# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/09881a99-f48d-4177-ae1a-d897a8211bd5/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 Sr2HfO4 / P4_2/ncm (138) / materials id 754761](https://mdr.nims.go.jp/datasets/6635a100-90c1-4b18-ba66-b2de3e8a2985) ## 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: "P4_2/ncm" number: 138 Hall_symbol: "P 4n 2ab -1n"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 5.792700450000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.792700450000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.488457100000000 ] # c points: - symbol: Sr # 1 coordinates: [ 0.235549160000000, 0.735549160000000, 0.398058710000000 ] mass: 87.620000 - symbol: Sr # 2 coordinates: [ 0.764450840000000, 0.735549160000000, 0.898058710000000 ] mass: 87.620000 - symbol: Sr # 3 coordinates: [ 0.235549160000000, 0.264450840000000, 0.898058710000000 ] mass: 87.620000 - symbol: Sr # 4 coordinates: [ 0.764450840000000, 0.264450840000000, 0.398058710000000 ] mass: 87.620000 - symbol: Sr # 5 coordinates: [ 0.735549160000000, 0.235549160000000, 0.101941290000000 ] mass: 87.620000 - symbol: Sr # 6 coordinates: [ 0.264450840000000, 0.235549160000000, 0.601941290000000 ] mass: 87.620000 - symbol: Sr # 7 coordinates: [ 0.735549160000000, 0.764450840000000, 0.601941290000000 ] mass: 87.620000 - symbol: Sr # 8 coordinates: [ 0.264450840000000, 0.764450840000000, 0.101941290000000 ] mass: 87.620000 - symbol: Hf # 9 coordinates: [ 0.250000000000000, 0.750000000000000, 0.750000000000000 ] mass: 178.490000 - symbol: Hf # 10 coordinates: [ 0.750000000000000, 0.750000000000000, 0.250000000000000 ] mass: 178.490000 - symbol: Hf # 11 coordinates: [ 0.750000000000000, 0.250000000000000, 0.750000000000000 ] mass: 178.490000 - symbol: Hf # 12 coordinates: [ 0.250000000000000, 0.250000000000000, 0.250000000000000 ] mass: 178.490000 - symbol: O # 13 coordinates: [ 0.795745510000000, 0.704254490000000, 0.413625980000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.204254490000000, 0.704254490000000, 0.913625980000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.000000000000000, 0.500000000000000, 0.722989830000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.000000000000000, 0.500000000000000, 0.222989830000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.500000000000000, 0.500000000000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.500000000000000, 0.500000000000000, 0.250000000000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.795745510000000, 0.295745510000000, 0.913625980000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.204254490000000, 0.295745510000000, 0.413625980000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.704254490000000, 0.204254490000000, 0.586374020000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.295745510000000, 0.204254490000000, 0.086374020000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.500000000000000, 0.000000000000000, 0.277010170000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.500000000000000, 0.000000000000000, 0.777010170000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.295745510000000, 0.795745510000000, 0.586374020000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.704254490000000, 0.795745510000000, 0.086374020000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.172631056729336, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.172631056729336, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.080073942841186 ] # c*unit_cell: lattice: - [ 5.792700450000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.792700450000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.488457100000000 ] # c points: - symbol: Sr # 1 coordinates: [ 0.235549160000000, 0.735549160000000, 0.398058710000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 2 coordinates: [ 0.764450840000000, 0.735549160000000, 0.898058710000000 ] mass: 87.620000 reduced_to: 2 - symbol: Sr # 3 coordinates: [ 0.235549160000000, 0.264450840000000, 0.898058710000000 ] mass: 87.620000 reduced_to: 3 - symbol: Sr # 4 coordinates: [ 0.764450840000000, 0.264450840000000, 0.398058710000000 ] mass: 87.620000 reduced_to: 4 - symbol: Sr # 5 coordinates: [ 0.735549160000000, 0.235549160000000, 0.101941290000000 ] mass: 87.620000 reduced_to: 5 - symbol: Sr # 6 coordinates: [ 0.264450840000000, 0.235549160000000, 0.601941290000000 ] mass: 87.620000 reduced_to: 6 - symbol: Sr # 7 coordinates: [ 0.735549160000000, 0.764450840000000, 0.601941290000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 8 coordinates: [ 0.264450840000000, 0.764450840000000, 0.101941290000000 ] mass: 87.620000 reduced_to: 8 - symbol: Hf # 9 coordinates: [ 0.250000000000000, 0.750000000000000, 0.750000000000000 ] mass: 178.490000 reduced_to: 9 - symbol: Hf # 10 coordinates: [ 0.750000000000000, 0.750000000000000, 0.250000000000000 ] mass: 178.490000 reduced_to: 10 - symbol: Hf # 11 coordinates: [ 0.750000000000000, 0.250000000000000, 0.750000000000000 ] mass: 178.490000 reduced_to: 11 - symbol: Hf # 12 coordinates: [ 0.250000000000000, 0.250000000000000, 0.250000000000000 ] mass: 178.490000 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.795745510000000, 0.704254490000000, 0.413625980000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.204254490000000, 0.704254490000000, 0.913625980000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.000000000000000, 0.500000000000000, 0.722989830000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.000000000000000, 0.500000000000000, 0.222989830000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.500000000000000, 0.500000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.500000000000000, 0.500000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.795745510000000, 0.295745510000000, 0.913625980000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.204254490000000, 0.295745510000000, 0.413625980000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.704254490000000, 0.204254490000000, 0.586374020000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.295745510000000, 0.204254490000000, 0.086374020000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.500000000000000, 0.000000000000000, 0.277010170000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.500000000000000, 0.000000000000000, 0.777010170000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.295745510000000, 0.795745510000000, 0.586374020000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.704254490000000, 0.795745510000000, 0.086374020000000 ] mass: 15.999400 reduced_to: 28supercell: lattice: - [ 11.585400900000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 11.585400900000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.488457100000000 ] # c points: - symbol: Sr # 1 coordinates: [ 0.117774580000000, 0.367774580000000, 0.398058710000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 2 coordinates: [ 0.617774580000000, 0.367774580000000, 0.398058710000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 3 coordinates: [ 0.117774580000000, 0.867774580000000, 0.398058710000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 4 coordinates: [ 0.617774580000000, 0.867774580000000, 0.398058710000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 5 coordinates: [ 0.382225420000000, 0.367774580000000, 0.898058710000000 ] mass: 87.620000 reduced_to: 5 - symbol: Sr # 6 coordinates: [ 0.882225420000000, 0.367774580000000, 0.898058710000000 ] mass: 87.620000 reduced_to: 5 - symbol: Sr # 7 coordinates: [ 0.382225420000000, 0.867774580000000, 0.898058710000000 ] mass: 87.620000 reduced_to: 5 - symbol: Sr # 8 coordinates: [ 0.882225420000000, 0.867774580000000, 0.898058710000000 ] mass: 87.620000 reduced_to: 5 - symbol: Sr # 9 coordinates: [ 0.117774580000000, 0.132225420000000, 0.898058710000000 ] mass: 87.620000 reduced_to: 9 - symbol: Sr # 10 coordinates: [ 0.617774580000000, 0.132225420000000, 0.898058710000000 ] mass: 87.620000 reduced_to: 9 - symbol: Sr # 11 coordinates: [ 0.117774580000000, 0.632225420000000, 0.898058710000000 ] mass: 87.620000 reduced_to: 9 - symbol: Sr # 12 coordinates: [ 0.617774580000000, 0.632225420000000, 0.898058710000000 ] mass: 87.620000 reduced_to: 9 - symbol: Sr # 13 coordinates: [ 0.382225420000000, 0.132225420000000, 0.398058710000000 ] mass: 87.620000 reduced_to: 13 - symbol: Sr # 14 coordinates: [ 0.882225420000000, 0.132225420000000, 0.398058710000000 ] mass: 87.620000 reduced_to: 13 - symbol: Sr # 15 coordinates: [ 0.382225420000000, 0.632225420000000, 0.398058710000000 ] mass: 87.620000 reduced_to: 13 - symbol: Sr # 16 coordinates: [ 0.882225420000000, 0.632225420000000, 0.398058710000000 ] mass: 87.620000 reduced_to: 13 - symbol: Sr # 17 coordinates: [ 0.367774580000000, 0.117774580000000, 0.101941290000000 ] mass: 87.620000 reduced_to: 17 - symbol: Sr # 18 coordinates: [ 0.867774580000000, 0.117774580000000, 0.101941290000000 ] mass: 87.620000 reduced_to: 17 - symbol: Sr # 19 coordinates: [ 0.367774580000000, 0.617774580000000, 0.101941290000000 ] mass: 87.620000 reduced_to: 17 - symbol: Sr # 20 coordinates: [ 0.867774580000000, 0.617774580000000, 0.101941290000000 ] mass: 87.620000 reduced_to: 17 - symbol: Sr # 21 coordinates: [ 0.132225420000000, 0.117774580000000, 0.601941290000000 ] mass: 87.620000 reduced_to: 21 - symbol: Sr # 22 coordinates: [ 0.632225420000000, 0.117774580000000, 0.601941290000000 ] mass: 87.620000 reduced_to: 21 - symbol: Sr # 23 coordinates: [ 0.132225420000000, 0.617774580000000, 0.601941290000000 ] mass: 87.620000 reduced_to: 21 - symbol: Sr # 24 coordinates: [ 0.632225420000000, 0.617774580000000, 0.601941290000000 ] mass: 87.620000 reduced_to: 21 - symbol: Sr # 25 coordinates: [ 0.367774580000000, 0.382225420000000, 0.601941290000000 ] mass: 87.620000 reduced_to: 25 - symbol: Sr # 26 coordinates: [ 0.867774580000000, 0.382225420000000, 0.601941290000000 ] mass: 87.620000 reduced_to: 25 - symbol: Sr # 27 coordinates: [ 0.367774580000000, 0.882225420000000, 0.601941290000000 ] mass: 87.620000 reduced_to: 25 - symbol: Sr # 28 coordinates: [ 0.867774580000000, 0.882225420000000, 0.601941290000000 ] mass: 87.620000 reduced_to: 25 - symbol: Sr # 29 coordinates: [ 0.132225420000000, 0.382225420000000, 0.101941290000000 ] mass: 87.620000 reduced_to: 29 - symbol: Sr # 30 coordinates: [ 0.632225420000000, 0.382225420000000, 0.101941290000000 ] mass: 87.620000 reduced_to: 29 - symbol: Sr # 31 coordinates: [ 0.132225420000000, 0.882225420000000, 0.101941290000000 ] mass: 87.620000 reduced_to: 29 - symbol: Sr # 32 coordinates: [ 0.632225420000000, 0.882225420000000, 0.101941290000000 ] mass: 87.620000 reduced_to: 29 - symbol: Hf # 33 coordinates: [ 0.125000000000000, 0.375000000000000, 0.750000000000000 ] mass: 178.490000 reduced_to: 33 - symbol: Hf # 34 coordinates: [ 0.625000000000000, 0.375000000000000, 0.750000000000000 ] mass: 178.490000 reduced_to: 33 - symbol: Hf # 35 coordinates: [ 0.125000000000000, 0.875000000000000, 0.750000000000000 ] mass: 178.490000 reduced_to: 33 - symbol: Hf # 36 coordinates: [ 0.625000000000000, 0.875000000000000, 0.750000000000000 ] mass: 178.490000 reduced_to: 33 - symbol: Hf # 37 coordinates: [ 0.375000000000000, 0.375000000000000, 0.250000000000000 ] mass: 178.490000 reduced_to: 37 - symbol: Hf # 38 coordinates: [ 0.875000000000000, 0.375000000000000, 0.250000000000000 ] mass: 178.490000 reduced_to: 37 - symbol: Hf # 39 coordinates: [ 0.375000000000000, 0.875000000000000, 0.250000000000000 ] mass: 178.490000 reduced_to: 37 - symbol: Hf # 40 coordinates: [ 0.875000000000000, 0.875000000000000, 0.250000000000000 ] mass: 178.490000 reduced_to: 37 - symbol: Hf # 41 coordinates: [ 0.375000000000000, 0.125000000000000, 0.750000000000000 ] mass: 178.490000 reduced_to: 41 - symbol: Hf # 42 coordinates: [ 0.875000000000000, 0.125000000000000, 0.750000000000000 ] mass: 178.490000 reduced_to: 41 - symbol: Hf # 43 coordinates: [ 0.375000000000000, 0.625000000000000, 0.750000000000000 ] mass: 178.490000 reduced_to: 41 - symbol: Hf # 44 coordinates: [ 0.875000000000000, 0.625000000000000, 0.750000000000000 ] mass: 178.490000 reduced_to: 41 - symbol: Hf # 45 coordinates: [ 0.125000000000000, 0.125000000000000, 0.250000000000000 ] mass: 178.490000 reduced_to: 45 - symbol: Hf # 46 coordinates: [ 0.625000000000000, 0.125000000000000, 0.250000000000000 ] mass: 178.490000 reduced_to: 45 - symbol: Hf # 47 coordinates: [ 0.125000000000000, 0.625000000000000, 0.250000000000000 ] mass: 178.490000 reduced_to: 45 - symbol: Hf # 48 coordinates: [ 0.625000000000000, 0.625000000000000, 0.250000000000000 ] mass: 178.490000 reduced_to: 45 - symbol: O # 49 coordinates: [ 0.397872755000000, 0.352127245000000, 0.413625980000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.897872755000000, 0.352127245000000, 0.413625980000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.397872755000000, 0.852127245000000, 0.413625980000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.897872755000000, 0.852127245000000, 0.413625980000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.102127245000000, 0.352127245000000, 0.913625980000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.602127245000000, 0.352127245000000, 0.913625980000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.102127245000000, 0.852127245000000, 0.913625980000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.602127245000000, 0.852127245000000, 0.913625980000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.000000000000000, 0.250000000000000, 0.722989830000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.500000000000000, 0.250000000000000, 0.722989830000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.000000000000000, 0.750000000000000, 0.722989830000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.500000000000000, 0.750000000000000, 0.722989830000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.000000000000000, 0.250000000000000, 0.222989830000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.500000000000000, 0.250000000000000, 0.222989830000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.000000000000000, 0.750000000000000, 0.222989830000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.500000000000000, 0.750000000000000, 0.222989830000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.250000000000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.750000000000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.250000000000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.750000000000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.250000000000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.750000000000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.250000000000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 72 coordinates: [ 0.750000000000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 73 coordinates: [ 0.397872755000000, 0.147872755000000, 0.913625980000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.897872755000000, 0.147872755000000, 0.913625980000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.397872755000000, 0.647872755000000, 0.913625980000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.897872755000000, 0.647872755000000, 0.913625980000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.102127245000000, 0.147872755000000, 0.413625980000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.602127245000000, 0.147872755000000, 0.413625980000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.102127245000000, 0.647872755000000, 0.413625980000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 80 coordinates: [ 0.602127245000000, 0.647872755000000, 0.413625980000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 81 coordinates: [ 0.352127245000000, 0.102127245000000, 0.586374020000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.852127245000000, 0.102127245000000, 0.586374020000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.352127245000000, 0.602127245000000, 0.586374020000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 84 coordinates: [ 0.852127245000000, 0.602127245000000, 0.586374020000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 85 coordinates: [ 0.147872755000000, 0.102127245000000, 0.086374020000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.647872755000000, 0.102127245000000, 0.086374020000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.147872755000000, 0.602127245000000, 0.086374020000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.647872755000000, 0.602127245000000, 0.086374020000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 89 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 92 coordinates: [ 0.500000000000000, 0.500000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 93 coordinates: [ 0.250000000000000, 0.000000000000000, 0.277010170000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.750000000000000, 0.000000000000000, 0.277010170000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.250000000000000, 0.500000000000000, 0.277010170000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 96 coordinates: [ 0.750000000000000, 0.500000000000000, 0.277010170000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 97 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 100 coordinates: [ 0.500000000000000, 0.500000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 101 coordinates: [ 0.250000000000000, 0.000000000000000, 0.777010170000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.750000000000000, 0.000000000000000, 0.777010170000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 103 coordinates: [ 0.250000000000000, 0.500000000000000, 0.777010170000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 104 coordinates: [ 0.750000000000000, 0.500000000000000, 0.777010170000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 105 coordinates: [ 0.147872755000000, 0.397872755000000, 0.586374020000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.647872755000000, 0.397872755000000, 0.586374020000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 107 coordinates: [ 0.147872755000000, 0.897872755000000, 0.586374020000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 108 coordinates: [ 0.647872755000000, 0.897872755000000, 0.586374020000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 109 coordinates: [ 0.352127245000000, 0.397872755000000, 0.086374020000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.852127245000000, 0.397872755000000, 0.086374020000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.352127245000000, 0.897872755000000, 0.086374020000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 112 coordinates: [ 0.852127245000000, 0.897872755000000, 0.086374020000000 ] mass: 15.999400 reduced_to: 109born_effective_charge:- # 1 (Sr) - [ 2.366316310000000, 0.086269530000000, 0.006038040000000 ] - [ 0.086269530000000, 2.366316310000000, 0.006038040000000 ] - [ 0.055417170000000, 0.055417170000000, 2.612369480000000 ]- # 2 (Sr) - [ 2.366316310000000, -0.086269530000000, -0.006038040000000 ] - [ -0.086269530000000, 2.366316310000000, 0.006038040000000 ] - [ -0.055417170000000, 0.055417170000000, 2.612369480000000 ]- # 3 (Sr) - [ 2.366316310000000, -0.086269530000000, 0.006038040000000 ] - [ -0.086269530000000, 2.366316310000000, -0.006038040000000 ] - [ 0.055417170000000, -0.055417170000000, 2.612369480000000 ]- # 4 (Sr) - [ 2.366316310000000, 0.086269530000000, -0.006038040000000 ] - [ 0.086269530000000, 2.366316310000000, -0.006038040000000 ] - [ -0.055417170000000, -0.055417170000000, 2.612369480000000 ]- # 5 (Sr) - [ 2.366316310000000, 0.086269530000000, -0.006038040000000 ] - [ 0.086269530000000, 2.366316310000000, -0.006038040000000 ] - [ -0.055417170000000, -0.055417170000000, 2.612369480000000 ]- # 6 (Sr) - [ 2.366316310000000, -0.086269530000000, 0.006038040000000 ] - [ -0.086269530000000, 2.366316310000000, -0.006038040000000 ] - [ 0.055417170000000, -0.055417170000000, 2.612369480000000 ]- # 7 (Sr) - [ 2.366316310000000, -0.086269530000000, -0.006038040000000 ] - [ -0.086269530000000, 2.366316310000000, 0.006038040000000 ] - [ -0.055417170000000, 0.055417170000000, 2.612369480000000 ]- # 8 (Sr) - [ 2.366316310000000, 0.086269530000000, 0.006038040000000 ] - [ 0.086269530000000, 2.366316310000000, 0.006038040000000 ] - [ 0.055417170000000, 0.055417170000000, 2.612369480000000 ]- # 9 (Hf) - [ 5.626552150000000, -0.028699420000000, -0.040099070000000 ] - [ -0.028699420000000, 5.626552150000000, -0.040099070000000 ] - [ -0.318442260000000, -0.318442260000000, 4.883476590000000 ]- # 10 (Hf) - [ 5.626552150000000, 0.028699420000000, 0.040099070000000 ] - [ 0.028699420000000, 5.626552150000000, -0.040099070000000 ] - [ 0.318442260000000, -0.318442260000000, 4.883476590000000 ]- # 11 (Hf) - [ 5.626552150000000, -0.028699420000000, 0.040099070000000 ] - [ -0.028699420000000, 5.626552150000000, 0.040099070000000 ] - [ 0.318442260000000, 0.318442260000000, 4.883476590000000 ]- # 12 (Hf) - [ 5.626552150000000, 0.028699420000000, -0.040099070000000 ] - [ 0.028699420000000, 5.626552150000000, 0.040099070000000 ] - [ -0.318442260000000, 0.318442260000000, 4.883476590000000 ]- # 13 (O) - [ -1.995240810000000, -0.009180810000000, -0.066967520000000 ] - [ -0.009180810000000, -1.995240810000000, 0.066967520000000 ] - [ -0.037897380000000, 0.037897380000000, -3.434908420000000 ]- # 14 (O) - [ -1.995240810000000, 0.009180810000000, 0.066967520000000 ] - [ 0.009180810000000, -1.995240810000000, 0.066967520000000 ] - [ 0.037897380000000, 0.037897380000000, -3.434908420000000 ]- # 15 (O) - [ -3.165632630000000, -1.181090040000000, 0.000000000000000 ] - [ -1.181090040000000, -3.165632630000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.647634420000000 ]- # 16 (O) - [ -3.165632630000000, 1.181090040000000, 0.000000000000000 ] - [ 1.181090040000000, -3.165632630000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.647634420000000 ]- # 17 (O) - [ -3.203070510000000, 1.300854360000000, 0.000000000000000 ] - [ 1.300854360000000, -3.203070510000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.590764300000000 ]- # 18 (O) - [ -3.203070510000000, -1.300854360000000, 0.000000000000000 ] - [ -1.300854360000000, -3.203070510000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.590764300000000 ]- # 19 (O) - [ -1.995240810000000, 0.009180810000000, -0.066967520000000 ] - [ 0.009180810000000, -1.995240810000000, -0.066967520000000 ] - [ -0.037897380000000, -0.037897380000000, -3.434908420000000 ]- # 20 (O) - [ -1.995240810000000, -0.009180810000000, 0.066967520000000 ] - [ -0.009180810000000, -1.995240810000000, -0.066967520000000 ] - [ 0.037897380000000, -0.037897380000000, -3.434908420000000 ]- # 21 (O) - [ -1.995240810000000, 0.009180810000000, -0.066967520000000 ] - [ 0.009180810000000, -1.995240810000000, -0.066967520000000 ] - [ -0.037897380000000, -0.037897380000000, -3.434908420000000 ]- # 22 (O) - [ -1.995240810000000, -0.009180810000000, 0.066967520000000 ] - [ -0.009180810000000, -1.995240810000000, -0.066967520000000 ] - [ 0.037897380000000, -0.037897380000000, -3.434908420000000 ]- # 23 (O) - [ -3.203070510000000, -1.300854360000000, 0.000000000000000 ] - [ -1.300854360000000, -3.203070510000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.590764300000000 ]- # 24 (O) - [ -3.165632630000000, 1.181090040000000, 0.000000000000000 ] - [ 1.181090040000000, -3.165632630000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.647634420000000 ]- # 25 (O) - [ -3.203070510000000, 1.300854360000000, 0.000000000000000 ] - [ 1.300854360000000, -3.203070510000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.590764300000000 ]- # 26 (O) - [ -3.165632630000000, -1.181090040000000, 0.000000000000000 ] - [ -1.181090040000000, -3.165632630000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.647634420000000 ]- # 27 (O) - [ -1.995240810000000, 0.009180810000000, 0.066967520000000 ] - [ 0.009180810000000, -1.995240810000000, 0.066967520000000 ] - [ 0.037897380000000, 0.037897380000000, -3.434908420000000 ]- # 28 (O) - [ -1.995240810000000, -0.009180810000000, -0.066967520000000 ] - [ -0.009180810000000, -1.995240810000000, 0.066967520000000 ] - [ -0.037897380000000, 0.037897380000000, -3.434908420000000 ]dielectric_constant: - [ 4.124291620000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 4.124291620000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.082287190000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0595588100000000, -0.0037465900000000, -0.0011150200000000 ] - [ 0.0056559300000000, -0.0000635100000000, 0.0008344000000000 ] - [ -0.0010143400000000, -0.0000605400000000, 0.0008866400000000 ] - [ 0.0004270600000000, -0.0002743300000000, 0.0008480900000000 ] - [ 0.0005812000000000, -0.0003950700000000, 0.0003875800000000 ] - [ 0.0000480100000000, -0.0002778300000000, 0.0014249500000000 ] - [ 0.0003627600000000, -0.0002495500000000, 0.0008577300000000 ] - [ 0.0002106600000000, -0.0002970400000000, 0.0009347500000000 ] - [ -0.0009443300000000, 0.0002789100000000, 0.0008826800000000 ] - [ 0.0003146600000000, 0.0002964300000000, 0.0009191400000000 ] - [ -0.0008888800000000, 0.0003934900000000, 0.0008894200000000 ] - [ 0.0003070100000000, 0.0002505800000000, 0.0009346400000000 ] - [ 0.0032873600000000, -0.0054686800000000, 0.0007862900000000 ] - [ 0.0042646700000000, 0.0086738900000000, 0.0013056200000000 ] - [ 0.0028356700000000, 0.0046112500000000, 0.0010887500000000 ] - [ 0.0022998100000000, -0.0054191200000000, 0.0009522200000000 ] - [ 0.0000790500000000, -0.0015140300000000, -0.0019426100000000 ] - [ 0.0002130000000000, 0.0008803000000000, 0.0001075200000000 ] - [ 0.0002081300000000, 0.0008831700000000, -0.0020647700000000 ] - [ 0.0000846000000000, -0.0014529200000000, 0.0001121800000000 ] - [ -0.0023629000000000, -0.0008314600000000, -0.0007919600000000 ] - [ 0.0016340800000000, -0.0002574200000000, -0.0008646900000000 ] - [ -0.0023612700000000, 0.0006366200000000, -0.0004672700000000 ] - [ 0.0016332900000000, -0.0004401400000000, -0.0008626900000000 ] - [ 0.0047212800000000, 0.0008543000000000, 0.0077448400000000 ] - [ 0.0047050500000000, -0.0006573400000000, -0.0102510400000000 ] - [ -0.0003242600000000, 0.0002555600000000, -0.0006609800000000 ] - [ -0.0003190700000000, 0.0004421600000000, -0.0011924200000000 ] - [ -0.0041955100000000, 0.0001854600000000, -0.0016684300000000 ] - [ 0.0023159600000000, 0.0003581700000000, -0.0008607800000000 ] - [ -0.0002332700000000, 0.0003590300000000, -0.0008583900000000 ] - [ 0.0008024800000000, 0.0003266900000000, -0.0008475100000000 ] - [ -0.0028528800000000, -0.0005568700000000, 0.0023405100000000 ] - [ 0.0022334800000000, 0.0000095500000000, -0.0003488800000000 ] - [ -0.0011992100000000, 0.0001679800000000, -0.0000315000000000 ] - [ 0.0012765500000000, 0.0000116900000000, -0.0000059000000000 ] - [ 0.0174592600000000, 0.0008251000000000, -0.0179072100000000 ] - [ 0.0207386800000000, -0.0020653100000000, 0.0242599100000000 ] - [ 0.0003604400000000, 0.0001402300000000, -0.0004465000000000 ] - [ 0.0001280700000000, 0.0002686600000000, 0.0005206700000000 ] - [ 0.0003637500000000, -0.0005037100000000, 0.0011754700000000 ] - [ -0.0002015100000000, 0.0004938400000000, -0.0013511900000000 ] - [ 0.0004649700000000, 0.0006375900000000, 0.0015201500000000 ] - [ -0.0005495100000000, -0.0005244600000000, -0.0015498600000000 ] - [ -0.0128353100000000, -0.0014408000000000, 0.0002951900000000 ] - [ 0.0048171600000000, 0.0002625100000000, -0.0001500000000000 ] - [ -0.0132566300000000, 0.0014494300000000, -0.0011395100000000 ] - [ 0.0046298100000000, -0.0001838700000000, -0.0000144200000000 ] - [ -0.0126973800000000, 0.0010391100000000, 0.0017442200000000 ] - [ 0.0052464500000000, 0.0004286900000000, -0.0031579700000000 ] - [ -0.0005625100000000, 0.0000108500000000, 0.0003004200000000 ] - [ -0.0001904500000000, 0.0006690900000000, -0.0000191400000000 ] - [ 0.0013144800000000, 0.0005524600000000, -0.0002513700000000 ] - [ -0.0003713400000000, 0.0003863700000000, 0.0001534100000000 ] - [ 0.0007162300000000, 0.0003598500000000, 0.0001446800000000 ] - [ 0.0000500900000000, 0.0003859700000000, 0.0001026900000000 ] - [ 0.0015346700000000, 0.0002733200000000, 0.0023451300000000 ] - [ -0.0010851500000000, -0.0000058400000000, 0.0013036200000000 ] - [ 0.0007021500000000, 0.0002639100000000, 0.0017844500000000 ] - [ -0.0007282400000000, -0.0004285600000000, 0.0015438300000000 ] - [ 0.0040714800000000, -0.0050027400000000, -0.0030766900000000 ] - [ -0.0038021100000000, 0.0023993700000000, 0.0030605000000000 ] - [ 0.0014385900000000, -0.0000135700000000, 0.0017556300000000 ] - [ -0.0009487700000000, 0.0000356400000000, 0.0017486500000000 ] - [ 0.0005237200000000, 0.0003189100000000, -0.0005981800000000 ] - [ -0.0008986200000000, -0.0001053500000000, 0.0004793100000000 ] - [ 0.0005273100000000, -0.0004648000000000, -0.0002285900000000 ] - [ -0.0005235600000000, 0.0003909000000000, 0.0002496400000000 ] - [ 0.0045543700000000, 0.0047334500000000, 0.0034773000000000 ] - [ -0.0045118400000000, -0.0027711400000000, -0.0015304500000000 ] - [ 0.0011465600000000, -0.0006256100000000, 0.0000460100000000 ] - [ -0.0008809900000000, 0.0000142000000000, -0.0000866800000000 ] - [ -0.0006343000000000, -0.0002269000000000, 0.0002520400000000 ] - [ -0.0001821700000000, -0.0005636800000000, 0.0000002500000000 ] - [ -0.0006438800000000, -0.0006672700000000, 0.0001826100000000 ] - [ -0.0001221400000000, -0.0001791200000000, 0.0000173000000000 ] - [ 0.0087224300000000, -0.0005449900000000, -0.0008058800000000 ] - [ -0.0017449500000000, -0.0001090200000000, 0.0003340300000000 ] - [ 0.0046658500000000, -0.0001017400000000, -0.0001029500000000 ] - [ -0.0011056800000000, -0.0005122400000000, 0.0002434900000000 ] - [ 0.0002856800000000, 0.0015942900000000, -0.0017026700000000 ] - [ -0.0000732000000000, -0.0007791400000000, 0.0017191400000000 ] - [ -0.0000320300000000, -0.0011430200000000, -0.0021632300000000 ] - [ -0.0003296000000000, 0.0020458600000000, 0.0018028000000000 ] - [ 0.0013909900000000, 0.0005984400000000, -0.0001402700000000 ] - [ -0.0014280300000000, 0.0002764000000000, -0.0001722500000000 ] - [ 0.0016430500000000, 0.0001860900000000, 0.0001776100000000 ] - [ -0.0015192400000000, 0.0005357600000000, -0.0001733800000000 ] - [ 0.0013334400000000, -0.0001970000000000, -0.0002824800000000 ] - [ -0.0010282700000000, -0.0000387700000000, 0.0002224500000000 ] - [ 0.0065551000000000, 0.0055111800000000, -0.0032529100000000 ] - [ -0.0039471900000000, -0.0025583900000000, 0.0011681500000000 ] - [ 0.0014741100000000, 0.0003197800000000, -0.0017375600000000 ] - [ -0.0011062200000000, -0.0002532800000000, -0.0020376700000000 ] - [ 0.0068856700000000, -0.0032140600000000, -0.0003226100000000 ] - [ -0.0044925200000000, 0.0029088600000000, -0.0029825900000000 ] - [ 0.0006244900000000, -0.0004265700000000, 0.0001316400000000 ] - [ -0.0006437400000000, 0.0003943600000000, -0.0001357400000000 ] - [ 0.0015962300000000, -0.0002874900000000, 0.0000440000000000 ] - [ -0.0010930800000000, 0.0001616100000000, -0.0002703700000000 ] - [ 0.0005097600000000, 0.0003209000000000, -0.0018454400000000 ] - [ -0.0005418100000000, -0.0003797700000000, -0.0015097400000000 ] - [ 0.0005258500000000, -0.0000752600000000, -0.0022048900000000 ] - [ -0.0007711700000000, 0.0000553800000000, -0.0013224000000000 ] - [ 0.0079490300000000, -0.0001252100000000, 0.0022347800000000 ] - [ -0.0028480500000000, -0.0002799800000000, 0.0000534300000000 ] - [ 0.0000530900000000, -0.0004655200000000, -0.0000401000000000 ] - [ -0.0008788300000000, -0.0004215500000000, -0.0001041600000000 ] - [ 0.0001024500000000, -0.0007904500000000, 0.0034545800000000 ] - [ -0.0009525700000000, 0.0001888000000000, -0.0043106400000000 ] - [ 0.0004902000000000, -0.0002772200000000, -0.0000137700000000 ] - [ 0.0003198300000000, -0.0005965800000000, -0.0003108300000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0600566400000000, 0.0030852900000000, 0.0034242400000000 ] - [ -0.0062447000000000, -0.0005349100000000, 0.0009139800000000 ] - [ 0.0004180800000000, -0.0005319600000000, 0.0008669300000000 ] - [ -0.0010261700000000, -0.0003239000000000, 0.0009036200000000 ] - [ 0.0000096500000000, -0.0002030600000000, 0.0013596900000000 ] - [ 0.0005582100000000, -0.0003214200000000, 0.0003204000000000 ] - [ 0.0002326600000000, -0.0003482500000000, 0.0008924400000000 ] - [ 0.0003900400000000, -0.0003007700000000, 0.0008151900000000 ] - [ 0.0003479900000000, 0.0003224600000000, 0.0008653900000000 ] - [ -0.0009144600000000, 0.0003000500000000, 0.0008306000000000 ] - [ 0.0002926000000000, 0.0002015300000000, 0.0008573000000000 ] - [ -0.0009069500000000, 0.0003493200000000, 0.0008146900000000 ] - [ -0.0026819800000000, 0.0060184400000000, 0.0009595400000000 ] - [ -0.0036871100000000, -0.0081626800000000, 0.0004404300000000 ] - [ -0.0022350600000000, -0.0039835100000000, 0.0006592700000000 ] - [ -0.0017011300000000, 0.0060680300000000, 0.0007964600000000 ] - [ -0.0006838100000000, 0.0009158500000000, 0.0001925000000000 ] - [ -0.0008069300000000, -0.0014834100000000, -0.0018627200000000 ] - [ -0.0008118800000000, -0.0014806000000000, 0.0003156900000000 ] - [ -0.0006783200000000, 0.0008604300000000, -0.0018661300000000 ] - [ 0.0029574100000000, 0.0002726000000000, -0.0009934100000000 ] - [ -0.0010374700000000, -0.0003443300000000, -0.0008813600000000 ] - [ 0.0029591100000000, -0.0012816500000000, -0.0013108800000000 ] - [ -0.0010381900000000, -0.0001538900000000, -0.0008836600000000 ] - [ -0.0053164200000000, -0.0002501600000000, -0.0094136500000000 ] - [ -0.0053326000000000, 0.0012614200000000, 0.0085936400000000 ] - [ -0.0002791900000000, 0.0003424200000000, -0.0010883600000000 ] - [ -0.0002740000000000, 0.0001559000000000, -0.0005567200000000 ] - [ 0.0047959800000000, 0.0004095700000000, -0.0000571300000000 ] - [ -0.0017215500000000, 0.0002397300000000, -0.0008954800000000 ] - [ 0.0008318900000000, 0.0002405600000000, -0.0008915900000000 ] - [ -0.0002050500000000, 0.0002712400000000, -0.0009056300000000 ] - [ 0.0028705500000000, 0.0005688300000000, -0.0024488600000000 ] - [ -0.0022391600000000, -0.0000101600000000, 0.0003581400000000 ] - [ 0.0012020100000000, -0.0001672800000000, 0.0000243900000000 ] - [ -0.0012792500000000, -0.0000110800000000, 0.0000080700000000 ] - [ -0.0173087000000000, -0.0008159800000000, 0.0176788900000000 ] - [ -0.0209780400000000, 0.0020825300000000, -0.0245852300000000 ] - [ -0.0003773900000000, -0.0001385800000000, 0.0004450200000000 ] - [ -0.0001110000000000, -0.0002656000000000, -0.0005237800000000 ] - [ -0.0003819600000000, 0.0005098600000000, -0.0011700500000000 ] - [ 0.0002196600000000, -0.0004915000000000, 0.0013584400000000 ] - [ -0.0004829400000000, -0.0006424300000000, -0.0015125500000000 ] - [ 0.0005692800000000, 0.0005229400000000, 0.0015609200000000 ] - [ 0.0128441100000000, 0.0015117100000000, -0.0001873600000000 ] - [ -0.0048231100000000, -0.0002783700000000, 0.0001425700000000 ] - [ 0.0132680300000000, -0.0014901600000000, 0.0011985300000000 ] - [ -0.0046368800000000, 0.0002015400000000, 0.0000085000000000 ] - [ 0.0118547400000000, -0.0002379300000000, -0.0014816900000000 ] - [ -0.0070908700000000, 0.0002851200000000, 0.0034955500000000 ] - [ -0.0002227300000000, 0.0007767400000000, -0.0000348400000000 ] - [ -0.0006067600000000, 0.0001163700000000, 0.0002845400000000 ] - [ -0.0005307700000000, 0.0002341900000000, 0.0005406100000000 ] - [ 0.0011642000000000, 0.0004044000000000, 0.0001129400000000 ] - [ 0.0000724400000000, 0.0004298000000000, 0.0001222900000000 ] - [ 0.0007411700000000, 0.0004035900000000, 0.0001632800000000 ] - [ -0.0015614300000000, -0.0002851000000000, 0.0010628200000000 ] - [ 0.0010905900000000, 0.0000102900000000, 0.0020956400000000 ] - [ -0.0007101200000000, -0.0002641000000000, 0.0016200400000000 ] - [ 0.0007318800000000, 0.0004290300000000, 0.0018573700000000 ] - [ -0.0041511100000000, 0.0050182400000000, 0.0064748900000000 ] - [ 0.0038028500000000, -0.0023915800000000, 0.0003524900000000 ] - [ -0.0014458500000000, 0.0000145600000000, 0.0016444200000000 ] - [ 0.0009560800000000, -0.0000414700000000, 0.0016555800000000 ] - [ -0.0005042500000000, -0.0003328700000000, 0.0006092300000000 ] - [ 0.0008968700000000, 0.0001106700000000, -0.0004843000000000 ] - [ -0.0005225500000000, 0.0004655000000000, 0.0002304000000000 ] - [ 0.0005219500000000, -0.0003917400000000, -0.0002518200000000 ] - [ -0.0044150000000000, -0.0047896900000000, -0.0035807600000000 ] - [ 0.0045284300000000, 0.0027835100000000, 0.0015372400000000 ] - [ -0.0011412700000000, 0.0006294700000000, -0.0000471300000000 ] - [ 0.0008769100000000, -0.0000207100000000, 0.0000884300000000 ] - [ -0.0001507300000000, -0.0005632200000000, 0.0000134600000000 ] - [ -0.0006123900000000, -0.0002261400000000, 0.0002665300000000 ] - [ -0.0001417600000000, -0.0001219100000000, 0.0000828600000000 ] - [ -0.0006718100000000, -0.0006109400000000, 0.0002491400000000 ] - [ -0.0079546400000000, -0.0002673600000000, 0.0010293500000000 ] - [ 0.0025328400000000, -0.0006744100000000, -0.0000686000000000 ] - [ -0.0038849200000000, -0.0006553800000000, 0.0003475600000000 ] - [ 0.0018966000000000, -0.0002823900000000, 0.0000206100000000 ] - [ 0.0005130900000000, -0.0007997900000000, 0.0014274700000000 ] - [ 0.0008588100000000, 0.0015774000000000, -0.0019978400000000 ] - [ 0.0008311800000000, 0.0019258300000000, 0.0018852600000000 ] - [ 0.0011175400000000, -0.0012700000000000, -0.0020847900000000 ] - [ -0.0021828200000000, 0.0001914100000000, -0.0001349800000000 ] - [ 0.0006382000000000, 0.0005167700000000, -0.0000876700000000 ] - [ -0.0024360100000000, 0.0006014000000000, -0.0004445100000000 ] - [ 0.0007299900000000, 0.0002500100000000, -0.0000864000000000 ] - [ -0.0013504600000000, 0.0001886300000000, 0.0002757300000000 ] - [ 0.0010349600000000, 0.0000451700000000, -0.0002195400000000 ] - [ -0.0066680300000000, -0.0054905800000000, 0.0032016000000000 ] - [ 0.0039474300000000, 0.0025494100000000, -0.0011583400000000 ] - [ -0.0014603600000000, -0.0003267700000000, -0.0016684600000000 ] - [ 0.0011034700000000, 0.0002609900000000, -0.0013613700000000 ] - [ -0.0067031200000000, 0.0033548900000000, -0.0032461300000000 ] - [ 0.0045101800000000, -0.0029242300000000, -0.0004104600000000 ] - [ -0.0006310400000000, 0.0004270000000000, -0.0001305400000000 ] - [ 0.0006479000000000, -0.0003959800000000, 0.0001347900000000 ] - [ -0.0016220600000000, 0.0003004000000000, -0.0000352800000000 ] - [ 0.0010985300000000, -0.0001655300000000, 0.0002673800000000 ] - [ -0.0005058400000000, -0.0003219900000000, -0.0015562300000000 ] - [ 0.0005396500000000, 0.0003796000000000, -0.0018941000000000 ] - [ -0.0005072100000000, 0.0000890000000000, -0.0011847300000000 ] - [ 0.0007692300000000, -0.0000591500000000, -0.0020845900000000 ] - [ -0.0087605300000000, -0.0006580500000000, -0.0024439800000000 ] - [ 0.0020625600000000, -0.0005101400000000, -0.0003275200000000 ] - [ -0.0008412400000000, -0.0003288400000000, -0.0002194200000000 ] - [ 0.0000894500000000, -0.0003677800000000, -0.0001636200000000 ] - [ 0.0006953800000000, -0.0000004300000000, -0.0037062900000000 ] - [ 0.0017412000000000, -0.0009828500000000, 0.0040796900000000 ] - [ 0.0003026100000000, -0.0005136600000000, -0.0002505800000000 ] - [ 0.0004662100000000, -0.0001933000000000, 0.0000463300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0028010600000000, -0.0028010600000000, -0.0900580400000000 ] - [ -0.0003335300000000, -0.0002902200000000, -0.0008101000000000 ] - [ -0.0002902200000000, -0.0003335300000000, -0.0008101000000000 ] - [ -0.0003262800000000, -0.0003262800000000, -0.0000023900000000 ] - [ 0.0007884000000000, -0.0002831000000000, 0.0033297100000000 ] - [ -0.0002579500000000, -0.0002901600000000, 0.0032909300000000 ] - [ 0.0003168200000000, -0.0002386800000000, 0.0019772000000000 ] - [ 0.0002386200000000, -0.0002545600000000, 0.0019520700000000 ] - [ -0.0002901600000000, -0.0002579500000000, 0.0032909300000000 ] - [ -0.0002545600000000, 0.0002386200000000, 0.0019520700000000 ] - [ -0.0002831000000000, 0.0007884000000000, 0.0033297100000000 ] - [ -0.0002386800000000, 0.0003168200000000, 0.0019772000000000 ] - [ 0.0003740700000000, 0.0002288900000000, -0.0025641400000000 ] - [ -0.0001145200000000, -0.0001145200000000, -0.0027098700000000 ] - [ 0.0000800200000000, 0.0000800200000000, -0.0023777200000000 ] - [ 0.0002288900000000, 0.0003740700000000, -0.0025641400000000 ] - [ -0.0012886100000000, 0.0007684200000000, 0.0011301200000000 ] - [ 0.0008908500000000, 0.0008908500000000, 0.0009893700000000 ] - [ -0.0012835400000000, -0.0012835400000000, 0.0009905600000000 ] - [ 0.0007684200000000, -0.0012886100000000, 0.0011301200000000 ] - [ 0.0007218800000000, -0.0089202600000000, 0.0021204200000000 ] - [ 0.0003108700000000, -0.0005126500000000, -0.0016013000000000 ] - [ 0.0004009300000000, 0.0091617400000000, 0.0021323700000000 ] - [ 0.0003083900000000, 0.0000189600000000, -0.0016000500000000 ] - [ 0.0091617400000000, 0.0004009300000000, 0.0021323700000000 ] - [ -0.0089202600000000, 0.0007218800000000, 0.0021204200000000 ] - [ 0.0000189600000000, 0.0003083900000000, -0.0016000500000000 ] - [ -0.0005126500000000, 0.0003108700000000, -0.0016013000000000 ] - [ -0.0005026600000000, -0.0005026600000000, 0.0134842000000000 ] - [ 0.0003177800000000, 0.0003156100000000, 0.0001372800000000 ] - [ 0.0003156100000000, 0.0003177800000000, 0.0001372800000000 ] - [ 0.0003285900000000, 0.0003285900000000, -0.0001897700000000 ] - [ -0.0021097400000000, -0.0021097400000000, 0.0223517700000000 ] - [ 0.0002693200000000, -0.0001064700000000, 0.0012797900000000 ] - [ -0.0001064700000000, 0.0002693200000000, 0.0012797900000000 ] - [ 0.0001081100000000, 0.0001081100000000, 0.0003250800000000 ] - [ -0.0174133600000000, -0.0004930500000000, 0.0009647200000000 ] - [ 0.0212802200000000, 0.0003051300000000, -0.0004523000000000 ] - [ -0.0013229700000000, -0.0001286400000000, -0.0004756000000000 ] - [ 0.0012824600000000, -0.0001628000000000, -0.0007502000000000 ] - [ 0.0021871800000000, -0.0022003100000000, 0.0017920800000000 ] - [ -0.0022575600000000, -0.0022575600000000, 0.0016459300000000 ] - [ 0.0021217200000000, 0.0021217200000000, 0.0021297800000000 ] - [ -0.0022003100000000, 0.0021871800000000, 0.0017920800000000 ] - [ 0.0003051300000000, 0.0212802200000000, -0.0004523000000000 ] - [ -0.0001628000000000, 0.0012824600000000, -0.0007502000000000 ] - [ -0.0004930500000000, -0.0174133600000000, 0.0009647200000000 ] - [ -0.0001286400000000, -0.0013229700000000, -0.0004756000000000 ] - [ -0.0012256000000000, 0.0002681400000000, 0.0074730700000000 ] - [ 0.0004372000000000, 0.0001411500000000, 0.0117494300000000 ] - [ -0.0003096600000000, 0.0005014700000000, 0.0014917900000000 ] - [ -0.0004609000000000, 0.0004720400000000, 0.0014518000000000 ] - [ 0.0006907000000000, 0.0006907000000000, -0.0070518900000000 ] - [ 0.0003196400000000, 0.0003783000000000, -0.0014156800000000 ] - [ 0.0003783000000000, 0.0003196400000000, -0.0014156800000000 ] - [ 0.0003533400000000, 0.0003533400000000, -0.0008185400000000 ] - [ 0.0030172700000000, 0.0030172700000000, -0.0015864400000000 ] - [ -0.0008018400000000, 0.0003994000000000, 0.0009704300000000 ] - [ 0.0003994000000000, -0.0008018400000000, 0.0009704300000000 ] - [ -0.0006252800000000, -0.0006252800000000, 0.0013781500000000 ] - [ -0.0056634200000000, -0.0056634200000000, -0.0011912800000000 ] - [ 0.0022438300000000, -0.0010691700000000, 0.0019889600000000 ] - [ -0.0010691700000000, 0.0022438300000000, 0.0019889600000000 ] - [ 0.0002481900000000, 0.0002481900000000, 0.0018325200000000 ] - [ -0.0026693300000000, 0.0029841100000000, -0.0031059400000000 ] - [ 0.0005414400000000, 0.0001934600000000, -0.0004917400000000 ] - [ -0.0001361400000000, -0.0007353800000000, -0.0007587600000000 ] - [ 0.0005353100000000, -0.0005595600000000, -0.0003304600000000 ] - [ 0.0041556300000000, -0.0041932800000000, 0.0004035700000000 ] - [ -0.0019424100000000, -0.0009786000000000, 0.0009582200000000 ] - [ 0.0011126500000000, 0.0022153200000000, 0.0004560800000000 ] - [ -0.0001943000000000, 0.0002362900000000, 0.0002274500000000 ] - [ -0.0007072400000000, -0.0000998700000000, -0.0020292100000000 ] - [ -0.0000499700000000, -0.0000499700000000, -0.0020718700000000 ] - [ -0.0006506500000000, -0.0006506500000000, -0.0020694300000000 ] - [ -0.0000998700000000, -0.0007072400000000, -0.0020292100000000 ] - [ 0.0001411500000000, 0.0004372000000000, 0.0117494300000000 ] - [ 0.0004720400000000, -0.0004609000000000, 0.0014518000000000 ] - [ 0.0002681400000000, -0.0012256000000000, 0.0074730700000000 ] - [ 0.0005014700000000, -0.0003096600000000, 0.0014917900000000 ] - [ -0.0009858100000000, 0.0016020900000000, 0.0003475600000000 ] - [ 0.0010886900000000, 0.0010886900000000, 0.0005843400000000 ] - [ -0.0016046300000000, -0.0016046300000000, -0.0000098900000000 ] - [ 0.0016020900000000, -0.0009858100000000, 0.0003475600000000 ] - [ -0.0003363200000000, -0.0009693600000000, -0.0022014200000000 ] - [ -0.0006517900000000, 0.0002379200000000, -0.0009024600000000 ] - [ -0.0001245800000000, 0.0021483900000000, -0.0027242900000000 ] - [ -0.0006152300000000, 0.0006851600000000, -0.0009168200000000 ] - [ -0.0009786000000000, -0.0019424100000000, 0.0009582200000000 ] - [ 0.0002362900000000, -0.0001943000000000, 0.0002274500000000 ] - [ -0.0041932800000000, 0.0041556300000000, 0.0004035700000000 ] - [ 0.0022153200000000, 0.0011126500000000, 0.0004560800000000 ] - [ 0.0007982300000000, -0.0019263300000000, -0.0006844900000000 ] - [ -0.0001383100000000, -0.0001383100000000, -0.0013431100000000 ] - [ 0.0014916400000000, 0.0014916400000000, 0.0024161600000000 ] - [ -0.0019263300000000, 0.0007982300000000, -0.0006844900000000 ] - [ 0.0001934600000000, 0.0005414400000000, -0.0004917400000000 ] - [ -0.0005595600000000, 0.0005353100000000, -0.0003304600000000 ] - [ 0.0029841100000000, -0.0026693300000000, -0.0031059400000000 ] - [ -0.0007353800000000, -0.0001361400000000, -0.0007587600000000 ] - [ -0.0000524900000000, 0.0005071300000000, -0.0022247800000000 ] - [ 0.0004755300000000, 0.0004755300000000, -0.0020511600000000 ] - [ -0.0023311000000000, -0.0023311000000000, -0.0046939200000000 ] - [ 0.0005071300000000, -0.0000524900000000, -0.0022247800000000 ] - [ 0.0036452500000000, 0.0036452500000000, 0.0254991100000000 ] - [ 0.0001527600000000, -0.0003748900000000, 0.0004563000000000 ] - [ -0.0003748900000000, 0.0001527600000000, 0.0004563000000000 ] - [ -0.0003265500000000, -0.0003265500000000, 0.0005152100000000 ] - [ 0.0021483900000000, -0.0001245800000000, -0.0027242900000000 ] - [ -0.0009693600000000, -0.0003363200000000, -0.0022014200000000 ] - [ 0.0006851600000000, -0.0006152300000000, -0.0009168200000000 ] - [ 0.0002379200000000, -0.0006517900000000, -0.0009024600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0017473000000000, 0.0017473000000000, 0.0903499300000000 ] - [ -0.0002531500000000, -0.0003090900000000, 0.0025546900000000 ] - [ -0.0003090900000000, -0.0002531500000000, 0.0025546900000000 ] - [ -0.0002697400000000, -0.0002697400000000, 0.0017478900000000 ] - [ -0.0001845700000000, -0.0003143000000000, -0.0015716800000000 ] - [ 0.0008457400000000, -0.0003064600000000, -0.0015306600000000 ] - [ 0.0002812700000000, -0.0003578500000000, -0.0002217200000000 ] - [ 0.0003573200000000, -0.0003422900000000, -0.0001965600000000 ] - [ -0.0003064600000000, 0.0008457400000000, -0.0015306600000000 ] - [ -0.0003422900000000, 0.0003573200000000, -0.0001965600000000 ] - [ -0.0003143000000000, -0.0001845700000000, -0.0015716800000000 ] - [ -0.0003578500000000, 0.0002812700000000, -0.0002217200000000 ] - [ 0.0001999100000000, 0.0003837000000000, 0.0043067900000000 ] - [ 0.0007495400000000, 0.0007495400000000, 0.0044579700000000 ] - [ 0.0005084500000000, 0.0005084500000000, 0.0041153300000000 ] - [ 0.0003837000000000, 0.0001999100000000, 0.0043067900000000 ] - [ 0.0006906400000000, -0.0013657200000000, -0.0028705600000000 ] - [ -0.0014886900000000, -0.0014886900000000, -0.0027315900000000 ] - [ 0.0006876400000000, 0.0006876400000000, -0.0027304200000000 ] - [ -0.0013657200000000, 0.0006906400000000, -0.0028705600000000 ] - [ -0.0001231600000000, 0.0082393100000000, -0.0038841800000000 ] - [ 0.0002889200000000, -0.0000843700000000, -0.0001573200000000 ] - [ 0.0001981300000000, -0.0096820300000000, -0.0038724300000000 ] - [ 0.0002907900000000, -0.0006158000000000, -0.0001560000000000 ] - [ -0.0096820300000000, 0.0001981300000000, -0.0038724300000000 ] - [ 0.0082393100000000, -0.0001231600000000, -0.0038841800000000 ] - [ -0.0006158000000000, 0.0002907900000000, -0.0001560000000000 ] - [ -0.0000843700000000, 0.0002889200000000, -0.0001573200000000 ] - [ 0.0011077200000000, 0.0011077200000000, -0.0153872800000000 ] - [ 0.0002821200000000, 0.0002814500000000, -0.0018791300000000 ] - [ 0.0002814500000000, 0.0002821200000000, -0.0018791300000000 ] - [ 0.0002695500000000, 0.0002695500000000, -0.0015551500000000 ] - [ 0.0021013400000000, 0.0021013400000000, -0.0221996500000000 ] - [ -0.0002648100000000, 0.0001060700000000, -0.0012807300000000 ] - [ 0.0001060700000000, -0.0002648100000000, -0.0012807300000000 ] - [ -0.0001067500000000, -0.0001067500000000, -0.0003255600000000 ] - [ 0.0174770700000000, 0.0004864200000000, -0.0009311000000000 ] - [ -0.0213732600000000, -0.0003089100000000, 0.0005433800000000 ] - [ 0.0013165200000000, 0.0001340200000000, 0.0004781000000000 ] - [ -0.0012768000000000, 0.0001687200000000, 0.0007568200000000 ] - [ -0.0021711900000000, 0.0021815200000000, -0.0017887000000000 ] - [ 0.0022350300000000, 0.0022350300000000, -0.0016496000000000 ] - [ -0.0021091100000000, -0.0021091100000000, -0.0021182300000000 ] - [ 0.0021815200000000, -0.0021711900000000, -0.0017887000000000 ] - [ -0.0003089100000000, -0.0213732600000000, 0.0005433800000000 ] - [ 0.0001687200000000, -0.0012768000000000, 0.0007568200000000 ] - [ 0.0004864200000000, 0.0174770700000000, -0.0009311000000000 ] - [ 0.0001340200000000, 0.0013165200000000, 0.0004781000000000 ] - [ 0.0004669800000000, 0.0005249000000000, -0.0071937400000000 ] - [ -0.0012830000000000, 0.0006541300000000, -0.0114793300000000 ] - [ -0.0004791900000000, 0.0002868000000000, -0.0012194500000000 ] - [ -0.0003324700000000, 0.0003163800000000, -0.0011819400000000 ] - [ 0.0001076300000000, 0.0001076300000000, 0.0073310600000000 ] - [ 0.0004682100000000, 0.0004117300000000, 0.0016763200000000 ] - [ 0.0004117300000000, 0.0004682100000000, 0.0016763200000000 ] - [ 0.0004357900000000, 0.0004357900000000, 0.0010796600000000 ] - [ -0.0029908800000000, -0.0029908800000000, 0.0049594400000000 ] - [ 0.0007949100000000, -0.0003957500000000, 0.0024290100000000 ] - [ -0.0003957500000000, 0.0007949100000000, 0.0024290100000000 ] - [ 0.0006206200000000, 0.0006206200000000, 0.0020230900000000 ] - [ 0.0056391700000000, 0.0056391700000000, 0.0044735800000000 ] - [ -0.0022439300000000, 0.0010695700000000, 0.0014097300000000 ] - [ 0.0010695700000000, -0.0022439300000000, 0.0014097300000000 ] - [ -0.0002480800000000, -0.0002480800000000, 0.0015686800000000 ] - [ 0.0026493100000000, -0.0029626400000000, 0.0030846600000000 ] - [ -0.0005373500000000, -0.0001921200000000, 0.0004924000000000 ] - [ 0.0001352100000000, 0.0007291400000000, 0.0007552400000000 ] - [ -0.0005316100000000, 0.0005553900000000, 0.0003301100000000 ] - [ -0.0040438900000000, 0.0041197200000000, -0.0005847100000000 ] - [ 0.0019379100000000, 0.0009728600000000, -0.0009714400000000 ] - [ -0.0011109000000000, -0.0022132000000000, -0.0004597800000000 ] - [ 0.0001919600000000, -0.0002366300000000, -0.0002287400000000 ] - [ -0.0000858700000000, -0.0006859700000000, 0.0022853100000000 ] - [ -0.0007348900000000, -0.0007348900000000, 0.0023286900000000 ] - [ -0.0001414100000000, -0.0001414100000000, 0.0023258600000000 ] - [ -0.0006859700000000, -0.0000858700000000, 0.0022853100000000 ] - [ 0.0006541300000000, -0.0012830000000000, -0.0114793300000000 ] - [ 0.0003163800000000, -0.0003324700000000, -0.0011819400000000 ] - [ 0.0005249000000000, 0.0004669800000000, -0.0071937400000000 ] - [ 0.0002868000000000, -0.0004791900000000, -0.0012194500000000 ] - [ 0.0017701400000000, -0.0008044900000000, -0.0006032700000000 ] - [ -0.0002971100000000, -0.0002971100000000, -0.0008313400000000 ] - [ 0.0023795800000000, 0.0023795800000000, -0.0002536900000000 ] - [ -0.0008044900000000, 0.0017701400000000, -0.0006032700000000 ] - [ -0.0004532100000000, 0.0017620700000000, 0.0019135700000000 ] - [ -0.0001391200000000, 0.0005508800000000, 0.0006282800000000 ] - [ -0.0006643300000000, -0.0013706600000000, 0.0024450500000000 ] - [ -0.0001763500000000, 0.0001053600000000, 0.0006437400000000 ] - [ 0.0009728600000000, 0.0019379100000000, -0.0009714400000000 ] - [ -0.0002366300000000, 0.0001919600000000, -0.0002287400000000 ] - [ 0.0041197200000000, -0.0040438900000000, -0.0005847100000000 ] - [ -0.0022132000000000, -0.0011109000000000, -0.0004597800000000 ] - [ -0.0007886400000000, 0.0019195200000000, -0.0027287900000000 ] - [ 0.0001351300000000, 0.0001351300000000, -0.0020629800000000 ] - [ -0.0013518500000000, -0.0013518500000000, -0.0059769800000000 ] - [ 0.0019195200000000, -0.0007886400000000, -0.0027287900000000 ] - [ -0.0001921200000000, -0.0005373500000000, 0.0004924000000000 ] - [ 0.0005553900000000, -0.0005316100000000, 0.0003301100000000 ] - [ -0.0029626400000000, 0.0026493100000000, 0.0030846600000000 ] - [ 0.0007291400000000, 0.0001352100000000, 0.0007552400000000 ] - [ 0.0000526300000000, -0.0005035600000000, -0.0011776300000000 ] - [ -0.0004720600000000, -0.0004720600000000, -0.0013511200000000 ] - [ 0.0023203300000000, 0.0023203300000000, 0.0012835800000000 ] - [ -0.0005035600000000, 0.0000526300000000, -0.0011776300000000 ] - [ -0.0041026300000000, -0.0041026300000000, -0.0238031600000000 ] - [ -0.0009413300000000, -0.0004132600000000, -0.0007098400000000 ] - [ -0.0004132600000000, -0.0009413300000000, -0.0007098400000000 ] - [ -0.0004637500000000, -0.0004637500000000, -0.0007755600000000 ] - [ -0.0013706600000000, -0.0006643300000000, 0.0024450500000000 ] - [ 0.0017620700000000, -0.0004532100000000, 0.0019135700000000 ] - [ 0.0001053600000000, -0.0001763500000000, 0.0006437400000000 ] - [ 0.0005508800000000, -0.0001391200000000, 0.0006282800000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0031608000000000, -0.0008606500000000, -0.0012009300000000 ] - [ 0.0019385900000000, -0.0001312600000000, 0.0011388500000000 ] - [ -0.0014994900000000, -0.0002890600000000, 0.0007700200000000 ] - [ 0.0009796100000000, -0.0002872100000000, 0.0009821300000000 ] - [ 0.0177697300000000, -0.0017759200000000, 0.0184195400000000 ] - [ 0.0210467200000000, 0.0011689000000000, -0.0203195000000000 ] - [ 0.0006655600000000, -0.0001057900000000, 0.0021945300000000 ] - [ 0.0004208600000000, -0.0005685900000000, -0.0004051300000000 ] - [ -0.0131347700000000, 0.0024183800000000, 0.0011646500000000 ] - [ 0.0045216600000000, 0.0000274100000000, 0.0007110400000000 ] - [ -0.0135565800000000, -0.0005551200000000, 0.0003754200000000 ] - [ 0.0043343700000000, 0.0001631100000000, 0.0007457700000000 ] - [ 0.0006684200000000, -0.0002265100000000, -0.0013051200000000 ] - [ 0.0000915900000000, 0.0007909900000000, 0.0031206600000000 ] - [ 0.0007700500000000, 0.0009394400000000, -0.0012416400000000 ] - [ -0.0002568000000000, -0.0002081600000000, 0.0030649400000000 ] - [ -0.0008618900000000, -0.0008050900000000, 0.0013168100000000 ] - [ 0.0001776300000000, 0.0003399300000000, -0.0029889800000000 ] - [ -0.0005125100000000, 0.0001939400000000, 0.0013716200000000 ] - [ 0.0000771500000000, -0.0008205200000000, -0.0030529700000000 ] - [ -0.0129671300000000, -0.0010858500000000, -0.0013550200000000 ] - [ 0.0049324100000000, -0.0004419600000000, -0.0010084300000000 ] - [ -0.0125435700000000, 0.0017289200000000, -0.0005507700000000 ] - [ 0.0051186900000000, -0.0005616200000000, -0.0010426700000000 ] - [ 0.0206676300000000, 0.0017835900000000, -0.0223344200000000 ] - [ 0.0169964400000000, -0.0011634800000000, 0.0164709200000000 ] - [ -0.0001814500000000, 0.0000277800000000, -0.0021541200000000 ] - [ 0.0000730600000000, 0.0004913400000000, 0.0004450200000000 ] - [ -0.0025627200000000, -0.0002650400000000, -0.0030092900000000 ] - [ 0.0025334700000000, 0.0004665600000000, -0.0006049400000000 ] - [ -0.0009025200000000, 0.0003088300000000, -0.0009825500000000 ] - [ 0.0015769800000000, 0.0003099300000000, -0.0007672300000000 ] - [ -0.2602078800000000, 0.0205439000000000, 0.0083319900000000 ] - [ 0.0190735100000000, 0.0002380700000000, -0.0004615600000000 ] - [ -0.0156537500000000, 0.0002381100000000, -0.0007667700000000 ] - [ 0.0108113400000000, -0.0002785000000000, 0.0000998800000000 ] - [ -0.0000031600000000, 0.0000315200000000, -0.0005926400000000 ] - [ 0.0000120900000000, 0.0000302600000000, -0.0005805000000000 ] - [ -0.0000165900000000, 0.0000216700000000, -0.0000898700000000 ] - [ -0.0000091600000000, 0.0000220400000000, -0.0000894400000000 ] - [ 0.0273216700000000, -0.0294230800000000, -0.0004506900000000 ] - [ 0.0252639400000000, 0.0268385500000000, -0.0045862100000000 ] - [ 0.0252939600000000, 0.0269256400000000, -0.0045881300000000 ] - [ 0.0272789800000000, -0.0293241000000000, -0.0004493500000000 ] - [ -0.0027539700000000, -0.0000305500000000, -0.0006007100000000 ] - [ 0.0027521700000000, -0.0000237400000000, 0.0000129800000000 ] - [ -0.0027540800000000, -0.0000313600000000, -0.0006012500000000 ] - [ 0.0027517700000000, -0.0000199300000000, 0.0000133600000000 ] - [ -0.0015016500000000, 0.0008542400000000, 0.0046778800000000 ] - [ 0.0008614100000000, 0.0002298000000000, -0.0035455600000000 ] - [ -0.0007415800000000, 0.0003140800000000, 0.0013567000000000 ] - [ 0.0000281200000000, 0.0004937400000000, -0.0009858600000000 ] - [ 0.0210572700000000, 0.0004070900000000, -0.0039517600000000 ] - [ -0.0051348700000000, 0.0004168900000000, 0.0004583100000000 ] - [ 0.0030815200000000, 0.0003074000000000, 0.0000801900000000 ] - [ -0.0022239500000000, 0.0003401000000000, 0.0003046600000000 ] - [ 0.0322245900000000, 0.0138138900000000, 0.0079032900000000 ] - [ -0.0118647100000000, -0.0015861100000000, 0.0021369800000000 ] - [ 0.0051419000000000, 0.0082720200000000, 0.0009981200000000 ] - [ -0.0072453400000000, -0.0055027700000000, 0.0025139900000000 ] - [ 0.0014002400000000, -0.0006538300000000, 0.0020326500000000 ] - [ -0.0014669700000000, 0.0006257300000000, 0.0017925100000000 ] - [ 0.0010459700000000, -0.0002065700000000, 0.0018293300000000 ] - [ -0.0010243700000000, 0.0001906200000000, 0.0016480600000000 ] - [ 0.0412797900000000, -0.0255069100000000, -0.0001736200000000 ] - [ -0.0116769300000000, 0.0016606300000000, 0.0005467800000000 ] - [ 0.0050256400000000, -0.0082605000000000, 0.0002770400000000 ] - [ -0.0075231700000000, 0.0060337300000000, 0.0002002500000000 ] - [ 0.0014952500000000, 0.0006851700000000, 0.0003164900000000 ] - [ -0.0014953800000000, -0.0006793600000000, 0.0001318500000000 ] - [ 0.0010022900000000, 0.0001837500000000, 0.0000634100000000 ] - [ -0.0010024400000000, -0.0001943700000000, 0.0000640500000000 ] - [ -0.0050032800000000, 0.0037545600000000, -0.0061147300000000 ] - [ -0.0021007300000000, -0.0049295200000000, 0.0067306300000000 ] - [ -0.0043662200000000, -0.0044288500000000, -0.0049708000000000 ] - [ -0.0017605600000000, 0.0045738900000000, 0.0064424100000000 ] - [ 0.0020123800000000, -0.0001438700000000, 0.0004162400000000 ] - [ -0.0011095500000000, -0.0003675700000000, 0.0001297400000000 ] - [ 0.0016986700000000, -0.0007176900000000, 0.0006501200000000 ] - [ -0.0011362400000000, -0.0004095800000000, 0.0000365500000000 ] - [ -0.0009656400000000, 0.0053772500000000, 0.0061795600000000 ] - [ -0.0035835700000000, -0.0036296700000000, -0.0052379600000000 ] - [ -0.0013014300000000, -0.0041588800000000, 0.0064725000000000 ] - [ -0.0042155400000000, 0.0045253600000000, -0.0063741500000000 ] - [ 0.0009098700000000, 0.0000666900000000, 0.0003944100000000 ] - [ -0.0019264600000000, 0.0003823300000000, -0.0002324400000000 ] - [ 0.0012252100000000, 0.0006540500000000, 0.0001614500000000 ] - [ -0.0018992000000000, 0.0004197900000000, -0.0001392600000000 ] - [ 0.0009978200000000, 0.0001815200000000, 0.0000628500000000 ] - [ -0.0009998300000000, -0.0001920900000000, 0.0000644700000000 ] - [ 0.0014856300000000, 0.0006832200000000, 0.0003148300000000 ] - [ -0.0014933600000000, -0.0006806100000000, 0.0001334200000000 ] - [ 0.0010504500000000, -0.0002082800000000, -0.0015728400000000 ] - [ -0.0010271000000000, 0.0001927000000000, -0.0017545400000000 ] - [ 0.0014087100000000, -0.0006561300000000, -0.0013712900000000 ] - [ -0.0014687200000000, 0.0006244500000000, -0.0016112600000000 ] - [ 0.0050181700000000, -0.0082591500000000, 0.0002776500000000 ] - [ -0.0075175500000000, 0.0060267600000000, 0.0002012300000000 ] - [ 0.0393642800000000, -0.0231894000000000, -0.0001801600000000 ] - [ -0.0116838900000000, 0.0016378500000000, 0.0005476000000000 ] - [ 0.0051504400000000, 0.0082735000000000, -0.0024056900000000 ] - [ -0.0072508200000000, -0.0055077400000000, -0.0008881300000000 ] - [ 0.0339018500000000, 0.0157444600000000, 0.0049493100000000 ] - [ -0.0118541300000000, -0.0016088900000000, -0.0012643600000000 ] - [ 0.0201346500000000, -0.0004547500000000, -0.0037337900000000 ] - [ -0.0059152700000000, -0.0003748800000000, 0.0001960000000000 ] - [ 0.0022938200000000, -0.0004836700000000, -0.0001875700000000 ] - [ -0.0030139100000000, -0.0004484700000000, 0.0000385300000000 ] - [ 0.0016681600000000, -0.0005609100000000, -0.0038192100000000 ] - [ -0.0007175500000000, 0.0000588200000000, 0.0043765200000000 ] - [ 0.0008207800000000, -0.0002956400000000, -0.0012525200000000 ] - [ 0.0000458600000000, -0.0004751600000000, 0.0010896100000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0020918900000000, 0.0020918900000000, 0.0230708200000000 ] - [ -0.0006521600000000, -0.0003270500000000, 0.0021563500000000 ] - [ -0.0003270500000000, -0.0006521600000000, 0.0021563500000000 ] - [ -0.0003061000000000, -0.0003061000000000, 0.0012032600000000 ] - [ 0.0181481700000000, -0.0014719900000000, 0.0018080400000000 ] - [ -0.0241978900000000, -0.0000585500000000, 0.0003589400000000 ] - [ 0.0007445000000000, -0.0003107500000000, 0.0003978500000000 ] - [ -0.0002230000000000, -0.0004470200000000, 0.0001213600000000 ] - [ -0.0000585500000000, -0.0241978900000000, 0.0003589400000000 ] - [ -0.0004470200000000, -0.0002230000000000, 0.0001213600000000 ] - [ -0.0014719900000000, 0.0181481700000000, 0.0018080400000000 ] - [ -0.0003107500000000, 0.0007445000000000, 0.0003978500000000 ] - [ -0.0008725600000000, 0.0018522500000000, 0.0026692100000000 ] - [ 0.0016517400000000, 0.0016517400000000, 0.0025256100000000 ] - [ -0.0012170000000000, -0.0012170000000000, 0.0030012600000000 ] - [ 0.0018522500000000, -0.0008725600000000, 0.0026692100000000 ] - [ 0.0012584400000000, -0.0014728400000000, 0.0009108300000000 ] - [ -0.0018160500000000, -0.0018160500000000, 0.0012460000000000 ] - [ 0.0010579300000000, 0.0010579300000000, 0.0007691200000000 ] - [ -0.0014728400000000, 0.0012584400000000, 0.0009108300000000 ] - [ -0.0008656200000000, 0.0174354900000000, 0.0000865900000000 ] - [ 0.0002876000000000, 0.0001470300000000, -0.0013509200000000 ] - [ 0.0005412900000000, -0.0246437100000000, -0.0013555800000000 ] - [ 0.0001541300000000, -0.0008216600000000, -0.0016278800000000 ] - [ -0.0246437100000000, 0.0005412900000000, -0.0013555800000000 ] - [ 0.0174354900000000, -0.0008656200000000, 0.0000865900000000 ] - [ -0.0008216600000000, 0.0001541300000000, -0.0016278800000000 ] - [ 0.0001470300000000, 0.0002876000000000, -0.0013509200000000 ] - [ 0.0026972100000000, 0.0026972100000000, 0.0214775300000000 ] - [ -0.0000546900000000, 0.0002713200000000, 0.0004026100000000 ] - [ 0.0002713200000000, -0.0000546900000000, 0.0004026100000000 ] - [ 0.0002923900000000, 0.0002923900000000, -0.0005510300000000 ] - [ 0.0083615100000000, 0.0083615100000000, -0.2183858300000000 ] - [ -0.0004617200000000, -0.0007670500000000, -0.0053604500000000 ] - [ -0.0007670500000000, -0.0004617200000000, -0.0053604500000000 ] - [ 0.0000997500000000, 0.0000997500000000, -0.0010633100000000 ] - [ 0.0005861500000000, -0.0006008000000000, 0.0103278800000000 ] - [ 0.0005867000000000, -0.0006011900000000, 0.0103251100000000 ] - [ 0.0000923400000000, 0.0000136000000000, 0.0018829800000000 ] - [ 0.0000874200000000, 0.0000129600000000, 0.0018825100000000 ] - [ 0.0004091400000000, 0.0004907100000000, -0.0068059300000000 ] - [ 0.0046142700000000, 0.0046142700000000, -0.0088087900000000 ] - [ 0.0045601400000000, 0.0045601400000000, -0.0087925500000000 ] - [ 0.0004907100000000, 0.0004091400000000, -0.0068059300000000 ] - [ -0.0006011900000000, 0.0005867000000000, 0.0103251100000000 ] - [ 0.0000129600000000, 0.0000874200000000, 0.0018825100000000 ] - [ -0.0006008000000000, 0.0005861500000000, 0.0103278800000000 ] - [ 0.0000136000000000, 0.0000923400000000, 0.0018829800000000 ] - [ 0.0025700800000000, 0.0000435900000000, -0.0064111100000000 ] - [ -0.0048769600000000, -0.0002690800000000, -0.0062553800000000 ] - [ -0.0002410600000000, 0.0006803200000000, -0.0007839400000000 ] - [ -0.0007856800000000, 0.0006324600000000, -0.0007840200000000 ] - [ -0.0050996300000000, -0.0050996300000000, 0.0558855800000000 ] - [ -0.0005234200000000, 0.0005584600000000, 0.0018471100000000 ] - [ 0.0005584600000000, -0.0005234200000000, 0.0018471100000000 ] - [ 0.0002413500000000, 0.0002413500000000, 0.0006670100000000 ] - [ 0.0038020600000000, 0.0038020600000000, 0.0233455200000000 ] - [ 0.0006688900000000, -0.0008436300000000, 0.0043872200000000 ] - [ -0.0008436300000000, 0.0006688900000000, 0.0043872200000000 ] - [ -0.0005988200000000, -0.0005988200000000, 0.0032703000000000 ] - [ 0.0004685900000000, 0.0004685900000000, -0.0028937500000000 ] - [ -0.0000314600000000, 0.0000584600000000, 0.0000269500000000 ] - [ 0.0000584600000000, -0.0000314600000000, 0.0000269500000000 ] - [ -0.0000800900000000, -0.0000800900000000, 0.0010016500000000 ] - [ -0.0009290300000000, -0.0003616700000000, 0.0185615900000000 ] - [ -0.0010331300000000, 0.0004929100000000, 0.0027305600000000 ] - [ 0.0004904500000000, -0.0010203700000000, 0.0027273300000000 ] - [ -0.0000889800000000, -0.0000964300000000, 0.0012526000000000 ] - [ 0.0001155500000000, 0.0001157900000000, -0.0042872800000000 ] - [ -0.0000226400000000, 0.0000124100000000, -0.0017352500000000 ] - [ 0.0000084100000000, -0.0000259300000000, -0.0017363900000000 ] - [ -0.0000383500000000, -0.0000387100000000, -0.0006717100000000 ] - [ -0.0018518700000000, 0.0014313400000000, 0.0026575300000000 ] - [ 0.0032610300000000, 0.0032610300000000, 0.0049986300000000 ] - [ -0.0013855500000000, -0.0013855500000000, 0.0014905900000000 ] - [ 0.0014313400000000, -0.0018518700000000, 0.0026575300000000 ] - [ -0.0002690800000000, -0.0048769600000000, -0.0062553800000000 ] - [ 0.0006324600000000, -0.0007856800000000, -0.0007840200000000 ] - [ 0.0000435900000000, 0.0025700800000000, -0.0064111100000000 ] - [ 0.0006803200000000, -0.0002410600000000, -0.0007839400000000 ] - [ 0.0022284600000000, -0.0010768700000000, 0.0023681700000000 ] - [ -0.0005998600000000, -0.0005998600000000, 0.0012148100000000 ] - [ 0.0040486400000000, 0.0040486400000000, 0.0047038200000000 ] - [ -0.0010768700000000, 0.0022284600000000, 0.0023681700000000 ] - [ -0.0007472100000000, 0.0033677700000000, -0.0066833000000000 ] - [ -0.0001088400000000, 0.0005501500000000, -0.0010448700000000 ] - [ -0.0010615300000000, -0.0041030600000000, -0.0065314700000000 ] - [ -0.0001575600000000, 0.0000020700000000, -0.0010452600000000 ] - [ 0.0000124100000000, -0.0000226400000000, -0.0017352500000000 ] - [ -0.0000387100000000, -0.0000383500000000, -0.0006717100000000 ] - [ 0.0001157900000000, 0.0001155500000000, -0.0042872800000000 ] - [ -0.0000259300000000, 0.0000084100000000, -0.0017363900000000 ] - [ 0.0000545600000000, -0.0000287800000000, -0.0033758000000000 ] - [ -0.0000792500000000, -0.0000792500000000, -0.0024009800000000 ] - [ 0.0004691400000000, 0.0004691400000000, -0.0062934600000000 ] - [ -0.0000287800000000, 0.0000545600000000, -0.0033758000000000 ] - [ 0.0004929100000000, -0.0010331300000000, 0.0027305600000000 ] - [ -0.0000964300000000, -0.0000889800000000, 0.0012526000000000 ] - [ -0.0003616700000000, -0.0009290300000000, 0.0185615900000000 ] - [ -0.0010203700000000, 0.0004904500000000, 0.0027273300000000 ] - [ -0.0008484100000000, 0.0006531300000000, 0.0009895300000000 ] - [ -0.0005984200000000, -0.0005984200000000, -0.0001287600000000 ] - [ 0.0034684400000000, 0.0034684400000000, 0.0198173600000000 ] - [ 0.0006531300000000, -0.0008484100000000, 0.0009895300000000 ] - [ -0.0051087500000000, -0.0051087500000000, 0.0500132800000000 ] - [ -0.0013081700000000, -0.0002327100000000, 0.0015746700000000 ] - [ -0.0002327100000000, -0.0013081700000000, 0.0015746700000000 ] - [ -0.0005493200000000, -0.0005493200000000, 0.0004022800000000 ] - [ -0.0041030600000000, -0.0010615300000000, -0.0065314700000000 ] - [ 0.0033677700000000, -0.0007472100000000, -0.0066833000000000 ] - [ 0.0000020700000000, -0.0001575600000000, -0.0010452600000000 ] - [ 0.0005501500000000, -0.0001088400000000, -0.0010448700000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0125594300000000, -0.0000240300000000, 0.0000366800000000 ] - [ 0.0063677200000000, -0.0004017300000000, 0.0017056800000000 ] - [ -0.0004718900000000, -0.0004139700000000, 0.0009611600000000 ] - [ -0.0000884400000000, -0.0000157800000000, 0.0008125300000000 ] - [ 0.0012247400000000, -0.0004605700000000, 0.0005769400000000 ] - [ -0.0004698300000000, -0.0002641800000000, 0.0009500800000000 ] - [ 0.0006213600000000, -0.0002899700000000, 0.0008924300000000 ] - [ -0.0000467800000000, -0.0002904700000000, 0.0009172000000000 ] - [ -0.0005437800000000, 0.0000823100000000, 0.0005652800000000 ] - [ -0.0000815100000000, 0.0004673600000000, 0.0012177800000000 ] - [ -0.0005536100000000, 0.0005731300000000, 0.0006204500000000 ] - [ -0.0000217100000000, 0.0001312700000000, 0.0011680500000000 ] - [ 0.0086432200000000, 0.0003606400000000, 0.0011379200000000 ] - [ -0.0018424000000000, 0.0005825400000000, 0.0007984300000000 ] - [ 0.0045766000000000, 0.0009585600000000, 0.0010060300000000 ] - [ -0.0012051500000000, -0.0000899400000000, 0.0007681800000000 ] - [ 0.0017382800000000, -0.0007011600000000, -0.0011474300000000 ] - [ -0.0014243700000000, -0.0001791200000000, -0.0006538800000000 ] - [ 0.0014877800000000, 0.0002978100000000, -0.0009330000000000 ] - [ -0.0013334900000000, -0.0005029600000000, -0.0006165100000000 ] - [ -0.0004276300000000, -0.0014919600000000, 0.0003221200000000 ] - [ -0.0001290200000000, 0.0012400500000000, -0.0028743500000000 ] - [ -0.0001704300000000, 0.0008757100000000, -0.0001859300000000 ] - [ 0.0001883100000000, -0.0019646900000000, -0.0022595000000000 ] - [ 0.0080720600000000, 0.0000297200000000, -0.0047881300000000 ] - [ -0.0027607900000000, 0.0003669700000000, -0.0014330400000000 ] - [ 0.0001483500000000, 0.0001829300000000, -0.0008941800000000 ] - [ -0.0007840100000000, 0.0003262900000000, -0.0009456300000000 ] - [ -0.0010606900000000, 0.0005008400000000, -0.0022379400000000 ] - [ 0.0000141700000000, 0.0000917800000000, 0.0008883800000000 ] - [ 0.0002240300000000, 0.0001793900000000, -0.0010324400000000 ] - [ 0.0003946600000000, 0.0004420000000000, -0.0005855800000000 ] - [ -0.0011211800000000, -0.0003246700000000, 0.0029552200000000 ] - [ 0.0012771000000000, 0.0002579900000000, -0.0045132700000000 ] - [ -0.0003526900000000, -0.0000136500000000, 0.0001533300000000 ] - [ 0.0004291700000000, 0.0000258400000000, -0.0003939000000000 ] - [ 0.0206651600000000, 0.0000279900000000, 0.0051265100000000 ] - [ -0.0055411900000000, 0.0000878900000000, 0.0009382800000000 ] - [ 0.0026887400000000, -0.0000227100000000, -0.0001648300000000 ] - [ -0.0026214100000000, 0.0000550500000000, 0.0001558000000000 ] - [ 0.0016210800000000, -0.0001691300000000, 0.0006690600000000 ] - [ -0.0015066000000000, 0.0001013300000000, -0.0002410900000000 ] - [ 0.0013074600000000, 0.0004610100000000, 0.0003533600000000 ] - [ -0.0015336900000000, -0.0000835000000000, -0.0002896600000000 ] - [ -0.0046220600000000, -0.0049706400000000, -0.0014566200000000 ] - [ -0.0016753500000000, 0.0045462600000000, 0.0036727200000000 ] - [ -0.0039877300000000, 0.0040287100000000, -0.0009870000000000 ] - [ -0.0013396900000000, -0.0041431900000000, 0.0018423000000000 ] - [ -0.0464252100000000, 0.0027904400000000, -0.0047872600000000 ] - [ 0.0040449400000000, 0.0004724200000000, -0.0000146100000000 ] - [ -0.0011162500000000, 0.0004744800000000, 0.0002037200000000 ] - [ 0.0002947100000000, 0.0004269600000000, 0.0001605200000000 ] - [ 0.0009547900000000, 0.0005331100000000, -0.0000091900000000 ] - [ -0.0000975900000000, 0.0003213300000000, 0.0005665900000000 ] - [ 0.0005635800000000, 0.0003762200000000, 0.0002835700000000 ] - [ 0.0002068700000000, 0.0003867000000000, -0.0000225100000000 ] - [ 0.0011728700000000, 0.0005831600000000, 0.0015082000000000 ] - [ -0.0017260400000000, -0.0002946900000000, 0.0021926200000000 ] - [ 0.0005477400000000, 0.0000997600000000, 0.0016640700000000 ] - [ -0.0006664500000000, -0.0001969100000000, 0.0017859200000000 ] - [ 0.0025403100000000, -0.0005719600000000, 0.0018936200000000 ] - [ -0.0016102900000000, -0.0033863100000000, -0.0066721400000000 ] - [ 0.0015344000000000, -0.0010779400000000, 0.0019273200000000 ] - [ -0.0012408200000000, 0.0011518400000000, 0.0014814700000000 ] - [ -0.0004915900000000, 0.0006151000000000, -0.0005378500000000 ] - [ 0.0007754500000000, -0.0006392200000000, 0.0006144500000000 ] - [ -0.0001819500000000, -0.0000817100000000, -0.0000934300000000 ] - [ 0.0002706700000000, 0.0000252800000000, 0.0001626200000000 ] - [ 0.0048599600000000, 0.0067608000000000, 0.0105202800000000 ] - [ 0.0025680300000000, -0.0007067700000000, -0.0017125600000000 ] - [ -0.0008180700000000, -0.0011497200000000, -0.0000117900000000 ] - [ 0.0011404900000000, 0.0010911500000000, -0.0002347200000000 ] - [ -0.0009823900000000, -0.0003185400000000, 0.0000933600000000 ] - [ 0.0001462300000000, -0.0003873100000000, 0.0001145300000000 ] - [ -0.0008465800000000, -0.0005357400000000, 0.0001203600000000 ] - [ 0.0001066400000000, -0.0003759400000000, 0.0001017100000000 ] - [ 0.0024159400000000, 0.0016153500000000, 0.0001601300000000 ] - [ 0.0021176100000000, -0.0066024000000000, -0.0014380600000000 ] - [ 0.0012984100000000, -0.0013698500000000, -0.0002177900000000 ] - [ 0.0004389600000000, 0.0016325000000000, -0.0000997900000000 ] - [ -0.0010183700000000, 0.0013863700000000, -0.0010163300000000 ] - [ 0.0012116100000000, 0.0002332800000000, 0.0001282300000000 ] - [ -0.0010201100000000, -0.0004796500000000, -0.0005341200000000 ] - [ 0.0012121400000000, 0.0006522200000000, 0.0001723400000000 ] - [ 0.0000758500000000, 0.0015657900000000, 0.0012844100000000 ] - [ 0.0001583400000000, -0.0004529100000000, -0.0016985400000000 ] - [ 0.0001667800000000, -0.0004558100000000, 0.0010589000000000 ] - [ 0.0000683900000000, 0.0009485300000000, -0.0013861600000000 ] - [ 0.0017035100000000, 0.0012664500000000, 0.0002732700000000 ] - [ -0.0016896500000000, -0.0012381300000000, -0.0001683300000000 ] - [ 0.0024828800000000, 0.0003558100000000, 0.0003075300000000 ] - [ -0.0018541400000000, 0.0047059100000000, -0.0078399400000000 ] - [ -0.0009835700000000, 0.0012873100000000, -0.0017005800000000 ] - [ 0.0015487900000000, -0.0013487200000000, -0.0021716100000000 ] - [ 0.0039406100000000, -0.0080838000000000, 0.0064726700000000 ] - [ 0.0027997000000000, 0.0017110700000000, -0.0039153000000000 ] - [ 0.0005295600000000, -0.0001235300000000, 0.0000045900000000 ] - [ -0.0006882400000000, 0.0002182100000000, -0.0000187900000000 ] - [ 0.0012147700000000, -0.0006683300000000, -0.0003333500000000 ] - [ -0.0017904100000000, 0.0002746700000000, 0.0000874100000000 ] - [ -0.0001861400000000, 0.0000942000000000, -0.0017827700000000 ] - [ 0.0002678700000000, -0.0000465800000000, -0.0016030400000000 ] - [ -0.0004467000000000, -0.0005825100000000, -0.0021148700000000 ] - [ 0.0007441200000000, 0.0006334200000000, -0.0010331200000000 ] - [ 0.0023746900000000, -0.0013772400000000, -0.0048824800000000 ] - [ 0.0023797000000000, 0.0004764100000000, 0.0070220600000000 ] - [ -0.0003712600000000, -0.0002358300000000, -0.0004034100000000 ] - [ -0.0003744500000000, -0.0006502600000000, 0.0004464500000000 ] - [ 0.0020519300000000, -0.0010029700000000, 0.0040589200000000 ] - [ 0.0014261100000000, -0.0003622200000000, -0.0005791700000000 ] - [ -0.0001384400000000, -0.0003625100000000, -0.0002013700000000 ] - [ 0.0009953100000000, -0.0004636400000000, -0.0002148400000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0119933500000000, -0.0005770900000000, 0.0017279700000000 ] - [ -0.0059683000000000, -0.0001250400000000, -0.0000143400000000 ] - [ -0.0001317200000000, -0.0001835200000000, 0.0007906800000000 ] - [ -0.0005045300000000, -0.0005807300000000, 0.0009398200000000 ] - [ -0.0006209700000000, -0.0001418900000000, 0.0011589800000000 ] - [ 0.0010654900000000, -0.0003336000000000, 0.0008004700000000 ] - [ -0.0000229200000000, -0.0003074000000000, 0.0008579100000000 ] - [ 0.0006439200000000, -0.0003076500000000, 0.0008336600000000 ] - [ -0.0000599000000000, 0.0005139500000000, 0.0011855000000000 ] - [ -0.0005115300000000, 0.0001296900000000, 0.0005317800000000 ] - [ -0.0000511700000000, 0.0000275800000000, 0.0011286300000000 ] - [ -0.0005710100000000, 0.0004673800000000, 0.0005809000000000 ] - [ -0.0080344300000000, 0.0002187500000000, 0.0006238500000000 ] - [ 0.0024352300000000, 0.0000295800000000, 0.0009530200000000 ] - [ -0.0039747200000000, -0.0003187900000000, 0.0007481700000000 ] - [ 0.0017969200000000, 0.0006758900000000, 0.0009818000000000 ] - [ -0.0023405200000000, 0.0000892900000000, -0.0006064500000000 ] - [ 0.0008252700000000, -0.0004150600000000, -0.0010916600000000 ] - [ -0.0020857500000000, -0.0008733100000000, -0.0008149100000000 ] - [ 0.0007330500000000, -0.0000992900000000, -0.0011280900000000 ] - [ 0.0010192400000000, 0.0009026000000000, -0.0020833700000000 ] - [ 0.0007336400000000, -0.0018283100000000, 0.0011109100000000 ] - [ 0.0007613200000000, -0.0014803400000000, -0.0015706500000000 ] - [ 0.0004153300000000, 0.0013515600000000, 0.0004976800000000 ] - [ -0.0086376500000000, 0.0005622300000000, 0.0029546500000000 ] - [ 0.0021502600000000, 0.0002302300000000, -0.0003377500000000 ] - [ -0.0007457900000000, 0.0004130000000000, -0.0008546900000000 ] - [ 0.0001846800000000, 0.0002723500000000, -0.0008073000000000 ] - [ 0.0016325500000000, 0.0000935800000000, 0.0004946200000000 ] - [ 0.0006067000000000, 0.0005069300000000, -0.0026295000000000 ] - [ 0.0003701500000000, 0.0004195700000000, -0.0007182800000000 ] - [ 0.0002066500000000, 0.0001560300000000, -0.0011643200000000 ] - [ 0.0010994300000000, 0.0003264800000000, -0.0029831600000000 ] - [ -0.0012520100000000, -0.0002519700000000, 0.0044670000000000 ] - [ 0.0003427300000000, 0.0000138600000000, -0.0001553400000000 ] - [ -0.0004201500000000, -0.0000262900000000, 0.0003900400000000 ] - [ -0.0205234900000000, -0.0000196100000000, -0.0050588700000000 ] - [ 0.0055099800000000, -0.0000883300000000, -0.0008940100000000 ] - [ -0.0026863200000000, 0.0000193300000000, 0.0001610900000000 ] - [ 0.0026178800000000, -0.0000530500000000, -0.0001518700000000 ] - [ -0.0016165100000000, 0.0001621800000000, -0.0006616400000000 ] - [ 0.0015028500000000, -0.0000967000000000, 0.0002338000000000 ] - [ -0.0013006700000000, -0.0004516900000000, -0.0003497400000000 ] - [ 0.0015295100000000, 0.0000777300000000, 0.0002818000000000 ] - [ 0.0045977600000000, 0.0049807600000000, 0.0014726500000000 ] - [ 0.0017269600000000, -0.0045421800000000, -0.0036373200000000 ] - [ 0.0039629900000000, -0.0040297600000000, 0.0009992200000000 ] - [ 0.0013865900000000, 0.0041369800000000, -0.0018176700000000 ] - [ 0.0444953300000000, -0.0020437100000000, 0.0050450300000000 ] - [ -0.0048231000000000, 0.0003137300000000, 0.0002732100000000 ] - [ 0.0003225400000000, 0.0003158700000000, 0.0000631900000000 ] - [ -0.0010836100000000, 0.0003635000000000, 0.0001038300000000 ] - [ -0.0001573500000000, 0.0002574400000000, 0.0002835600000000 ] - [ 0.0008758400000000, 0.0004680600000000, -0.0002884700000000 ] - [ 0.0002286000000000, 0.0004129200000000, -0.0000178300000000 ] - [ 0.0005800300000000, 0.0004028100000000, 0.0002887800000000 ] - [ -0.0011681000000000, -0.0005842200000000, 0.0018998400000000 ] - [ 0.0017073000000000, 0.0002933500000000, 0.0012106800000000 ] - [ -0.0005437500000000, -0.0000969500000000, 0.0017401200000000 ] - [ 0.0006595300000000, 0.0001941400000000, 0.0016181100000000 ] - [ -0.0025275300000000, 0.0005632100000000, 0.0014991800000000 ] - [ 0.0015251500000000, 0.0034049500000000, 0.0100741600000000 ] - [ -0.0015290800000000, 0.0010772300000000, 0.0014726800000000 ] - [ 0.0012313400000000, -0.0011497200000000, 0.0019182800000000 ] - [ 0.0005058000000000, -0.0006104900000000, 0.0005359600000000 ] - [ -0.0007762800000000, 0.0006351100000000, -0.0006072300000000 ] - [ 0.0001861300000000, 0.0000779000000000, 0.0000932600000000 ] - [ -0.0002734200000000, -0.0000226300000000, -0.0001602200000000 ] - [ -0.0048324500000000, -0.0067870100000000, -0.0106021000000000 ] - [ -0.0025644200000000, 0.0006810800000000, 0.0016824400000000 ] - [ 0.0008232500000000, 0.0011510000000000, 0.0000107800000000 ] - [ -0.0011448800000000, -0.0010889700000000, 0.0002318700000000 ] - [ 0.0001898900000000, -0.0004649200000000, 0.0001740900000000 ] - [ -0.0009344300000000, -0.0004030400000000, 0.0001515200000000 ] - [ 0.0000538900000000, -0.0002598200000000, 0.0001496800000000 ] - [ -0.0008944700000000, -0.0004123200000000, 0.0001647600000000 ] - [ -0.0016257500000000, -0.0024252900000000, 0.0000970600000000 ] - [ -0.0013379900000000, 0.0057524800000000, 0.0016882000000000 ] - [ -0.0005026100000000, 0.0005846600000000, 0.0004789100000000 ] - [ 0.0003409700000000, -0.0024083100000000, 0.0003560500000000 ] - [ 0.0018157700000000, -0.0005870700000000, 0.0007338500000000 ] - [ -0.0004208100000000, 0.0005524500000000, -0.0003866600000000 ] - [ 0.0018140200000000, 0.0012548800000000, 0.0002636600000000 ] - [ -0.0004202900000000, 0.0001434400000000, -0.0004309600000000 ] - [ -0.0008614100000000, -0.0007776400000000, -0.0015567900000000 ] - [ -0.0009568800000000, 0.0012442000000000, 0.0014288400000000 ] - [ -0.0009485000000000, 0.0012412800000000, -0.0013296400000000 ] - [ -0.0008687800000000, -0.0001610000000000, 0.0011164700000000 ] - [ -0.0016996100000000, -0.0012684600000000, -0.0002775700000000 ] - [ 0.0016768500000000, 0.0012385100000000, 0.0001684000000000 ] - [ -0.0024696200000000, -0.0003434200000000, -0.0003180900000000 ] - [ 0.0017711900000000, -0.0047243800000000, 0.0078289200000000 ] - [ 0.0009957800000000, -0.0012837000000000, -0.0016960100000000 ] - [ -0.0015521200000000, 0.0013458000000000, -0.0012366300000000 ] - [ -0.0039000700000000, 0.0081116500000000, -0.0099351400000000 ] - [ -0.0027882500000000, -0.0016729400000000, 0.0004736200000000 ] - [ -0.0005256800000000, 0.0001206200000000, -0.0000031500000000 ] - [ 0.0006816000000000, -0.0002144100000000, 0.0000194200000000 ] - [ -0.0012106300000000, 0.0006692100000000, 0.0003391000000000 ] - [ 0.0017724800000000, -0.0002728700000000, -0.0000833900000000 ] - [ 0.0001905200000000, -0.0000905800000000, -0.0016206500000000 ] - [ -0.0002708700000000, 0.0000442200000000, -0.0017975800000000 ] - [ 0.0004608700000000, 0.0005773000000000, -0.0012898200000000 ] - [ -0.0007446700000000, -0.0006299800000000, -0.0023618900000000 ] - [ -0.0031693700000000, 0.0005963800000000, 0.0046657700000000 ] - [ -0.0031641000000000, -0.0012576300000000, -0.0072071600000000 ] - [ -0.0004149700000000, -0.0005546600000000, 0.0001397200000000 ] - [ -0.0004181200000000, -0.0001411800000000, -0.0007080400000000 ] - [ -0.0012556400000000, 0.0001821000000000, -0.0041268800000000 ] - [ -0.0006370200000000, -0.0004264400000000, 0.0002997400000000 ] - [ 0.0009280700000000, -0.0004266900000000, -0.0000637600000000 ] - [ -0.0002064600000000, -0.0003269300000000, -0.0000527400000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0012585800000000, -0.0005201400000000, 0.0082061900000000 ] - [ -0.0035835200000000, -0.0012078500000000, 0.0124852600000000 ] - [ -0.0001339100000000, -0.0001900300000000, 0.0022336900000000 ] - [ -0.0004472600000000, -0.0001013200000000, 0.0021937200000000 ] - [ 0.0006905900000000, -0.0006905900000000, -0.0063163700000000 ] - [ 0.0002798900000000, -0.0002876100000000, -0.0006708000000000 ] - [ 0.0002876100000000, -0.0002798900000000, -0.0006708000000000 ] - [ 0.0003296800000000, -0.0003296800000000, -0.0000737300000000 ] - [ -0.0001758600000000, 0.0004189600000000, -0.0012825200000000 ] - [ -0.0004359700000000, 0.0004359700000000, -0.0013255100000000 ] - [ -0.0002442100000000, 0.0002442100000000, -0.0013223000000000 ] - [ -0.0004189600000000, 0.0001758600000000, -0.0012825200000000 ] - [ 0.0012078500000000, 0.0035835200000000, 0.0124852600000000 ] - [ 0.0001013200000000, 0.0004472600000000, 0.0021937200000000 ] - [ 0.0005201400000000, -0.0012585800000000, 0.0082061900000000 ] - [ 0.0001900300000000, 0.0001339100000000, 0.0022336900000000 ] - [ -0.0006085200000000, -0.0038638100000000, -0.0034658500000000 ] - [ -0.0002545000000000, -0.0004174400000000, -0.0016600900000000 ] - [ -0.0002970300000000, 0.0038762600000000, -0.0029397800000000 ] - [ -0.0002557100000000, -0.0001202100000000, -0.0016451400000000 ] - [ 0.0022416300000000, 0.0012677300000000, -0.0003888800000000 ] - [ -0.0017271300000000, 0.0017271300000000, -0.0007376500000000 ] - [ 0.0021596100000000, -0.0021596100000000, -0.0001603600000000 ] - [ -0.0012677300000000, -0.0022416300000000, -0.0003888800000000 ] - [ -0.0027879300000000, 0.0027879300000000, 0.0247568800000000 ] - [ -0.0004852300000000, 0.0003897100000000, -0.0002834100000000 ] - [ -0.0003897100000000, 0.0004852300000000, -0.0002834100000000 ] - [ -0.0003278700000000, 0.0003278700000000, -0.0002272300000000 ] - [ -0.0038762600000000, 0.0002970300000000, -0.0029397800000000 ] - [ 0.0038638100000000, 0.0006085200000000, -0.0034658500000000 ] - [ 0.0001202100000000, 0.0002557100000000, -0.0016451400000000 ] - [ 0.0004174400000000, 0.0002545000000000, -0.0016600900000000 ] - [ 0.0045589800000000, 0.0005242500000000, -0.0065399000000000 ] - [ -0.0037115000000000, 0.0002888900000000, -0.0063790500000000 ] - [ 0.0012265700000000, -0.0000997300000000, -0.0009101400000000 ] - [ -0.0011232200000000, -0.0000063400000000, -0.0009094100000000 ] - [ 0.0034639100000000, -0.0034639100000000, 0.0502741800000000 ] - [ -0.0003175000000000, -0.0000519900000000, 0.0016939300000000 ] - [ 0.0000519900000000, 0.0003175000000000, 0.0016939300000000 ] - [ -0.0001688100000000, 0.0001688100000000, 0.0005312400000000 ] - [ -0.0002888900000000, 0.0037115000000000, -0.0063790500000000 ] - [ 0.0000063400000000, 0.0011232200000000, -0.0009094100000000 ] - [ -0.0005242500000000, -0.0045589800000000, -0.0065399000000000 ] - [ 0.0000997300000000, -0.0012265700000000, -0.0009101400000000 ] - [ -0.0062386400000000, -0.0062982700000000, 0.0024942500000000 ] - [ 0.0065895600000000, -0.0065895600000000, 0.0048092100000000 ] - [ -0.0051012300000000, 0.0051012300000000, 0.0013434200000000 ] - [ 0.0062982700000000, 0.0062386400000000, 0.0024942500000000 ] - [ -0.0047493000000000, 0.0047493000000000, -0.1571240400000000 ] - [ -0.0005394300000000, 0.0003241000000000, -0.0019070000000000 ] - [ -0.0003241000000000, 0.0005394300000000, -0.0019070000000000 ] - [ -0.0003667100000000, 0.0003667100000000, -0.0010145300000000 ] - [ 0.0005339800000000, 0.0004081700000000, 0.0043346800000000 ] - [ -0.0000237300000000, 0.0004340400000000, 0.0042241200000000 ] - [ 0.0002433500000000, 0.0004276900000000, 0.0016027300000000 ] - [ 0.0005516800000000, 0.0004145300000000, 0.0015308700000000 ] - [ -0.0011274600000000, -0.0009732900000000, 0.0025645600000000 ] - [ 0.0024878700000000, -0.0024878700000000, 0.0059602500000000 ] - [ -0.0002613900000000, 0.0002613900000000, 0.0020472100000000 ] - [ 0.0009732900000000, 0.0011274600000000, 0.0025645600000000 ] - [ 0.0015215700000000, 0.0000016800000000, 0.0010245200000000 ] - [ -0.0131143600000000, 0.0131143600000000, 0.0111813100000000 ] - [ 0.0010489600000000, -0.0010489600000000, 0.0015377800000000 ] - [ -0.0000016800000000, -0.0015215700000000, 0.0010245200000000 ] - [ -0.0019518600000000, -0.0024473000000000, 0.0036538000000000 ] - [ 0.0011400500000000, -0.0009071200000000, 0.0008961700000000 ] - [ -0.0009479500000000, 0.0012122600000000, 0.0010845900000000 ] - [ 0.0001499600000000, 0.0002074800000000, 0.0003293300000000 ] - [ 0.0140301900000000, 0.0121195300000000, 0.0051072300000000 ] - [ -0.0011399600000000, -0.0001863300000000, -0.0010789300000000 ] - [ -0.0001907300000000, -0.0012567800000000, -0.0007191000000000 ] - [ -0.0010067500000000, -0.0010549900000000, -0.0003936600000000 ] - [ -0.0004340400000000, 0.0000237300000000, 0.0042241200000000 ] - [ -0.0004145300000000, -0.0005516800000000, 0.0015308700000000 ] - [ -0.0004081700000000, -0.0005339800000000, 0.0043346800000000 ] - [ -0.0004276900000000, -0.0002433500000000, 0.0016027300000000 ] - [ 0.0003694400000000, -0.0006163100000000, -0.0035163300000000 ] - [ 0.0019316000000000, -0.0019316000000000, -0.0050091400000000 ] - [ 0.0007429200000000, -0.0007429200000000, -0.0029922300000000 ] - [ 0.0006163100000000, -0.0003694400000000, -0.0035163300000000 ] - [ -0.0000036900000000, -0.0043858500000000, 0.0016884700000000 ] - [ 0.0006949500000000, 0.0001236800000000, -0.0007296400000000 ] - [ -0.0004792000000000, 0.0075232700000000, 0.0016910500000000 ] - [ 0.0006511200000000, 0.0009715200000000, -0.0007280200000000 ] - [ 0.0008541100000000, 0.0018116700000000, 0.0016044400000000 ] - [ -0.0015857700000000, 0.0015857700000000, 0.0013896800000000 ] - [ 0.0011644500000000, -0.0011644500000000, 0.0013897100000000 ] - [ -0.0018116700000000, -0.0008541100000000, 0.0016044400000000 ] - [ 0.0010549900000000, 0.0010067500000000, -0.0003936600000000 ] - [ 0.0001863300000000, 0.0011399600000000, -0.0010789300000000 ] - [ 0.0012567800000000, 0.0001907300000000, -0.0007191000000000 ] - [ -0.0121195300000000, -0.0140301900000000, 0.0051072300000000 ] - [ -0.0005574000000000, 0.0010582600000000, -0.0028030000000000 ] - [ -0.0007949700000000, 0.0007949700000000, -0.0024884000000000 ] - [ 0.0115732800000000, -0.0115732800000000, -0.0011779000000000 ] - [ -0.0010582600000000, 0.0005574000000000, -0.0028030000000000 ] - [ -0.0002074800000000, -0.0001499600000000, 0.0003293300000000 ] - [ 0.0009071200000000, -0.0011400500000000, 0.0008961700000000 ] - [ -0.0012122600000000, 0.0009479500000000, 0.0010845900000000 ] - [ 0.0024473000000000, 0.0019518600000000, 0.0036538000000000 ] - [ -0.0008553900000000, -0.0010824000000000, -0.0006678700000000 ] - [ 0.0001565100000000, -0.0001565100000000, -0.0013401300000000 ] - [ -0.0018511200000000, 0.0018511200000000, 0.0020711100000000 ] - [ 0.0010824000000000, 0.0008553900000000, -0.0006678700000000 ] - [ -0.0075232700000000, 0.0004792000000000, 0.0016910500000000 ] - [ 0.0043858500000000, 0.0000036900000000, 0.0016884700000000 ] - [ -0.0009715200000000, -0.0006511200000000, -0.0007280200000000 ] - [ -0.0001236800000000, -0.0006949500000000, -0.0007296400000000 ] - [ 0.0044608800000000, -0.0044608800000000, 0.0303766600000000 ] - [ -0.0000443600000000, -0.0003264200000000, 0.0005165800000000 ] - [ 0.0003264200000000, 0.0000443600000000, 0.0005165800000000 ] - [ 0.0003133200000000, -0.0003133200000000, 0.0005575300000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0019678500000000, -0.0000697500000000, -0.0064609400000000 ] - [ 0.0030675900000000, 0.0006269800000000, -0.0107439100000000 ] - [ -0.0004695300000000, -0.0004135000000000, -0.0004780400000000 ] - [ -0.0001440500000000, -0.0005045800000000, -0.0004405300000000 ] - [ -0.0001009600000000, 0.0001009600000000, 0.0080666600000000 ] - [ 0.0003207200000000, -0.0003103000000000, 0.0024209200000000 ] - [ 0.0003103000000000, -0.0003207200000000, 0.0024209200000000 ] - [ 0.0002694600000000, -0.0002694600000000, 0.0018240400000000 ] - [ -0.0004148700000000, 0.0001875900000000, 0.0030316600000000 ] - [ -0.0001702400000000, 0.0001702400000000, 0.0030746900000000 ] - [ -0.0003442000000000, 0.0003442000000000, 0.0030727400000000 ] - [ -0.0001875900000000, 0.0004148700000000, 0.0030316600000000 ] - [ -0.0006269800000000, -0.0030675900000000, -0.0107439100000000 ] - [ 0.0005045800000000, 0.0001440500000000, -0.0004405300000000 ] - [ 0.0000697500000000, 0.0019678500000000, -0.0064609400000000 ] - [ 0.0004135000000000, 0.0004695300000000, -0.0004780400000000 ] - [ 0.0000131900000000, 0.0032966700000000, 0.0017033100000000 ] - [ -0.0003420200000000, -0.0001811100000000, -0.0000997300000000 ] - [ -0.0003026900000000, -0.0045146200000000, 0.0011748900000000 ] - [ -0.0003406700000000, -0.0004778800000000, -0.0001145900000000 ] - [ -0.0016453800000000, -0.0018627900000000, -0.0013402800000000 ] - [ 0.0023218500000000, -0.0023218500000000, -0.0009820800000000 ] - [ -0.0015568900000000, 0.0015568900000000, -0.0015765400000000 ] - [ 0.0018627900000000, 0.0016453800000000, -0.0013402800000000 ] - [ 0.0018950900000000, -0.0018950900000000, -0.0245446200000000 ] - [ -0.0001048800000000, 0.0002107800000000, -0.0014499500000000 ] - [ -0.0002107800000000, 0.0001048800000000, -0.0014499500000000 ] - [ -0.0002688300000000, 0.0002688300000000, -0.0015183300000000 ] - [ 0.0045146200000000, 0.0003026900000000, 0.0011748900000000 ] - [ -0.0032966700000000, -0.0000131900000000, 0.0017033100000000 ] - [ 0.0004778800000000, 0.0003406700000000, -0.0001145900000000 ] - [ 0.0001811100000000, 0.0003420200000000, -0.0000997300000000 ] - [ -0.0044962700000000, -0.0005205700000000, 0.0065549300000000 ] - [ 0.0036534600000000, -0.0002888600000000, 0.0064083000000000 ] - [ -0.0012196500000000, 0.0000962500000000, 0.0009190300000000 ] - [ 0.0011154300000000, 0.0000030700000000, 0.0009202900000000 ] - [ -0.0042406400000000, 0.0042406400000000, -0.0556104200000000 ] - [ 0.0003365500000000, 0.0000556400000000, -0.0017281100000000 ] - [ -0.0000556400000000, -0.0003365500000000, -0.0017281100000000 ] - [ 0.0001745800000000, -0.0001745800000000, -0.0005368400000000 ] - [ 0.0002888600000000, -0.0036534600000000, 0.0064083000000000 ] - [ -0.0000030700000000, -0.0011154300000000, 0.0009202900000000 ] - [ 0.0005205700000000, 0.0044962700000000, 0.0065549300000000 ] - [ -0.0000962500000000, 0.0012196500000000, 0.0009190300000000 ] - [ 0.0062513000000000, 0.0063243400000000, -0.0025318400000000 ] - [ -0.0066143000000000, 0.0066143000000000, -0.0048943800000000 ] - [ 0.0051082900000000, -0.0051082900000000, -0.0013620000000000 ] - [ -0.0063243400000000, -0.0062513000000000, -0.0025318400000000 ] - [ 0.0051063900000000, -0.0051063900000000, 0.1611245200000000 ] - [ -0.0002525300000000, 0.0004651100000000, 0.0021750800000000 ] - [ -0.0004651100000000, 0.0002525300000000, 0.0021750800000000 ] - [ -0.0004239400000000, 0.0004239400000000, 0.0012791700000000 ] - [ 0.0002417300000000, 0.0003791700000000, -0.0040736500000000 ] - [ 0.0008318400000000, 0.0003537500000000, -0.0039639300000000 ] - [ 0.0005451500000000, 0.0003651900000000, -0.0013356200000000 ] - [ 0.0002408000000000, 0.0003780700000000, -0.0012638600000000 ] - [ 0.0011159100000000, 0.0009656900000000, 0.0008326100000000 ] - [ -0.0024559300000000, 0.0024559300000000, -0.0025483300000000 ] - [ 0.0002594100000000, -0.0002594100000000, 0.0013535300000000 ] - [ -0.0009656900000000, -0.0011159100000000, 0.0008326100000000 ] - [ -0.0015304100000000, -0.0000014500000000, 0.0023908900000000 ] - [ 0.0132791300000000, -0.0132791300000000, -0.0078323400000000 ] - [ -0.0010521300000000, 0.0010521300000000, 0.0018702600000000 ] - [ 0.0000014500000000, 0.0015304100000000, 0.0023908900000000 ] - [ 0.0019244200000000, 0.0024072400000000, -0.0036405700000000 ] - [ -0.0011311000000000, 0.0009019000000000, -0.0009028100000000 ] - [ 0.0009420900000000, -0.0012005700000000, -0.0010889200000000 ] - [ -0.0001498300000000, -0.0002052400000000, -0.0003320300000000 ] - [ -0.0141619200000000, -0.0122408400000000, -0.0050588500000000 ] - [ 0.0011351600000000, 0.0001927500000000, 0.0011053400000000 ] - [ 0.0001967100000000, 0.0012636000000000, 0.0007301000000000 ] - [ 0.0010084500000000, 0.0010573400000000, 0.0004003300000000 ] - [ -0.0003537500000000, -0.0008318400000000, -0.0039639300000000 ] - [ -0.0003780700000000, -0.0002408000000000, -0.0012638600000000 ] - [ -0.0003791700000000, -0.0002417300000000, -0.0040736500000000 ] - [ -0.0003651900000000, -0.0005451500000000, -0.0013356200000000 ] - [ 0.0004328600000000, -0.0001611500000000, 0.0037953100000000 ] - [ -0.0011939300000000, 0.0011939300000000, 0.0052991600000000 ] - [ 0.0000464800000000, -0.0000464800000000, 0.0032607800000000 ] - [ 0.0001611500000000, -0.0004328600000000, 0.0037953100000000 ] - [ 0.0007942000000000, 0.0051624800000000, -0.0020156000000000 ] - [ 0.0000920600000000, 0.0006671400000000, 0.0004521400000000 ] - [ 0.0012710200000000, -0.0067052400000000, -0.0020128400000000 ] - [ 0.0001366800000000, -0.0001825900000000, 0.0004537500000000 ] - [ -0.0016490000000000, -0.0010293000000000, -0.0018560100000000 ] - [ 0.0008024300000000, -0.0008024300000000, -0.0016385300000000 ] - [ -0.0019634400000000, 0.0019634400000000, -0.0016384500000000 ] - [ 0.0010293000000000, 0.0016490000000000, -0.0018560100000000 ] - [ -0.0010573400000000, -0.0010084500000000, 0.0004003300000000 ] - [ -0.0001927500000000, -0.0011351600000000, 0.0011053400000000 ] - [ -0.0012636000000000, -0.0001967100000000, 0.0007301000000000 ] - [ 0.0122408400000000, 0.0141619200000000, -0.0050588500000000 ] - [ 0.0005768600000000, -0.0010523300000000, -0.0005732300000000 ] - [ 0.0007916300000000, -0.0007916300000000, -0.0009018100000000 ] - [ -0.0116409100000000, 0.0116409100000000, -0.0021103100000000 ] - [ 0.0010523300000000, -0.0005768600000000, -0.0005732300000000 ] - [ 0.0002052400000000, 0.0001498300000000, -0.0003320300000000 ] - [ -0.0009019000000000, 0.0011311000000000, -0.0009028100000000 ] - [ 0.0012005700000000, -0.0009420900000000, -0.0010889200000000 ] - [ -0.0024072400000000, -0.0019244200000000, -0.0036405700000000 ] - [ 0.0008516500000000, 0.0010737600000000, -0.0027400100000000 ] - [ -0.0001557000000000, 0.0001557000000000, -0.0020656600000000 ] - [ 0.0018161300000000, -0.0018161300000000, -0.0054516100000000 ] - [ -0.0010737600000000, -0.0008516500000000, -0.0027400100000000 ] - [ 0.0067052400000000, -0.0012710200000000, -0.0020128400000000 ] - [ -0.0051624800000000, -0.0007942000000000, -0.0020156000000000 ] - [ 0.0001825900000000, -0.0001366800000000, 0.0004537500000000 ] - [ -0.0006671400000000, -0.0000920600000000, 0.0004521400000000 ] - [ -0.0037254300000000, 0.0037254300000000, -0.0311138000000000 ] - [ 0.0008349200000000, -0.0004644900000000, -0.0007651800000000 ] - [ 0.0004644900000000, -0.0008349200000000, -0.0007651800000000 ] - [ 0.0004758700000000, -0.0004758700000000, -0.0008151700000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0012537900000000, -0.0000161700000000, 0.0038752900000000 ] - [ -0.0013881800000000, -0.0000349300000000, 0.0000785800000000 ] - [ 0.0004081100000000, -0.0003075300000000, 0.0012720400000000 ] - [ -0.0010290000000000, -0.0007269600000000, 0.0002530700000000 ] - [ -0.0035026800000000, -0.0002885200000000, -0.0013791700000000 ] - [ 0.0043658600000000, 0.0047342300000000, 0.0065695400000000 ] - [ -0.0006517600000000, -0.0003363000000000, 0.0006252600000000 ] - [ 0.0017368500000000, -0.0026941200000000, 0.0019444200000000 ] - [ 0.0038565800000000, 0.0052865100000000, -0.0047332900000000 ] - [ -0.0041020300000000, 0.0003166000000000, 0.0031085700000000 ] - [ 0.0011477900000000, -0.0020967100000000, -0.0001944000000000 ] - [ -0.0012530600000000, 0.0002592100000000, 0.0011215800000000 ] - [ -0.0007874900000000, 0.0005630200000000, 0.0016754200000000 ] - [ 0.0018425700000000, 0.0005745900000000, -0.0021326900000000 ] - [ -0.0004310200000000, -0.0001307000000000, 0.0014990900000000 ] - [ 0.0010045100000000, 0.0002913100000000, 0.0004769000000000 ] - [ -0.0010662300000000, 0.0000231800000000, -0.0013827200000000 ] - [ 0.0002159700000000, -0.0003820000000000, 0.0014536300000000 ] - [ -0.0008382900000000, -0.0006788900000000, -0.0013500000000000 ] - [ 0.0002083400000000, -0.0002406000000000, -0.0008218800000000 ] - [ 0.0071924900000000, 0.0028986300000000, 0.0004610800000000 ] - [ -0.0042019800000000, -0.0006173700000000, -0.0027879300000000 ] - [ 0.0017708200000000, -0.0032160900000000, -0.0000819300000000 ] - [ -0.0008081700000000, -0.0000426900000000, -0.0010103000000000 ] - [ -0.0048004500000000, -0.0000290800000000, 0.0010579400000000 ] - [ 0.0063967300000000, 0.0036699900000000, -0.0023821200000000 ] - [ -0.0014012900000000, 0.0005569400000000, -0.0007367900000000 ] - [ 0.0011640600000000, -0.0026168200000000, -0.0016687900000000 ] - [ 0.0008173500000000, 0.0002176800000000, -0.0031977200000000 ] - [ -0.0004738500000000, 0.0006197100000000, -0.0003722500000000 ] - [ 0.0008075100000000, 0.0003550500000000, -0.0009270000000000 ] - [ -0.0002428700000000, -0.0000806800000000, -0.0004024300000000 ] - [ 0.0338388600000000, 0.0158293600000000, 0.0038788600000000 ] - [ -0.0118401800000000, 0.0082349600000000, 0.0006620800000000 ] - [ 0.0051660800000000, -0.0016040000000000, -0.0008440400000000 ] - [ -0.0072496500000000, -0.0054966000000000, -0.0005979400000000 ] - [ -0.0014651800000000, 0.0002075500000000, 0.0000303500000000 ] - [ 0.0014023400000000, 0.0006555600000000, -0.0004703800000000 ] - [ -0.0010239000000000, -0.0001923000000000, 0.0000800400000000 ] - [ 0.0010462100000000, -0.0006258500000000, -0.0000558100000000 ] - [ -0.0118795800000000, 0.0083119600000000, -0.0006600600000000 ] - [ 0.0322788900000000, 0.0137252700000000, -0.0033979100000000 ] - [ -0.0072470400000000, -0.0055147100000000, 0.0005992900000000 ] - [ 0.0051277000000000, -0.0015908900000000, 0.0008473600000000 ] - [ 0.0014073800000000, 0.0006543200000000, 0.0004675900000000 ] - [ -0.0014698100000000, 0.0002069900000000, -0.0000301900000000 ] - [ 0.0010503500000000, -0.0006245600000000, 0.0000574000000000 ] - [ -0.0010280300000000, -0.0001915500000000, -0.0000797500000000 ] - [ 0.0007751200000000, 0.0001991100000000, -0.0009918900000000 ] - [ -0.0021083300000000, 0.0000989000000000, 0.0026103700000000 ] - [ 0.0001503400000000, 0.0004931200000000, -0.0001288800000000 ] - [ -0.0010571000000000, 0.0009783200000000, 0.0011021100000000 ] - [ -0.0012148700000000, 0.0037747800000000, 0.0133374500000000 ] - [ 0.0029291400000000, -0.0007523600000000, -0.0013854900000000 ] - [ -0.0008431700000000, 0.0009638500000000, 0.0001328900000000 ] - [ 0.0019272100000000, 0.0014706500000000, -0.0009155200000000 ] - [ -0.1410450900000000, -0.0908061300000000, 0.0013331000000000 ] - [ 0.0072099800000000, 0.0007631400000000, 0.0016971400000000 ] - [ -0.0018724800000000, 0.0007631300000000, 0.0017018800000000 ] - [ 0.0042332000000000, 0.0034499000000000, 0.0017004500000000 ] - [ -0.0016572900000000, -0.0000000900000000, 0.0017010800000000 ] - [ 0.0012395700000000, -0.0006742200000000, 0.0017010500000000 ] - [ -0.0009579800000000, 0.0006741300000000, 0.0017009100000000 ] - [ 0.0006376300000000, 0.0000000100000000, 0.0017011100000000 ] - [ 0.0241414900000000, -0.0047199000000000, 0.0024704500000000 ] - [ 0.0238245200000000, -0.0046791100000000, -0.0024300800000000 ] - [ -0.0005826800000000, 0.0018024000000000, 0.0002044700000000 ] - [ -0.0005720700000000, 0.0017945000000000, -0.0002048400000000 ] - [ 0.0001855300000000, -0.0003455700000000, -0.0000051600000000 ] - [ 0.0001910500000000, -0.0003427700000000, 0.0000051200000000 ] - [ 0.0001690500000000, 0.0003429500000000, 0.0000192900000000 ] - [ 0.0001716400000000, 0.0003436100000000, -0.0000196700000000 ] - [ 0.0021388400000000, -0.0015493500000000, 0.0016663600000000 ] - [ -0.0019202900000000, 0.0030162300000000, -0.0130546100000000 ] - [ 0.0011364700000000, 0.0006844100000000, 0.0011854900000000 ] - [ -0.0016287200000000, 0.0001712600000000, 0.0001299700000000 ] - [ -0.0013249000000000, -0.0006868300000000, -0.0023333800000000 ] - [ 0.0015658800000000, -0.0005899500000000, 0.0012515900000000 ] - [ -0.0002687200000000, 0.0001890600000000, -0.0008370500000000 ] - [ 0.0009412100000000, -0.0002963600000000, 0.0003919800000000 ] - [ 0.0031840900000000, -0.0008952300000000, -0.0011972900000000 ] - [ 0.0043346100000000, 0.0084816500000000, 0.0114331400000000 ] - [ 0.0019439800000000, 0.0017440400000000, -0.0009290400000000 ] - [ -0.0005919000000000, -0.0012990900000000, -0.0006985200000000 ] - [ -0.0008500800000000, -0.0001839900000000, 0.0016961700000000 ] - [ 0.0003524100000000, 0.0004872000000000, -0.0012078300000000 ] - [ -0.0005841100000000, 0.0010261000000000, 0.0007201500000000 ] - [ -0.0001241000000000, 0.0003496400000000, -0.0002878400000000 ] - [ -0.0012911000000000, -0.0003648400000000, -0.0000591900000000 ] - [ 0.0009465000000000, 0.0003601200000000, -0.0000254100000000 ] - [ -0.0012927500000000, -0.0003673900000000, 0.0000588200000000 ] - [ 0.0009468800000000, 0.0003606500000000, 0.0000250700000000 ] - [ 0.0001782700000000, -0.0003202000000000, -0.0017562300000000 ] - [ 0.0001820300000000, 0.0003212400000000, -0.0015870800000000 ] - [ 0.0001790500000000, 0.0003220800000000, -0.0018156900000000 ] - [ 0.0001828500000000, -0.0003228700000000, -0.0016462300000000 ] - [ -0.0099539400000000, 0.0049003600000000, 0.0001076200000000 ] - [ 0.0045314500000000, -0.0019766500000000, 0.0001100900000000 ] - [ -0.0100023600000000, 0.0048151300000000, -0.0001191100000000 ] - [ 0.0045251100000000, -0.0019630600000000, -0.0001112200000000 ] - [ -0.0003707500000000, -0.0026973900000000, -0.0013433100000000 ] - [ 0.0171626600000000, 0.0160340600000000, -0.0046249100000000 ] - [ 0.0172886100000000, 0.0160981600000000, 0.0012386400000000 ] - [ -0.0003465100000000, -0.0026789600000000, -0.0020575400000000 ] - [ 0.0035057800000000, 0.0077131500000000, -0.0117804700000000 ] - [ 0.0024038800000000, -0.0016758700000000, 0.0009131500000000 ] - [ -0.0013873800000000, -0.0020848300000000, 0.0004361000000000 ] - [ 0.0011571100000000, 0.0009502700000000, 0.0006575100000000 ] - [ 0.0011365800000000, -0.0003021500000000, 0.0009483700000000 ] - [ -0.0000572000000000, -0.0009755600000000, -0.0019708800000000 ] - [ 0.0006630700000000, -0.0004401500000000, 0.0000244600000000 ] - [ 0.0002076200000000, 0.0002375200000000, -0.0009870800000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003358000000000, 0.0003358000000000, -0.0023914100000000 ] - [ -0.0006923400000000, -0.0002169100000000, 0.0001455000000000 ] - [ -0.0002169100000000, -0.0006923400000000, 0.0001455000000000 ] - [ -0.0004551600000000, -0.0004551600000000, 0.0005505300000000 ] - [ -0.0010552700000000, -0.0002451100000000, 0.0011731500000000 ] - [ 0.0050533100000000, -0.0050533100000000, -0.0019089300000000 ] - [ 0.0002509400000000, -0.0002509400000000, 0.0010096000000000 ] - [ 0.0002451100000000, 0.0010552700000000, 0.0011731500000000 ] - [ -0.0050533100000000, 0.0050533100000000, -0.0019089300000000 ] - [ 0.0010552700000000, 0.0002451100000000, 0.0011731500000000 ] - [ -0.0002451100000000, -0.0010552700000000, 0.0011731500000000 ] - [ -0.0002509400000000, 0.0002509400000000, 0.0010096000000000 ] - [ 0.0006923400000000, 0.0002169100000000, 0.0001455000000000 ] - [ -0.0003358000000000, -0.0003358000000000, -0.0023914100000000 ] - [ 0.0004551600000000, 0.0004551600000000, 0.0005505300000000 ] - [ 0.0002169100000000, 0.0006923400000000, 0.0001455000000000 ] - [ -0.0006822400000000, -0.0001537900000000, -0.0013966900000000 ] - [ 0.0002131000000000, 0.0002131000000000, -0.0038667400000000 ] - [ -0.0004920600000000, -0.0004920600000000, -0.0012219800000000 ] - [ -0.0001537900000000, -0.0006822400000000, -0.0013966900000000 ] - [ 0.0018249600000000, -0.0018249600000000, 0.0032482000000000 ] - [ -0.0009877400000000, -0.0002634500000000, 0.0001393000000000 ] - [ 0.0002634500000000, 0.0009877400000000, 0.0001393000000000 ] - [ -0.0000368300000000, 0.0000368300000000, -0.0005180500000000 ] - [ 0.0009877400000000, 0.0002634500000000, 0.0001393000000000 ] - [ -0.0018249600000000, 0.0018249600000000, 0.0032482000000000 ] - [ 0.0000368300000000, -0.0000368300000000, -0.0005180500000000 ] - [ -0.0002634500000000, -0.0009877400000000, 0.0001393000000000 ] - [ -0.0002131000000000, -0.0002131000000000, -0.0038667400000000 ] - [ 0.0006822400000000, 0.0001537900000000, -0.0013966900000000 ] - [ 0.0001537900000000, 0.0006822400000000, -0.0013966900000000 ] - [ 0.0004920600000000, 0.0004920600000000, -0.0012219800000000 ] - [ 0.0063869200000000, 0.0063869200000000, 0.0215026900000000 ] - [ 0.0004310600000000, -0.0006915100000000, 0.0026842300000000 ] - [ -0.0006915100000000, 0.0004310600000000, 0.0026842300000000 ] - [ 0.0008008400000000, 0.0008008400000000, 0.0015663500000000 ] - [ -0.0000933100000000, 0.0001263500000000, -0.0016744300000000 ] - [ -0.0003277100000000, 0.0003277100000000, -0.0045883700000000 ] - [ 0.0000514200000000, -0.0000514200000000, -0.0006986000000000 ] - [ -0.0001263500000000, 0.0000933100000000, -0.0016744300000000 ] - [ -0.0004310600000000, 0.0006915100000000, 0.0026842300000000 ] - [ -0.0063869200000000, -0.0063869200000000, 0.0215026900000000 ] - [ -0.0008008400000000, -0.0008008400000000, 0.0015663500000000 ] - [ 0.0006915100000000, -0.0004310600000000, 0.0026842300000000 ] - [ 0.0003277100000000, -0.0003277100000000, -0.0045883700000000 ] - [ 0.0000933100000000, -0.0001263500000000, -0.0016744300000000 ] - [ 0.0001263500000000, -0.0000933100000000, -0.0016744300000000 ] - [ -0.0000514200000000, 0.0000514200000000, -0.0006986000000000 ] - [ -0.0005902300000000, 0.0003118300000000, 0.0010010400000000 ] - [ 0.0000924000000000, -0.0000924000000000, 0.0043766400000000 ] - [ -0.0004323700000000, 0.0004323700000000, 0.0004815200000000 ] - [ -0.0003118300000000, 0.0005902300000000, 0.0010010400000000 ] - [ 0.0088300200000000, 0.0088300200000000, 0.0097012100000000 ] - [ 0.0001963900000000, 0.0006120300000000, -0.0005544000000000 ] - [ 0.0006120300000000, 0.0001963900000000, -0.0005544000000000 ] - [ 0.0001692000000000, 0.0001692000000000, -0.0000385300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0529135500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007652000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007652000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012234900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032824500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021907500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021907500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019514300000000 ] - [ 0.0023933200000000, -0.0008878800000000, -0.0038332100000000 ] - [ -0.0023933200000000, 0.0008878800000000, -0.0038332100000000 ] - [ -0.0000414100000000, 0.0001640500000000, -0.0006459900000000 ] - [ 0.0000414100000000, -0.0001640500000000, -0.0006459900000000 ] - [ -0.0000502200000000, -0.0001486600000000, 0.0009982500000000 ] - [ 0.0000502200000000, 0.0001486600000000, 0.0009982500000000 ] - [ 0.0000021500000000, 0.0000447900000000, 0.0003736900000000 ] - [ -0.0000021500000000, -0.0000447900000000, 0.0003736900000000 ] - [ -0.0001963900000000, -0.0006120300000000, -0.0005544000000000 ] - [ -0.0088300200000000, -0.0088300200000000, 0.0097012100000000 ] - [ -0.0001692000000000, -0.0001692000000000, -0.0000385300000000 ] - [ -0.0006120300000000, -0.0001963900000000, -0.0005544000000000 ] - [ -0.0000924000000000, 0.0000924000000000, 0.0043766400000000 ] - [ 0.0005902300000000, -0.0003118300000000, 0.0010010400000000 ] - [ 0.0003118300000000, -0.0005902300000000, 0.0010010400000000 ] - [ 0.0004323700000000, -0.0004323700000000, 0.0004815200000000 ] - [ -0.0017901300000000, 0.0003941900000000, -0.0012416200000000 ] - [ 0.0085646200000000, 0.0085646200000000, 0.0003470900000000 ] - [ -0.0000723900000000, -0.0000723900000000, -0.0009196600000000 ] - [ 0.0003941900000000, -0.0017901300000000, -0.0012416200000000 ] - [ 0.0000187200000000, -0.0000187200000000, 0.0036323000000000 ] - [ -0.0010622000000000, 0.0003131700000000, 0.0009009300000000 ] - [ -0.0003131700000000, 0.0010622000000000, 0.0009009300000000 ] - [ -0.0004931500000000, 0.0004931500000000, 0.0002273000000000 ] - [ 0.0001486600000000, 0.0000502200000000, 0.0009982500000000 ] - [ -0.0000447900000000, -0.0000021500000000, 0.0003736900000000 ] - [ -0.0001486600000000, -0.0000502200000000, 0.0009982500000000 ] - [ 0.0000447900000000, 0.0000021500000000, 0.0003736900000000 ] - [ -0.0001112100000000, 0.0001112100000000, -0.0009876000000000 ] - [ 0.0000536400000000, 0.0000536400000000, -0.0009870900000000 ] - [ -0.0000536400000000, -0.0000536400000000, -0.0009870900000000 ] - [ 0.0001112100000000, -0.0001112100000000, -0.0009876000000000 ] - [ 0.0008878800000000, -0.0023933200000000, -0.0038332100000000 ] - [ -0.0001640500000000, 0.0000414100000000, -0.0006459900000000 ] - [ -0.0008878800000000, 0.0023933200000000, -0.0038332100000000 ] - [ 0.0001640500000000, -0.0000414100000000, -0.0006459900000000 ] - [ 0.0003579500000000, -0.0003579500000000, -0.0031042000000000 ] - [ -0.0028802800000000, -0.0028802800000000, -0.0012796100000000 ] - [ 0.0028802800000000, 0.0028802800000000, -0.0012796100000000 ] - [ -0.0003579500000000, 0.0003579500000000, -0.0031042000000000 ] - [ -0.0085646200000000, -0.0085646200000000, 0.0003470900000000 ] - [ 0.0017901300000000, -0.0003941900000000, -0.0012416200000000 ] - [ -0.0003941900000000, 0.0017901300000000, -0.0012416200000000 ] - [ 0.0000723900000000, 0.0000723900000000, -0.0009196600000000 ] - [ 0.0010622000000000, -0.0003131700000000, 0.0009009300000000 ] - [ -0.0000187200000000, 0.0000187200000000, 0.0036323000000000 ] - [ 0.0004931500000000, -0.0004931500000000, 0.0002273000000000 ] - [ 0.0003131700000000, -0.0010622000000000, 0.0009009300000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0009462400000000, -0.0009462400000000, 0.0041541500000000 ] - [ 0.0001000900000000, -0.0003808900000000, 0.0016040200000000 ] - [ -0.0003808900000000, 0.0001000900000000, 0.0016040200000000 ] - [ -0.0001413300000000, -0.0001413300000000, 0.0011954200000000 ] - [ 0.0016524100000000, -0.0003559100000000, 0.0005937500000000 ] - [ -0.0044983300000000, 0.0044983300000000, 0.0037563800000000 ] - [ 0.0003436200000000, -0.0003436200000000, 0.0007457000000000 ] - [ 0.0003559100000000, -0.0016524100000000, 0.0005937500000000 ] - [ 0.0044983300000000, -0.0044983300000000, 0.0037563800000000 ] - [ -0.0016524100000000, 0.0003559100000000, 0.0005937500000000 ] - [ -0.0003559100000000, 0.0016524100000000, 0.0005937500000000 ] - [ -0.0003436200000000, 0.0003436200000000, 0.0007457000000000 ] - [ -0.0001000900000000, 0.0003808900000000, 0.0016040200000000 ] - [ 0.0009462400000000, 0.0009462400000000, 0.0041541500000000 ] - [ 0.0001413300000000, 0.0001413300000000, 0.0011954200000000 ] - [ 0.0003808900000000, -0.0001000900000000, 0.0016040200000000 ] - [ 0.0000803300000000, -0.0004426500000000, -0.0003494100000000 ] - [ -0.0008067400000000, -0.0008067400000000, 0.0021108300000000 ] - [ -0.0001073200000000, -0.0001073200000000, -0.0005220000000000 ] - [ -0.0004426500000000, 0.0000803300000000, -0.0003494100000000 ] - [ -0.0010988200000000, 0.0010988200000000, -0.0051449600000000 ] - [ 0.0015838700000000, -0.0003321800000000, -0.0019050000000000 ] - [ 0.0003321800000000, -0.0015838700000000, -0.0019050000000000 ] - [ 0.0006391400000000, -0.0006391400000000, -0.0012378900000000 ] - [ -0.0015838700000000, 0.0003321800000000, -0.0019050000000000 ] - [ 0.0010988200000000, -0.0010988200000000, -0.0051449600000000 ] - [ -0.0006391400000000, 0.0006391400000000, -0.0012378900000000 ] - [ -0.0003321800000000, 0.0015838700000000, -0.0019050000000000 ] - [ 0.0008067400000000, 0.0008067400000000, 0.0021108300000000 ] - [ -0.0000803300000000, 0.0004426500000000, -0.0003494100000000 ] - [ 0.0004426500000000, -0.0000803300000000, -0.0003494100000000 ] - [ 0.0001073200000000, 0.0001073200000000, -0.0005220000000000 ] - [ -0.0064561500000000, -0.0064561500000000, -0.0216549500000000 ] - [ -0.0004414700000000, 0.0007159000000000, -0.0026924500000000 ] - [ 0.0007159000000000, -0.0004414700000000, -0.0026924500000000 ] - [ -0.0008253500000000, -0.0008253500000000, -0.0015749500000000 ] - [ 0.0000879400000000, -0.0001301500000000, 0.0016750300000000 ] - [ 0.0003339800000000, -0.0003339800000000, 0.0045987500000000 ] - [ -0.0000552500000000, 0.0000552500000000, 0.0007008100000000 ] - [ 0.0001301500000000, -0.0000879400000000, 0.0016750300000000 ] - [ 0.0004414700000000, -0.0007159000000000, -0.0026924500000000 ] - [ 0.0064561500000000, 0.0064561500000000, -0.0216549500000000 ] - [ 0.0008253500000000, 0.0008253500000000, -0.0015749500000000 ] - [ -0.0007159000000000, 0.0004414700000000, -0.0026924500000000 ] - [ -0.0003339800000000, 0.0003339800000000, 0.0045987500000000 ] - [ -0.0000879400000000, 0.0001301500000000, 0.0016750300000000 ] - [ -0.0001301500000000, 0.0000879400000000, 0.0016750300000000 ] - [ 0.0000552500000000, -0.0000552500000000, 0.0007008100000000 ] - [ -0.0001985100000000, 0.0004794900000000, -0.0007305500000000 ] - [ -0.0008894800000000, 0.0008894800000000, -0.0041316400000000 ] - [ -0.0003562000000000, 0.0003562000000000, -0.0002117800000000 ] - [ -0.0004794900000000, 0.0001985100000000, -0.0007305500000000 ] - [ -0.0079177300000000, -0.0079177300000000, -0.0093133200000000 ] - [ 0.0005907600000000, 0.0001750600000000, 0.0008123900000000 ] - [ 0.0001750600000000, 0.0005907600000000, 0.0008123900000000 ] - [ 0.0006236800000000, 0.0006236800000000, 0.0002944100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0564493000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026422800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026422800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021832200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001192700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012115400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012115400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014504600000000 ] - [ -0.0024704200000000, 0.0009102200000000, 0.0038222800000000 ] - [ 0.0024704200000000, -0.0009102200000000, 0.0038222800000000 ] - [ 0.0000428000000000, -0.0001707500000000, 0.0006484200000000 ] - [ -0.0000428000000000, 0.0001707500000000, 0.0006484200000000 ] - [ 0.0000566400000000, 0.0001512700000000, -0.0009989700000000 ] - [ -0.0000566400000000, -0.0001512700000000, -0.0009989700000000 ] - [ -0.0000000600000000, -0.0000442000000000, -0.0003736500000000 ] - [ 0.0000000600000000, 0.0000442000000000, -0.0003736500000000 ] - [ -0.0005907600000000, -0.0001750600000000, 0.0008123900000000 ] - [ 0.0079177300000000, 0.0079177300000000, -0.0093133200000000 ] - [ -0.0006236800000000, -0.0006236800000000, 0.0002944100000000 ] - [ -0.0001750600000000, -0.0005907600000000, 0.0008123900000000 ] - [ 0.0008894800000000, -0.0008894800000000, -0.0041316400000000 ] - [ 0.0001985100000000, -0.0004794900000000, -0.0007305500000000 ] - [ 0.0004794900000000, -0.0001985100000000, -0.0007305500000000 ] - [ 0.0003562000000000, -0.0003562000000000, -0.0002117800000000 ] - [ 0.0025982200000000, 0.0003983900000000, 0.0009885900000000 ] - [ -0.0078430100000000, -0.0078430100000000, -0.0005855100000000 ] - [ 0.0008622700000000, 0.0008622700000000, 0.0006673300000000 ] - [ 0.0003983900000000, 0.0025982200000000, 0.0009885900000000 ] - [ -0.0008060800000000, 0.0008060800000000, -0.0038898500000000 ] - [ 0.0002668500000000, 0.0004750500000000, -0.0011707900000000 ] - [ -0.0004750500000000, -0.0002668500000000, -0.0011707900000000 ] - [ -0.0002983500000000, 0.0002983500000000, -0.0004978000000000 ] - [ -0.0001512700000000, -0.0000566400000000, -0.0009989700000000 ] - [ 0.0000442000000000, 0.0000000600000000, -0.0003736500000000 ] - [ 0.0001512700000000, 0.0000566400000000, -0.0009989700000000 ] - [ -0.0000442000000000, -0.0000000600000000, -0.0003736500000000 ] - [ 0.0001172800000000, -0.0001172800000000, -0.0024160300000000 ] - [ -0.0000562600000000, -0.0000562600000000, -0.0024155300000000 ] - [ 0.0000562600000000, 0.0000562600000000, -0.0024155300000000 ] - [ -0.0001172800000000, 0.0001172800000000, -0.0024160300000000 ] - [ -0.0009102200000000, 0.0024704200000000, 0.0038222800000000 ] - [ 0.0001707500000000, -0.0000428000000000, 0.0006484200000000 ] - [ 0.0009102200000000, -0.0024704200000000, 0.0038222800000000 ] - [ -0.0001707500000000, 0.0000428000000000, 0.0006484200000000 ] - [ -0.0003563700000000, 0.0003563700000000, -0.0002990200000000 ] - [ 0.0029828400000000, 0.0029828400000000, -0.0021308500000000 ] - [ -0.0029828400000000, -0.0029828400000000, -0.0021308500000000 ] - [ 0.0003563700000000, -0.0003563700000000, -0.0002990200000000 ] - [ 0.0078430100000000, 0.0078430100000000, -0.0005855100000000 ] - [ -0.0025982200000000, -0.0003983900000000, 0.0009885900000000 ] - [ -0.0003983900000000, -0.0025982200000000, 0.0009885900000000 ] - [ -0.0008622700000000, -0.0008622700000000, 0.0006673300000000 ] - [ -0.0002668500000000, -0.0004750500000000, -0.0011707900000000 ] - [ 0.0008060800000000, -0.0008060800000000, -0.0038898500000000 ] - [ 0.0002983500000000, -0.0002983500000000, -0.0004978000000000 ] - [ 0.0004750500000000, 0.0002668500000000, -0.0011707900000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002127800000000, -0.0005921800000000, -0.0017880300000000 ] - [ -0.0011939900000000, -0.0007255500000000, 0.0014168400000000 ] - [ 0.0002252600000000, -0.0001358000000000, 0.0007381400000000 ] - [ -0.0008201900000000, 0.0000967200000000, 0.0014097900000000 ] - [ 0.0048566000000000, -0.0057596500000000, -0.0031621600000000 ] - [ -0.0042203700000000, -0.0001079000000000, 0.0028046800000000 ] - [ 0.0014476300000000, 0.0022566400000000, -0.0002367500000000 ] - [ -0.0005824700000000, -0.0002560800000000, 0.0010667500000000 ] - [ 0.0041127300000000, -0.0052417800000000, 0.0050374500000000 ] - [ -0.0048197400000000, 0.0004934500000000, -0.0010756900000000 ] - [ 0.0008402500000000, 0.0028512100000000, 0.0019868500000000 ] - [ -0.0011754100000000, 0.0003401100000000, 0.0006805500000000 ] - [ 0.0008151500000000, 0.0000041700000000, 0.0035306500000000 ] - [ -0.0006014300000000, -0.0001279000000000, 0.0003379800000000 ] - [ 0.0008246200000000, 0.0004629200000000, 0.0010094500000000 ] - [ -0.0002253600000000, 0.0006935600000000, 0.0003428600000000 ] - [ 0.0013125600000000, 0.0000262500000000, -0.0038466300000000 ] - [ -0.0013956800000000, -0.0007636200000000, -0.0001444900000000 ] - [ 0.0003297400000000, -0.0004059600000000, -0.0010673200000000 ] - [ -0.0009450200000000, 0.0000922900000000, -0.0003188100000000 ] - [ 0.0068508500000000, -0.0051081800000000, -0.0050910100000000 ] - [ -0.0036485200000000, 0.0003338700000000, 0.0013487800000000 ] - [ 0.0016363800000000, 0.0024791200000000, -0.0018494200000000 ] - [ -0.0007303100000000, -0.0003172700000000, -0.0006373700000000 ] - [ 0.0063719600000000, -0.0044148400000000, 0.0032222300000000 ] - [ -0.0042460900000000, 0.0009212200000000, -0.0030797200000000 ] - [ 0.0010476100000000, 0.0030755400000000, 0.0001020700000000 ] - [ -0.0013329300000000, 0.0002823600000000, -0.0011103100000000 ] - [ 0.0019057300000000, 0.0006254600000000, 0.0020999300000000 ] - [ -0.0007958400000000, -0.0001666100000000, -0.0016090500000000 ] - [ 0.0009258900000000, 0.0001899800000000, -0.0006817400000000 ] - [ -0.0003466200000000, 0.0006903200000000, -0.0014337600000000 ] - [ 0.0394241300000000, -0.0230854400000000, -0.0006387700000000 ] - [ -0.0116971700000000, -0.0082967600000000, -0.0010362000000000 ] - [ 0.0050038800000000, 0.0016439500000000, 0.0004921400000000 ] - [ -0.0075213200000000, 0.0060410500000000, -0.0000925000000000 ] - [ 0.0014928500000000, -0.0006837100000000, -0.0001172100000000 ] - [ -0.0014962100000000, -0.0001822600000000, 0.0000241100000000 ] - [ 0.0010020200000000, 0.0006800200000000, -0.0000111600000000 ] - [ -0.0010034700000000, 0.0001933200000000, 0.0000385300000000 ] - [ 0.0412102400000000, -0.0256068100000000, 0.0006514800000000 ] - [ -0.0116645700000000, -0.0082241700000000, 0.0010172800000000 ] - [ 0.0050412800000000, 0.0016544400000000, -0.0004908200000000 ] - [ -0.0075201100000000, 0.0060202300000000, 0.0000924500000000 ] - [ 0.0014888700000000, -0.0006846900000000, 0.0001136500000000 ] - [ -0.0014921300000000, -0.0001827800000000, -0.0000244000000000 ] - [ 0.0009981000000000, 0.0006803900000000, 0.0000097300000000 ] - [ -0.0009994200000000, 0.0001938000000000, -0.0000385600000000 ] - [ -0.0008958500000000, 0.0006692400000000, -0.0017986700000000 ] - [ 0.0003833500000000, 0.0006110000000000, 0.0012653600000000 ] - [ -0.0005799400000000, -0.0002735200000000, -0.0008110100000000 ] - [ -0.0001216200000000, 0.0002728500000000, 0.0002816500000000 ] - [ 0.0052643600000000, -0.0043194000000000, -0.0139198900000000 ] - [ 0.0029564600000000, 0.0016365000000000, 0.0012794600000000 ] - [ -0.0004228100000000, 0.0000464500000000, 0.0003252300000000 ] - [ 0.0015363400000000, -0.0008746900000000, 0.0011433400000000 ] - [ 0.0238275600000000, 0.0048363900000000, 0.0041132400000000 ] - [ 0.0241379200000000, 0.0048796600000000, -0.0007511600000000 ] - [ -0.0005717300000000, -0.0019658500000000, 0.0016587000000000 ] - [ -0.0005832000000000, -0.0019738400000000, 0.0017428600000000 ] - [ 0.0001905000000000, 0.0003647800000000, 0.0016481300000000 ] - [ 0.0001857700000000, 0.0003674200000000, 0.0017549400000000 ] - [ 0.0001714900000000, -0.0003606700000000, 0.0017023900000000 ] - [ 0.0001688500000000, -0.0003601000000000, 0.0017001600000000 ] - [ -0.1593569800000000, 0.1167847400000000, -0.0000235300000000 ] - [ 0.0074299300000000, -0.0008258200000000, 0.0000032600000000 ] - [ -0.0016440900000000, -0.0008257200000000, -0.0000003100000000 ] - [ 0.0046413500000000, -0.0039753500000000, 0.0000001500000000 ] - [ -0.0017198200000000, 0.0000000100000000, 0.0000008900000000 ] - [ 0.0013095700000000, 0.0007451500000000, 0.0000001400000000 ] - [ -0.0009661000000000, -0.0007452300000000, 0.0000001700000000 ] - [ 0.0005995600000000, 0.0000000000000000, 0.0000000800000000 ] - [ 0.0044277000000000, -0.0051111000000000, 0.0142713100000000 ] - [ 0.0021758600000000, 0.0008399700000000, -0.0009957200000000 ] - [ -0.0012184800000000, -0.0007458100000000, -0.0000622000000000 ] - [ 0.0007490700000000, -0.0016602500000000, -0.0008715200000000 ] - [ -0.0001016200000000, -0.0001216400000000, 0.0020773300000000 ] - [ 0.0011682100000000, -0.0001783000000000, -0.0010057900000000 ] - [ 0.0002118200000000, -0.0010639000000000, 0.0010788500000000 ] - [ 0.0006655900000000, -0.0005168700000000, -0.0000181300000000 ] - [ -0.0014586900000000, -0.0063615700000000, -0.0123305300000000 ] - [ 0.0028722000000000, 0.0015409200000000, 0.0011210600000000 ] - [ -0.0012899700000000, 0.0010844100000000, 0.0000574300000000 ] - [ 0.0020965200000000, -0.0006922700000000, 0.0009202000000000 ] - [ -0.0021752300000000, 0.0010087600000000, -0.0025620300000000 ] - [ 0.0008173700000000, 0.0003150900000000, 0.0010760500000000 ] - [ -0.0010789600000000, -0.0002420100000000, -0.0010370500000000 ] - [ 0.0001321400000000, 0.0004190300000000, 0.0000746000000000 ] - [ 0.0001777600000000, 0.0003488400000000, 0.0000455400000000 ] - [ 0.0001740300000000, -0.0003481500000000, -0.0000098900000000 ] - [ 0.0001771600000000, -0.0003470000000000, 0.0000104400000000 ] - [ 0.0001733700000000, 0.0003465200000000, -0.0000451500000000 ] - [ -0.0012926900000000, 0.0003450700000000, -0.0018507400000000 ] - [ 0.0009469100000000, -0.0003434300000000, -0.0016567100000000 ] - [ -0.0012912600000000, 0.0003433900000000, -0.0015508900000000 ] - [ 0.0009464700000000, -0.0003429800000000, -0.0017456600000000 ] - [ -0.0003812400000000, 0.0028458400000000, 0.0001032100000000 ] - [ 0.0194992000000000, -0.0179503400000000, -0.0001355300000000 ] - [ 0.0193434000000000, -0.0178712500000000, 0.0001345700000000 ] - [ -0.0004065100000000, 0.0028644700000000, -0.0001029600000000 ] - [ -0.0100030300000000, -0.0046577800000000, -0.0008031700000000 ] - [ 0.0045261800000000, 0.0017925800000000, -0.0018669400000000 ] - [ -0.0099532700000000, -0.0047400700000000, -0.0026013100000000 ] - [ 0.0045302000000000, 0.0018043900000000, -0.0015321000000000 ] - [ -0.0021666300000000, -0.0071857000000000, 0.0120286600000000 ] - [ 0.0020801800000000, 0.0007596900000000, -0.0013992200000000 ] - [ -0.0020765100000000, 0.0003031400000000, -0.0003213900000000 ] - [ 0.0013064900000000, -0.0014879900000000, -0.0011918400000000 ] - [ -0.0013875400000000, 0.0002170900000000, 0.0022921800000000 ] - [ 0.0016079400000000, -0.0004744100000000, -0.0013367200000000 ] - [ -0.0002908100000000, -0.0010319600000000, 0.0007718600000000 ] - [ 0.0009231000000000, -0.0003708700000000, -0.0003381700000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0009003200000000, -0.0002602400000000, -0.0022148100000000 ] - [ 0.0001798500000000, -0.0001684700000000, 0.0003826700000000 ] - [ -0.0005277500000000, -0.0005661900000000, 0.0001192100000000 ] - [ -0.0000498600000000, -0.0004339500000000, 0.0005433400000000 ] - [ -0.0031830700000000, -0.0034804200000000, 0.0014429200000000 ] - [ 0.0018336000000000, -0.0005819000000000, 0.0018510300000000 ] - [ 0.0002516200000000, 0.0008632600000000, 0.0013429400000000 ] - [ 0.0003886800000000, -0.0000756300000000, 0.0011073400000000 ] - [ 0.0031830700000000, 0.0034804200000000, 0.0014429200000000 ] - [ -0.0018336000000000, 0.0005819000000000, 0.0018510300000000 ] - [ -0.0002516200000000, -0.0008632600000000, 0.0013429400000000 ] - [ -0.0003886800000000, 0.0000756300000000, 0.0011073400000000 ] - [ 0.0009003200000000, 0.0002602400000000, -0.0022148100000000 ] - [ -0.0001798500000000, 0.0001684700000000, 0.0003826700000000 ] - [ 0.0005277500000000, 0.0005661900000000, 0.0001192100000000 ] - [ 0.0000498600000000, 0.0004339500000000, 0.0005433400000000 ] - [ -0.0003394700000000, 0.0003071100000000, -0.0039752800000000 ] - [ -0.0000284000000000, -0.0000687800000000, -0.0016329500000000 ] - [ -0.0004306200000000, -0.0007838100000000, -0.0013665400000000 ] - [ -0.0001634200000000, -0.0005513100000000, -0.0012035800000000 ] - [ -0.0029736000000000, -0.0038749900000000, -0.0004544900000000 ] - [ 0.0014632200000000, -0.0003447600000000, -0.0004267100000000 ] - [ 0.0000237000000000, 0.0012341000000000, 0.0000790200000000 ] - [ 0.0005176400000000, -0.0002135200000000, -0.0006508000000000 ] - [ 0.0029736000000000, 0.0038749900000000, -0.0004544900000000 ] - [ -0.0014632200000000, 0.0003447600000000, -0.0004267100000000 ] - [ -0.0000237000000000, -0.0012341000000000, 0.0000790200000000 ] - [ -0.0005176400000000, 0.0002135200000000, -0.0006508000000000 ] - [ 0.0003394700000000, -0.0003071100000000, -0.0039752800000000 ] - [ 0.0000284000000000, 0.0000687800000000, -0.0016329500000000 ] - [ 0.0004306200000000, 0.0007838100000000, -0.0013665400000000 ] - [ 0.0001634200000000, 0.0005513100000000, -0.0012035800000000 ] - [ -0.0000288700000000, -0.0003252200000000, 0.0185590900000000 ] - [ 0.0005514500000000, 0.0002879200000000, 0.0027359900000000 ] - [ 0.0002667900000000, 0.0005430900000000, 0.0027224900000000 ] - [ 0.0002160500000000, 0.0001855000000000, 0.0012527500000000 ] - [ -0.0003179200000000, 0.0003135000000000, -0.0042869800000000 ] - [ -0.0001305800000000, 0.0000614600000000, -0.0017371800000000 ] - [ -0.0000649100000000, 0.0001348400000000, -0.0017348100000000 ] - [ -0.0000624500000000, 0.0000661300000000, -0.0006715800000000 ] - [ 0.0000288700000000, 0.0003252200000000, 0.0185590900000000 ] - [ -0.0005514500000000, -0.0002879200000000, 0.0027359900000000 ] - [ -0.0002667900000000, -0.0005430900000000, 0.0027224900000000 ] - [ -0.0002160500000000, -0.0001855000000000, 0.0012527500000000 ] - [ 0.0003179200000000, -0.0003135000000000, -0.0042869800000000 ] - [ 0.0001305800000000, -0.0000614600000000, -0.0017371800000000 ] - [ 0.0000649100000000, -0.0001348400000000, -0.0017348100000000 ] - [ 0.0000624500000000, -0.0000661300000000, -0.0006715800000000 ] - [ -0.0009301900000000, 0.0003096800000000, 0.0037740700000000 ] - [ 0.0002134900000000, 0.0004144900000000, 0.0010345000000000 ] - [ -0.0004875600000000, 0.0007298400000000, 0.0012201600000000 ] - [ -0.0002347500000000, 0.0003904500000000, 0.0004652600000000 ] - [ -0.0102331800000000, 0.0082795400000000, 0.0052356900000000 ] - [ 0.0020999700000000, 0.0005616300000000, -0.0009664500000000 ] - [ 0.0004071800000000, 0.0000794800000000, -0.0005958600000000 ] - [ 0.0006275600000000, 0.0001209100000000, -0.0002715400000000 ] - [ 0.0024875400000000, -0.0001006400000000, -0.0021146600000000 ] - [ -0.0024875400000000, 0.0001006400000000, -0.0021146600000000 ] - [ 0.0002026000000000, -0.0001152000000000, 0.0010561400000000 ] - [ -0.0002026000000000, 0.0001152000000000, 0.0010561400000000 ] - [ -0.0000076100000000, -0.0000579700000000, 0.0027004800000000 ] - [ 0.0000076100000000, 0.0000579700000000, 0.0027004800000000 ] - [ 0.0000183800000000, -0.0000250400000000, 0.0020750900000000 ] - [ -0.0000183800000000, 0.0000250400000000, 0.0020750900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0469250100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009913100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009852900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003180800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014769300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005276600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005273800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002371900000000 ] - [ 0.0102331800000000, -0.0082795400000000, 0.0052356900000000 ] - [ -0.0020999700000000, -0.0005616300000000, -0.0009664500000000 ] - [ -0.0004071800000000, -0.0000794800000000, -0.0005958600000000 ] - [ -0.0006275600000000, -0.0001209100000000, -0.0002715400000000 ] - [ 0.0009301900000000, -0.0003096800000000, 0.0037740700000000 ] - [ -0.0002134900000000, -0.0004144900000000, 0.0010345000000000 ] - [ 0.0004875600000000, -0.0007298400000000, 0.0012201600000000 ] - [ 0.0002347500000000, -0.0003904500000000, 0.0004652600000000 ] - [ -0.0073900300000000, 0.0108897100000000, 0.0049310900000000 ] - [ 0.0007051300000000, 0.0003846000000000, -0.0008533300000000 ] - [ 0.0002251600000000, -0.0012947600000000, -0.0012178500000000 ] - [ 0.0006717900000000, 0.0001610200000000, -0.0005225300000000 ] - [ -0.0004804500000000, -0.0001435300000000, 0.0035200700000000 ] - [ -0.0000574800000000, 0.0003009200000000, 0.0009533300000000 ] - [ -0.0003763500000000, 0.0010082300000000, 0.0007644200000000 ] - [ -0.0003982500000000, 0.0005576500000000, 0.0001960500000000 ] - [ 0.0000075900000000, -0.0000127800000000, 0.0006759500000000 ] - [ -0.0000442300000000, -0.0000464900000000, 0.0006759600000000 ] - [ 0.0000442300000000, 0.0000464900000000, 0.0006759600000000 ] - [ -0.0000075900000000, 0.0000127800000000, 0.0006759500000000 ] - [ 0.0000600800000000, 0.0000026500000000, -0.0007029200000000 ] - [ 0.0000255200000000, -0.0000206400000000, -0.0013274100000000 ] - [ -0.0000600800000000, -0.0000026500000000, -0.0007029200000000 ] - [ -0.0000255200000000, 0.0000206400000000, -0.0013274100000000 ] - [ 0.0001019200000000, -0.0001042600000000, -0.0014903000000000 ] - [ -0.0002052200000000, -0.0000647800000000, 0.0001175600000000 ] - [ 0.0002052200000000, 0.0000647800000000, 0.0001175600000000 ] - [ -0.0001019200000000, 0.0001042600000000, -0.0014903000000000 ] - [ 0.0001260000000000, -0.0024121600000000, -0.0055405300000000 ] - [ 0.0001060800000000, -0.0002067900000000, -0.0023502600000000 ] - [ -0.0001260000000000, 0.0024121600000000, -0.0055405300000000 ] - [ -0.0001060800000000, 0.0002067900000000, -0.0023502600000000 ] - [ 0.0073900300000000, -0.0108897100000000, 0.0049310900000000 ] - [ -0.0007051300000000, -0.0003846000000000, -0.0008533300000000 ] - [ -0.0002251600000000, 0.0012947600000000, -0.0012178500000000 ] - [ -0.0006717900000000, -0.0001610200000000, -0.0005225300000000 ] - [ 0.0004804500000000, 0.0001435300000000, 0.0035200700000000 ] - [ 0.0000574800000000, -0.0003009200000000, 0.0009533300000000 ] - [ 0.0003763500000000, -0.0010082300000000, 0.0007644200000000 ] - [ 0.0003982500000000, -0.0005576500000000, 0.0001960500000000 ]