700000000, 0.0002863800000000, 0.0000035600000000 ] - [ 0.0003683200000000, -0.0000104800000000, 0.0000034900000000 ] - [ -0.0002196100000000, -0.0000112200000000, -0.0000040400000000 ] - [ -0.0000011200000000, -0.0003000100000000, -0.0000042800000000 ] - [ 0.0000058800000000, 0.0000049700000000, -0.0002143100000000 ] - [ -0.0000716300000000, 0.0001832500000000, -0.0002126500000000 ] - [ -0.0000115600000000, 0.0000003500000000, 0.0002135700000000 ] - [ 0.0000614000000000, 0.0000406800000000, 0.0002127000000000 ] - [ 0.0000006500000000, -0.0000008700000000, 0.0002122600000000 ] - [ -0.0003305700000000, -0.0000001300000000, 0.0002135700000000 ] - [ -0.0000008600000000, 0.0000002500000000, -0.0002127000000000 ] - [ 0.0001545800000000, 0.0000079700000000, -0.0002154900000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004908000000000, -0.0000752400000000, 0.0006181500000000 ] - [ -0.0008093300000000, 0.0000447800000000, -0.0010204400000000 ] - [ -0.0006561300000000, 0.0010137700000000, -0.0002459300000000 ] - [ 0.0004131600000000, -0.0001569900000000, -0.0006079300000000 ] - [ -0.0005537000000000, -0.0000014200000000, -0.0006596300000000 ] - [ 0.0107110500000000, 0.0097201200000000, 0.0122021600000000 ] - [ 0.0105520200000000, 0.0086680400000000, -0.0106359100000000 ] - [ 0.0004736300000000, 0.0000805300000000, 0.0006478600000000 ] - [ 0.0014121400000000, 0.0010382100000000, -0.0001233800000000 ] - [ 0.0000443100000000, 0.0002724400000000, 0.0007838800000000 ] - [ -0.0001114200000000, -0.0006928700000000, 0.0004800800000000 ] - [ -0.0008524500000000, 0.0004419200000000, 0.0007501400000000 ] - [ 0.0001151200000000, 0.0002871100000000, 0.0005180900000000 ] - [ 0.0000660400000000, -0.0006184800000000, -0.0004951800000000 ] - [ -0.0000886500000000, 0.0003473600000000, -0.0007732400000000 ] - [ 0.0004497700000000, 0.0008891200000000, -0.0011405700000000 ] - [ -0.0005352600000000, 0.0000370600000000, 0.0005887800000000 ] - [ -0.0000765800000000, -0.0004927700000000, -0.0006308900000000 ] - [ 0.0000780700000000, 0.0004745800000000, -0.0006354900000000 ] - [ 0.0005066200000000, -0.0000478200000000, -0.0006143700000000 ] - [ -0.0004594800000000, 0.0001076500000000, -0.0006522800000000 ] - [ -0.0000879800000000, 0.0004873900000000, 0.0006308300000000 ] - [ 0.0000667700000000, -0.0004796900000000, 0.0006363800000000 ] - [ 0.0004314400000000, 0.0001912800000000, 0.0006794600000000 ] - [ 0.0004510900000000, 0.0000904700000000, -0.0006456600000000 ] - [ 0.0000803100000000, 0.0004908900000000, 0.0006321500000000 ] - [ -0.0000750600000000, -0.0004755900000000, 0.0006355700000000 ] - [ -0.0005639700000000, -0.0000187500000000, 0.0005849000000000 ] - [ 0.0004020600000000, -0.0001742400000000, 0.0006817700000000 ] - [ 0.0000585200000000, -0.0004537000000000, -0.0006202400000000 ] - [ -0.0000964000000000, 0.0005131300000000, -0.0006462600000000 ] - [ -0.0005162200000000, -0.0000641500000000, -0.0006206800000000 ] - [ -0.0004927200000000, 0.0004328700000000, -0.0000238700000000 ] - [ 0.0006478700000000, 0.0004114000000000, -0.0001225900000000 ] - [ -0.0001872900000000, -0.0006355300000000, 0.0002077300000000 ] - [ 0.0004808900000000, 0.0004190800000000, -0.0000504300000000 ] - [ -0.0005633900000000, -0.0004168800000000, -0.0000343200000000 ] - [ 0.0001052300000000, 0.0020737900000000, -0.0037920000000000 ] - [ -0.0007370300000000, 0.0031464100000000, 0.0037478400000000 ] - [ 0.0005515700000000, -0.0004016900000000, 0.0001102200000000 ] - [ 0.0007892500000000, -0.0007808300000000, 0.0001330300000000 ] - [ -0.0003803000000000, -0.0004610000000000, -0.0000506600000000 ] - [ 0.0004559400000000, 0.0005837700000000, -0.0000339400000000 ] - [ -0.0006485400000000, -0.0005744900000000, -0.0002584100000000 ] - [ 0.0003845800000000, 0.0002663900000000, 0.0003271300000000 ] - [ -0.0002558300000000, 0.0013464900000000, 0.0007786400000000 ] - [ 0.0005826900000000, 0.0003237700000000, -0.0007156600000000 ] - [ -0.0002619900000000, 0.0000549500000000, -0.0002155700000000 ] - [ -0.0002012700000000, 0.0000141800000000, -0.0001671300000000 ] - [ -0.0002164800000000, -0.0000462700000000, 0.0000191700000000 ] - [ 0.0003695300000000, -0.0000465400000000, -0.0000198600000000 ] - [ -0.0002091800000000, 0.0006106800000000, 0.0001700200000000 ] - [ 0.0035199500000000, 0.0025750800000000, 0.0004228500000000 ] - [ 0.0002840900000000, -0.0000095100000000, 0.0000150300000000 ] - [ -0.0003028100000000, -0.0000090400000000, -0.0000145500000000 ] - [ 0.0035632000000000, 0.0020197500000000, -0.0004307600000000 ] - [ -0.0282486200000000, -0.0320660200000000, -0.0005073200000000 ] - [ 0.0000635500000000, -0.0000722300000000, -0.0002137900000000 ] - [ 0.0003256000000000, -0.0002549800000000, 0.0002135900000000 ] - [ 0.0000006300000000, -0.0000256700000000, 0.0002126000000000 ] - [ 0.0000332700000000, -0.0000258200000000, 0.0002118900000000 ] - [ 0.0000001400000000, -0.0000075000000000, 0.0002134900000000 ] - [ -0.0000048100000000, 0.0002150900000000, -0.0002114100000000 ] - [ 0.0001749400000000, 0.0001547400000000, -0.0002131000000000 ] - [ -0.0005258700000000, 0.0004135300000000, 0.0000435600000000 ] - [ 0.0004167000000000, 0.0005619900000000, 0.0000676100000000 ] - [ -0.0004186800000000, -0.0004850000000000, 0.0000177000000000 ] - [ 0.0005314700000000, 0.0003945700000000, -0.0000513100000000 ] - [ -0.0005136800000000, -0.0004419900000000, -0.0000334600000000 ] - [ 0.0004249400000000, -0.0005234200000000, -0.0000379900000000 ] - [ -0.0004100900000000, 0.0005242700000000, -0.0000479300000000 ] - [ 0.0005198200000000, -0.0004226100000000, 0.0000408300000000 ] - [ 0.0005268700000000, -0.0004105900000000, -0.0000457900000000 ] - [ -0.0004208000000000, -0.0005231100000000, -0.0000377300000000 ] - [ 0.0004137900000000, 0.0005222500000000, -0.0000486800000000 ] - [ -0.0005180200000000, -0.0004274200000000, 0.0000323200000000 ] - [ 0.0005296300000000, 0.0004079100000000, 0.0000528600000000 ] - [ -0.0003999700000000, 0.0005012500000000, 0.0000747400000000 ] - [ 0.0004341300000000, -0.0005435900000000, 0.0000111600000000 ] - [ -0.0005198300000000, 0.0004244300000000, -0.0000401800000000 ] - [ 0.0000043500000000, -0.0003007100000000, 0.0000030500000000 ] - [ -0.0004269000000000, -0.0000064400000000, -0.0001120000000000 ] - [ 0.0001582100000000, -0.0000073500000000, 0.0001113500000000 ] - [ 0.0000047800000000, 0.0002876100000000, -0.0000038800000000 ] - [ 0.0000006400000000, 0.0002957400000000, -0.0000013200000000 ] - [ 0.0003233600000000, -0.0000407900000000, -0.0000120400000000 ] - [ -0.0002637600000000, -0.0000418800000000, 0.0000105100000000 ] - [ 0.0000010500000000, -0.0002903500000000, 0.0000006400000000 ] - [ 0.0000049800000000, 0.0000028200000000, -0.0002139500000000 ] - [ -0.0000623500000000, 0.0001456800000000, -0.0002137400000000 ] - [ -0.0000002500000000, 0.0000012100000000, 0.0002130600000000 ] - [ 0.0000507500000000, 0.0000613000000000, 0.0002119600000000 ] - [ -0.0000010500000000, -0.0000086500000000, 0.0002118300000000 ] - [ 0.0000001500000000, -0.0003307500000000, 0.0002128900000000 ] - [ -0.0000003300000000, 0.0000011100000000, -0.0002124100000000 ] - [ 0.0001746000000000, 0.0000004300000000, -0.0002136500000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0008377400000000, -0.0001304100000000, 0.0004866800000000 ] - [ -0.0004367200000000, -0.0003589300000000, -0.0006197400000000 ] - [ 0.0004367200000000, 0.0003589300000000, -0.0006197400000000 ] - [ 0.0005266100000000, -0.0000188500000000, -0.0004883300000000 ] - [ -0.0005266100000000, 0.0000188500000000, -0.0004883300000000 ] - [ 0.0150314800000000, 0.0135745500000000, 0.0207109900000000 ] - [ -0.0150314800000000, -0.0135745500000000, 0.0207109900000000 ] - [ 0.0008377400000000, 0.0001304100000000, 0.0004866800000000 ] - [ 0.0003525000000000, 0.0002262300000000, -0.0012683500000000 ] - [ 0.0001452800000000, 0.0004206800000000, 0.0012155200000000 ] - [ -0.0001452800000000, -0.0004206800000000, 0.0012155200000000 ] - [ -0.0004057400000000, -0.0002488300000000, 0.0004581300000000 ] - [ 0.0004057400000000, 0.0002488300000000, 0.0004581300000000 ] - [ 0.0000275400000000, -0.0003334300000000, -0.0003860400000000 ] - [ -0.0000275400000000, 0.0003334300000000, -0.0003860400000000 ] - [ -0.0003525000000000, -0.0002262300000000, -0.0012683500000000 ] - [ -0.0004229000000000, -0.0002148000000000, 0.0004040900000000 ] - [ -0.0001099800000000, -0.0004815000000000, -0.0008579600000000 ] - [ 0.0001099800000000, 0.0004815000000000, -0.0008579600000000 ] - [ 0.0004614700000000, -0.0000983800000000, -0.0008348000000000 ] - [ -0.0004614700000000, 0.0000983800000000, -0.0008348000000000 ] - [ -0.0000575300000000, 0.0005082600000000, 0.0004157200000000 ] - [ 0.0000575300000000, -0.0005082600000000, 0.0004157200000000 ] - [ 0.0004229000000000, 0.0002148000000000, 0.0004040900000000 ] - [ 0.0004352600000000, 0.0001213500000000, -0.0008254100000000 ] - [ 0.0000626800000000, 0.0005025500000000, 0.0004107600000000 ] - [ -0.0000626800000000, -0.0005025500000000, 0.0004107600000000 ] - [ -0.0004055000000000, 0.0000977900000000, 0.0003331200000000 ] - [ 0.0004055000000000, -0.0000977900000000, 0.0003331200000000 ] - [ 0.0000801200000000, -0.0004439600000000, -0.0008505700000000 ] - [ -0.0000801200000000, 0.0004439600000000, -0.0008505700000000 ] - [ -0.0004352600000000, -0.0001213500000000, -0.0008254100000000 ] - [ -0.0005312400000000, 0.0005118600000000, -0.0001318900000000 ] - [ 0.0004308600000000, 0.0004860800000000, 0.0000276300000000 ] - [ -0.0004308600000000, -0.0004860800000000, 0.0000276300000000 ] - [ 0.0004759700000000, 0.0003925900000000, -0.0000921800000000 ] - [ -0.0004759700000000, -0.0003925900000000, -0.0000921800000000 ] - [ 0.0002321300000000, -0.0036574400000000, 0.0025150500000000 ] - [ -0.0002321300000000, 0.0036574400000000, 0.0025150500000000 ] - [ 0.0005312400000000, -0.0005118600000000, -0.0001318900000000 ] - [ 0.0012593300000000, -0.0007077300000000, 0.0004491000000000 ] - [ -0.0003319200000000, -0.0004940600000000, -0.0001817300000000 ] - [ 0.0003319200000000, 0.0004940600000000, -0.0001817300000000 ] - [ -0.0036276700000000, -0.0002382900000000, 0.0025833900000000 ] - [ 0.0036276700000000, 0.0002382900000000, 0.0025833900000000 ] - [ -0.0001374600000000, 0.0013557300000000, 0.0005828400000000 ] - [ 0.0001374600000000, -0.0013557300000000, 0.0005828400000000 ] - [ -0.0012593300000000, 0.0007077300000000, 0.0004491000000000 ] - [ -0.0000644300000000, -0.0003078100000000, -0.0002284600000000 ] - [ -0.0002813300000000, -0.0001193700000000, 0.0001111300000000 ] - [ 0.0002813300000000, 0.0001193700000000, 0.0001111300000000 ] - [ 0.0000644300000000, 0.0003078100000000, -0.0002284600000000 ] - [ 0.0011052800000000, 0.0012010800000000, 0.0001982100000000 ] - [ 0.0003232300000000, -0.0000704300000000, 0.0000968000000000 ] - [ -0.0003232300000000, 0.0000704300000000, 0.0000968000000000 ] - [ -0.0011052800000000, -0.0012010800000000, 0.0001982100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0522606700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000550500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001306500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002297800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000986500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002902900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004629400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000571400000000 ] - [ -0.0005240400000000, 0.0003506800000000, 0.0001420400000000 ] - [ 0.0003348200000000, 0.0005365800000000, 0.0001731800000000 ] - [ -0.0003348200000000, -0.0005365800000000, 0.0001731800000000 ] - [ 0.0005449900000000, 0.0004752100000000, 0.0000701100000000 ] - [ -0.0005449900000000, -0.0004752100000000, 0.0000701100000000 ] - [ 0.0004859700000000, -0.0005317100000000, 0.0000551700000000 ] - [ -0.0004859700000000, 0.0005317100000000, 0.0000551700000000 ] - [ 0.0005240400000000, -0.0003506800000000, 0.0001420400000000 ] - [ 0.0005479300000000, -0.0004839900000000, 0.0000791900000000 ] - [ -0.0004864500000000, -0.0005315800000000, 0.0000584900000000 ] - [ 0.0004864500000000, 0.0005315800000000, 0.0000584900000000 ] - [ -0.0005235500000000, -0.0003460100000000, 0.0001415100000000 ] - [ 0.0005235500000000, 0.0003460100000000, 0.0001415100000000 ] - [ -0.0003615200000000, 0.0005404800000000, 0.0001512000000000 ] - [ 0.0003615200000000, -0.0005404800000000, 0.0001512000000000 ] - [ -0.0005479300000000, 0.0004839900000000, 0.0000791900000000 ] - [ 0.0000832900000000, -0.0002935400000000, 0.0001150600000000 ] - [ -0.0002813000000000, -0.0000582100000000, 0.0001071600000000 ] - [ 0.0002813000000000, 0.0000582100000000, 0.0001071600000000 ] - [ -0.0000832900000000, 0.0002935400000000, 0.0001150600000000 ] - [ 0.0000897000000000, 0.0002955300000000, 0.0001212900000000 ] - [ 0.0003157900000000, 0.0000404200000000, -0.0000605400000000 ] - [ -0.0003157900000000, -0.0000404200000000, -0.0000605400000000 ] - [ -0.0000897000000000, -0.0002955300000000, 0.0001212900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001045700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000480500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003153800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001576700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003129000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004005000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000971800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000541600000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001227200000000, -0.0000206700000000, 0.0007799300000000 ] - [ 0.0002819600000000, -0.0006013400000000, -0.0006586500000000 ] - [ -0.0002819600000000, 0.0006013400000000, -0.0006586500000000 ] - [ 0.0004422000000000, -0.0001342200000000, -0.0007769300000000 ] - [ -0.0004422000000000, 0.0001342200000000, -0.0007769300000000 ] - [ -0.0146856600000000, -0.0121722000000000, -0.0191289800000000 ] - [ 0.0146856600000000, 0.0121722000000000, -0.0191289800000000 ] - [ 0.0001227200000000, 0.0000206700000000, 0.0007799300000000 ] - [ 0.0006176200000000, -0.0000750600000000, 0.0000079600000000 ] - [ 0.0000055800000000, 0.0005502100000000, 0.0000477500000000 ] - [ -0.0000055800000000, -0.0005502100000000, 0.0000477500000000 ] - [ -0.0005671500000000, 0.0004106600000000, 0.0008082200000000 ] - [ 0.0005671500000000, -0.0004106600000000, 0.0008082200000000 ] - [ 0.0001281200000000, -0.0006382300000000, -0.0008859400000000 ] - [ -0.0001281200000000, 0.0006382300000000, -0.0008859400000000 ] - [ -0.0006176200000000, 0.0000750600000000, 0.0000079600000000 ] - [ -0.0005456900000000, 0.0000618300000000, 0.0008629000000000 ] - [ -0.0000423400000000, -0.0004881700000000, -0.0004051500000000 ] - [ 0.0000423400000000, 0.0004881700000000, -0.0004051500000000 ] - [ 0.0005077800000000, -0.0000542800000000, -0.0004287400000000 ] - [ -0.0005077800000000, 0.0000542800000000, -0.0004287400000000 ] - [ -0.0000951700000000, 0.0004608900000000, 0.0008516100000000 ] - [ 0.0000951700000000, -0.0004608900000000, 0.0008516100000000 ] - [ 0.0005456900000000, -0.0000618300000000, 0.0008629000000000 ] - [ 0.0005349700000000, 0.0000305200000000, -0.0004384900000000 ] - [ 0.0000903600000000, 0.0004664400000000, 0.0008567800000000 ] - [ -0.0000903600000000, -0.0004664400000000, 0.0008567800000000 ] - [ -0.0005628500000000, 0.0000557400000000, 0.0009343700000000 ] - [ 0.0005628500000000, -0.0000557400000000, 0.0009343700000000 ] - [ 0.0000727900000000, -0.0005251500000000, -0.0004131300000000 ] - [ -0.0000727900000000, 0.0005251500000000, -0.0004131300000000 ] - [ -0.0005349700000000, -0.0000305200000000, -0.0004384900000000 ] - [ -0.0005181700000000, 0.0003243700000000, 0.0002158300000000 ] - [ 0.0004011800000000, 0.0005677200000000, 0.0000606300000000 ] - [ -0.0004011800000000, -0.0005677200000000, 0.0000606300000000 ] - [ 0.0005781800000000, 0.0004437400000000, 0.0000102100000000 ] - [ -0.0005781800000000, -0.0004437400000000, 0.0000102100000000 ] - [ 0.0006066300000000, 0.0025670700000000, -0.0025769000000000 ] - [ -0.0006066300000000, -0.0025670700000000, -0.0025769000000000 ] - [ 0.0005181700000000, -0.0003243700000000, 0.0002158300000000 ] - [ -0.0002281600000000, -0.0001209000000000, -0.0005450000000000 ] - [ -0.0005012000000000, -0.0005550100000000, 0.0000951100000000 ] - [ 0.0005012000000000, 0.0005550100000000, 0.0000951100000000 ] - [ 0.0025388700000000, -0.0005877900000000, -0.0024753800000000 ] - [ -0.0025388700000000, 0.0005877900000000, -0.0024753800000000 ] - [ -0.0007008300000000, -0.0003264900000000, -0.0005077300000000 ] - [ 0.0007008300000000, 0.0003264900000000, -0.0005077300000000 ] - [ 0.0002281600000000, 0.0001209000000000, -0.0005450000000000 ] - [ 0.0000657500000000, -0.0002780000000000, 0.0002307500000000 ] - [ -0.0003049500000000, 0.0001201400000000, -0.0001111200000000 ] - [ 0.0003049500000000, -0.0001201400000000, -0.0001111200000000 ] - [ -0.0000657500000000, 0.0002780000000000, 0.0002307500000000 ] - [ -0.0010755000000000, -0.0005965500000000, -0.0001815400000000 ] - [ 0.0002611200000000, 0.0000728400000000, -0.0000995400000000 ] - [ -0.0002611200000000, -0.0000728400000000, -0.0000995400000000 ] - [ 0.0010755000000000, 0.0005965500000000, -0.0001815400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0511385700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004805800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003039900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001994500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003338800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001409600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000360600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004880500000000 ] - [ -0.0005246600000000, 0.0004842900000000, -0.0000573100000000 ] - [ 0.0004999800000000, 0.0005140000000000, -0.0000885700000000 ] - [ -0.0004999800000000, -0.0005140000000000, -0.0000885700000000 ] - [ 0.0005029900000000, 0.0003567500000000, -0.0001584900000000 ] - [ -0.0005029900000000, -0.0003567500000000, -0.0001584900000000 ] - [ 0.0003483900000000, -0.0005202800000000, -0.0001409900000000 ] - [ -0.0003483900000000, 0.0005202800000000, -0.0001409900000000 ] - [ 0.0005246600000000, -0.0004842900000000, -0.0000573100000000 ] - [ 0.0005023900000000, -0.0003502400000000, -0.0001656000000000 ] - [ -0.0003479400000000, -0.0005168600000000, -0.0001446100000000 ] - [ 0.0003479400000000, 0.0005168600000000, -0.0001446100000000 ] - [ -0.0005283000000000, -0.0004885200000000, -0.0000565000000000 ] - [ 0.0005283000000000, 0.0004885200000000, -0.0000565000000000 ] - [ -0.0004760800000000, 0.0005077100000000, -0.0000693800000000 ] - [ 0.0004760800000000, -0.0005077100000000, -0.0000693800000000 ] - [ -0.0005023900000000, 0.0003502400000000, -0.0001656000000000 ] - [ -0.0000827500000000, -0.0002918800000000, -0.0001150200000000 ] - [ -0.0003046900000000, 0.0000607800000000, -0.0001103100000000 ] - [ 0.0003046900000000, -0.0000607800000000, -0.0001103100000000 ] - [ 0.0000827500000000, 0.0002918800000000, -0.0001150200000000 ] - [ -0.0000917700000000, 0.0002896100000000, -0.0001237800000000 ] - [ 0.0002707000000000, -0.0000423600000000, 0.0000621000000000 ] - [ -0.0002707000000000, 0.0000423600000000, 0.0000621000000000 ] - [ 0.0000917700000000, -0.0002896100000000, -0.0001237800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003288000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004858700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001137800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002731200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001173500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000276400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003327300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004894900000000 ]