# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/9ddede6e-a6ab-476f-ad8c-971df629f614/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 Sr5As3H / P6_3/mcm (193) / materials id 24338](https://mdr.nims.go.jp/datasets/b5055d1a-eecf-4f9a-bc93-d8112545c79f) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P6_3/mcm" number: 193 Hall_symbol: "-P 6c 2"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 8.881931430000000, 0.000000000000000, 0.000000000000000 ] # a - [ -4.440965710000000, 7.691978250000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.985003610000000 ] # c points: - symbol: H # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 1.007940 - symbol: H # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 1.007940 - symbol: As # 3 coordinates: [ 0.392436700000000, 0.000000000000000, 0.250000000000000 ] mass: 74.921600 - symbol: As # 4 coordinates: [ 0.000000000000000, 0.607563300000000, 0.750000000000000 ] mass: 74.921600 - symbol: As # 5 coordinates: [ 0.392436700000000, 0.392436700000000, 0.750000000000000 ] mass: 74.921600 - symbol: As # 6 coordinates: [ 0.607563300000000, 0.607563300000000, 0.250000000000000 ] mass: 74.921600 - symbol: As # 7 coordinates: [ 0.000000000000000, 0.392436700000000, 0.250000000000000 ] mass: 74.921600 - symbol: As # 8 coordinates: [ 0.607563300000000, 0.000000000000000, 0.750000000000000 ] mass: 74.921600 - symbol: Sr # 9 coordinates: [ 0.000000000000000, 0.248426380000000, 0.750000000000000 ] mass: 87.620000 - symbol: Sr # 10 coordinates: [ 0.751573620000000, 0.000000000000000, 0.250000000000000 ] mass: 87.620000 - symbol: Sr # 11 coordinates: [ 0.751573620000000, 0.751573620000000, 0.750000000000000 ] mass: 87.620000 - symbol: Sr # 12 coordinates: [ 0.248426380000000, 0.248426380000000, 0.250000000000000 ] mass: 87.620000 - symbol: Sr # 13 coordinates: [ 0.000000000000000, 0.751573620000000, 0.250000000000000 ] mass: 87.620000 - symbol: Sr # 14 coordinates: [ 0.248426380000000, 0.000000000000000, 0.750000000000000 ] mass: 87.620000 - symbol: Sr # 15 coordinates: [ 0.666666670000000, 0.333333330000000, 0.500000000000000 ] mass: 87.620000 - symbol: Sr # 16 coordinates: [ 0.333333330000000, 0.666666670000000, 0.000000000000000 ] mass: 87.620000 - symbol: Sr # 17 coordinates: [ 0.333333330000000, 0.666666670000000, 0.500000000000000 ] mass: 87.620000 - symbol: Sr # 18 coordinates: [ 0.666666670000000, 0.333333330000000, 0.000000000000000 ] mass: 87.620000 reciprocal_lattice: # without 2pi - [ 0.112588124315209, 0.065002783833542, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.130005567813456, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.143163848701289 ] # c*unit_cell: lattice: - [ 8.881931430000000, 0.000000000000000, 0.000000000000000 ] # a - [ -4.440965710000000, 7.691978250000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.985003610000000 ] # c points: - symbol: H # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 1.007940 reduced_to: 2 - symbol: As # 3 coordinates: [ 0.392436700000000, 0.000000000000000, 0.250000000000000 ] mass: 74.921600 reduced_to: 3 - symbol: As # 4 coordinates: [ 0.000000000000000, 0.607563300000000, 0.750000000000000 ] mass: 74.921600 reduced_to: 4 - symbol: As # 5 coordinates: [ 0.392436700000000, 0.392436700000000, 0.750000000000000 ] mass: 74.921600 reduced_to: 5 - symbol: As # 6 coordinates: [ 0.607563300000000, 0.607563300000000, 0.250000000000000 ] mass: 74.921600 reduced_to: 6 - symbol: As # 7 coordinates: [ 0.000000000000000, 0.392436700000000, 0.250000000000000 ] mass: 74.921600 reduced_to: 7 - symbol: As # 8 coordinates: [ 0.607563300000000, 0.000000000000000, 0.750000000000000 ] mass: 74.921600 reduced_to: 8 - symbol: Sr # 9 coordinates: [ 0.000000000000000, 0.248426380000000, 0.750000000000000 ] mass: 87.620000 reduced_to: 9 - symbol: Sr # 10 coordinates: [ 0.751573620000000, 0.000000000000000, 0.250000000000000 ] mass: 87.620000 reduced_to: 10 - symbol: Sr # 11 coordinates: [ 0.751573620000000, 0.751573620000000, 0.750000000000000 ] mass: 87.620000 reduced_to: 11 - symbol: Sr # 12 coordinates: [ 0.248426380000000, 0.248426380000000, 0.250000000000000 ] mass: 87.620000 reduced_to: 12 - symbol: Sr # 13 coordinates: [ 0.000000000000000, 0.751573620000000, 0.250000000000000 ] mass: 87.620000 reduced_to: 13 - symbol: Sr # 14 coordinates: [ 0.248426380000000, 0.000000000000000, 0.750000000000000 ] mass: 87.620000 reduced_to: 14 - symbol: Sr # 15 coordinates: [ 0.666666670000000, 0.333333330000000, 0.500000000000000 ] mass: 87.620000 reduced_to: 15 - symbol: Sr # 16 coordinates: [ 0.333333330000000, 0.666666670000000, 0.000000000000000 ] mass: 87.620000 reduced_to: 16 - symbol: Sr # 17 coordinates: [ 0.333333330000000, 0.666666670000000, 0.500000000000000 ] mass: 87.620000 reduced_to: 17 - symbol: Sr # 18 coordinates: [ 0.666666670000000, 0.333333330000000, 0.000000000000000 ] mass: 87.620000 reduced_to: 18supercell: lattice: - [ 17.763862860000000, 0.000000000000000, 0.000000000000000 ] # a - [ -8.881931420000001, 15.383956500000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.970007219999999 ] # c points: - symbol: H # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 2 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 3 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 4 coordinates: [ 0.500000000000000, 0.500000000000000, 0.250000000000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 6 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 7 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 8 coordinates: [ 0.500000000000000, 0.500000000000000, 0.750000000000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 10 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 11 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 12 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 14 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 15 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 16 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 1.007940 reduced_to: 9 - symbol: As # 17 coordinates: [ 0.196218350000000, 0.000000000000000, 0.125000000000000 ] mass: 74.921600 reduced_to: 17 - symbol: As # 18 coordinates: [ 0.696218350000000, 0.000000000000000, 0.125000000000000 ] mass: 74.921600 reduced_to: 17 - symbol: As # 19 coordinates: [ 0.196218350000000, 0.500000000000000, 0.125000000000000 ] mass: 74.921600 reduced_to: 17 - symbol: As # 20 coordinates: [ 0.696218350000000, 0.500000000000000, 0.125000000000000 ] mass: 74.921600 reduced_to: 17 - symbol: As # 21 coordinates: [ 0.196218350000000, 0.000000000000000, 0.625000000000000 ] mass: 74.921600 reduced_to: 17 - symbol: As # 22 coordinates: [ 0.696218350000000, 0.000000000000000, 0.625000000000000 ] mass: 74.921600 reduced_to: 17 - symbol: As # 23 coordinates: [ 0.196218350000000, 0.500000000000000, 0.625000000000000 ] mass: 74.921600 reduced_to: 17 - symbol: As # 24 coordinates: [ 0.696218350000000, 0.500000000000000, 0.625000000000000 ] mass: 74.921600 reduced_to: 17 - symbol: As # 25 coordinates: [ 0.000000000000000, 0.303781650000000, 0.375000000000000 ] mass: 74.921600 reduced_to: 25 - symbol: As # 26 coordinates: [ 0.500000000000000, 0.303781650000000, 0.375000000000000 ] mass: 74.921600 reduced_to: 25 - symbol: As # 27 coordinates: [ 0.000000000000000, 0.803781650000000, 0.375000000000000 ] mass: 74.921600 reduced_to: 25 - symbol: As # 28 coordinates: [ 0.500000000000000, 0.803781650000000, 0.375000000000000 ] mass: 74.921600 reduced_to: 25 - symbol: As # 29 coordinates: [ 0.000000000000000, 0.303781650000000, 0.875000000000000 ] mass: 74.921600 reduced_to: 25 - symbol: As # 30 coordinates: [ 0.500000000000000, 0.303781650000000, 0.875000000000000 ] mass: 74.921600 reduced_to: 25 - symbol: As # 31 coordinates: [ 0.000000000000000, 0.803781650000000, 0.875000000000000 ] mass: 74.921600 reduced_to: 25 - symbol: As # 32 coordinates: [ 0.500000000000000, 0.803781650000000, 0.875000000000000 ] mass: 74.921600 reduced_to: 25 - symbol: As # 33 coordinates: [ 0.196218350000000, 0.196218350000000, 0.375000000000000 ] mass: 74.921600 reduced_to: 33 - symbol: As # 34 coordinates: [ 0.696218350000000, 0.196218350000000, 0.375000000000000 ] mass: 74.921600 reduced_to: 33 - symbol: As # 35 coordinates: [ 0.196218350000000, 0.696218350000000, 0.375000000000000 ] mass: 74.921600 reduced_to: 33 - symbol: As # 36 coordinates: [ 0.696218350000000, 0.696218350000000, 0.375000000000000 ] mass: 74.921600 reduced_to: 33 - symbol: As # 37 coordinates: [ 0.196218350000000, 0.196218350000000, 0.875000000000000 ] mass: 74.921600 reduced_to: 33 - symbol: As # 38 coordinates: [ 0.696218350000000, 0.196218350000000, 0.875000000000000 ] mass: 74.921600 reduced_to: 33 - symbol: As # 39 coordinates: [ 0.196218350000000, 0.696218350000000, 0.875000000000000 ] mass: 74.921600 reduced_to: 33 - symbol: As # 40 coordinates: [ 0.696218350000000, 0.696218350000000, 0.875000000000000 ] mass: 74.921600 reduced_to: 33 - symbol: As # 41 coordinates: [ 0.303781650000000, 0.303781650000000, 0.125000000000000 ] mass: 74.921600 reduced_to: 41 - symbol: As # 42 coordinates: [ 0.803781650000000, 0.303781650000000, 0.125000000000000 ] mass: 74.921600 reduced_to: 41 - symbol: As # 43 coordinates: [ 0.303781650000000, 0.803781650000000, 0.125000000000000 ] mass: 74.921600 reduced_to: 41 - symbol: As # 44 coordinates: [ 0.803781650000000, 0.803781650000000, 0.125000000000000 ] mass: 74.921600 reduced_to: 41 - symbol: As # 45 coordinates: [ 0.303781650000000, 0.303781650000000, 0.625000000000000 ] mass: 74.921600 reduced_to: 41 - symbol: As # 46 coordinates: [ 0.803781650000000, 0.303781650000000, 0.625000000000000 ] mass: 74.921600 reduced_to: 41 - symbol: As # 47 coordinates: [ 0.303781650000000, 0.803781650000000, 0.625000000000000 ] mass: 74.921600 reduced_to: 41 - symbol: As # 48 coordinates: [ 0.803781650000000, 0.803781650000000, 0.625000000000000 ] mass: 74.921600 reduced_to: 41 - symbol: As # 49 coordinates: [ 0.000000000000000, 0.196218350000000, 0.125000000000000 ] mass: 74.921600 reduced_to: 49 - symbol: As # 50 coordinates: [ 0.500000000000000, 0.196218350000000, 0.125000000000000 ] mass: 74.921600 reduced_to: 49 - symbol: As # 51 coordinates: [ 0.000000000000000, 0.696218350000000, 0.125000000000000 ] mass: 74.921600 reduced_to: 49 - symbol: As # 52 coordinates: [ 0.500000000000000, 0.696218350000000, 0.125000000000000 ] mass: 74.921600 reduced_to: 49 - symbol: As # 53 coordinates: [ 0.000000000000000, 0.196218350000000, 0.625000000000000 ] mass: 74.921600 reduced_to: 49 - symbol: As # 54 coordinates: [ 0.500000000000000, 0.196218350000000, 0.625000000000000 ] mass: 74.921600 reduced_to: 49 - symbol: As # 55 coordinates: [ 0.000000000000000, 0.696218350000000, 0.625000000000000 ] mass: 74.921600 reduced_to: 49 - symbol: As # 56 coordinates: [ 0.500000000000000, 0.696218350000000, 0.625000000000000 ] mass: 74.921600 reduced_to: 49 - symbol: As # 57 coordinates: [ 0.303781650000000, 0.000000000000000, 0.375000000000000 ] mass: 74.921600 reduced_to: 57 - symbol: As # 58 coordinates: [ 0.803781650000000, 0.000000000000000, 0.375000000000000 ] mass: 74.921600 reduced_to: 57 - symbol: As # 59 coordinates: [ 0.303781650000000, 0.500000000000000, 0.375000000000000 ] mass: 74.921600 reduced_to: 57 - symbol: As # 60 coordinates: [ 0.803781650000000, 0.500000000000000, 0.375000000000000 ] mass: 74.921600 reduced_to: 57 - symbol: As # 61 coordinates: [ 0.303781650000000, 0.000000000000000, 0.875000000000000 ] mass: 74.921600 reduced_to: 57 - symbol: As # 62 coordinates: [ 0.803781650000000, 0.000000000000000, 0.875000000000000 ] mass: 74.921600 reduced_to: 57 - symbol: As # 63 coordinates: [ 0.303781650000000, 0.500000000000000, 0.875000000000000 ] mass: 74.921600 reduced_to: 57 - symbol: As # 64 coordinates: [ 0.803781650000000, 0.500000000000000, 0.875000000000000 ] mass: 74.921600 reduced_to: 57 - symbol: Sr # 65 coordinates: [ 0.000000000000000, 0.124213190000000, 0.375000000000000 ] mass: 87.620000 reduced_to: 65 - symbol: Sr # 66 coordinates: [ 0.500000000000000, 0.124213190000000, 0.375000000000000 ] mass: 87.620000 reduced_to: 65 - symbol: Sr # 67 coordinates: [ 0.000000000000000, 0.624213190000000, 0.375000000000000 ] mass: 87.620000 reduced_to: 65 - symbol: Sr # 68 coordinates: [ 0.500000000000000, 0.624213190000000, 0.375000000000000 ] mass: 87.620000 reduced_to: 65 - symbol: Sr # 69 coordinates: [ 0.000000000000000, 0.124213190000000, 0.875000000000000 ] mass: 87.620000 reduced_to: 65 - symbol: Sr # 70 coordinates: [ 0.500000000000000, 0.124213190000000, 0.875000000000000 ] mass: 87.620000 reduced_to: 65 - symbol: Sr # 71 coordinates: [ 0.000000000000000, 0.624213190000000, 0.875000000000000 ] mass: 87.620000 reduced_to: 65 - symbol: Sr # 72 coordinates: [ 0.500000000000000, 0.624213190000000, 0.875000000000000 ] mass: 87.620000 reduced_to: 65 - symbol: Sr # 73 coordinates: [ 0.375786810000000, 0.000000000000000, 0.125000000000000 ] mass: 87.620000 reduced_to: 73 - symbol: Sr # 74 coordinates: [ 0.875786810000000, 0.000000000000000, 0.125000000000000 ] mass: 87.620000 reduced_to: 73 - symbol: Sr # 75 coordinates: [ 0.375786810000000, 0.500000000000000, 0.125000000000000 ] mass: 87.620000 reduced_to: 73 - symbol: Sr # 76 coordinates: [ 0.875786810000000, 0.500000000000000, 0.125000000000000 ] mass: 87.620000 reduced_to: 73 - symbol: Sr # 77 coordinates: [ 0.375786810000000, 0.000000000000000, 0.625000000000000 ] mass: 87.620000 reduced_to: 73 - symbol: Sr # 78 coordinates: [ 0.875786810000000, 0.000000000000000, 0.625000000000000 ] mass: 87.620000 reduced_to: 73 - symbol: Sr # 79 coordinates: [ 0.375786810000000, 0.500000000000000, 0.625000000000000 ] mass: 87.620000 reduced_to: 73 - symbol: Sr # 80 coordinates: [ 0.875786810000000, 0.500000000000000, 0.625000000000000 ] mass: 87.620000 reduced_to: 73 - symbol: Sr # 81 coordinates: [ 0.375786810000000, 0.375786810000000, 0.375000000000000 ] mass: 87.620000 reduced_to: 81 - symbol: Sr # 82 coordinates: [ 0.875786810000000, 0.375786810000000, 0.375000000000000 ] mass: 87.620000 reduced_to: 81 - symbol: Sr # 83 coordinates: [ 0.375786810000000, 0.875786810000000, 0.375000000000000 ] mass: 87.620000 reduced_to: 81 - symbol: Sr # 84 coordinates: [ 0.875786810000000, 0.875786810000000, 0.375000000000000 ] mass: 87.620000 reduced_to: 81 - symbol: Sr # 85 coordinates: [ 0.375786810000000, 0.375786810000000, 0.875000000000000 ] mass: 87.620000 reduced_to: 81 - symbol: Sr # 86 coordinates: [ 0.875786810000000, 0.375786810000000, 0.875000000000000 ] mass: 87.620000 reduced_to: 81 - symbol: Sr # 87 coordinates: [ 0.375786810000000, 0.875786810000000, 0.875000000000000 ] mass: 87.620000 reduced_to: 81 - symbol: Sr # 88 coordinates: [ 0.875786810000000, 0.875786810000000, 0.875000000000000 ] mass: 87.620000 reduced_to: 81 - symbol: Sr # 89 coordinates: [ 0.124213190000000, 0.124213190000000, 0.125000000000000 ] mass: 87.620000 reduced_to: 89 - symbol: Sr # 90 coordinates: [ 0.624213190000000, 0.124213190000000, 0.125000000000000 ] mass: 87.620000 reduced_to: 89 - symbol: Sr # 91 coordinates: [ 0.124213190000000, 0.624213190000000, 0.125000000000000 ] mass: 87.620000 reduced_to: 89 - symbol: Sr # 92 coordinates: [ 0.624213190000000, 0.624213190000000, 0.125000000000000 ] mass: 87.620000 reduced_to: 89 - symbol: Sr # 93 coordinates: [ 0.124213190000000, 0.124213190000000, 0.625000000000000 ] mass: 87.620000 reduced_to: 89 - symbol: Sr # 94 coordinates: [ 0.624213190000000, 0.124213190000000, 0.625000000000000 ] mass: 87.620000 reduced_to: 89 - symbol: Sr # 95 coordinates: [ 0.124213190000000, 0.624213190000000, 0.625000000000000 ] mass: 87.620000 reduced_to: 89 - symbol: Sr # 96 coordinates: [ 0.624213190000000, 0.624213190000000, 0.625000000000000 ] mass: 87.620000 reduced_to: 89 - symbol: Sr # 97 coordinates: [ 0.000000000000000, 0.375786810000000, 0.125000000000000 ] mass: 87.620000 reduced_to: 97 - symbol: Sr # 98 coordinates: [ 0.500000000000000, 0.375786810000000, 0.125000000000000 ] mass: 87.620000 reduced_to: 97 - symbol: Sr # 99 coordinates: [ 0.000000000000000, 0.875786810000000, 0.125000000000000 ] mass: 87.620000 reduced_to: 97 - symbol: Sr # 100 coordinates: [ 0.500000000000000, 0.875786810000000, 0.125000000000000 ] mass: 87.620000 reduced_to: 97 - symbol: Sr # 101 coordinates: [ 0.000000000000000, 0.375786810000000, 0.625000000000000 ] mass: 87.620000 reduced_to: 97 - symbol: Sr # 102 coordinates: [ 0.500000000000000, 0.375786810000000, 0.625000000000000 ] mass: 87.620000 reduced_to: 97 - symbol: Sr # 103 coordinates: [ 0.000000000000000, 0.875786810000000, 0.625000000000000 ] mass: 87.620000 reduced_to: 97 - symbol: Sr # 104 coordinates: [ 0.500000000000000, 0.875786810000000, 0.625000000000000 ] mass: 87.620000 reduced_to: 97 - symbol: Sr # 105 coordinates: [ 0.124213190000000, 0.000000000000000, 0.375000000000000 ] mass: 87.620000 reduced_to: 105 - symbol: Sr # 106 coordinates: [ 0.624213190000000, 0.000000000000000, 0.375000000000000 ] mass: 87.620000 reduced_to: 105 - symbol: Sr # 107 coordinates: [ 0.124213190000000, 0.500000000000000, 0.375000000000000 ] mass: 87.620000 reduced_to: 105 - symbol: Sr # 108 coordinates: [ 0.624213190000000, 0.500000000000000, 0.375000000000000 ] mass: 87.620000 reduced_to: 105 - symbol: Sr # 109 coordinates: [ 0.124213190000000, 0.000000000000000, 0.875000000000000 ] mass: 87.620000 reduced_to: 105 - symbol: Sr # 110 coordinates: [ 0.624213190000000, 0.000000000000000, 0.875000000000000 ] mass: 87.620000 reduced_to: 105 - symbol: Sr # 111 coordinates: [ 0.124213190000000, 0.500000000000000, 0.875000000000000 ] mass: 87.620000 reduced_to: 105 - symbol: Sr # 112 coordinates: [ 0.624213190000000, 0.500000000000000, 0.875000000000000 ] mass: 87.620000 reduced_to: 105 - symbol: Sr # 113 coordinates: [ 0.333333335000000, 0.166666665000000, 0.250000000000000 ] mass: 87.620000 reduced_to: 113 - symbol: Sr # 114 coordinates: [ 0.833333335000000, 0.166666665000000, 0.250000000000000 ] mass: 87.620000 reduced_to: 113 - symbol: Sr # 115 coordinates: [ 0.333333335000000, 0.666666665000000, 0.250000000000000 ] mass: 87.620000 reduced_to: 113 - symbol: Sr # 116 coordinates: [ 0.833333335000000, 0.666666665000000, 0.250000000000000 ] mass: 87.620000 reduced_to: 113 - symbol: Sr # 117 coordinates: [ 0.333333335000000, 0.166666665000000, 0.750000000000000 ] mass: 87.620000 reduced_to: 113 - symbol: Sr # 118 coordinates: [ 0.833333335000000, 0.166666665000000, 0.750000000000000 ] mass: 87.620000 reduced_to: 113 - symbol: Sr # 119 coordinates: [ 0.333333335000000, 0.666666665000000, 0.750000000000000 ] mass: 87.620000 reduced_to: 113 - symbol: Sr # 120 coordinates: [ 0.833333335000000, 0.666666665000000, 0.750000000000000 ] mass: 87.620000 reduced_to: 113 - symbol: Sr # 121 coordinates: [ 0.166666665000000, 0.333333335000000, 0.000000000000000 ] mass: 87.620000 reduced_to: 121 - symbol: Sr # 122 coordinates: [ 0.666666665000000, 0.333333335000000, 0.000000000000000 ] mass: 87.620000 reduced_to: 121 - symbol: Sr # 123 coordinates: [ 0.166666665000000, 0.833333335000000, 0.000000000000000 ] mass: 87.620000 reduced_to: 121 - symbol: Sr # 124 coordinates: [ 0.666666665000000, 0.833333335000000, 0.000000000000000 ] mass: 87.620000 reduced_to: 121 - symbol: Sr # 125 coordinates: [ 0.166666665000000, 0.333333335000000, 0.500000000000000 ] mass: 87.620000 reduced_to: 121 - symbol: Sr # 126 coordinates: [ 0.666666665000000, 0.333333335000000, 0.500000000000000 ] mass: 87.620000 reduced_to: 121 - symbol: Sr # 127 coordinates: [ 0.166666665000000, 0.833333335000000, 0.500000000000000 ] mass: 87.620000 reduced_to: 121 - symbol: Sr # 128 coordinates: [ 0.666666665000000, 0.833333335000000, 0.500000000000000 ] mass: 87.620000 reduced_to: 121 - symbol: Sr # 129 coordinates: [ 0.166666665000000, 0.333333335000000, 0.250000000000000 ] mass: 87.620000 reduced_to: 129 - symbol: Sr # 130 coordinates: [ 0.666666665000000, 0.333333335000000, 0.250000000000000 ] mass: 87.620000 reduced_to: 129 - symbol: Sr # 131 coordinates: [ 0.166666665000000, 0.833333335000000, 0.250000000000000 ] mass: 87.620000 reduced_to: 129 - symbol: Sr # 132 coordinates: [ 0.666666665000000, 0.833333335000000, 0.250000000000000 ] mass: 87.620000 reduced_to: 129 - symbol: Sr # 133 coordinates: [ 0.166666665000000, 0.333333335000000, 0.750000000000000 ] mass: 87.620000 reduced_to: 129 - symbol: Sr # 134 coordinates: [ 0.666666665000000, 0.333333335000000, 0.750000000000000 ] mass: 87.620000 reduced_to: 129 - symbol: Sr # 135 coordinates: [ 0.166666665000000, 0.833333335000000, 0.750000000000000 ] mass: 87.620000 reduced_to: 129 - symbol: Sr # 136 coordinates: [ 0.666666665000000, 0.833333335000000, 0.750000000000000 ] mass: 87.620000 reduced_to: 129 - symbol: Sr # 137 coordinates: [ 0.333333335000000, 0.166666665000000, 0.000000000000000 ] mass: 87.620000 reduced_to: 137 - symbol: Sr # 138 coordinates: [ 0.833333335000000, 0.166666665000000, 0.000000000000000 ] mass: 87.620000 reduced_to: 137 - symbol: Sr # 139 coordinates: [ 0.333333335000000, 0.666666665000000, 0.000000000000000 ] mass: 87.620000 reduced_to: 137 - symbol: Sr # 140 coordinates: [ 0.833333335000000, 0.666666665000000, 0.000000000000000 ] mass: 87.620000 reduced_to: 137 - symbol: Sr # 141 coordinates: [ 0.333333335000000, 0.166666665000000, 0.500000000000000 ] mass: 87.620000 reduced_to: 137 - symbol: Sr # 142 coordinates: [ 0.833333335000000, 0.166666665000000, 0.500000000000000 ] mass: 87.620000 reduced_to: 137 - symbol: Sr # 143 coordinates: [ 0.333333335000000, 0.666666665000000, 0.500000000000000 ] mass: 87.620000 reduced_to: 137 - symbol: Sr # 144 coordinates: [ 0.833333335000000, 0.666666665000000, 0.500000000000000 ] mass: 87.620000 reduced_to: 137born_effective_charge:- # 1 (H) - [ -1.295123090000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.295123090000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.166513130000000 ]- # 2 (H) - [ -1.295123090000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.295123090000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.166513130000000 ]- # 3 (As) - [ -3.075604750000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -3.804144860000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -3.181433290000000 ]- # 4 (As) - [ -3.622009832500000, -0.315467121697986, 0.000000000000000 ] - [ -0.315467121237924, -3.257739777500000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -3.181433290000000 ]- # 5 (As) - [ -3.622009832500000, 0.315467120987629, 0.000000000000000 ] - [ 0.315467121948280, -3.257739777500000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -3.181433290000000 ]- # 6 (As) - [ -3.622009832500000, 0.315467120987629, 0.000000000000000 ] - [ 0.315467121948280, -3.257739777500000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -3.181433290000000 ]- # 7 (As) - [ -3.622009832500000, -0.315467121697986, 0.000000000000000 ] - [ -0.315467121237924, -3.257739777500000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -3.181433290000000 ]- # 8 (As) - [ -3.075604750000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -3.804144860000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -3.181433290000000 ]- # 9 (Sr) - [ 2.429708550000000, 0.282211580000000, 0.000000000000000 ] - [ 0.282211580000000, 2.103838680000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.976279790000000 ]- # 10 (Sr) - [ 1.940903749977856, 0.000000002668184, 0.000000000000000 ] - [ 0.000000003079748, 2.592643480022145, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.976279790000000 ]- # 11 (Sr) - [ 2.429708545022145, -0.282211582650057, 0.000000000000000 ] - [ -0.282211583097876, 2.103838684977855, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.976279790000000 ]- # 12 (Sr) - [ 2.429708545022145, -0.282211582650057, 0.000000000000000 ] - [ -0.282211583097876, 2.103838684977855, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.976279790000000 ]- # 13 (Sr) - [ 2.429708550000000, 0.282211580000000, 0.000000000000000 ] - [ 0.282211580000000, 2.103838680000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.976279790000000 ]- # 14 (Sr) - [ 1.940903749977856, 0.000000002668184, 0.000000000000000 ] - [ 0.000000003079748, 2.592643480022145, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.976279790000000 ]- # 15 (Sr) - [ 2.407213330000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.407213330000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.390986820000000 ]- # 16 (Sr) - [ 2.407213330000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.407213330000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.390986820000000 ]- # 17 (Sr) - [ 2.407213330000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.407213330000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.390986820000000 ]- # 18 (Sr) - [ 2.407213330000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.407213330000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.390986820000000 ]dielectric_constant: - [ 9.326116239999999, -0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 9.326116239999999, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 12.103535170000001 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0130083700000000, 0.0000000000000000, -0.0000009400000000 ] - [ 0.0002033200000000, 0.0000000000000000, 0.0000560000000000 ] - [ 0.0000348500000000, -0.0000972500000000, -0.0000280400000000 ] - [ 0.0000348500000000, 0.0000972500000000, -0.0000280400000000 ] - [ -0.0001140300000000, 0.0000000000000000, -0.0000000300000000 ] - [ 0.0001002200000000, 0.0000000000000000, -0.0000103400000000 ] - [ 0.0000099400000000, -0.0000521600000000, 0.0000051800000000 ] - [ 0.0000099400000000, 0.0000521600000000, 0.0000051800000000 ] - [ -0.0003754500000000, 0.0000000000000000, 0.0000024400000000 ] - [ 0.0001253300000000, 0.0000000000000000, -0.0000115900000000 ] - [ 0.0000171000000000, -0.0000624600000000, 0.0000058800000000 ] - [ 0.0000171000000000, 0.0000624600000000, 0.0000058800000000 ] - [ -0.0003760000000000, 0.0000000000000000, -0.0000023600000000 ] - [ 0.0001253100000000, 0.0000000000000000, -0.0000115400000000 ] - [ 0.0000171200000000, -0.0000624900000000, 0.0000057000000000 ] - [ 0.0000171200000000, 0.0000624900000000, 0.0000057000000000 ] - [ -0.0599850900000000, 0.0000000000000000, -0.0008840000000000 ] - [ -0.0612381900000000, 0.0000000000000000, 0.0000568200000000 ] - [ -0.0619184100000000, -0.0001251300000000, -0.0000159600000000 ] - [ -0.0619184100000000, 0.0001251300000000, -0.0000159600000000 ] - [ -0.0618655400000000, 0.0000000000000000, 0.0002486900000000 ] - [ -0.0616478700000000, 0.0000000000000000, -0.0003076300000000 ] - [ -0.0618891900000000, -0.0000257500000000, 0.0000130400000000 ] - [ -0.0618891900000000, 0.0000257500000000, 0.0000130400000000 ] - [ -0.0309401200000000, 0.0532154200000000, -0.0000273800000000 ] - [ -0.0307680900000000, 0.0537206400000000, 0.0000314900000000 ] - [ -0.0310604700000000, 0.0524281400000000, 0.0004389500000000 ] - [ -0.0306482000000000, 0.0537622300000000, -0.0000158200000000 ] - [ -0.0309410600000000, 0.0534506800000000, 0.0001535100000000 ] - [ -0.0308243000000000, 0.0536984000000000, -0.0000230800000000 ] - [ -0.0311585900000000, 0.0534523500000000, -0.0001243300000000 ] - [ -0.0307679900000000, 0.0536504900000000, 0.0000098800000000 ] - [ -0.0310604700000000, -0.0524281400000000, 0.0004389500000000 ] - [ -0.0306482000000000, -0.0537622300000000, -0.0000158200000000 ] - [ -0.0307680900000000, -0.0537206400000000, 0.0000314900000000 ] - [ -0.0309401200000000, -0.0532154200000000, -0.0000273800000000 ] - [ -0.0311585900000000, -0.0534523500000000, -0.0001243300000000 ] - [ -0.0307679900000000, -0.0536504900000000, 0.0000098800000000 ] - [ -0.0308243100000000, -0.0536984000000000, -0.0000230800000000 ] - [ -0.0309410600000000, -0.0534506800000000, 0.0001535100000000 ] - [ 0.0309332900000000, 0.0539528700000000, -0.0000284400000000 ] - [ 0.0311054000000000, 0.0534493500000000, 0.0000312300000000 ] - [ 0.0312261300000000, 0.0534045600000000, -0.0000155000000000 ] - [ 0.0308184600000000, 0.0547432700000000, 0.0004393400000000 ] - [ 0.0309317900000000, 0.0537160000000000, 0.0001535400000000 ] - [ 0.0310474500000000, 0.0534702100000000, -0.0000218900000000 ] - [ 0.0311060100000000, 0.0535156400000000, 0.0000097300000000 ] - [ 0.0307159200000000, 0.0537179200000000, -0.0001238000000000 ] - [ 0.0308184600000000, -0.0547432700000000, 0.0004393400000000 ] - [ 0.0312261300000000, -0.0534045600000000, -0.0000155000000000 ] - [ 0.0309332900000000, -0.0539528700000000, -0.0000284400000000 ] - [ 0.0311054000000000, -0.0534493500000000, 0.0000312300000000 ] - [ 0.0307159200000000, -0.0537179200000000, -0.0001238000000000 ] - [ 0.0311060100000000, -0.0535156400000000, 0.0000097300000000 ] - [ 0.0309317900000000, -0.0537160000000000, 0.0001535400000000 ] - [ 0.0310474500000000, -0.0534702100000000, -0.0000218900000000 ] - [ 0.0625102000000000, 0.0000000000000000, 0.0000562300000000 ] - [ 0.0637538900000000, 0.0000000000000000, -0.0008739100000000 ] - [ 0.0618318200000000, 0.0001259100000000, -0.0000151300000000 ] - [ 0.0618318200000000, -0.0001259100000000, -0.0000151300000000 ] - [ 0.0620999400000000, 0.0000000000000000, -0.0003073000000000 ] - [ 0.0618805500000000, 0.0000000000000000, 0.0002463800000000 ] - [ 0.0618583200000000, 0.0000257400000000, 0.0000129200000000 ] - [ 0.0618583200000000, -0.0000257400000000, 0.0000129200000000 ] - [ 0.0080402100000000, -0.0090037200000000, 0.0008021200000000 ] - [ 0.0056731900000000, -0.0103329800000000, -0.0000096000000000 ] - [ 0.0058347600000000, -0.0100713700000000, 0.0000295700000000 ] - [ 0.0058416200000000, -0.0103413300000000, 0.0000057700000000 ] - [ 0.0061250100000000, -0.0102491400000000, -0.0000959600000000 ] - [ 0.0057392700000000, -0.0103111000000000, -0.0000077700000000 ] - [ 0.0059125500000000, -0.0101580300000000, 0.0000046100000000 ] - [ 0.0058621200000000, -0.0102990900000000, 0.0000051400000000 ] - [ 0.0114593400000000, 0.0000000000000000, -0.0000610600000000 ] - [ 0.0117929500000000, 0.0000000000000000, -0.0016221000000000 ] - [ 0.0118426900000000, -0.0001401600000000, 0.0000046600000000 ] - [ 0.0118426900000000, 0.0001401600000000, 0.0000046600000000 ] - [ 0.0116842800000000, 0.0000000000000000, -0.0000105100000000 ] - [ 0.0120563400000000, 0.0000000000000000, 0.0001920000000000 ] - [ 0.0118291500000000, -0.0001124200000000, 0.0000025800000000 ] - [ 0.0118291500000000, 0.0001124200000000, 0.0000025800000000 ] - [ 0.0058347600000000, 0.0100713700000000, 0.0000295700000000 ] - [ 0.0058416200000000, 0.0103413300000000, 0.0000057700000000 ] - [ 0.0056731900000000, 0.0103329800000000, -0.0000096000000000 ] - [ 0.0080402100000000, 0.0090037200000000, 0.0008021200000000 ] - [ 0.0059125500000000, 0.0101580300000000, 0.0000046100000000 ] - [ 0.0058621200000000, 0.0102990900000000, 0.0000051400000000 ] - [ 0.0057392700000000, 0.0103111000000000, -0.0000077700000000 ] - [ 0.0061250100000000, 0.0102491400000000, -0.0000959600000000 ] - [ -0.0037615300000000, -0.0114534200000000, 0.0007888800000000 ] - [ -0.0061463600000000, -0.0101407100000000, -0.0000108400000000 ] - [ -0.0059787400000000, -0.0101330100000000, 0.0000055000000000 ] - [ -0.0059875100000000, -0.0104019300000000, 0.0000300700000000 ] - [ -0.0056959400000000, -0.0102232100000000, -0.0000945700000000 ] - [ -0.0060807300000000, -0.0101632000000000, -0.0000073300000000 ] - [ -0.0059577100000000, -0.0101754500000000, 0.0000045800000000 ] - [ -0.0059092800000000, -0.0103173800000000, 0.0000046800000000 ] - [ -0.0059875100000000, 0.0104019300000000, 0.0000300700000000 ] - [ -0.0059787400000000, 0.0101330100000000, 0.0000055000000000 ] - [ -0.0037615300000000, 0.0114534200000000, 0.0007888800000000 ] - [ -0.0061463600000000, 0.0101407100000000, -0.0000108400000000 ] - [ -0.0059092800000000, 0.0103173800000000, 0.0000046800000000 ] - [ -0.0059577100000000, 0.0101754500000000, 0.0000045800000000 ] - [ -0.0056959400000000, 0.0102232100000000, -0.0000945700000000 ] - [ -0.0060807300000000, 0.0101632000000000, -0.0000073300000000 ] - [ -0.0117537400000000, 0.0000000000000000, -0.0015591100000000 ] - [ -0.0121841400000000, 0.0000000000000000, -0.0000598900000000 ] - [ -0.0118007100000000, 0.0001423100000000, 0.0000043000000000 ] - [ -0.0118007100000000, -0.0001423100000000, 0.0000043000000000 ] - [ -0.0115837200000000, 0.0000000000000000, 0.0001920900000000 ] - [ -0.0119575600000000, 0.0000000000000000, -0.0000086200000000 ] - [ -0.0118141700000000, 0.0001141000000000, 0.0000033600000000 ] - [ -0.0118141700000000, -0.0001141000000000, 0.0000033600000000 ] - [ -0.0002012600000000, -0.0003548300000000, -0.0001116400000000 ] - [ -0.0002034100000000, 0.0003541700000000, -0.0001123000000000 ] - [ -0.0001148100000000, 0.0000015400000000, 0.0000005300000000 ] - [ 0.0004109600000000, 0.0000010200000000, 0.0002221500000000 ] - [ -0.0000230900000000, -0.0001108400000000, 0.0000089000000000 ] - [ -0.0000246000000000, 0.0001114800000000, 0.0000103100000000 ] - [ -0.0000906000000000, 0.0000000600000000, -0.0000000300000000 ] - [ 0.0001692700000000, 0.0000004000000000, -0.0000210900000000 ] - [ 0.0002952500000000, 0.0000981400000000, -0.0000863300000000 ] - [ -0.0001049800000000, -0.0000256800000000, -0.0000014300000000 ] - [ -0.0000870700000000, 0.0003833800000000, 0.0002053500000000 ] - [ -0.0001428100000000, -0.0000898500000000, -0.0001176200000000 ] - [ 0.0002951800000000, -0.0000998600000000, -0.0000849200000000 ] - [ -0.0001051500000000, 0.0000238100000000, -0.0000000100000000 ] - [ -0.0001415300000000, 0.0000897100000000, -0.0001175300000000 ] - [ -0.0000874400000000, -0.0003836200000000, 0.0002050800000000 ] - [ 0.0004109600000000, -0.0000010200000000, 0.0002221500000000 ] - [ -0.0001148100000000, -0.0000015400000000, 0.0000005300000000 ] - [ -0.0002012600000000, 0.0003548300000000, -0.0001116400000000 ] - [ -0.0002034100000000, -0.0003541700000000, -0.0001123000000000 ] - [ 0.0001692700000000, -0.0000004000000000, -0.0000210900000000 ] - [ -0.0000906000000000, -0.0000000600000000, -0.0000000300000000 ] - [ -0.0000230900000000, 0.0001108400000000, 0.0000089000000000 ] - [ -0.0000246000000000, -0.0001114800000000, 0.0000103100000000 ] - [ -0.0000870700000000, -0.0003833800000000, 0.0002053500000000 ] - [ -0.0001428100000000, 0.0000898500000000, -0.0001176200000000 ] - [ -0.0001049800000000, 0.0000256800000000, -0.0000014300000000 ] - [ 0.0002952500000000, -0.0000981400000000, -0.0000863300000000 ] - [ -0.0001415300000000, -0.0000897100000000, -0.0001175300000000 ] - [ -0.0000874400000000, 0.0003836200000000, 0.0002050800000000 ] - [ -0.0001051500000000, -0.0000238100000000, -0.0000000100000000 ] - [ 0.0002951800000000, 0.0000998600000000, -0.0000849200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0105314700000000 ] - [ 0.0000560400000000, 0.0000000000000000, -0.0001627900000000 ] - [ -0.0000280200000000, 0.0000485300000000, -0.0001627900000000 ] - [ -0.0000280200000000, -0.0000485300000000, -0.0001627900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002885700000000 ] - [ -0.0000103100000000, 0.0000000000000000, 0.0000465200000000 ] - [ 0.0000051600000000, -0.0000089300000000, 0.0000465200000000 ] - [ 0.0000051600000000, 0.0000089300000000, 0.0000465200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016946200000000 ] - [ 0.0000114900000000, 0.0000000000000000, 0.0000404800000000 ] - [ -0.0000057500000000, 0.0000099500000000, 0.0000404800000000 ] - [ -0.0000057500000000, -0.0000099500000000, 0.0000404800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017101900000000 ] - [ 0.0000116900000000, 0.0000000000000000, 0.0000405400000000 ] - [ -0.0000058400000000, 0.0000101200000000, 0.0000405400000000 ] - [ -0.0000058400000000, -0.0000101200000000, 0.0000405400000000 ] - [ -0.0634472600000000, 0.0000000000000000, -0.0001021700000000 ] - [ -0.0612323000000000, 0.0000000000000000, -0.0002736300000000 ] - [ -0.0619115200000000, -0.0000592500000000, -0.0000760100000000 ] - [ -0.0619115200000000, 0.0000592500000000, -0.0000760100000000 ] - [ -0.0616341600000000, 0.0000000000000000, 0.0003640900000000 ] - [ -0.0619608500000000, 0.0000000000000000, 0.0002633500000000 ] - [ -0.0618692200000000, 0.0000364300000000, 0.0000730800000000 ] - [ -0.0618692200000000, -0.0000364300000000, 0.0000730800000000 ] - [ -0.0312595500000000, 0.0541431300000000, -0.0002739100000000 ] - [ -0.0308666600000000, 0.0535801200000000, -0.0000762200000000 ] - [ -0.0301526500000000, 0.0522259300000000, -0.0001074700000000 ] - [ -0.0309684200000000, 0.0535213700000000, -0.0000762200000000 ] - [ -0.0308932600000000, 0.0535087000000000, 0.0002649600000000 ] - [ -0.0309705500000000, 0.0535702600000000, 0.0000728800000000 ] - [ -0.0310564000000000, 0.0537912700000000, 0.0003641000000000 ] - [ -0.0309079300000000, 0.0536064100000000, 0.0000728800000000 ] - [ -0.0301526500000000, -0.0522259300000000, -0.0001074700000000 ] - [ -0.0309684200000000, -0.0535213700000000, -0.0000762200000000 ] - [ -0.0308666600000000, -0.0535801200000000, -0.0000762200000000 ] - [ -0.0312595500000000, -0.0541431300000000, -0.0002739100000000 ] - [ -0.0310564000000000, -0.0537912700000000, 0.0003641000000000 ] - [ -0.0309079300000000, -0.0536064100000000, 0.0000728800000000 ] - [ -0.0309705500000000, -0.0535702600000000, 0.0000728800000000 ] - [ -0.0308932600000000, -0.0535087000000000, 0.0002649600000000 ] - [ 0.0306161500000000, 0.0530287200000000, -0.0002736300000000 ] - [ 0.0310070700000000, 0.0535873300000000, -0.0000760100000000 ] - [ 0.0309044500000000, 0.0536465800000000, -0.0000760100000000 ] - [ 0.0317236300000000, 0.0549469400000000, -0.0001021700000000 ] - [ 0.0309804200000000, 0.0536596700000000, 0.0002633500000000 ] - [ 0.0309030600000000, 0.0535985300000000, 0.0000730800000000 ] - [ 0.0309661600000000, 0.0535621000000000, 0.0000730800000000 ] - [ 0.0308170800000000, 0.0533767500000000, 0.0003640900000000 ] - [ 0.0317236300000000, -0.0549469400000000, -0.0001021700000000 ] - [ 0.0309044500000000, -0.0536465800000000, -0.0000760100000000 ] - [ 0.0306161500000000, -0.0530287200000000, -0.0002736300000000 ] - [ 0.0310070700000000, -0.0535873300000000, -0.0000760100000000 ] - [ 0.0308170800000000, -0.0533767500000000, 0.0003640900000000 ] - [ 0.0309661600000000, -0.0535621000000000, 0.0000730800000000 ] - [ 0.0309804200000000, -0.0536596700000000, 0.0002633500000000 ] - [ 0.0309030600000000, -0.0535985300000000, 0.0000730800000000 ] - [ 0.0625191100000000, 0.0000000000000000, -0.0002739100000000 ] - [ 0.0603053100000000, 0.0000000000000000, -0.0001074700000000 ] - [ 0.0618350800000000, 0.0000587500000000, -0.0000762200000000 ] - [ 0.0618350800000000, -0.0000587500000000, -0.0000762200000000 ] - [ 0.0617865200000000, 0.0000000000000000, 0.0002649600000000 ] - [ 0.0621128100000000, 0.0000000000000000, 0.0003641000000000 ] - [ 0.0618784800000000, -0.0000361500000000, 0.0000728800000000 ] - [ 0.0618784800000000, 0.0000361500000000, 0.0000728800000000 ] - [ 0.0071936800000000, -0.0124598300000000, 0.0013435800000000 ] - [ 0.0058747100000000, -0.0102872000000000, 0.0000194100000000 ] - [ 0.0058316400000000, -0.0101007000000000, 0.0001338900000000 ] - [ 0.0059716200000000, -0.0102312500000000, 0.0000194100000000 ] - [ 0.0057392400000000, -0.0099406600000000, -0.0004422500000000 ] - [ 0.0059317300000000, -0.0102186400000000, -0.0000242600000000 ] - [ 0.0059433900000000, -0.0102942500000000, -0.0000902100000000 ] - [ 0.0058837400000000, -0.0102463500000000, -0.0000242600000000 ] - [ 0.0119894400000000, 0.0000000000000000, 0.0001336300000000 ] - [ 0.0092180200000000, 0.0000000000000000, 0.0012798600000000 ] - [ 0.0118059900000000, 0.0000552700000000, 0.0000189200000000 ] - [ 0.0118059900000000, -0.0000552700000000, 0.0000189200000000 ] - [ 0.0117655700000000, 0.0000000000000000, -0.0000902900000000 ] - [ 0.0121770100000000, 0.0000000000000000, -0.0004439400000000 ] - [ 0.0118373100000000, -0.0000286400000000, -0.0000249900000000 ] - [ 0.0118373100000000, 0.0000286400000000, -0.0000249900000000 ] - [ 0.0058316400000000, 0.0101007000000000, 0.0001338900000000 ] - [ 0.0059716200000000, 0.0102312500000000, 0.0000194100000000 ] - [ 0.0058747100000000, 0.0102872000000000, 0.0000194100000000 ] - [ 0.0071936800000000, 0.0124598300000000, 0.0013435800000000 ] - [ 0.0059433900000000, 0.0102942500000000, -0.0000902100000000 ] - [ 0.0058837400000000, 0.0102463500000000, -0.0000242600000000 ] - [ 0.0059317300000000, 0.0102186400000000, -0.0000242600000000 ] - [ 0.0057392400000000, 0.0099406600000000, -0.0004422500000000 ] - [ -0.0046090100000000, -0.0079830400000000, 0.0012798600000000 ] - [ -0.0059508600000000, -0.0101966500000000, 0.0000189200000000 ] - [ -0.0058551300000000, -0.0102519200000000, 0.0000189200000000 ] - [ -0.0059947200000000, -0.0103831600000000, 0.0001336300000000 ] - [ -0.0060885100000000, -0.0105456000000000, -0.0004439400000000 ] - [ -0.0058938600000000, -0.0102657300000000, -0.0000249900000000 ] - [ -0.0059434500000000, -0.0102370900000000, -0.0000249900000000 ] - [ -0.0058827800000000, -0.0101892800000000, -0.0000902900000000 ] - [ -0.0059947200000000, 0.0103831600000000, 0.0001336300000000 ] - [ -0.0058551300000000, 0.0102519200000000, 0.0000189200000000 ] - [ -0.0046090100000000, 0.0079830400000000, 0.0012798600000000 ] - [ -0.0059508600000000, 0.0101966500000000, 0.0000189200000000 ] - [ -0.0058827800000000, 0.0101892800000000, -0.0000902900000000 ] - [ -0.0059434500000000, 0.0102370900000000, -0.0000249900000000 ] - [ -0.0060885100000000, 0.0105456000000000, -0.0004439400000000 ] - [ -0.0058938600000000, 0.0102657300000000, -0.0000249900000000 ] - [ -0.0143873700000000, 0.0000000000000000, 0.0013435800000000 ] - [ -0.0116632900000000, 0.0000000000000000, 0.0001338900000000 ] - [ -0.0118463400000000, -0.0000559500000000, 0.0000194100000000 ] - [ -0.0118463400000000, 0.0000559500000000, 0.0000194100000000 ] - [ -0.0114784900000000, 0.0000000000000000, -0.0004422500000000 ] - [ -0.0118867800000000, 0.0000000000000000, -0.0000902100000000 ] - [ -0.0118154700000000, 0.0000277100000000, -0.0000242600000000 ] - [ -0.0118154700000000, -0.0000277100000000, -0.0000242600000000 ] - [ -0.0000882800000000, 0.0001532900000000, 0.0004878600000000 ] - [ -0.0000886100000000, -0.0001531000000000, 0.0004878600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001197800000000 ] - [ 0.0001768900000000, -0.0000001900000000, 0.0004878600000000 ] - [ 0.0000118400000000, -0.0000210800000000, -0.0001617900000000 ] - [ 0.0000123400000000, 0.0000207900000000, -0.0001617900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000566800000000 ] - [ -0.0000241800000000, 0.0000002900000000, -0.0001617900000000 ] - [ 0.0000773000000000, 0.0001926600000000, -0.0001610500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000190100000000 ] - [ 0.0001282000000000, -0.0001632800000000, -0.0001610500000000 ] - [ -0.0002055000000000, -0.0000293800000000, -0.0001610500000000 ] - [ 0.0000780400000000, -0.0001928800000000, -0.0001607600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000187300000000 ] - [ -0.0002060600000000, 0.0000288500000000, -0.0001607600000000 ] - [ 0.0001280200000000, 0.0001640300000000, -0.0001607600000000 ] - [ 0.0001768900000000, 0.0000001900000000, 0.0004878600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001197800000000 ] - [ -0.0000882800000000, -0.0001532900000000, 0.0004878600000000 ] - [ -0.0000886100000000, 0.0001531000000000, 0.0004878600000000 ] - [ -0.0000241800000000, -0.0000002900000000, -0.0001617900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000566800000000 ] - [ 0.0000118400000000, 0.0000210800000000, -0.0001617900000000 ] - [ 0.0000123400000000, -0.0000207900000000, -0.0001617900000000 ] - [ 0.0001282000000000, 0.0001632800000000, -0.0001610500000000 ] - [ -0.0002055000000000, 0.0000293800000000, -0.0001610500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000190100000000 ] - [ 0.0000773000000000, -0.0001926600000000, -0.0001610500000000 ] - [ -0.0002060600000000, -0.0000288500000000, -0.0001607600000000 ] - [ 0.0001280200000000, -0.0001640300000000, -0.0001607600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000187300000000 ] - [ 0.0000780400000000, 0.0001928800000000, -0.0001607600000000 ]- atom: 17 displacement: [ -0.0049999999972656, 0.0086602540394231, 0.0000000000000000 ] forces: - [ -0.0009367100000000, -0.0006859700000000, 0.0007834600000000 ] - [ -0.0003172100000000, -0.0001873300000000, -0.0003208400000000 ] - [ -0.0000870000000000, 0.0002825700000000, -0.0000318200000000 ] - [ 0.0001310800000000, 0.0002697000000000, 0.0000704100000000 ] - [ -0.0000039300000000, -0.0002596400000000, -0.0001188500000000 ] - [ -0.0001126600000000, -0.0000710800000000, 0.0000437000000000 ] - [ -0.0000144700000000, 0.0001854100000000, 0.0000289300000000 ] - [ 0.0000310900000000, 0.0001463300000000, -0.0000336900000000 ] - [ -0.0009367100000000, -0.0006859700000000, -0.0007834600000000 ] - [ -0.0003172100000000, -0.0001873300000000, 0.0003208400000000 ] - [ -0.0000870000000000, 0.0002825700000000, 0.0000318200000000 ] - [ 0.0001310800000000, 0.0002697000000000, -0.0000704100000000 ] - [ -0.0000039300000000, -0.0002596400000000, 0.0001188500000000 ] - [ -0.0001126600000000, -0.0000710800000000, -0.0000437000000000 ] - [ -0.0000144700000000, 0.0001854100000000, -0.0000289300000000 ] - [ 0.0000310900000000, 0.0001463300000000, 0.0000336900000000 ] - [ -0.0328263300000000, -0.0459315800000000, 0.0000000000000000 ] - [ -0.0622716800000000, -0.0003520100000000, 0.0000000000000000 ] - [ -0.0623442800000000, 0.0011103200000000, 0.0000000000000000 ] - [ -0.0614236800000000, 0.0005625100000000, 0.0000000000000000 ] - [ -0.0614260500000000, -0.0002208100000000, 0.0000000000000000 ] - [ -0.0620350500000000, -0.0001011500000000, 0.0000000000000000 ] - [ -0.0621065700000000, 0.0006680600000000, 0.0000000000000000 ] - [ -0.0616528000000000, 0.0004073100000000, 0.0000000000000000 ] - [ -0.0312427900000000, 0.0540569400000000, 0.0002746400000000 ] - [ -0.0299275200000000, 0.0542010500000000, 0.0005711500000000 ] - [ -0.0296460600000000, 0.0537739600000000, -0.0009287000000000 ] - [ -0.0312424300000000, 0.0536084200000000, -0.0001243200000000 ] - [ -0.0312427900000000, 0.0540569400000000, -0.0002746400000000 ] - [ -0.0299275200000000, 0.0542010500000000, -0.0005711500000000 ] - [ -0.0296460600000000, 0.0537739600000000, 0.0009287000000000 ] - [ -0.0312424300000000, 0.0536084200000000, 0.0001243200000000 ] - [ -0.0317431000000000, -0.0527266900000000, 0.0016193200000000 ] - [ -0.0311938700000000, -0.0536579200000000, 0.0000722900000000 ] - [ -0.0319724400000000, -0.0523663000000000, -0.0008248000000000 ] - [ -0.0308032700000000, -0.0534322300000000, -0.0000455000000000 ] - [ -0.0317431000000000, -0.0527266900000000, -0.0016193200000000 ] - [ -0.0311938700000000, -0.0536579200000000, -0.0000722900000000 ] - [ -0.0319724400000000, -0.0523663000000000, 0.0008248000000000 ] - [ -0.0308032700000000, -0.0534322300000000, 0.0000455000000000 ] - [ 0.0309948000000000, 0.0567009300000000, 0.0000000000000000 ] - [ 0.0306736400000000, 0.0539245200000000, 0.0000000000000000 ] - [ 0.0284854200000000, 0.0552413600000000, 0.0000000000000000 ] - [ 0.0319163000000000, 0.0532950700000000, 0.0000000000000000 ] - [ 0.0313859100000000, 0.0538425700000000, 0.0000000000000000 ] - [ 0.0309055300000000, 0.0536371800000000, 0.0000000000000000 ] - [ 0.0307770100000000, 0.0534935700000000, 0.0000000000000000 ] - [ 0.0312453500000000, 0.0533660700000000, 0.0000000000000000 ] - [ 0.0276767700000000, -0.0528291200000000, 0.0000000000000000 ] - [ 0.0320049600000000, -0.0542752500000000, 0.0000000000000000 ] - [ 0.0320034100000000, -0.0513688300000000, 0.0000000000000000 ] - [ 0.0305653400000000, -0.0530679100000000, 0.0000000000000000 ] - [ 0.0305848200000000, -0.0537381800000000, 0.0000000000000000 ] - [ 0.0308879800000000, -0.0540754000000000, 0.0000000000000000 ] - [ 0.0308869400000000, -0.0533699200000000, 0.0000000000000000 ] - [ 0.0307509400000000, -0.0534404500000000, 0.0000000000000000 ] - [ 0.0614253600000000, -0.0019697100000000, -0.0017239900000000 ] - [ 0.0615812100000000, -0.0004805700000000, 0.0001321500000000 ] - [ 0.0615702900000000, 0.0007029100000000, 0.0000926400000000 ] - [ 0.0621043800000000, 0.0003939600000000, -0.0001084100000000 ] - [ 0.0614253600000000, -0.0019697100000000, 0.0017239900000000 ] - [ 0.0615812100000000, -0.0004805700000000, -0.0001321500000000 ] - [ 0.0615702900000000, 0.0007029100000000, -0.0000926400000000 ] - [ 0.0621043800000000, 0.0003939600000000, 0.0001084100000000 ] - [ 0.0064525900000000, -0.0100268800000000, -0.0003493400000000 ] - [ 0.0061900300000000, -0.0096713300000000, -0.0001033900000000 ] - [ 0.0058077600000000, -0.0106688300000000, 0.0002906000000000 ] - [ 0.0059239200000000, -0.0104490300000000, -0.0000003700000000 ] - [ 0.0064525900000000, -0.0100268800000000, 0.0003493400000000 ] - [ 0.0061900300000000, -0.0096713300000000, 0.0001033900000000 ] - [ 0.0058077600000000, -0.0106688300000000, -0.0002906000000000 ] - [ 0.0059239200000000, -0.0104490300000000, 0.0000003700000000 ] - [ 0.0062479200000000, 0.0027853700000000, 0.0000000000000000 ] - [ 0.0123684700000000, 0.0008771100000000, 0.0000000000000000 ] - [ 0.0119440400000000, -0.0007879700000000, 0.0000000000000000 ] - [ 0.0118051100000000, -0.0005775900000000, 0.0000000000000000 ] - [ 0.0116747200000000, 0.0002128000000000, 0.0000000000000000 ] - [ 0.0118755300000000, 0.0002406500000000, 0.0000000000000000 ] - [ 0.0118994000000000, -0.0002873600000000, 0.0000000000000000 ] - [ 0.0117637500000000, -0.0001955600000000, 0.0000000000000000 ] - [ 0.0057232500000000, 0.0097495300000000, -0.0003495200000000 ] - [ 0.0060406000000000, 0.0100674800000000, 0.0000098600000000 ] - [ 0.0062520100000000, 0.0102635100000000, 0.0002647200000000 ] - [ 0.0056371700000000, 0.0109108300000000, -0.0002073300000000 ] - [ 0.0057232500000000, 0.0097495300000000, 0.0003495200000000 ] - [ 0.0060406000000000, 0.0100674800000000, -0.0000098600000000 ] - [ 0.0062520100000000, 0.0102635100000000, -0.0002647200000000 ] - [ 0.0056371700000000, 0.0109108300000000, 0.0002073300000000 ] - [ -0.0184508400000000, 0.0017834500000000, 0.0000000000000000 ] - [ -0.0057571000000000, -0.0099153200000000, 0.0000000000000000 ] - [ -0.0055364200000000, -0.0111171700000000, 0.0000000000000000 ] - [ -0.0059643100000000, -0.0104603200000000, 0.0000000000000000 ] - [ -0.0059183500000000, -0.0098328800000000, 0.0000000000000000 ] - [ -0.0058332800000000, -0.0101782400000000, 0.0000000000000000 ] - [ -0.0057910500000000, -0.0104626100000000, 0.0000000000000000 ] - [ -0.0059152400000000, -0.0103682400000000, 0.0000000000000000 ] - [ -0.0056814100000000, 0.0096248200000000, 0.0000000000000000 ] - [ -0.0068387500000000, 0.0098438200000000, 0.0000000000000000 ] - [ -0.0057495700000000, 0.0141338000000000, 0.0000000000000000 ] - [ -0.0050221100000000, 0.0104726800000000, 0.0000000000000000 ] - [ -0.0058398800000000, 0.0100546900000000, 0.0000000000000000 ] - [ -0.0061937800000000, 0.0101391700000000, 0.0000000000000000 ] - [ -0.0061366300000000, 0.0105160700000000, 0.0000000000000000 ] - [ -0.0057371400000000, 0.0102867800000000, 0.0000000000000000 ] - [ -0.0128074100000000, 0.0025488500000000, -0.0011069200000000 ] - [ -0.0115816600000000, 0.0001055100000000, 0.0000457100000000 ] - [ -0.0116891300000000, -0.0006492000000000, -0.0000067200000000 ] - [ -0.0119781900000000, -0.0003390000000000, -0.0000080500000000 ] - [ -0.0128074100000000, 0.0025488500000000, 0.0011069200000000 ] - [ -0.0115816600000000, 0.0001055100000000, -0.0000457100000000 ] - [ -0.0116891300000000, -0.0006492000000000, 0.0000067200000000 ] - [ -0.0119781900000000, -0.0003390000000000, 0.0000080500000000 ] - [ -0.0013148300000000, 0.0036174800000000, 0.0007783400000000 ] - [ 0.0005299100000000, 0.0001490900000000, -0.0002966100000000 ] - [ 0.0005468800000000, -0.0006435800000000, 0.0002024800000000 ] - [ -0.0006046100000000, -0.0002905400000000, 0.0001254900000000 ] - [ -0.0006508000000000, 0.0006668000000000, 0.0002345300000000 ] - [ 0.0001852500000000, 0.0000677900000000, 0.0000362000000000 ] - [ 0.0003286100000000, -0.0002278000000000, -0.0001257300000000 ] - [ -0.0002466400000000, -0.0002596400000000, -0.0001084300000000 ] - [ 0.0006265300000000, -0.0008795500000000, 0.0003622200000000 ] - [ -0.0001812500000000, -0.0001608500000000, -0.0000352700000000 ] - [ -0.0013503100000000, 0.0043166600000000, 0.0013938100000000 ] - [ 0.0000019400000000, 0.0001790500000000, -0.0000696300000000 ] - [ 0.0002588100000000, -0.0004506300000000, -0.0002038400000000 ] - [ -0.0001649200000000, -0.0000308000000000, -0.0000901400000000 ] - [ -0.0000064100000000, 0.0000445900000000, 0.0004976000000000 ] - [ 0.0000350900000000, 0.0001433000000000, -0.0000261700000000 ] - [ 0.0006265300000000, -0.0008795500000000, -0.0003622200000000 ] - [ -0.0001812500000000, -0.0001608500000000, 0.0000352700000000 ] - [ -0.0013503100000000, 0.0043166600000000, -0.0013938100000000 ] - [ 0.0000019400000000, 0.0001790500000000, 0.0000696300000000 ] - [ 0.0002588100000000, -0.0004506300000000, 0.0002038400000000 ] - [ -0.0001649200000000, -0.0000308000000000, 0.0000901400000000 ] - [ -0.0000064100000000, 0.0000445900000000, -0.0004976000000000 ] - [ 0.0000350900000000, 0.0001433000000000, 0.0000261700000000 ] - [ -0.0013148300000000, 0.0036174800000000, -0.0007783400000000 ] - [ 0.0005299100000000, 0.0001490900000000, 0.0002966100000000 ] - [ 0.0005468800000000, -0.0006435800000000, -0.0002024800000000 ] - [ -0.0006046100000000, -0.0002905400000000, -0.0001254900000000 ] - [ -0.0006508000000000, 0.0006668000000000, -0.0002345300000000 ] - [ 0.0001852500000000, 0.0000677900000000, -0.0000362000000000 ] - [ 0.0003286100000000, -0.0002278000000000, 0.0001257300000000 ] - [ -0.0002466400000000, -0.0002596400000000, 0.0001084300000000 ]- atom: 17 displacement: [ 0.0049999999972656, -0.0086602540394231, 0.0000000000000000 ] forces: - [ 0.0009469700000000, 0.0006831700000000, -0.0007877800000000 ] - [ 0.0003173600000000, 0.0001878500000000, 0.0003224200000000 ] - [ 0.0000862800000000, -0.0002828400000000, 0.0000321100000000 ] - [ -0.0001305000000000, -0.0002693000000000, -0.0000701000000000 ] - [ 0.0000047200000000, 0.0002594800000000, 0.0001201800000000 ] - [ 0.0001122400000000, 0.0000712100000000, -0.0000434900000000 ] - [ 0.0000136400000000, -0.0001855700000000, -0.0000292700000000 ] - [ -0.0000310100000000, -0.0001463200000000, 0.0000335600000000 ] - [ 0.0009469700000000, 0.0006831700000000, 0.0007877800000000 ] - [ 0.0003173600000000, 0.0001878500000000, -0.0003224200000000 ] - [ 0.0000862800000000, -0.0002828400000000, -0.0000321100000000 ] - [ -0.0001305000000000, -0.0002693000000000, 0.0000701000000000 ] - [ 0.0000047200000000, 0.0002594800000000, -0.0001201800000000 ] - [ 0.0001122400000000, 0.0000712100000000, 0.0000434900000000 ] - [ 0.0000136400000000, -0.0001855700000000, 0.0000292700000000 ] - [ -0.0000310100000000, -0.0001463200000000, -0.0000335600000000 ] - [ -0.0906762400000000, 0.0457360200000000, 0.0000000000000000 ] - [ -0.0614761900000000, 0.0003515400000000, 0.0000000000000000 ] - [ -0.0614042100000000, -0.0011107100000000, 0.0000000000000000 ] - [ -0.0623264800000000, -0.0005631100000000, 0.0000000000000000 ] - [ -0.0623232200000000, 0.0002194000000000, 0.0000000000000000 ] - [ -0.0617130800000000, 0.0001008000000000, 0.0000000000000000 ] - [ -0.0616422700000000, -0.0006698000000000, 0.0000000000000000 ] - [ -0.0620956700000000, -0.0004065200000000, 0.0000000000000000 ] - [ -0.0306319800000000, 0.0531115500000000, -0.0002736200000000 ] - [ -0.0319473200000000, 0.0529677800000000, -0.0005709000000000 ] - [ -0.0322323000000000, 0.0534020500000000, 0.0009272800000000 ] - [ -0.0306313600000000, 0.0535619500000000, 0.0001252800000000 ] - [ -0.0306319800000000, 0.0531115500000000, 0.0002736200000000 ] - [ -0.0319473200000000, 0.0529677800000000, 0.0005709000000000 ] - [ -0.0322323000000000, 0.0534020500000000, -0.0009272800000000 ] - [ -0.0306313600000000, 0.0535619500000000, -0.0001252800000000 ] - [ -0.0301281800000000, -0.0544447400000000, -0.0016166000000000 ] - [ -0.0306804000000000, -0.0535098700000000, -0.0000719200000000 ] - [ -0.0298952900000000, -0.0548053800000000, 0.0008296300000000 ] - [ -0.0310688600000000, -0.0537339400000000, 0.0000446200000000 ] - [ -0.0301281800000000, -0.0544447400000000, 0.0016166000000000 ] - [ -0.0306804000000000, -0.0535098700000000, 0.0000719200000000 ] - [ -0.0298952900000000, -0.0548053800000000, -0.0008296300000000 ] - [ -0.0310688600000000, -0.0537339400000000, -0.0000446200000000 ] - [ 0.0308783400000000, 0.0504764600000000, 0.0000000000000000 ] - [ 0.0311957500000000, 0.0532425100000000, 0.0000000000000000 ] - [ 0.0334024000000000, 0.0519218600000000, 0.0000000000000000 ] - [ 0.0299692400000000, 0.0538765400000000, 0.0000000000000000 ] - [ 0.0304879700000000, 0.0533242300000000, 0.0000000000000000 ] - [ 0.0309667000000000, 0.0535301800000000, 0.0000000000000000 ] - [ 0.0310949700000000, 0.0536771900000000, 0.0000000000000000 ] - [ 0.0306279800000000, 0.0538023400000000, 0.0000000000000000 ] - [ 0.0341856200000000, -0.0543387300000000, 0.0000000000000000 ] - [ 0.0298579600000000, -0.0529012200000000, 0.0000000000000000 ] - [ 0.0298569800000000, -0.0558059000000000, 0.0000000000000000 ] - [ 0.0313128800000000, -0.0541018300000000, 0.0000000000000000 ] - [ 0.0312900300000000, -0.0534317800000000, 0.0000000000000000 ] - [ 0.0309857200000000, -0.0530940700000000, 0.0000000000000000 ] - [ 0.0309855000000000, -0.0537960900000000, 0.0000000000000000 ] - [ 0.0311251500000000, -0.0537281300000000, 0.0000000000000000 ] - [ 0.0623073700000000, 0.0019787500000000, 0.0017189000000000 ] - [ 0.0621690900000000, 0.0004798800000000, -0.0001329900000000 ] - [ 0.0621790200000000, -0.0007030500000000, -0.0000915500000000 ] - [ 0.0616429200000000, -0.0003936500000000, 0.0001090400000000 ] - [ 0.0623073700000000, 0.0019787500000000, -0.0017189000000000 ] - [ 0.0621690900000000, 0.0004798800000000, 0.0001329900000000 ] - [ 0.0621790200000000, -0.0007030500000000, 0.0000915500000000 ] - [ 0.0616429200000000, -0.0003936500000000, -0.0001090400000000 ] - [ 0.0053713900000000, -0.0104525800000000, 0.0003500700000000 ] - [ 0.0056361900000000, -0.0108091000000000, 0.0001024000000000 ] - [ 0.0060194300000000, -0.0098130100000000, -0.0002940000000000 ] - [ 0.0058999600000000, -0.0100350700000000, 0.0000005300000000 ] - [ 0.0053713900000000, -0.0104525800000000, -0.0003500700000000 ] - [ 0.0056361900000000, -0.0108091000000000, -0.0001024000000000 ] - [ 0.0060194300000000, -0.0098130100000000, 0.0002940000000000 ] - [ 0.0058999600000000, -0.0100350700000000, -0.0000005300000000 ] - [ 0.0175281000000000, -0.0027734500000000, 0.0000000000000000 ] - [ 0.0112798000000000, -0.0008700100000000, 0.0000000000000000 ] - [ 0.0117060300000000, 0.0007873500000000, 0.0000000000000000 ] - [ 0.0118463700000000, 0.0005786300000000, 0.0000000000000000 ] - [ 0.0119743800000000, -0.0002140700000000, 0.0000000000000000 ] - [ 0.0117744300000000, -0.0002413900000000, 0.0000000000000000 ] - [ 0.0117521900000000, 0.0002875800000000, 0.0000000000000000 ] - [ 0.0118872800000000, 0.0001963300000000, 0.0000000000000000 ] - [ 0.0061006500000000, 0.0107317100000000, 0.0003485300000000 ] - [ 0.0057843900000000, 0.0104144600000000, -0.0000099100000000 ] - [ 0.0055748800000000, 0.0102141400000000, -0.0002663900000000 ] - [ 0.0061859300000000, 0.0095684500000000, 0.0002093500000000 ] - [ 0.0061006500000000, 0.0107317100000000, -0.0003485300000000 ] - [ 0.0057843900000000, 0.0104144600000000, 0.0000099100000000 ] - [ 0.0055748800000000, 0.0102141400000000, 0.0002663900000000 ] - [ 0.0061859300000000, 0.0095684500000000, -0.0002093500000000 ] - [ 0.0060159400000000, -0.0218096900000000, 0.0000000000000000 ] - [ -0.0060679400000000, -0.0105671900000000, 0.0000000000000000 ] - [ -0.0062891000000000, -0.0093611500000000, 0.0000000000000000 ] - [ -0.0058625100000000, -0.0100217800000000, 0.0000000000000000 ] - [ -0.0059076500000000, -0.0106485100000000, 0.0000000000000000 ] - [ -0.0059899300000000, -0.0103043400000000, 0.0000000000000000 ] - [ -0.0060326300000000, -0.0100190200000000, 0.0000000000000000 ] - [ -0.0059087100000000, -0.0101138500000000, 0.0000000000000000 ] - [ -0.0061429300000000, 0.0108581000000000, 0.0000000000000000 ] - [ -0.0049913100000000, 0.0106389900000000, 0.0000000000000000 ] - [ -0.0060669700000000, 0.0063675700000000, 0.0000000000000000 ] - [ -0.0068056300000000, 0.0100082100000000, 0.0000000000000000 ] - [ -0.0059859200000000, 0.0104286200000000, 0.0000000000000000 ] - [ -0.0056310900000000, 0.0103446900000000, 0.0000000000000000 ] - [ -0.0056898300000000, 0.0099682300000000, 0.0000000000000000 ] - [ -0.0060882900000000, 0.0101966900000000, 0.0000000000000000 ] - [ -0.0108415800000000, -0.0025468200000000, 0.0011242200000000 ] - [ -0.0120711900000000, -0.0001062000000000, -0.0000461700000000 ] - [ -0.0119623800000000, 0.0006499100000000, 0.0000065200000000 ] - [ -0.0116737800000000, 0.0003390700000000, 0.0000081300000000 ] - [ -0.0108415800000000, -0.0025468200000000, -0.0011242200000000 ] - [ -0.0120711900000000, -0.0001062000000000, 0.0000461700000000 ] - [ -0.0119623800000000, 0.0006499100000000, -0.0000065200000000 ] - [ -0.0116737800000000, 0.0003390700000000, -0.0000081300000000 ] - [ 0.0013640100000000, -0.0035348700000000, -0.0007072100000000 ] - [ -0.0005301700000000, -0.0001474100000000, 0.0002947600000000 ] - [ -0.0005498700000000, 0.0006448700000000, -0.0002027300000000 ] - [ 0.0006041100000000, 0.0002885700000000, -0.0001258900000000 ] - [ 0.0006496000000000, -0.0006651300000000, -0.0002336700000000 ] - [ -0.0001866400000000, -0.0000667700000000, -0.0000364800000000 ] - [ -0.0003308900000000, 0.0002278100000000, 0.0001266200000000 ] - [ 0.0002427900000000, 0.0002593000000000, 0.0001081500000000 ] - [ -0.0006239500000000, 0.0008764600000000, -0.0003573400000000 ] - [ 0.0001831000000000, 0.0001605800000000, 0.0000352900000000 ] - [ 0.0014381100000000, -0.0045522000000000, -0.0015715000000000 ] - [ -0.0000029600000000, -0.0001796700000000, 0.0000690300000000 ] - [ -0.0002595200000000, 0.0004515100000000, 0.0002045300000000 ] - [ 0.0001660100000000, 0.0000298800000000, 0.0000903700000000 ] - [ 0.0000088400000000, -0.0000470000000000, -0.0005038800000000 ] - [ -0.0000338100000000, -0.0001437600000000, 0.0000260600000000 ] - [ -0.0006239500000000, 0.0008764600000000, 0.0003573400000000 ] - [ 0.0001831000000000, 0.0001605800000000, -0.0000352900000000 ] - [ 0.0014381100000000, -0.0045522000000000, 0.0015715000000000 ] - [ -0.0000029600000000, -0.0001796700000000, -0.0000690300000000 ] - [ -0.0002595200000000, 0.0004515100000000, -0.0002045300000000 ] - [ 0.0001660100000000, 0.0000298800000000, -0.0000903700000000 ] - [ 0.0000088400000000, -0.0000470000000000, 0.0005038800000000 ] - [ -0.0000338100000000, -0.0001437600000000, -0.0000260600000000 ] - [ 0.0013640100000000, -0.0035348700000000, 0.0007072100000000 ] - [ -0.0005301700000000, -0.0001474100000000, -0.0002947600000000 ] - [ -0.0005498700000000, 0.0006448700000000, 0.0002027300000000 ] - [ 0.0006041100000000, 0.0002885700000000, 0.0001258900000000 ] - [ 0.0006496000000000, -0.0006651300000000, 0.0002336700000000 ] - [ -0.0001866400000000, -0.0000667700000000, 0.0000364800000000 ] - [ -0.0003308900000000, 0.0002278100000000, -0.0001266200000000 ] - [ 0.0002427900000000, 0.0002593000000000, -0.0001081500000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0008787500000000, 0.0000000000000000, -0.0001095900000000 ] - [ 0.0000552100000000, 0.0000000000000000, -0.0002784700000000 ] - [ -0.0000162800000000, -0.0000273300000000, -0.0000788700000000 ] - [ -0.0000162800000000, 0.0000273300000000, -0.0000788700000000 ] - [ 0.0002456100000000, 0.0000000000000000, 0.0003607700000000 ] - [ -0.0003068800000000, 0.0000000000000000, 0.0002614500000000 ] - [ 0.0000122500000000, 0.0000185800000000, 0.0000701800000000 ] - [ 0.0000122500000000, -0.0000185800000000, 0.0000701800000000 ] - [ 0.0008791800000000, 0.0000000000000000, -0.0001058300000000 ] - [ -0.0000583600000000, 0.0000000000000000, -0.0002746500000000 ] - [ 0.0000155300000000, 0.0000270900000000, -0.0000787700000000 ] - [ 0.0000155300000000, -0.0000270900000000, -0.0000787700000000 ] - [ -0.0002497100000000, 0.0000000000000000, 0.0003619000000000 ] - [ 0.0003083900000000, 0.0000000000000000, 0.0002611900000000 ] - [ -0.0000131200000000, -0.0000187800000000, 0.0000700800000000 ] - [ -0.0000131200000000, 0.0000187800000000, 0.0000700800000000 ] - [ -0.0618793700000000, 0.0000000000000000, -0.0256925700000000 ] - [ -0.0618750100000000, 0.0000000000000000, -0.0001531700000000 ] - [ -0.0618737000000000, 0.0000007600000000, -0.0000973700000000 ] - [ -0.0618737000000000, -0.0000007600000000, -0.0000973700000000 ] - [ -0.0618729300000000, 0.0000000000000000, 0.0013690400000000 ] - [ -0.0618736200000000, 0.0000000000000000, 0.0002273100000000 ] - [ -0.0618743300000000, -0.0000001800000000, 0.0002714100000000 ] - [ -0.0618743300000000, 0.0000001800000000, 0.0002714100000000 ] - [ -0.0310618700000000, 0.0535724200000000, 0.0000016700000000 ] - [ -0.0303656300000000, 0.0542092100000000, 0.0004717600000000 ] - [ -0.0318655300000000, 0.0522492000000000, 0.0008286300000000 ] - [ -0.0306625300000000, 0.0534773900000000, 0.0000017800000000 ] - [ -0.0308120600000000, 0.0535944800000000, 0.0000032200000000 ] - [ -0.0315082800000000, 0.0529588200000000, 0.0004730600000000 ] - [ -0.0300097000000000, 0.0549143200000000, 0.0008294500000000 ] - [ -0.0312106700000000, 0.0536899500000000, 0.0000030400000000 ] - [ -0.0318655300000000, -0.0522492000000000, 0.0008286300000000 ] - [ -0.0306625300000000, -0.0534773900000000, 0.0000017800000000 ] - [ -0.0303656300000000, -0.0542092100000000, 0.0004717600000000 ] - [ -0.0310618700000000, -0.0535724200000000, 0.0000016700000000 ] - [ -0.0300097000000000, -0.0549143200000000, 0.0008294500000000 ] - [ -0.0312106700000000, -0.0536899500000000, 0.0000030400000000 ] - [ -0.0315082800000000, -0.0529588200000000, 0.0004730600000000 ] - [ -0.0308120600000000, -0.0535944800000000, 0.0000032200000000 ] - [ 0.0309356500000000, 0.0535828200000000, -0.0007467500000000 ] - [ 0.0309361100000000, 0.0535840400000000, -0.0001253500000000 ] - [ 0.0309332300000000, 0.0535898900000000, -0.0007468300000000 ] - [ 0.0309389400000000, 0.0535848200000000, -0.0001449100000000 ] - [ 0.0309355900000000, 0.0535838900000000, 0.0006990000000000 ] - [ 0.0309363800000000, 0.0535839000000000, 0.0001885700000000 ] - [ 0.0309367000000000, 0.0535818400000000, 0.0006989600000000 ] - [ 0.0309358700000000, 0.0535832700000000, 0.0003070700000000 ] - [ 0.0309389400000000, -0.0535848200000000, -0.0001449100000000 ] - [ 0.0309332300000000, -0.0535898900000000, -0.0007468300000000 ] - [ 0.0309356500000000, -0.0535828200000000, -0.0007467500000000 ] - [ 0.0309361100000000, -0.0535840400000000, -0.0001253500000000 ] - [ 0.0309358700000000, -0.0535832700000000, 0.0003070700000000 ] - [ 0.0309367000000000, -0.0535818400000000, 0.0006989600000000 ] - [ 0.0309355900000000, -0.0535838900000000, 0.0006990000000000 ] - [ 0.0309363800000000, -0.0535839000000000, 0.0001885700000000 ] - [ 0.0653241800000000, 0.0000000000000000, 0.0045023400000000 ] - [ 0.0616082800000000, 0.0000000000000000, 0.0000240400000000 ] - [ 0.0618901300000000, 0.0001163200000000, 0.0000184200000000 ] - [ 0.0618901300000000, -0.0001163200000000, 0.0000184200000000 ] - [ 0.0584392200000000, 0.0000000000000000, 0.0044833200000000 ] - [ 0.0621378000000000, 0.0000000000000000, 0.0000246000000000 ] - [ 0.0618572100000000, -0.0001155500000000, 0.0000191300000000 ] - [ 0.0618572100000000, 0.0001155500000000, 0.0000191300000000 ] - [ 0.0063758500000000, -0.0102602100000000, -0.0000679300000000 ] - [ 0.0049613400000000, -0.0110231900000000, 0.0002451600000000 ] - [ 0.0058462000000000, -0.0098952200000000, -0.0000082300000000 ] - [ 0.0058859100000000, -0.0102487800000000, -0.0000068000000000 ] - [ 0.0054487900000000, -0.0102232200000000, -0.0000693100000000 ] - [ 0.0068595300000000, -0.0094624300000000, 0.0002411500000000 ] - [ 0.0059781100000000, -0.0105863500000000, -0.0000078400000000 ] - [ 0.0059382400000000, -0.0102346000000000, -0.0000077600000000 ] - [ 0.0118126500000000, 0.0000000000000000, 0.0021038400000000 ] - [ 0.0118247300000000, 0.0000000000000000, 0.0004195400000000 ] - [ 0.0118263500000000, 0.0000008900000000, 0.0000386400000000 ] - [ 0.0118263500000000, -0.0000008900000000, 0.0000386400000000 ] - [ 0.0118274600000000, 0.0000000000000000, -0.0017853500000000 ] - [ 0.0118266800000000, 0.0000000000000000, -0.0001789000000000 ] - [ 0.0118261600000000, -0.0000004800000000, -0.0000679100000000 ] - [ 0.0118261600000000, 0.0000004800000000, -0.0000679100000000 ] - [ 0.0058462000000000, 0.0098952200000000, -0.0000082300000000 ] - [ 0.0058859100000000, 0.0102487800000000, -0.0000068000000000 ] - [ 0.0049613400000000, 0.0110231900000000, 0.0002451600000000 ] - [ 0.0063758500000000, 0.0102602100000000, -0.0000679300000000 ] - [ 0.0059781100000000, 0.0105863500000000, -0.0000078400000000 ] - [ 0.0059382400000000, 0.0102346000000000, -0.0000077600000000 ] - [ 0.0068595300000000, 0.0094624300000000, 0.0002411500000000 ] - [ 0.0054487900000000, 0.0102232200000000, -0.0000693100000000 ] - [ -0.0059040900000000, -0.0102487400000000, 0.0018378300000000 ] - [ -0.0059118400000000, -0.0102410200000000, 0.0000912300000000 ] - [ -0.0059132700000000, -0.0102410800000000, 0.0001693000000000 ] - [ -0.0059137800000000, -0.0102413500000000, 0.0000462200000000 ] - [ -0.0059134400000000, -0.0102423000000000, -0.0005769600000000 ] - [ -0.0059141700000000, -0.0102416400000000, -0.0001836400000000 ] - [ -0.0059126500000000, -0.0102409700000000, -0.0002433600000000 ] - [ -0.0059127600000000, -0.0102416000000000, -0.0000727700000000 ] - [ -0.0059137800000000, 0.0102413500000000, 0.0000462200000000 ] - [ -0.0059132700000000, 0.0102410800000000, 0.0001693000000000 ] - [ -0.0059040900000000, 0.0102487400000000, 0.0018378300000000 ] - [ -0.0059118400000000, 0.0102410200000000, 0.0000912300000000 ] - [ -0.0059127600000000, 0.0102416000000000, -0.0000727700000000 ] - [ -0.0059126500000000, 0.0102409700000000, -0.0002433600000000 ] - [ -0.0059134400000000, 0.0102423000000000, -0.0005769600000000 ] - [ -0.0059141700000000, 0.0102416400000000, -0.0001836400000000 ] - [ -0.0107273400000000, 0.0000000000000000, -0.0025905800000000 ] - [ -0.0119060600000000, 0.0000000000000000, 0.0000722200000000 ] - [ -0.0118137700000000, 0.0001471200000000, -0.0000415000000000 ] - [ -0.0118137700000000, -0.0001471200000000, -0.0000415000000000 ] - [ -0.0129475300000000, 0.0000000000000000, -0.0026747400000000 ] - [ -0.0117469300000000, 0.0000000000000000, 0.0000706900000000 ] - [ -0.0118397000000000, -0.0001465400000000, -0.0000418600000000 ] - [ -0.0118397000000000, 0.0001465400000000, -0.0000418600000000 ] - [ 0.0007059000000000, 0.0026206800000000, 0.0039092200000000 ] - [ -0.0000108400000000, 0.0000021800000000, 0.0000727000000000 ] - [ -0.0001416300000000, 0.0000475000000000, 0.0001342300000000 ] - [ 0.0001688200000000, 0.0002484100000000, 0.0002529600000000 ] - [ -0.0002687100000000, 0.0006703900000000, -0.0009863200000000 ] - [ 0.0000192800000000, 0.0000107700000000, -0.0001404400000000 ] - [ 0.0000979800000000, 0.0000178000000000, -0.0001856900000000 ] - [ -0.0001585300000000, -0.0002390200000000, -0.0003087800000000 ] - [ -0.0001694000000000, 0.0002478200000000, 0.0002517600000000 ] - [ 0.0001408900000000, 0.0000469700000000, 0.0001323100000000 ] - [ -0.0006728500000000, 0.0025083800000000, 0.0038571400000000 ] - [ 0.0000087800000000, 0.0000019800000000, 0.0000716900000000 ] - [ 0.0001579700000000, -0.0002400500000000, -0.0003090600000000 ] - [ -0.0000987700000000, 0.0000156500000000, -0.0001844200000000 ] - [ 0.0002703500000000, 0.0006733700000000, -0.0009864400000000 ] - [ -0.0000196100000000, 0.0000100400000000, -0.0001403300000000 ] - [ 0.0001688200000000, -0.0002484100000000, 0.0002529600000000 ] - [ -0.0001416300000000, -0.0000475000000000, 0.0001342300000000 ] - [ 0.0007059000000000, -0.0026206800000000, 0.0039092200000000 ] - [ -0.0000108400000000, -0.0000021800000000, 0.0000727000000000 ] - [ -0.0001585300000000, 0.0002390200000000, -0.0003087800000000 ] - [ 0.0000979800000000, -0.0000178000000000, -0.0001856900000000 ] - [ -0.0002687100000000, -0.0006703900000000, -0.0009863200000000 ] - [ 0.0000192800000000, -0.0000107700000000, -0.0001404400000000 ] - [ -0.0006728500000000, -0.0025083800000000, 0.0038571400000000 ] - [ 0.0000087800000000, -0.0000019800000000, 0.0000716900000000 ] - [ 0.0001408900000000, -0.0000469700000000, 0.0001323100000000 ] - [ -0.0001694000000000, -0.0002478200000000, 0.0002517600000000 ] - [ 0.0002703500000000, -0.0006733700000000, -0.0009864400000000 ] - [ -0.0000196100000000, -0.0000100400000000, -0.0001403300000000 ] - [ -0.0000987700000000, -0.0000156500000000, -0.0001844200000000 ] - [ 0.0001579700000000, 0.0002400500000000, -0.0003090600000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0021531800000000, 0.0012187000000000, 0.0012858500000000 ] - [ -0.0002367500000000, -0.0000069700000000, -0.0000382100000000 ] - [ -0.0000767900000000, 0.0001657500000000, -0.0000821700000000 ] - [ -0.0000685400000000, -0.0001929500000000, 0.0000576200000000 ] - [ 0.0002142400000000, -0.0000129000000000, -0.0001743800000000 ] - [ -0.0001711000000000, 0.0000104700000000, 0.0000190900000000 ] - [ 0.0000024200000000, 0.0000801500000000, 0.0000303100000000 ] - [ -0.0000473900000000, -0.0001450500000000, -0.0000300500000000 ] - [ 0.0002142400000000, -0.0000129000000000, 0.0001743800000000 ] - [ -0.0001711000000000, 0.0000104700000000, -0.0000190900000000 ] - [ 0.0000024200000000, 0.0000801500000000, -0.0000303100000000 ] - [ -0.0000473900000000, -0.0001450500000000, 0.0000300500000000 ] - [ 0.0021531800000000, 0.0012187000000000, -0.0012858500000000 ] - [ -0.0002367500000000, -0.0000069700000000, 0.0000382100000000 ] - [ -0.0000767900000000, 0.0001657500000000, 0.0000821700000000 ] - [ -0.0000685400000000, -0.0001929500000000, -0.0000576200000000 ] - [ -0.0621388400000000, 0.0004711400000000, 0.0004641300000000 ] - [ -0.0624874500000000, -0.0000345100000000, -0.0009488900000000 ] - [ -0.0615787400000000, 0.0000461200000000, -0.0000650700000000 ] - [ -0.0620141100000000, -0.0000664900000000, -0.0000266200000000 ] - [ -0.0621388400000000, 0.0004711400000000, -0.0004641300000000 ] - [ -0.0624874500000000, -0.0000345100000000, 0.0009488900000000 ] - [ -0.0615787400000000, 0.0000461200000000, 0.0000650700000000 ] - [ -0.0620141100000000, -0.0000664900000000, 0.0000266200000000 ] - [ -0.0257372000000000, 0.0501504600000000, 0.0000000000000000 ] - [ -0.0316745300000000, 0.0534240000000000, 0.0000000000000000 ] - [ -0.0304533100000000, 0.0544966700000000, 0.0000000000000000 ] - [ -0.0314290200000000, 0.0531473200000000, 0.0000000000000000 ] - [ -0.0306770200000000, 0.0535608300000000, 0.0000000000000000 ] - [ -0.0312226100000000, 0.0535174800000000, 0.0000000000000000 ] - [ -0.0307525500000000, 0.0537504700000000, 0.0000000000000000 ] - [ -0.0310736900000000, 0.0534203000000000, 0.0000000000000000 ] - [ -0.0142500500000000, -0.0479776900000000, 0.0000000000000000 ] - [ -0.0318829000000000, -0.0532011800000000, 0.0000000000000000 ] - [ -0.0311016300000000, -0.0531966700000000, 0.0000000000000000 ] - [ -0.0307299000000000, -0.0542127000000000, 0.0000000000000000 ] - [ -0.0305790000000000, -0.0535226900000000, 0.0000000000000000 ] - [ -0.0311880000000000, -0.0534639100000000, 0.0000000000000000 ] - [ -0.0310442800000000, -0.0535019400000000, 0.0000000000000000 ] - [ -0.0309207600000000, -0.0537204500000000, 0.0000000000000000 ] - [ 0.0307875300000000, 0.0527681100000000, 0.0011526600000000 ] - [ 0.0306055400000000, 0.0538794600000000, -0.0002656300000000 ] - [ 0.0307234900000000, 0.0536598500000000, 0.0000190100000000 ] - [ 0.0316557200000000, 0.0534749400000000, -0.0002151400000000 ] - [ 0.0307875300000000, 0.0527681100000000, -0.0011526600000000 ] - [ 0.0306055400000000, 0.0538794600000000, 0.0002656300000000 ] - [ 0.0307234900000000, 0.0536598500000000, -0.0000190100000000 ] - [ 0.0316557200000000, 0.0534749400000000, 0.0002151400000000 ] - [ 0.0336339400000000, -0.0531599000000000, -0.0005593800000000 ] - [ 0.0303066100000000, -0.0536470700000000, 0.0001198800000000 ] - [ 0.0309063400000000, -0.0533183000000000, 0.0000402700000000 ] - [ 0.0307197700000000, -0.0540301000000000, -0.0001341900000000 ] - [ 0.0336339400000000, -0.0531599000000000, 0.0005593800000000 ] - [ 0.0303066100000000, -0.0536470700000000, -0.0001198800000000 ] - [ 0.0309063400000000, -0.0533183000000000, -0.0000402700000000 ] - [ 0.0307197700000000, -0.0540301000000000, 0.0001341900000000 ] - [ 0.0608229100000000, 0.0004259600000000, 0.0000000000000000 ] - [ 0.0737504300000000, 0.0069712900000000, 0.0000000000000000 ] - [ 0.0624224100000000, -0.0007526600000000, 0.0000000000000000 ] - [ 0.0616935100000000, 0.0001633000000000, 0.0000000000000000 ] - [ 0.0616186800000000, 0.0000561300000000, 0.0000000000000000 ] - [ 0.0621035300000000, -0.0001267300000000, 0.0000000000000000 ] - [ 0.0620354900000000, -0.0002312700000000, 0.0000000000000000 ] - [ 0.0618054100000000, 0.0000436100000000, 0.0000000000000000 ] - [ -0.0559240200000000, -0.0224668600000000, 0.0000000000000000 ] - [ 0.0064084000000000, -0.0101062100000000, 0.0000000000000000 ] - [ 0.0059681500000000, -0.0104345700000000, 0.0000000000000000 ] - [ 0.0060905600000000, -0.0099211700000000, 0.0000000000000000 ] - [ 0.0056906800000000, -0.0098829900000000, 0.0000000000000000 ] - [ 0.0061402200000000, -0.0102442800000000, 0.0000000000000000 ] - [ 0.0059312600000000, -0.0103086100000000, 0.0000000000000000 ] - [ 0.0058930800000000, -0.0101009700000000, 0.0000000000000000 ] - [ 0.0120930800000000, -0.0000529300000000, -0.0000872700000000 ] - [ 0.0107238800000000, 0.0007908800000000, 0.0018010600000000 ] - [ 0.0116808800000000, 0.0005181100000000, 0.0000282500000000 ] - [ 0.0118794900000000, -0.0001778900000000, 0.0000400300000000 ] - [ 0.0120930800000000, -0.0000529300000000, 0.0000872700000000 ] - [ 0.0107238800000000, 0.0007908800000000, -0.0018010600000000 ] - [ 0.0116808800000000, 0.0005181100000000, -0.0000282500000000 ] - [ 0.0118794900000000, -0.0001778900000000, -0.0000400300000000 ] - [ 0.0069513100000000, 0.0113527700000000, 0.0000000000000000 ] - [ 0.0069449000000000, 0.0096022800000000, 0.0000000000000000 ] - [ 0.0062415500000000, 0.0100753600000000, 0.0000000000000000 ] - [ 0.0026366300000000, 0.0103864200000000, 0.0000000000000000 ] - [ 0.0058694300000000, 0.0102837700000000, 0.0000000000000000 ] - [ 0.0058673600000000, 0.0101643700000000, 0.0000000000000000 ] - [ 0.0060859000000000, 0.0101927800000000, 0.0000000000000000 ] - [ 0.0057127100000000, 0.0102345300000000, 0.0000000000000000 ] - [ -0.0053101800000000, -0.0100439100000000, -0.0038615100000000 ] - [ -0.0054593900000000, -0.0104103300000000, 0.0000325300000000 ] - [ -0.0058883300000000, -0.0103293200000000, 0.0000304100000000 ] - [ -0.0058887600000000, -0.0100819500000000, 0.0000698300000000 ] - [ -0.0053101800000000, -0.0100439100000000, 0.0038615100000000 ] - [ -0.0054593900000000, -0.0104103300000000, -0.0000325300000000 ] - [ -0.0058883300000000, -0.0103293200000000, -0.0000304100000000 ] - [ -0.0058887600000000, -0.0100819500000000, -0.0000698300000000 ] - [ -0.0059173900000000, 0.0101229100000000, 0.0004470500000000 ] - [ -0.0055323800000000, 0.0104047000000000, 0.0000319500000000 ] - [ -0.0058442900000000, 0.0096324100000000, -0.0004234500000000 ] - [ -0.0055984800000000, 0.0104400700000000, -0.0000199100000000 ] - [ -0.0059173900000000, 0.0101229100000000, -0.0004470500000000 ] - [ -0.0055323800000000, 0.0104047000000000, -0.0000319500000000 ] - [ -0.0058442900000000, 0.0096324100000000, 0.0004234500000000 ] - [ -0.0055984800000000, 0.0104400700000000, 0.0000199100000000 ] - [ -0.0051057200000000, -0.0059106300000000, 0.0000000000000000 ] - [ -0.0103685000000000, 0.0003869100000000, 0.0000000000000000 ] - [ -0.0118882700000000, -0.0004845800000000, 0.0000000000000000 ] - [ -0.0116487300000000, 0.0002496100000000, 0.0000000000000000 ] - [ -0.0118938400000000, -0.0000671200000000, 0.0000000000000000 ] - [ -0.0117620500000000, 0.0000157000000000, 0.0000000000000000 ] - [ -0.0118686100000000, -0.0000464400000000, 0.0000000000000000 ] - [ -0.0117460700000000, 0.0001052900000000, 0.0000000000000000 ] - [ 0.0015953300000000, 0.0000884600000000, -0.0007235700000000 ] - [ 0.0068655400000000, -0.0023110100000000, 0.0050399000000000 ] - [ 0.0000663500000000, 0.0001305500000000, -0.0000301600000000 ] - [ -0.0002350200000000, -0.0000501200000000, 0.0000005500000000 ] - [ 0.0001711100000000, -0.0000913400000000, 0.0002085400000000 ] - [ 0.0000211000000000, -0.0002339200000000, -0.0002746500000000 ] - [ 0.0001043000000000, 0.0000456400000000, -0.0000303400000000 ] - [ -0.0000891100000000, 0.0000102000000000, -0.0000054400000000 ] - [ -0.0004229400000000, -0.0000396900000000, -0.0002060600000000 ] - [ 0.0002521800000000, 0.0000108300000000, 0.0000118100000000 ] - [ 0.0000746300000000, -0.0001972400000000, -0.0000611700000000 ] - [ -0.0001093700000000, 0.0002597000000000, 0.0001249500000000 ] - [ -0.0021609800000000, 0.0034306800000000, 0.0019812200000000 ] - [ 0.0003733500000000, -0.0000533800000000, -0.0000486500000000 ] - [ 0.0001208000000000, -0.0003107200000000, 0.0000266600000000 ] - [ 0.0006643900000000, 0.0011905100000000, -0.0006489800000000 ] - [ -0.0021609800000000, 0.0034306800000000, -0.0019812200000000 ] - [ 0.0003733500000000, -0.0000533800000000, 0.0000486500000000 ] - [ 0.0001208000000000, -0.0003107200000000, -0.0000266600000000 ] - [ 0.0006643900000000, 0.0011905100000000, 0.0006489800000000 ] - [ -0.0004229400000000, -0.0000396900000000, 0.0002060600000000 ] - [ 0.0002521800000000, 0.0000108300000000, -0.0000118100000000 ] - [ 0.0000746300000000, -0.0001972400000000, 0.0000611700000000 ] - [ -0.0001093700000000, 0.0002597000000000, -0.0001249500000000 ] - [ 0.0001711100000000, -0.0000913400000000, -0.0002085400000000 ] - [ 0.0000211000000000, -0.0002339200000000, 0.0002746500000000 ] - [ 0.0001043000000000, 0.0000456400000000, 0.0000303400000000 ] - [ -0.0000891100000000, 0.0000102000000000, 0.0000054400000000 ] - [ 0.0015953300000000, 0.0000884600000000, 0.0007235700000000 ] - [ 0.0068655400000000, -0.0023110100000000, -0.0050399000000000 ] - [ 0.0000663500000000, 0.0001305500000000, 0.0000301600000000 ] - [ -0.0002350200000000, -0.0000501200000000, -0.0000005500000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0021261600000000, -0.0012303500000000, -0.0012990400000000 ] - [ 0.0002359600000000, 0.0000071600000000, 0.0000377200000000 ] - [ 0.0000760400000000, -0.0001642200000000, 0.0000807600000000 ] - [ 0.0000686000000000, 0.0001929200000000, -0.0000584000000000 ] - [ -0.0002139500000000, 0.0000131500000000, 0.0001745400000000 ] - [ 0.0001710000000000, -0.0000103800000000, -0.0000188600000000 ] - [ -0.0000026100000000, -0.0000800500000000, -0.0000302900000000 ] - [ 0.0000473300000000, 0.0001445500000000, 0.0000301200000000 ] - [ -0.0002139500000000, 0.0000131500000000, -0.0001745400000000 ] - [ 0.0001710000000000, -0.0000103800000000, 0.0000188600000000 ] - [ -0.0000026100000000, -0.0000800500000000, 0.0000302900000000 ] - [ 0.0000473300000000, 0.0001445500000000, -0.0000301200000000 ] - [ -0.0021261600000000, -0.0012303500000000, 0.0012990400000000 ] - [ 0.0002359600000000, 0.0000071600000000, -0.0000377200000000 ] - [ 0.0000760400000000, -0.0001642200000000, -0.0000807600000000 ] - [ 0.0000686000000000, 0.0001929200000000, 0.0000584000000000 ] - [ -0.0616093200000000, -0.0004700500000000, -0.0004625700000000 ] - [ -0.0612593400000000, 0.0000370400000000, 0.0009487600000000 ] - [ -0.0621693500000000, -0.0000480700000000, 0.0000661000000000 ] - [ -0.0617356000000000, 0.0000667900000000, 0.0000253100000000 ] - [ -0.0616093200000000, -0.0004700500000000, 0.0004625700000000 ] - [ -0.0612593400000000, 0.0000370400000000, -0.0009487600000000 ] - [ -0.0621693500000000, -0.0000480700000000, -0.0000661000000000 ] - [ -0.0617356000000000, 0.0000667900000000, -0.0000253100000000 ] - [ -0.0361938200000000, 0.0571404800000000, 0.0000000000000000 ] - [ -0.0301946800000000, 0.0537481700000000, 0.0000000000000000 ] - [ -0.0314233900000000, 0.0526813800000000, 0.0000000000000000 ] - [ -0.0304494600000000, 0.0540166600000000, 0.0000000000000000 ] - [ -0.0311975400000000, 0.0536089800000000, 0.0000000000000000 ] - [ -0.0306534100000000, 0.0536516600000000, 0.0000000000000000 ] - [ -0.0311218100000000, 0.0534206500000000, 0.0000000000000000 ] - [ -0.0307998500000000, 0.0537499600000000, 0.0000000000000000 ] - [ -0.0469193600000000, -0.0588898800000000, 0.0000000000000000 ] - [ -0.0299880600000000, -0.0539667100000000, 0.0000000000000000 ] - [ -0.0307739500000000, -0.0539728500000000, 0.0000000000000000 ] - [ -0.0311426100000000, -0.0529565200000000, 0.0000000000000000 ] - [ -0.0312915900000000, -0.0536457600000000, 0.0000000000000000 ] - [ -0.0306868100000000, -0.0537031400000000, 0.0000000000000000 ] - [ -0.0308294600000000, -0.0536673700000000, 0.0000000000000000 ] - [ -0.0309532100000000, -0.0534460800000000, 0.0000000000000000 ] - [ 0.0310818400000000, 0.0543966400000000, -0.0011484100000000 ] - [ 0.0312667400000000, 0.0532849200000000, 0.0002671700000000 ] - [ 0.0311488800000000, 0.0535090100000000, -0.0000182800000000 ] - [ 0.0302179100000000, 0.0536948200000000, 0.0002163700000000 ] - [ 0.0310818400000000, 0.0543966400000000, 0.0011484100000000 ] - [ 0.0312667400000000, 0.0532849200000000, -0.0002671700000000 ] - [ 0.0311488800000000, 0.0535090100000000, 0.0000182800000000 ] - [ 0.0302179100000000, 0.0536948200000000, -0.0002163700000000 ] - [ 0.0282366300000000, -0.0540056200000000, 0.0005514700000000 ] - [ 0.0315675200000000, -0.0535223100000000, -0.0001204900000000 ] - [ 0.0309665300000000, -0.0538492300000000, -0.0000391800000000 ] - [ 0.0311532900000000, -0.0531397000000000, 0.0001334500000000 ] - [ 0.0282366300000000, -0.0540056200000000, -0.0005514700000000 ] - [ 0.0315675200000000, -0.0535223100000000, 0.0001204900000000 ] - [ 0.0309665300000000, -0.0538492300000000, 0.0000391800000000 ] - [ 0.0311532900000000, -0.0531397000000000, -0.0001334500000000 ] - [ 0.0629163800000000, -0.0004250300000000, 0.0000000000000000 ] - [ 0.0496042700000000, -0.0073375700000000, 0.0000000000000000 ] - [ 0.0613254700000000, 0.0007483000000000, 0.0000000000000000 ] - [ 0.0620538900000000, -0.0001615100000000, 0.0000000000000000 ] - [ 0.0621266600000000, -0.0000557600000000, 0.0000000000000000 ] - [ 0.0616448300000000, 0.0001254600000000, 0.0000000000000000 ] - [ 0.0617126100000000, 0.0002313400000000, 0.0000000000000000 ] - [ 0.0619440000000000, -0.0000438200000000, 0.0000000000000000 ] - [ 0.0675650700000000, 0.0019564500000000, 0.0000000000000000 ] - [ 0.0054124000000000, -0.0103654900000000, 0.0000000000000000 ] - [ 0.0058535300000000, -0.0100395800000000, 0.0000000000000000 ] - [ 0.0057267400000000, -0.0105527700000000, 0.0000000000000000 ] - [ 0.0061295300000000, -0.0105925300000000, 0.0000000000000000 ] - [ 0.0056798300000000, -0.0102310900000000, 0.0000000000000000 ] - [ 0.0058910500000000, -0.0101648700000000, 0.0000000000000000 ] - [ 0.0059294200000000, -0.0103731300000000, 0.0000000000000000 ] - [ 0.0115492200000000, 0.0000537000000000, 0.0000873300000000 ] - [ 0.0129256900000000, -0.0007876500000000, -0.0017990100000000 ] - [ 0.0119615400000000, -0.0005146800000000, -0.0000271500000000 ] - [ 0.0117614100000000, 0.0001778600000000, -0.0000394600000000 ] - [ 0.0115492200000000, 0.0000537000000000, -0.0000873300000000 ] - [ 0.0129256900000000, -0.0007876500000000, 0.0017990100000000 ] - [ 0.0119615400000000, -0.0005146800000000, 0.0000271500000000 ] - [ 0.0117614100000000, 0.0001778600000000, 0.0000394600000000 ] - [ 0.0048810300000000, 0.0091192200000000, 0.0000000000000000 ] - [ 0.0048781700000000, 0.0108685600000000, 0.0000000000000000 ] - [ 0.0055819800000000, 0.0103944300000000, 0.0000000000000000 ] - [ 0.0091798000000000, 0.0101201600000000, 0.0000000000000000 ] - [ 0.0059499400000000, 0.0101858600000000, 0.0000000000000000 ] - [ 0.0059558400000000, 0.0103073500000000, 0.0000000000000000 ] - [ 0.0057321700000000, 0.0102816300000000, 0.0000000000000000 ] - [ 0.0061070400000000, 0.0102372400000000, 0.0000000000000000 ] - [ -0.0065121200000000, -0.0104322100000000, 0.0038373100000000 ] - [ -0.0063609100000000, -0.0100622600000000, -0.0000320100000000 ] - [ -0.0059310400000000, -0.0101430100000000, -0.0000297500000000 ] - [ -0.0059312000000000, -0.0103892900000000, -0.0000697400000000 ] - [ -0.0065121200000000, -0.0104322100000000, -0.0038373100000000 ] - [ -0.0063609100000000, -0.0100622600000000, 0.0000320100000000 ] - [ -0.0059310400000000, -0.0101430100000000, 0.0000297500000000 ] - [ -0.0059312000000000, -0.0103892900000000, 0.0000697400000000 ] - [ -0.0059010500000000, 0.0103497800000000, -0.0004459700000000 ] - [ -0.0062847800000000, 0.0100700800000000, -0.0000301400000000 ] - [ -0.0059772300000000, 0.0108443300000000, 0.0004259200000000 ] - [ -0.0062225300000000, 0.0100325900000000, 0.0000223000000000 ] - [ -0.0059010500000000, 0.0103497800000000, 0.0004459700000000 ] - [ -0.0062847800000000, 0.0100700800000000, 0.0000301400000000 ] - [ -0.0059772300000000, 0.0108443300000000, -0.0004259200000000 ] - [ -0.0062225300000000, 0.0100325900000000, -0.0000223000000000 ] - [ -0.0184620700000000, 0.0058393900000000, 0.0000000000000000 ] - [ -0.0132685000000000, -0.0003944200000000, 0.0000000000000000 ] - [ -0.0117552600000000, 0.0004845600000000, 0.0000000000000000 ] - [ -0.0119907500000000, -0.0002518900000000, 0.0000000000000000 ] - [ -0.0117481200000000, 0.0000692700000000, 0.0000000000000000 ] - [ -0.0118761400000000, -0.0000150600000000, 0.0000000000000000 ] - [ -0.0117743700000000, 0.0000452600000000, 0.0000000000000000 ] - [ -0.0118969000000000, -0.0001037000000000, 0.0000000000000000 ] - [ -0.0015924400000000, -0.0000821400000000, 0.0007271000000000 ] - [ -0.0069407100000000, 0.0023350800000000, -0.0051053400000000 ] - [ -0.0000679800000000, -0.0001278500000000, 0.0000318000000000 ] - [ 0.0002330300000000, 0.0000507600000000, -0.0000001000000000 ] - [ -0.0001741200000000, 0.0000919300000000, -0.0002093900000000 ] - [ -0.0000201400000000, 0.0002348900000000, 0.0002753300000000 ] - [ -0.0001058400000000, -0.0000447700000000, 0.0000298500000000 ] - [ 0.0000869300000000, -0.0000080300000000, 0.0000052400000000 ] - [ 0.0004215800000000, 0.0000372500000000, 0.0002056300000000 ] - [ -0.0002526700000000, -0.0000120000000000, -0.0000111100000000 ] - [ -0.0000723700000000, 0.0001949000000000, 0.0000607100000000 ] - [ 0.0001128100000000, -0.0002607600000000, -0.0001251000000000 ] - [ 0.0021368300000000, -0.0034438100000000, -0.0019888100000000 ] - [ -0.0003748300000000, 0.0000535900000000, 0.0000474400000000 ] - [ -0.0001173000000000, 0.0003084200000000, -0.0000274800000000 ] - [ -0.0006670000000000, -0.0011916300000000, 0.0006450300000000 ] - [ 0.0021368300000000, -0.0034438100000000, 0.0019888100000000 ] - [ -0.0003748300000000, 0.0000535900000000, -0.0000474400000000 ] - [ -0.0001173000000000, 0.0003084200000000, 0.0000274800000000 ] - [ -0.0006670000000000, -0.0011916300000000, -0.0006450300000000 ] - [ 0.0004215800000000, 0.0000372500000000, -0.0002056300000000 ] - [ -0.0002526700000000, -0.0000120000000000, 0.0000111100000000 ] - [ -0.0000723700000000, 0.0001949000000000, -0.0000607100000000 ] - [ 0.0001128100000000, -0.0002607600000000, 0.0001251000000000 ] - [ -0.0001741200000000, 0.0000919300000000, 0.0002093900000000 ] - [ -0.0000201400000000, 0.0002348900000000, -0.0002753300000000 ] - [ -0.0001058400000000, -0.0000447700000000, -0.0000298500000000 ] - [ 0.0000869300000000, -0.0000080300000000, -0.0000052400000000 ] - [ -0.0015924400000000, -0.0000821400000000, -0.0007271000000000 ] - [ -0.0069407100000000, 0.0023350800000000, 0.0051053400000000 ] - [ -0.0000679800000000, -0.0001278500000000, -0.0000318000000000 ] - [ 0.0002330300000000, 0.0000507600000000, 0.0000001000000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0008095800000000, -0.0014022300000000, 0.0012749200000000 ] - [ -0.0000101200000000, -0.0000005800000000, 0.0000188500000000 ] - [ 0.0000300100000000, -0.0000519800000000, 0.0001330800000000 ] - [ 0.0000055700000000, 0.0000084800000000, 0.0000188500000000 ] - [ -0.0000961200000000, 0.0001664800000000, -0.0004431300000000 ] - [ -0.0000075300000000, -0.0000009900000000, -0.0000245500000000 ] - [ 0.0000047400000000, -0.0000082100000000, -0.0000907800000000 ] - [ 0.0000046200000000, 0.0000060300000000, -0.0000245500000000 ] - [ 0.0000957300000000, -0.0001658000000000, -0.0004431400000000 ] - [ 0.0000074500000000, 0.0000011200000000, -0.0000245300000000 ] - [ -0.0000049900000000, 0.0000086400000000, -0.0000900700000000 ] - [ -0.0000047000000000, -0.0000058900000000, -0.0000245300000000 ] - [ -0.0007815300000000, 0.0013536500000000, 0.0013482200000000 ] - [ 0.0000101200000000, 0.0000007200000000, 0.0000192000000000 ] - [ -0.0000303700000000, 0.0000525900000000, 0.0001346400000000 ] - [ -0.0000056800000000, -0.0000084100000000, 0.0000192000000000 ] - [ -0.0613158700000000, -0.0000812000000000, -0.0000659500000000 ] - [ -0.0620353300000000, -0.0002117700000000, 0.0002459500000000 ] - [ -0.0618173400000000, 0.0003692300000000, -0.0000059700000000 ] - [ -0.0618833300000000, -0.0000055000000000, -0.0000049800000000 ] - [ -0.0624328700000000, 0.0000821200000000, -0.0000654100000000 ] - [ -0.0617100700000000, 0.0002135900000000, 0.0002456300000000 ] - [ -0.0619302300000000, -0.0003713400000000, -0.0000048900000000 ] - [ -0.0618641400000000, 0.0000057500000000, -0.0000048600000000 ] - [ -0.0309295700000000, 0.0535715900000000, 0.0021067700000000 ] - [ -0.0309370900000000, 0.0535837300000000, 0.0000414500000000 ] - [ -0.0309371800000000, 0.0535847700000000, 0.0004215700000000 ] - [ -0.0309363300000000, 0.0535841700000000, 0.0000414500000000 ] - [ -0.0309382500000000, 0.0535866100000000, -0.0017820000000000 ] - [ -0.0309373300000000, 0.0535832500000000, -0.0000645000000000 ] - [ -0.0309371300000000, 0.0535846900000000, -0.0001751800000000 ] - [ -0.0309357900000000, 0.0535841400000000, -0.0000645000000000 ] - [ -0.0309728100000000, -0.0536027600000000, 0.0018399700000000 ] - [ -0.0309361600000000, -0.0535840100000000, 0.0001723000000000 ] - [ -0.0309373400000000, -0.0535840000000000, 0.0000488100000000 ] - [ -0.0309372300000000, -0.0535849200000000, 0.0000942700000000 ] - [ -0.0309357500000000, -0.0535842400000000, -0.0005741600000000 ] - [ -0.0309373700000000, -0.0535842100000000, -0.0002412000000000 ] - [ -0.0309370700000000, -0.0535843400000000, -0.0000704800000000 ] - [ -0.0309374600000000, -0.0535842500000000, -0.0001808900000000 ] - [ 0.0312010700000000, 0.0536182900000000, 0.0002459500000000 ] - [ 0.0305889100000000, 0.0537200000000000, -0.0000059700000000 ] - [ 0.0309464300000000, 0.0535897800000000, -0.0000049800000000 ] - [ 0.0307282600000000, 0.0530605100000000, -0.0000659500000000 ] - [ 0.0306700600000000, 0.0535492900000000, 0.0002456300000000 ] - [ 0.0312867100000000, 0.0534474900000000, -0.0000048900000000 ] - [ 0.0309270900000000, 0.0535788000000000, -0.0000048600000000 ] - [ 0.0311453200000000, 0.0541095200000000, -0.0000654100000000 ] - [ 0.0298215600000000, -0.0516524500000000, -0.0026709700000000 ] - [ 0.0309315600000000, -0.0535723400000000, -0.0000396900000000 ] - [ 0.0309830800000000, -0.0536642700000000, 0.0000740900000000 ] - [ 0.0309292300000000, -0.0535736900000000, -0.0000396900000000 ] - [ 0.0320538100000000, -0.0555188200000000, -0.0025897600000000 ] - [ 0.0309451300000000, -0.0535986400000000, -0.0000396600000000 ] - [ 0.0308907700000000, -0.0535043800000000, 0.0000730500000000 ] - [ 0.0309452200000000, -0.0535985900000000, -0.0000396600000000 ] - [ 0.0618745200000000, -0.0000000300000000, 0.0000942700000000 ] - [ 0.0619077600000000, 0.0000218600000000, 0.0018399700000000 ] - [ 0.0618731900000000, -0.0000005100000000, 0.0001723000000000 ] - [ 0.0618737800000000, 0.0000005200000000, 0.0000488100000000 ] - [ 0.0618740500000000, 0.0000005000000000, -0.0001808900000000 ] - [ 0.0618731900000000, -0.0000009800000000, -0.0005741600000000 ] - [ 0.0618739700000000, 0.0000004500000000, -0.0002412000000000 ] - [ 0.0618739300000000, 0.0000001200000000, -0.0000704800000000 ] - [ 0.0058790900000000, -0.0101828900000000, -0.0184780400000000 ] - [ 0.0059100200000000, -0.0102381500000000, -0.0000241300000000 ] - [ 0.0059105600000000, -0.0102373900000000, 0.0000364400000000 ] - [ 0.0059114900000000, -0.0102373100000000, -0.0000241300000000 ] - [ 0.0059079400000000, -0.0102328600000000, 0.0016041000000000 ] - [ 0.0059116200000000, -0.0102380200000000, 0.0000278300000000 ] - [ 0.0059110300000000, -0.0102382100000000, 0.0000031600000000 ] - [ 0.0059105700000000, -0.0102386300000000, 0.0000278300000000 ] - [ 0.0117519100000000, 0.0000067100000000, -0.0000001000000000 ] - [ 0.0138621200000000, 0.0032413500000000, 0.0036976900000000 ] - [ 0.0117620500000000, -0.0000019200000000, 0.0000390700000000 ] - [ 0.0118392400000000, -0.0000894200000000, 0.0000001600000000 ] - [ 0.0118918000000000, -0.0000059500000000, -0.0000004400000000 ] - [ 0.0097634600000000, -0.0032817800000000, 0.0037457200000000 ] - [ 0.0118823100000000, 0.0000041400000000, 0.0000384500000000 ] - [ 0.0118026300000000, 0.0000894600000000, -0.0000002400000000 ] - [ 0.0059095500000000, 0.0102360100000000, 0.0000658400000000 ] - [ 0.0059110900000000, 0.0102377100000000, 0.0000649500000000 ] - [ 0.0059100100000000, 0.0102388300000000, -0.0000116300000000 ] - [ 0.0059093800000000, 0.0102452100000000, -0.0020661300000000 ] - [ 0.0059109300000000, 0.0102396000000000, -0.0000077200000000 ] - [ 0.0059109400000000, 0.0102373300000000, -0.0000068900000000 ] - [ 0.0059097900000000, 0.0102389800000000, 0.0000211300000000 ] - [ 0.0059125200000000, 0.0102374300000000, 0.0002193500000000 ] - [ -0.0097381500000000, -0.0103842700000000, 0.0036976900000000 ] - [ -0.0058793600000000, -0.0101871900000000, 0.0000390700000000 ] - [ -0.0058421800000000, -0.0102977900000000, 0.0000001600000000 ] - [ -0.0058817700000000, -0.0101741000000000, -0.0000001000000000 ] - [ -0.0020396200000000, -0.0100963000000000, 0.0037457200000000 ] - [ -0.0059447400000000, -0.0102883100000000, 0.0000384500000000 ] - [ -0.0059787900000000, -0.0101766500000000, -0.0000002400000000 ] - [ -0.0059407500000000, -0.0103015800000000, -0.0000004400000000 ] - [ -0.0054634700000000, 0.0094630100000000, -0.0002516700000000 ] - [ -0.0058796700000000, 0.0102456200000000, 0.0000247900000000 ] - [ -0.0063376200000000, 0.0109770900000000, 0.0005386400000000 ] - [ -0.0059331300000000, 0.0102147500000000, 0.0000247900000000 ] - [ -0.0063571700000000, 0.0110109400000000, -0.0002505300000000 ] - [ -0.0059425900000000, 0.0102313300000000, 0.0000246400000000 ] - [ -0.0054875000000000, 0.0095046400000000, 0.0005385400000000 ] - [ -0.0058892900000000, 0.0102621000000000, 0.0000246400000000 ] - [ -0.0118273000000000, 0.0000049400000000, -0.0020661300000000 ] - [ -0.0118194200000000, 0.0000001900000000, 0.0000658400000000 ] - [ -0.0118216700000000, -0.0000003000000000, 0.0000649500000000 ] - [ -0.0118220900000000, 0.0000012000000000, -0.0000116300000000 ] - [ -0.0118221400000000, -0.0000016800000000, 0.0002193500000000 ] - [ -0.0118232200000000, 0.0000007900000000, -0.0000077200000000 ] - [ -0.0118212600000000, -0.0000003600000000, -0.0000068900000000 ] - [ -0.0118221100000000, 0.0000014700000000, 0.0000211300000000 ] - [ -0.0000483000000000, -0.0000553600000000, 0.0000220400000000 ] - [ 0.0045927900000000, -0.0006898500000000, 0.0003042500000000 ] - [ -0.0000348200000000, -0.0000366200000000, -0.0000452400000000 ] - [ -0.0000430600000000, 0.0000466100000000, -0.0000768800000000 ] - [ 0.0000189900000000, 0.0000832300000000, 0.0000975100000000 ] - [ -0.0009042900000000, -0.0000377900000000, 0.0007032400000000 ] - [ 0.0000307000000000, 0.0000557000000000, 0.0000780400000000 ] - [ 0.0000508100000000, -0.0000626500000000, 0.0000902400000000 ] - [ -0.0004874400000000, -0.0007640400000000, 0.0007002000000000 ] - [ 0.0000645400000000, -0.0000009600000000, 0.0000787900000000 ] - [ -0.0000265300000000, 0.0000752400000000, 0.0000902300000000 ] - [ 0.0000816700000000, -0.0000245500000000, 0.0000983600000000 ] - [ 0.0017078900000000, 0.0043417900000000, 0.0002838600000000 ] - [ -0.0000498200000000, -0.0000114100000000, -0.0000449500000000 ] - [ 0.0000210200000000, -0.0000590900000000, -0.0000787000000000 ] - [ -0.0000701700000000, -0.0000135400000000, 0.0000209400000000 ] - [ -0.0016989700000000, -0.0043224000000000, 0.0003042500000000 ] - [ 0.0000491200000000, 0.0000118500000000, -0.0000452400000000 ] - [ -0.0000188300000000, 0.0000606000000000, -0.0000768800000000 ] - [ 0.0000720900000000, 0.0000141500000000, 0.0000220400000000 ] - [ 0.0004848700000000, 0.0007642400000000, 0.0007032400000000 ] - [ -0.0000635800000000, 0.0000012600000000, 0.0000780400000000 ] - [ 0.0000288500000000, -0.0000753300000000, 0.0000902400000000 ] - [ -0.0000815800000000, 0.0000251700000000, 0.0000975100000000 ] - [ -0.0000195800000000, -0.0000830100000000, 0.0000983600000000 ] - [ 0.0009054000000000, 0.0000401200000000, 0.0007002000000000 ] - [ -0.0000314400000000, -0.0000563700000000, 0.0000787900000000 ] - [ -0.0000519000000000, 0.0000606000000000, 0.0000902300000000 ] - [ 0.0000468100000000, 0.0000540000000000, 0.0000209400000000 ] - [ -0.0046140500000000, 0.0006918200000000, 0.0002838600000000 ] - [ 0.0000347900000000, 0.0000374400000000, -0.0000449500000000 ] - [ 0.0000406700000000, -0.0000477500000000, -0.0000787000000000 ]- atom: 113 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002038000000000, -0.0003538400000000, -0.0000877100000000 ] - [ -0.0002018200000000, 0.0003548000000000, -0.0000891400000000 ] - [ -0.0001157500000000, -0.0000001200000000, 0.0000000400000000 ] - [ 0.0004109200000000, -0.0000005200000000, 0.0001768800000000 ] - [ -0.0000237900000000, -0.0001108600000000, 0.0000117000000000 ] - [ -0.0000235300000000, 0.0001109400000000, 0.0000120500000000 ] - [ -0.0000910100000000, -0.0000001300000000, 0.0000000000000000 ] - [ 0.0001684600000000, -0.0000003500000000, -0.0000236900000000 ] - [ -0.0000882000000000, -0.0001207100000000, -0.0001282200000000 ] - [ -0.0001425800000000, 0.0003516100000000, 0.0002061700000000 ] - [ -0.0001058100000000, -0.0000256200000000, 0.0000000600000000 ] - [ 0.0002948100000000, 0.0001618300000000, -0.0000775800000000 ] - [ -0.0001418400000000, -0.0003510400000000, 0.0002057300000000 ] - [ -0.0000865300000000, 0.0001222300000000, -0.0001278400000000 ] - [ -0.0001059000000000, 0.0000253600000000, 0.0000000000000000 ] - [ 0.0002945400000000, -0.0001630100000000, -0.0000781100000000 ] - [ -0.0591450400000000, 0.0000190000000000, 0.0006830200000000 ] - [ -0.0624054100000000, 0.0003045600000000, -0.0000095000000000 ] - [ -0.0622390700000000, 0.0004208600000000, -0.0001408000000000 ] - [ -0.0618944600000000, -0.0007112400000000, 0.0001695900000000 ] - [ -0.0612163500000000, -0.0003700000000000, -0.0002700400000000 ] - [ -0.0620942000000000, 0.0000872300000000, 0.0000195900000000 ] - [ -0.0620369800000000, 0.0002859100000000, 0.0000985800000000 ] - [ -0.0618869700000000, -0.0002913400000000, -0.0001571400000000 ] - [ -0.0317686300000000, 0.0537984700000000, 0.0001106600000000 ] - [ -0.0271458600000000, 0.0550715400000000, 0.0019044100000000 ] - [ -0.0308846800000000, 0.0530390100000000, 0.0001306900000000 ] - [ -0.0310714300000000, 0.0538433500000000, 0.0000064700000000 ] - [ -0.0312973800000000, 0.0536676500000000, -0.0000346000000000 ] - [ -0.0300344500000000, 0.0531042900000000, 0.0007205200000000 ] - [ -0.0310386600000000, 0.0533411600000000, -0.0001295700000000 ] - [ -0.0309705900000000, 0.0537677900000000, -0.0000006700000000 ] - [ -0.0265235300000000, -0.0537430800000000, -0.0024815500000000 ] - [ -0.0320105300000000, -0.0535662100000000, -0.0003001400000000 ] - [ -0.0309835800000000, -0.0532851700000000, 0.0000289300000000 ] - [ -0.0307818800000000, -0.0539490400000000, 0.0000032100000000 ] - [ -0.0308927100000000, -0.0538495400000000, -0.0004477900000000 ] - [ -0.0314548800000000, -0.0534832300000000, 0.0002857200000000 ] - [ -0.0308786000000000, -0.0535143900000000, -0.0000637800000000 ] - [ -0.0308287600000000, -0.0536972700000000, -0.0000190600000000 ] - [ 0.0346810300000000, 0.0521621200000000, 0.0018480900000000 ] - [ 0.0301049400000000, 0.0533686500000000, 0.0001124100000000 ] - [ 0.0309902800000000, 0.0541314300000000, 0.0001302000000000 ] - [ 0.0308000100000000, 0.0533241000000000, 0.0000069500000000 ] - [ 0.0318391200000000, 0.0540610100000000, 0.0007132200000000 ] - [ 0.0305760100000000, 0.0535008300000000, -0.0000348200000000 ] - [ 0.0308358900000000, 0.0538261500000000, -0.0001275600000000 ] - [ 0.0309030400000000, 0.0534006600000000, 0.0000000000000000 ] - [ 0.0298678900000000, -0.0536047400000000, -0.0002987200000000 ] - [ 0.0356015200000000, -0.0533764800000000, -0.0026510200000000 ] - [ 0.0308891100000000, -0.0538861100000000, 0.0000297600000000 ] - [ 0.0310915100000000, -0.0532193500000000, 0.0000030200000000 ] - [ 0.0304171200000000, -0.0536853300000000, 0.0002872700000000 ] - [ 0.0309818000000000, -0.0533184200000000, -0.0004466700000000 ] - [ 0.0309943900000000, -0.0536543500000000, -0.0000633900000000 ] - [ 0.0310447100000000, -0.0534720300000000, -0.0000187800000000 ] - [ 0.0646140300000000, -0.0000429100000000, 0.0006948400000000 ] - [ 0.0613424000000000, -0.0003039800000000, -0.0000101400000000 ] - [ 0.0618549200000000, 0.0007086100000000, 0.0001687600000000 ] - [ 0.0615084200000000, -0.0004226800000000, -0.0001412800000000 ] - [ 0.0625330400000000, 0.0003717500000000, -0.0002689700000000 ] - [ 0.0616537500000000, -0.0000870700000000, 0.0000193900000000 ] - [ 0.0618619800000000, 0.0002905800000000, -0.0001587500000000 ] - [ 0.0617110900000000, -0.0002856900000000, 0.0000978400000000 ] - [ 0.0075036700000000, -0.0095858400000000, -0.0000469100000000 ] - [ 0.0128517400000000, -0.0120416400000000, 0.0046336800000000 ] - [ 0.0059809300000000, -0.0101185200000000, -0.0000349400000000 ] - [ 0.0056812700000000, -0.0103514800000000, -0.0000418300000000 ] - [ 0.0060851200000000, -0.0101454300000000, 0.0000190100000000 ] - [ 0.0059373100000000, -0.0105359200000000, -0.0009055100000000 ] - [ 0.0060163400000000, -0.0101444200000000, 0.0000313900000000 ] - [ 0.0058252800000000, -0.0103467400000000, 0.0000519200000000 ] - [ 0.0132353400000000, -0.0055114200000000, -0.0029068500000000 ] - [ 0.0120813600000000, 0.0002310600000000, 0.0000613200000000 ] - [ 0.0118481200000000, -0.0008186600000000, -0.0000244900000000 ] - [ 0.0119838300000000, 0.0001801000000000, -0.0000151200000000 ] - [ 0.0118613100000000, -0.0002271200000000, 0.0004163600000000 ] - [ 0.0119806300000000, 0.0001507500000000, -0.0000786000000000 ] - [ 0.0117103400000000, -0.0002558000000000, 0.0000622700000000 ] - [ 0.0119541000000000, 0.0000609600000000, 0.0000336300000000 ] - [ 0.0037752900000000, 0.0073316500000000, -0.0017084100000000 ] - [ 0.0062882200000000, 0.0102905300000000, 0.0000491700000000 ] - [ 0.0065772000000000, 0.0096215700000000, 0.0000709000000000 ] - [ 0.0060300600000000, 0.0104922200000000, -0.0000198300000000 ] - [ 0.0054880600000000, 0.0102196800000000, 0.0004867800000000 ] - [ 0.0061644700000000, 0.0102808100000000, -0.0000647200000000 ] - [ 0.0058022600000000, 0.0101688600000000, -0.0000823600000000 ] - [ 0.0059849700000000, 0.0103234000000000, 0.0000267300000000 ] - [ 0.0009549500000000, -0.0084664900000000, 0.0045729900000000 ] - [ -0.0043171500000000, -0.0108983000000000, -0.0000469800000000 ] - [ -0.0058456500000000, -0.0103642400000000, -0.0000344600000000 ] - [ -0.0061446600000000, -0.0101314800000000, -0.0000419600000000 ] - [ -0.0058931700000000, -0.0099470800000000, -0.0009036900000000 ] - [ -0.0057404100000000, -0.0103390700000000, 0.0000198200000000 ] - [ -0.0058089000000000, -0.0103386100000000, 0.0000313800000000 ] - [ -0.0060002400000000, -0.0101356800000000, 0.0000520300000000 ] - [ -0.0055385100000000, 0.0101941700000000, 0.0000491300000000 ] - [ -0.0080702900000000, 0.0131348100000000, -0.0016990300000000 ] - [ -0.0052453100000000, 0.0108655400000000, 0.0000713100000000 ] - [ -0.0057960400000000, 0.0099910900000000, -0.0000197000000000 ] - [ -0.0056600800000000, 0.0102025900000000, -0.0000642200000000 ] - [ -0.0063331200000000, 0.0102639300000000, 0.0004848200000000 ] - [ -0.0060232900000000, 0.0103142400000000, -0.0000817100000000 ] - [ -0.0058398200000000, 0.0101601200000000, 0.0000271500000000 ] - [ -0.0104096500000000, 0.0054747700000000, -0.0028921500000000 ] - [ -0.0115713400000000, -0.0002318700000000, 0.0000619800000000 ] - [ -0.0116694600000000, -0.0001802400000000, -0.0000143500000000 ] - [ -0.0118033600000000, 0.0008214100000000, -0.0000232900000000 ] - [ -0.0117906900000000, 0.0002260400000000, 0.0004205700000000 ] - [ -0.0116708800000000, -0.0001502500000000, -0.0000791300000000 ] - [ -0.0116984500000000, -0.0000600700000000, 0.0000328500000000 ] - [ -0.0119413800000000, 0.0002591500000000, 0.0000626900000000 ] - [ -0.0334343800000000, -0.0000192700000000, 0.0000017900000000 ] - [ 0.0006210900000000, 0.0000003500000000, -0.0000322200000000 ] - [ 0.0000936900000000, -0.0003033700000000, 0.0000165600000000 ] - [ 0.0000949200000000, 0.0003050100000000, 0.0000161000000000 ] - [ -0.0004457100000000, -0.0000007300000000, -0.0000000300000000 ] - [ 0.0003292700000000, -0.0000002300000000, -0.0000632200000000 ] - [ -0.0000263700000000, -0.0002047300000000, 0.0000320600000000 ] - [ -0.0000265900000000, 0.0002057200000000, 0.0000321300000000 ] - [ 0.0006899900000000, -0.0002299800000000, 0.0005174200000000 ] - [ 0.0006938000000000, 0.0007877600000000, -0.0006786200000000 ] - [ -0.0001933600000000, 0.0002789100000000, 0.0001586400000000 ] - [ 0.0000282600000000, -0.0000646700000000, -0.0000010500000000 ] - [ 0.0006861800000000, -0.0007880100000000, -0.0006736600000000 ] - [ 0.0006904600000000, 0.0002311000000000, 0.0005193400000000 ] - [ -0.0001909300000000, -0.0002774600000000, 0.0001561900000000 ] - [ 0.0000281300000000, 0.0000638900000000, 0.0000000300000000 ] - [ 0.0008884900000000, -0.0009055700000000, 0.0003121800000000 ] - [ 0.0008937900000000, 0.0009096500000000, 0.0003097200000000 ] - [ -0.0006817400000000, 0.0000018500000000, -0.0006216000000000 ] - [ 0.0000361100000000, -0.0000002700000000, 0.0000004500000000 ] - [ 0.0001534900000000, -0.0000823900000000, -0.0000540900000000 ] - [ 0.0001554900000000, 0.0000817700000000, -0.0000551400000000 ] - [ 0.0000127000000000, -0.0000008500000000, 0.0001099300000000 ] - [ 0.0000119000000000, -0.0000001700000000, 0.0000006300000000 ] - [ -0.0040441900000000, -0.0000005400000000, 0.0000326700000000 ] - [ 0.0004655400000000, -0.0000218100000000, 0.0000158500000000 ] - [ 0.0000309400000000, -0.0002286500000000, -0.0000006000000000 ] - [ 0.0000692800000000, 0.0002520200000000, -0.0000175200000000 ] - [ -0.0040389100000000, -0.0000009900000000, -0.0000327600000000 ] - [ 0.0004674600000000, 0.0000219300000000, 0.0000171900000000 ] - [ 0.0000687300000000, -0.0002511200000000, -0.0000166500000000 ] - [ 0.0000307000000000, 0.0002301200000000, -0.0000000600000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001109900000000, 0.0001934700000000, 0.0004879300000000 ] - [ -0.0001120600000000, -0.0001928500000000, 0.0004879300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001198000000000 ] - [ 0.0002230400000000, -0.0000006200000000, 0.0004879300000000 ] - [ 0.0000097200000000, -0.0000171900000000, -0.0001616400000000 ] - [ 0.0000100200000000, 0.0000170100000000, -0.0001616400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000565200000000 ] - [ -0.0000197400000000, 0.0000001800000000, -0.0001616400000000 ] - [ -0.0002041400000000, -0.0000180500000000, -0.0001612600000000 ] - [ 0.0001177000000000, -0.0001677700000000, -0.0001612600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000191900000000 ] - [ 0.0000864400000000, 0.0001858200000000, -0.0001612600000000 ] - [ 0.0001182600000000, 0.0001674400000000, -0.0001612000000000 ] - [ -0.0002041400000000, 0.0000186900000000, -0.0001612000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000190200000000 ] - [ 0.0000858800000000, -0.0001861400000000, -0.0001612000000000 ] - [ -0.0611478500000000, 0.0012373900000000, 0.0038547400000000 ] - [ -0.0616468600000000, -0.0002114000000000, 0.0000754700000000 ] - [ -0.0621122800000000, 0.0000976000000000, 0.0001360600000000 ] - [ -0.0616406600000000, 0.0002794800000000, 0.0002550600000000 ] - [ -0.0616047200000000, 0.0004285500000000, -0.0009845000000000 ] - [ -0.0619363100000000, 0.0000060300000000, -0.0001381300000000 ] - [ -0.0618375900000000, -0.0001244200000000, -0.0001821700000000 ] - [ -0.0619706000000000, -0.0001795800000000, -0.0003053100000000 ] - [ -0.0307346300000000, 0.0534251200000000, 0.0001362500000000 ] - [ -0.0301598800000000, 0.0549041600000000, 0.0039165600000000 ] - [ -0.0308119800000000, 0.0539296400000000, 0.0002549600000000 ] - [ -0.0312329300000000, 0.0536749000000000, 0.0000742600000000 ] - [ -0.0310621600000000, 0.0535518900000000, -0.0001827900000000 ] - [ -0.0307058400000000, 0.0540228800000000, -0.0009831600000000 ] - [ -0.0310437100000000, 0.0534102000000000, -0.0003073100000000 ] - [ -0.0309017400000000, 0.0535340400000000, -0.0001379000000000 ] - [ -0.0324684600000000, -0.0535713000000000, 0.0039165600000000 ] - [ -0.0312984500000000, -0.0536487800000000, 0.0002549600000000 ] - [ -0.0309002000000000, -0.0533295300000000, 0.0001362500000000 ] - [ -0.0308673600000000, -0.0538859600000000, 0.0000742600000000 ] - [ -0.0314322700000000, -0.0536034800000000, -0.0009831600000000 ] - [ -0.0307327400000000, -0.0535897400000000, -0.0003073100000000 ] - [ -0.0308462200000000, -0.0536765600000000, -0.0001827900000000 ] - [ -0.0309109700000000, -0.0535287100000000, -0.0001379000000000 ] - [ 0.0316455400000000, 0.0523369000000000, 0.0038547400000000 ] - [ 0.0311406600000000, 0.0537420100000000, 0.0001360600000000 ] - [ 0.0310623600000000, 0.0532426400000000, 0.0002550600000000 ] - [ 0.0306403500000000, 0.0534934500000000, 0.0000754700000000 ] - [ 0.0311734900000000, 0.0531369800000000, -0.0009845000000000 ] - [ 0.0308110400000000, 0.0536151300000000, -0.0001821700000000 ] - [ 0.0308297800000000, 0.0537579000000000, -0.0003053100000000 ] - [ 0.0309733700000000, 0.0536354000000000, -0.0001381300000000 ] - [ 0.0305783000000000, -0.0535221200000000, 0.0002550600000000 ] - [ 0.0295023200000000, -0.0535742900000000, 0.0038547400000000 ] - [ 0.0309716200000000, -0.0538396100000000, 0.0001360600000000 ] - [ 0.0310065100000000, -0.0532820500000000, 0.0000754700000000 ] - [ 0.0311408200000000, -0.0535783300000000, -0.0003053100000000 ] - [ 0.0304312300000000, -0.0535655200000000, -0.0009845000000000 ] - [ 0.0310265400000000, -0.0534907100000000, -0.0001821700000000 ] - [ 0.0309629300000000, -0.0536414300000000, -0.0001381300000000 ] - [ 0.0626283400000000, -0.0013328600000000, 0.0039165600000000 ] - [ 0.0621002900000000, 0.0002110600000000, 0.0000742600000000 ] - [ 0.0621104300000000, -0.0002808600000000, 0.0002549600000000 ] - [ 0.0616348300000000, -0.0000955900000000, 0.0001362500000000 ] - [ 0.0621381100000000, -0.0004194000000000, -0.0009831600000000 ] - [ 0.0618127100000000, -0.0000053300000000, -0.0001379000000000 ] - [ 0.0617764500000000, 0.0001795400000000, -0.0003073100000000 ] - [ 0.0619083800000000, 0.0001246700000000, -0.0001827900000000 ] - [ 0.0051830200000000, -0.0105658300000000, 0.0000219000000000 ] - [ 0.0109909400000000, -0.0108756000000000, 0.0002852900000000 ] - [ 0.0058802000000000, -0.0102764100000000, -0.0000455600000000 ] - [ 0.0059117800000000, -0.0102067600000000, -0.0000769900000000 ] - [ 0.0061184000000000, -0.0102137200000000, 0.0000977400000000 ] - [ 0.0056362800000000, -0.0103175400000000, 0.0007023000000000 ] - [ 0.0058818800000000, -0.0102076400000000, 0.0000790000000000 ] - [ 0.0059066200000000, -0.0103053600000000, 0.0000897900000000 ] - [ 0.0087384900000000, 0.0040671000000000, 0.0003031800000000 ] - [ 0.0118493700000000, 0.0000184400000000, -0.0000774100000000 ] - [ 0.0119003300000000, -0.0007921800000000, 0.0000202600000000 ] - [ 0.0118040100000000, -0.0000458800000000, -0.0000453800000000 ] - [ 0.0118912400000000, -0.0002788100000000, 0.0007001200000000 ] - [ 0.0117664500000000, -0.0000384400000000, 0.0000900900000000 ] - [ 0.0117392400000000, 0.0001938400000000, 0.0000981800000000 ] - [ 0.0118638900000000, -0.0000100400000000, 0.0000786100000000 ] - [ 0.0039230800000000, 0.0149562400000000, 0.0002852900000000 ] - [ 0.0059595300000000, 0.0102306000000000, -0.0000455600000000 ] - [ 0.0065587600000000, 0.0097715400000000, 0.0000219000000000 ] - [ 0.0058834300000000, 0.0102231300000000, -0.0000769900000000 ] - [ 0.0061171100000000, 0.0100399400000000, 0.0007023000000000 ] - [ 0.0058991400000000, 0.0101976800000000, 0.0000790000000000 ] - [ 0.0057861400000000, 0.0104055500000000, 0.0000977400000000 ] - [ 0.0059713900000000, 0.0102679600000000, 0.0000897900000000 ] - [ -0.0008470300000000, -0.0096013000000000, 0.0003031800000000 ] - [ -0.0066362100000000, -0.0099099000000000, 0.0000202600000000 ] - [ -0.0059417400000000, -0.0101996300000000, -0.0000453800000000 ] - [ -0.0059087200000000, -0.0102710700000000, -0.0000774100000000 ] - [ -0.0061870800000000, -0.0101587100000000, 0.0007001200000000 ] - [ -0.0057017500000000, -0.0102634000000000, 0.0000981800000000 ] - [ -0.0059406400000000, -0.0102694200000000, 0.0000786100000000 ] - [ -0.0059165100000000, -0.0101708200000000, 0.0000900900000000 ] - [ -0.0058622700000000, 0.0102455200000000, -0.0000453800000000 ] - [ -0.0078914500000000, 0.0055342000000000, 0.0003031800000000 ] - [ -0.0052641200000000, 0.0107020800000000, 0.0000202600000000 ] - [ -0.0059406500000000, 0.0102526400000000, -0.0000774100000000 ] - [ -0.0059232600000000, 0.0102794500000000, 0.0000786100000000 ] - [ -0.0057041600000000, 0.0104375300000000, 0.0007001200000000 ] - [ -0.0060374900000000, 0.0100695600000000, 0.0000981800000000 ] - [ -0.0058499300000000, 0.0102092600000000, 0.0000900900000000 ] - [ -0.0149140200000000, -0.0040806300000000, 0.0002852900000000 ] - [ -0.0117952100000000, -0.0000163700000000, -0.0000769900000000 ] - [ -0.0118397300000000, 0.0000458000000000, -0.0000455600000000 ] - [ -0.0117417800000000, 0.0007942900000000, 0.0000219000000000 ] - [ -0.0117534000000000, 0.0002776000000000, 0.0007023000000000 ] - [ -0.0118780100000000, 0.0000373900000000, 0.0000897900000000 ] - [ -0.0117810200000000, 0.0000099600000000, 0.0000790000000000 ] - [ -0.0119045400000000, -0.0001918300000000, 0.0000977400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0572196400000000 ] - [ -0.0000320300000000, 0.0000002000000000, -0.0001745900000000 ] - [ 0.0000158400000000, -0.0000278400000000, -0.0001745900000000 ] - [ 0.0000161900000000, 0.0000276300000000, -0.0001745900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011576500000000 ] - [ -0.0000636700000000, -0.0000003500000000, 0.0001900300000000 ] - [ 0.0000321300000000, -0.0000549700000000, 0.0001900300000000 ] - [ 0.0000315400000000, 0.0000553100000000, 0.0001900300000000 ] - [ 0.0006748700000000, -0.0002072400000000, 0.0005683600000000 ] - [ -0.0005169200000000, -0.0004808300000000, 0.0005683600000000 ] - [ -0.0001579600000000, 0.0006880800000000, 0.0005683600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001336300000000 ] - [ -0.0005194400000000, 0.0004802400000000, 0.0005672400000000 ] - [ 0.0006756200000000, 0.0002097300000000, 0.0005672400000000 ] - [ -0.0001561800000000, -0.0006899700000000, 0.0005672400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001352600000000 ] - [ 0.0003104000000000, 0.0005372900000000, -0.0012350700000000 ] - [ 0.0003101100000000, -0.0005374600000000, -0.0012350700000000 ] - [ -0.0006205100000000, 0.0000001700000000, -0.0012350700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002485100000000 ] - [ -0.0000554700000000, -0.0000947300000000, 0.0003843700000000 ] - [ -0.0000543000000000, 0.0000954100000000, 0.0003843700000000 ] - [ 0.0001097800000000, -0.0000006800000000, 0.0003843700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001468100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0154146900000000 ] - [ -0.0000157800000000, 0.0000101600000000, 0.0000894400000000 ] - [ -0.0000009100000000, -0.0000187500000000, 0.0000894400000000 ] - [ 0.0000166900000000, 0.0000085900000000, 0.0000894400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0155936900000000 ] - [ -0.0000175000000000, -0.0000103900000000, 0.0000903200000000 ] - [ 0.0000177500000000, -0.0000099500000000, 0.0000903200000000 ] - [ -0.0000002500000000, 0.0000203500000000, 0.0000903200000000 ]