# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/f97edf8c-8fcc-4b78-b57a-efa67c6c88df/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 YbCl2 / Pbca (61) / materials id 23220](https://mdr.nims.go.jp/datasets/310ef017-a81a-44c0-bb77-f89a8215f050) ## 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: "Pbca" number: 61 Hall_symbol: "-P 2ac 2ab"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 6.459212700000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 12.649522520000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.718453500000000 ] # c points: - symbol: Cl # 1 coordinates: [ 0.998090560000000, 0.030154820000000, 0.235855870000000 ] mass: 35.453000 - symbol: Cl # 2 coordinates: [ 0.498090560000000, 0.469845180000000, 0.764144130000000 ] mass: 35.453000 - symbol: Cl # 3 coordinates: [ 0.501909440000000, 0.969845180000000, 0.735855870000000 ] mass: 35.453000 - symbol: Cl # 4 coordinates: [ 0.001909440000000, 0.530154820000000, 0.264144130000000 ] mass: 35.453000 - symbol: Cl # 5 coordinates: [ 0.001909440000000, 0.969845180000000, 0.764144130000000 ] mass: 35.453000 - symbol: Cl # 6 coordinates: [ 0.501909440000000, 0.530154820000000, 0.235855870000000 ] mass: 35.453000 - symbol: Cl # 7 coordinates: [ 0.498090560000000, 0.030154820000000, 0.264144130000000 ] mass: 35.453000 - symbol: Cl # 8 coordinates: [ 0.998090560000000, 0.469845180000000, 0.735855870000000 ] mass: 35.453000 - symbol: Cl # 9 coordinates: [ 0.852779110000000, 0.705294960000000, 0.886265810000000 ] mass: 35.453000 - symbol: Cl # 10 coordinates: [ 0.352779110000000, 0.794705040000000, 0.113734190000000 ] mass: 35.453000 - symbol: Cl # 11 coordinates: [ 0.647220890000000, 0.294705040000000, 0.386265810000000 ] mass: 35.453000 - symbol: Cl # 12 coordinates: [ 0.147220890000000, 0.205294960000000, 0.613734190000000 ] mass: 35.453000 - symbol: Cl # 13 coordinates: [ 0.147220890000000, 0.294705040000000, 0.113734190000000 ] mass: 35.453000 - symbol: Cl # 14 coordinates: [ 0.647220890000000, 0.205294960000000, 0.886265810000000 ] mass: 35.453000 - symbol: Cl # 15 coordinates: [ 0.352779110000000, 0.705294960000000, 0.613734190000000 ] mass: 35.453000 - symbol: Cl # 16 coordinates: [ 0.852779110000000, 0.794705040000000, 0.386265810000000 ] mass: 35.453000 - symbol: Yb # 17 coordinates: [ 0.731517490000000, 0.889106610000000, 0.046547120000000 ] mass: 173.054000 - symbol: Yb # 18 coordinates: [ 0.231517490000000, 0.610893390000000, 0.953452880000000 ] mass: 173.054000 - symbol: Yb # 19 coordinates: [ 0.768482510000000, 0.110893390000000, 0.546547120000000 ] mass: 173.054000 - symbol: Yb # 20 coordinates: [ 0.268482510000000, 0.389106610000000, 0.453452880000000 ] mass: 173.054000 - symbol: Yb # 21 coordinates: [ 0.268482510000000, 0.110893390000000, 0.953452880000000 ] mass: 173.054000 - symbol: Yb # 22 coordinates: [ 0.768482510000000, 0.389106610000000, 0.046547120000000 ] mass: 173.054000 - symbol: Yb # 23 coordinates: [ 0.231517490000000, 0.889106610000000, 0.453452880000000 ] mass: 173.054000 - symbol: Yb # 24 coordinates: [ 0.731517490000000, 0.610893390000000, 0.546547120000000 ] mass: 173.054000 reciprocal_lattice: # without 2pi - [ 0.154817629708958, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.079054367342239, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.148843777812855 ] # c*unit_cell: lattice: - [ 6.459212700000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 12.649522520000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.718453500000000 ] # c points: - symbol: Cl # 1 coordinates: [ 0.998090560000000, 0.030154820000000, 0.235855870000000 ] mass: 35.453000 reduced_to: 1 - symbol: Cl # 2 coordinates: [ 0.498090560000000, 0.469845180000000, 0.764144130000000 ] mass: 35.453000 reduced_to: 2 - symbol: Cl # 3 coordinates: [ 0.501909440000000, 0.969845180000000, 0.735855870000000 ] mass: 35.453000 reduced_to: 3 - symbol: Cl # 4 coordinates: [ 0.001909440000000, 0.530154820000000, 0.264144130000000 ] mass: 35.453000 reduced_to: 4 - symbol: Cl # 5 coordinates: [ 0.001909440000000, 0.969845180000000, 0.764144130000000 ] mass: 35.453000 reduced_to: 5 - symbol: Cl # 6 coordinates: [ 0.501909440000000, 0.530154820000000, 0.235855870000000 ] mass: 35.453000 reduced_to: 6 - symbol: Cl # 7 coordinates: [ 0.498090560000000, 0.030154820000000, 0.264144130000000 ] mass: 35.453000 reduced_to: 7 - symbol: Cl # 8 coordinates: [ 0.998090560000000, 0.469845180000000, 0.735855870000000 ] mass: 35.453000 reduced_to: 8 - symbol: Cl # 9 coordinates: [ 0.852779110000000, 0.705294960000000, 0.886265810000000 ] mass: 35.453000 reduced_to: 9 - symbol: Cl # 10 coordinates: [ 0.352779110000000, 0.794705040000000, 0.113734190000000 ] mass: 35.453000 reduced_to: 10 - symbol: Cl # 11 coordinates: [ 0.647220890000000, 0.294705040000000, 0.386265810000000 ] mass: 35.453000 reduced_to: 11 - symbol: Cl # 12 coordinates: [ 0.147220890000000, 0.205294960000000, 0.613734190000000 ] mass: 35.453000 reduced_to: 12 - symbol: Cl # 13 coordinates: [ 0.147220890000000, 0.294705040000000, 0.113734190000000 ] mass: 35.453000 reduced_to: 13 - symbol: Cl # 14 coordinates: [ 0.647220890000000, 0.205294960000000, 0.886265810000000 ] mass: 35.453000 reduced_to: 14 - symbol: Cl # 15 coordinates: [ 0.352779110000000, 0.705294960000000, 0.613734190000000 ] mass: 35.453000 reduced_to: 15 - symbol: Cl # 16 coordinates: [ 0.852779110000000, 0.794705040000000, 0.386265810000000 ] mass: 35.453000 reduced_to: 16 - symbol: Yb # 17 coordinates: [ 0.731517490000000, 0.889106610000000, 0.046547120000000 ] mass: 173.054000 reduced_to: 17 - symbol: Yb # 18 coordinates: [ 0.231517490000000, 0.610893390000000, 0.953452880000000 ] mass: 173.054000 reduced_to: 18 - symbol: Yb # 19 coordinates: [ 0.768482510000000, 0.110893390000000, 0.546547120000000 ] mass: 173.054000 reduced_to: 19 - symbol: Yb # 20 coordinates: [ 0.268482510000000, 0.389106610000000, 0.453452880000000 ] mass: 173.054000 reduced_to: 20 - symbol: Yb # 21 coordinates: [ 0.268482510000000, 0.110893390000000, 0.953452880000000 ] mass: 173.054000 reduced_to: 21 - symbol: Yb # 22 coordinates: [ 0.768482510000000, 0.389106610000000, 0.046547120000000 ] mass: 173.054000 reduced_to: 22 - symbol: Yb # 23 coordinates: [ 0.231517490000000, 0.889106610000000, 0.453452880000000 ] mass: 173.054000 reduced_to: 23 - symbol: Yb # 24 coordinates: [ 0.731517490000000, 0.610893390000000, 0.546547120000000 ] mass: 173.054000 reduced_to: 24supercell: lattice: - [ 12.918425400000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 12.649522520000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.436907000000000 ] # c points: - symbol: Cl # 1 coordinates: [ 0.499045280000000, 0.030154820000000, 0.117927935000000 ] mass: 35.453000 reduced_to: 1 - symbol: Cl # 2 coordinates: [ 0.999045280000000, 0.030154820000000, 0.117927935000000 ] mass: 35.453000 reduced_to: 1 - symbol: Cl # 3 coordinates: [ 0.499045280000000, 0.030154820000000, 0.617927935000000 ] mass: 35.453000 reduced_to: 1 - symbol: Cl # 4 coordinates: [ 0.999045280000000, 0.030154820000000, 0.617927935000000 ] mass: 35.453000 reduced_to: 1 - symbol: Cl # 5 coordinates: [ 0.249045280000000, 0.469845180000000, 0.382072065000000 ] mass: 35.453000 reduced_to: 5 - symbol: Cl # 6 coordinates: [ 0.749045280000000, 0.469845180000000, 0.382072065000000 ] mass: 35.453000 reduced_to: 5 - symbol: Cl # 7 coordinates: [ 0.249045280000000, 0.469845180000000, 0.882072065000000 ] mass: 35.453000 reduced_to: 5 - symbol: Cl # 8 coordinates: [ 0.749045280000000, 0.469845180000000, 0.882072065000000 ] mass: 35.453000 reduced_to: 5 - symbol: Cl # 9 coordinates: [ 0.250954720000000, 0.969845180000000, 0.367927935000000 ] mass: 35.453000 reduced_to: 9 - symbol: Cl # 10 coordinates: [ 0.750954720000000, 0.969845180000000, 0.367927935000000 ] mass: 35.453000 reduced_to: 9 - symbol: Cl # 11 coordinates: [ 0.250954720000000, 0.969845180000000, 0.867927935000000 ] mass: 35.453000 reduced_to: 9 - symbol: Cl # 12 coordinates: [ 0.750954720000000, 0.969845180000000, 0.867927935000000 ] mass: 35.453000 reduced_to: 9 - symbol: Cl # 13 coordinates: [ 0.000954720000000, 0.530154820000000, 0.132072065000000 ] mass: 35.453000 reduced_to: 13 - symbol: Cl # 14 coordinates: [ 0.500954720000000, 0.530154820000000, 0.132072065000000 ] mass: 35.453000 reduced_to: 13 - symbol: Cl # 15 coordinates: [ 0.000954720000000, 0.530154820000000, 0.632072065000000 ] mass: 35.453000 reduced_to: 13 - symbol: Cl # 16 coordinates: [ 0.500954720000000, 0.530154820000000, 0.632072065000000 ] mass: 35.453000 reduced_to: 13 - symbol: Cl # 17 coordinates: [ 0.000954720000000, 0.969845180000000, 0.382072065000000 ] mass: 35.453000 reduced_to: 17 - symbol: Cl # 18 coordinates: [ 0.500954720000000, 0.969845180000000, 0.382072065000000 ] mass: 35.453000 reduced_to: 17 - symbol: Cl # 19 coordinates: [ 0.000954720000000, 0.969845180000000, 0.882072065000000 ] mass: 35.453000 reduced_to: 17 - symbol: Cl # 20 coordinates: [ 0.500954720000000, 0.969845180000000, 0.882072065000000 ] mass: 35.453000 reduced_to: 17 - symbol: Cl # 21 coordinates: [ 0.250954720000000, 0.530154820000000, 0.117927935000000 ] mass: 35.453000 reduced_to: 21 - symbol: Cl # 22 coordinates: [ 0.750954720000000, 0.530154820000000, 0.117927935000000 ] mass: 35.453000 reduced_to: 21 - symbol: Cl # 23 coordinates: [ 0.250954720000000, 0.530154820000000, 0.617927935000000 ] mass: 35.453000 reduced_to: 21 - symbol: Cl # 24 coordinates: [ 0.750954720000000, 0.530154820000000, 0.617927935000000 ] mass: 35.453000 reduced_to: 21 - symbol: Cl # 25 coordinates: [ 0.249045280000000, 0.030154820000000, 0.132072065000000 ] mass: 35.453000 reduced_to: 25 - symbol: Cl # 26 coordinates: [ 0.749045280000000, 0.030154820000000, 0.132072065000000 ] mass: 35.453000 reduced_to: 25 - symbol: Cl # 27 coordinates: [ 0.249045280000000, 0.030154820000000, 0.632072065000000 ] mass: 35.453000 reduced_to: 25 - symbol: Cl # 28 coordinates: [ 0.749045280000000, 0.030154820000000, 0.632072065000000 ] mass: 35.453000 reduced_to: 25 - symbol: Cl # 29 coordinates: [ 0.499045280000000, 0.469845180000000, 0.367927935000000 ] mass: 35.453000 reduced_to: 29 - symbol: Cl # 30 coordinates: [ 0.999045280000000, 0.469845180000000, 0.367927935000000 ] mass: 35.453000 reduced_to: 29 - symbol: Cl # 31 coordinates: [ 0.499045280000000, 0.469845180000000, 0.867927935000000 ] mass: 35.453000 reduced_to: 29 - symbol: Cl # 32 coordinates: [ 0.999045280000000, 0.469845180000000, 0.867927935000000 ] mass: 35.453000 reduced_to: 29 - symbol: Cl # 33 coordinates: [ 0.426389555000000, 0.705294960000000, 0.443132905000000 ] mass: 35.453000 reduced_to: 33 - symbol: Cl # 34 coordinates: [ 0.926389555000000, 0.705294960000000, 0.443132905000000 ] mass: 35.453000 reduced_to: 33 - symbol: Cl # 35 coordinates: [ 0.426389555000000, 0.705294960000000, 0.943132905000000 ] mass: 35.453000 reduced_to: 33 - symbol: Cl # 36 coordinates: [ 0.926389555000000, 0.705294960000000, 0.943132905000000 ] mass: 35.453000 reduced_to: 33 - symbol: Cl # 37 coordinates: [ 0.176389555000000, 0.794705040000000, 0.056867095000000 ] mass: 35.453000 reduced_to: 37 - symbol: Cl # 38 coordinates: [ 0.676389555000000, 0.794705040000000, 0.056867095000000 ] mass: 35.453000 reduced_to: 37 - symbol: Cl # 39 coordinates: [ 0.176389555000000, 0.794705040000000, 0.556867095000000 ] mass: 35.453000 reduced_to: 37 - symbol: Cl # 40 coordinates: [ 0.676389555000000, 0.794705040000000, 0.556867095000000 ] mass: 35.453000 reduced_to: 37 - symbol: Cl # 41 coordinates: [ 0.323610445000000, 0.294705040000000, 0.193132905000000 ] mass: 35.453000 reduced_to: 41 - symbol: Cl # 42 coordinates: [ 0.823610445000000, 0.294705040000000, 0.193132905000000 ] mass: 35.453000 reduced_to: 41 - symbol: Cl # 43 coordinates: [ 0.323610445000000, 0.294705040000000, 0.693132905000000 ] mass: 35.453000 reduced_to: 41 - symbol: Cl # 44 coordinates: [ 0.823610445000000, 0.294705040000000, 0.693132905000000 ] mass: 35.453000 reduced_to: 41 - symbol: Cl # 45 coordinates: [ 0.073610445000000, 0.205294960000000, 0.306867095000000 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 46 coordinates: [ 0.573610445000000, 0.205294960000000, 0.306867095000000 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 47 coordinates: [ 0.073610445000000, 0.205294960000000, 0.806867095000000 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 48 coordinates: [ 0.573610445000000, 0.205294960000000, 0.806867095000000 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 49 coordinates: [ 0.073610445000000, 0.294705040000000, 0.056867095000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 50 coordinates: [ 0.573610445000000, 0.294705040000000, 0.056867095000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 51 coordinates: [ 0.073610445000000, 0.294705040000000, 0.556867095000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 52 coordinates: [ 0.573610445000000, 0.294705040000000, 0.556867095000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 53 coordinates: [ 0.323610445000000, 0.205294960000000, 0.443132905000000 ] mass: 35.453000 reduced_to: 53 - symbol: Cl # 54 coordinates: [ 0.823610445000000, 0.205294960000000, 0.443132905000000 ] mass: 35.453000 reduced_to: 53 - symbol: Cl # 55 coordinates: [ 0.323610445000000, 0.205294960000000, 0.943132905000000 ] mass: 35.453000 reduced_to: 53 - symbol: Cl # 56 coordinates: [ 0.823610445000000, 0.205294960000000, 0.943132905000000 ] mass: 35.453000 reduced_to: 53 - symbol: Cl # 57 coordinates: [ 0.176389555000000, 0.705294960000000, 0.306867095000000 ] mass: 35.453000 reduced_to: 57 - symbol: Cl # 58 coordinates: [ 0.676389555000000, 0.705294960000000, 0.306867095000000 ] mass: 35.453000 reduced_to: 57 - symbol: Cl # 59 coordinates: [ 0.176389555000000, 0.705294960000000, 0.806867095000000 ] mass: 35.453000 reduced_to: 57 - symbol: Cl # 60 coordinates: [ 0.676389555000000, 0.705294960000000, 0.806867095000000 ] mass: 35.453000 reduced_to: 57 - symbol: Cl # 61 coordinates: [ 0.426389555000000, 0.794705040000000, 0.193132905000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 62 coordinates: [ 0.926389555000000, 0.794705040000000, 0.193132905000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 63 coordinates: [ 0.426389555000000, 0.794705040000000, 0.693132905000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 64 coordinates: [ 0.926389555000000, 0.794705040000000, 0.693132905000000 ] mass: 35.453000 reduced_to: 61 - symbol: Yb # 65 coordinates: [ 0.365758745000000, 0.889106610000000, 0.023273560000000 ] mass: 173.054000 reduced_to: 65 - symbol: Yb # 66 coordinates: [ 0.865758745000000, 0.889106610000000, 0.023273560000000 ] mass: 173.054000 reduced_to: 65 - symbol: Yb # 67 coordinates: [ 0.365758745000000, 0.889106610000000, 0.523273560000000 ] mass: 173.054000 reduced_to: 65 - symbol: Yb # 68 coordinates: [ 0.865758745000000, 0.889106610000000, 0.523273560000000 ] mass: 173.054000 reduced_to: 65 - symbol: Yb # 69 coordinates: [ 0.115758745000000, 0.610893390000000, 0.476726440000000 ] mass: 173.054000 reduced_to: 69 - symbol: Yb # 70 coordinates: [ 0.615758745000000, 0.610893390000000, 0.476726440000000 ] mass: 173.054000 reduced_to: 69 - symbol: Yb # 71 coordinates: [ 0.115758745000000, 0.610893390000000, 0.976726440000000 ] mass: 173.054000 reduced_to: 69 - symbol: Yb # 72 coordinates: [ 0.615758745000000, 0.610893390000000, 0.976726440000000 ] mass: 173.054000 reduced_to: 69 - symbol: Yb # 73 coordinates: [ 0.384241255000000, 0.110893390000000, 0.273273560000000 ] mass: 173.054000 reduced_to: 73 - symbol: Yb # 74 coordinates: [ 0.884241255000000, 0.110893390000000, 0.273273560000000 ] mass: 173.054000 reduced_to: 73 - symbol: Yb # 75 coordinates: [ 0.384241255000000, 0.110893390000000, 0.773273560000000 ] mass: 173.054000 reduced_to: 73 - symbol: Yb # 76 coordinates: [ 0.884241255000000, 0.110893390000000, 0.773273560000000 ] mass: 173.054000 reduced_to: 73 - symbol: Yb # 77 coordinates: [ 0.134241255000000, 0.389106610000000, 0.226726440000000 ] mass: 173.054000 reduced_to: 77 - symbol: Yb # 78 coordinates: [ 0.634241255000000, 0.389106610000000, 0.226726440000000 ] mass: 173.054000 reduced_to: 77 - symbol: Yb # 79 coordinates: [ 0.134241255000000, 0.389106610000000, 0.726726440000000 ] mass: 173.054000 reduced_to: 77 - symbol: Yb # 80 coordinates: [ 0.634241255000000, 0.389106610000000, 0.726726440000000 ] mass: 173.054000 reduced_to: 77 - symbol: Yb # 81 coordinates: [ 0.134241255000000, 0.110893390000000, 0.476726440000000 ] mass: 173.054000 reduced_to: 81 - symbol: Yb # 82 coordinates: [ 0.634241255000000, 0.110893390000000, 0.476726440000000 ] mass: 173.054000 reduced_to: 81 - symbol: Yb # 83 coordinates: [ 0.134241255000000, 0.110893390000000, 0.976726440000000 ] mass: 173.054000 reduced_to: 81 - symbol: Yb # 84 coordinates: [ 0.634241255000000, 0.110893390000000, 0.976726440000000 ] mass: 173.054000 reduced_to: 81 - symbol: Yb # 85 coordinates: [ 0.384241255000000, 0.389106610000000, 0.023273560000000 ] mass: 173.054000 reduced_to: 85 - symbol: Yb # 86 coordinates: [ 0.884241255000000, 0.389106610000000, 0.023273560000000 ] mass: 173.054000 reduced_to: 85 - symbol: Yb # 87 coordinates: [ 0.384241255000000, 0.389106610000000, 0.523273560000000 ] mass: 173.054000 reduced_to: 85 - symbol: Yb # 88 coordinates: [ 0.884241255000000, 0.389106610000000, 0.523273560000000 ] mass: 173.054000 reduced_to: 85 - symbol: Yb # 89 coordinates: [ 0.115758745000000, 0.889106610000000, 0.226726440000000 ] mass: 173.054000 reduced_to: 89 - symbol: Yb # 90 coordinates: [ 0.615758745000000, 0.889106610000000, 0.226726440000000 ] mass: 173.054000 reduced_to: 89 - symbol: Yb # 91 coordinates: [ 0.115758745000000, 0.889106610000000, 0.726726440000000 ] mass: 173.054000 reduced_to: 89 - symbol: Yb # 92 coordinates: [ 0.615758745000000, 0.889106610000000, 0.726726440000000 ] mass: 173.054000 reduced_to: 89 - symbol: Yb # 93 coordinates: [ 0.365758745000000, 0.610893390000000, 0.273273560000000 ] mass: 173.054000 reduced_to: 93 - symbol: Yb # 94 coordinates: [ 0.865758745000000, 0.610893390000000, 0.273273560000000 ] mass: 173.054000 reduced_to: 93 - symbol: Yb # 95 coordinates: [ 0.365758745000000, 0.610893390000000, 0.773273560000000 ] mass: 173.054000 reduced_to: 93 - symbol: Yb # 96 coordinates: [ 0.865758745000000, 0.610893390000000, 0.773273560000000 ] mass: 173.054000 reduced_to: 93born_effective_charge:- # 1 (Cl) - [ -1.259957290000000, -0.020694940000000, 0.152217780000000 ] - [ -0.025410450000000, -1.084353260000000, 0.026066470000000 ] - [ 0.137876580000000, 0.016933420000000, -1.353587640000000 ]- # 2 (Cl) - [ -1.259957290000000, 0.020694940000000, -0.152217780000000 ] - [ 0.025410450000000, -1.084353260000000, 0.026066470000000 ] - [ -0.137876580000000, 0.016933420000000, -1.353587640000000 ]- # 3 (Cl) - [ -1.259957290000000, -0.020694940000000, -0.152217780000000 ] - [ -0.025410450000000, -1.084353260000000, -0.026066470000000 ] - [ -0.137876580000000, -0.016933420000000, -1.353587640000000 ]- # 4 (Cl) - [ -1.259957290000000, 0.020694940000000, 0.152217780000000 ] - [ 0.025410450000000, -1.084353260000000, -0.026066470000000 ] - [ 0.137876580000000, -0.016933420000000, -1.353587640000000 ]- # 5 (Cl) - [ -1.259957290000000, -0.020694940000000, 0.152217780000000 ] - [ -0.025410450000000, -1.084353260000000, 0.026066470000000 ] - [ 0.137876580000000, 0.016933420000000, -1.353587640000000 ]- # 6 (Cl) - [ -1.259957290000000, 0.020694940000000, -0.152217780000000 ] - [ 0.025410450000000, -1.084353260000000, 0.026066470000000 ] - [ -0.137876580000000, 0.016933420000000, -1.353587640000000 ]- # 7 (Cl) - [ -1.259957290000000, -0.020694940000000, -0.152217780000000 ] - [ -0.025410450000000, -1.084353260000000, -0.026066470000000 ] - [ -0.137876580000000, -0.016933420000000, -1.353587640000000 ]- # 8 (Cl) - [ -1.259957290000000, 0.020694940000000, 0.152217780000000 ] - [ 0.025410450000000, -1.084353260000000, -0.026066470000000 ] - [ 0.137876580000000, -0.016933420000000, -1.353587640000000 ]- # 9 (Cl) - [ -1.185377320000000, 0.242403650000000, -0.136305020000000 ] - [ 0.262396270000000, -1.370179070000000, -0.348828060000000 ] - [ -0.140909180000000, -0.369473540000000, -1.161985540000000 ]- # 10 (Cl) - [ -1.185377320000000, -0.242403650000000, 0.136305020000000 ] - [ -0.262396270000000, -1.370179070000000, -0.348828060000000 ] - [ 0.140909180000000, -0.369473540000000, -1.161985540000000 ]- # 11 (Cl) - [ -1.185377320000000, 0.242403650000000, 0.136305020000000 ] - [ 0.262396270000000, -1.370179070000000, 0.348828060000000 ] - [ 0.140909180000000, 0.369473540000000, -1.161985540000000 ]- # 12 (Cl) - [ -1.185377320000000, -0.242403650000000, -0.136305020000000 ] - [ -0.262396270000000, -1.370179070000000, 0.348828060000000 ] - [ -0.140909180000000, 0.369473540000000, -1.161985540000000 ]- # 13 (Cl) - [ -1.185377320000000, 0.242403650000000, -0.136305020000000 ] - [ 0.262396270000000, -1.370179070000000, -0.348828060000000 ] - [ -0.140909180000000, -0.369473540000000, -1.161985540000000 ]- # 14 (Cl) - [ -1.185377320000000, -0.242403650000000, 0.136305020000000 ] - [ -0.262396270000000, -1.370179070000000, -0.348828060000000 ] - [ 0.140909180000000, -0.369473540000000, -1.161985540000000 ]- # 15 (Cl) - [ -1.185377320000000, 0.242403650000000, 0.136305020000000 ] - [ 0.262396270000000, -1.370179070000000, 0.348828060000000 ] - [ 0.140909180000000, 0.369473540000000, -1.161985540000000 ]- # 16 (Cl) - [ -1.185377320000000, -0.242403650000000, -0.136305020000000 ] - [ -0.262396270000000, -1.370179070000000, 0.348828060000000 ] - [ -0.140909180000000, 0.369473540000000, -1.161985540000000 ]- # 17 (Yb) - [ 2.445334600000000, -0.063868050000000, 0.000421230000000 ] - [ -0.011263910000000, 2.454532330000000, -0.095718070000000 ] - [ -0.032484900000000, -0.003153070000000, 2.515573180000000 ]- # 18 (Yb) - [ 2.445334600000000, 0.063868050000000, -0.000421230000000 ] - [ 0.011263910000000, 2.454532330000000, -0.095718070000000 ] - [ 0.032484900000000, -0.003153070000000, 2.515573180000000 ]- # 19 (Yb) - [ 2.445334600000000, -0.063868050000000, -0.000421230000000 ] - [ -0.011263910000000, 2.454532330000000, 0.095718070000000 ] - [ 0.032484900000000, 0.003153070000000, 2.515573180000000 ]- # 20 (Yb) - [ 2.445334600000000, 0.063868050000000, 0.000421230000000 ] - [ 0.011263910000000, 2.454532330000000, 0.095718070000000 ] - [ -0.032484900000000, 0.003153070000000, 2.515573180000000 ]- # 21 (Yb) - [ 2.445334600000000, -0.063868050000000, 0.000421230000000 ] - [ -0.011263910000000, 2.454532330000000, -0.095718070000000 ] - [ -0.032484900000000, -0.003153070000000, 2.515573180000000 ]- # 22 (Yb) - [ 2.445334600000000, 0.063868050000000, -0.000421230000000 ] - [ 0.011263910000000, 2.454532330000000, -0.095718070000000 ] - [ 0.032484900000000, -0.003153070000000, 2.515573180000000 ]- # 23 (Yb) - [ 2.445334600000000, -0.063868050000000, -0.000421230000000 ] - [ -0.011263910000000, 2.454532330000000, 0.095718070000000 ] - [ 0.032484900000000, 0.003153070000000, 2.515573180000000 ]- # 24 (Yb) - [ 2.445334600000000, 0.063868050000000, 0.000421230000000 ] - [ 0.011263910000000, 2.454532330000000, 0.095718070000000 ] - [ -0.032484900000000, 0.003153070000000, 2.515573180000000 ]dielectric_constant: - [ 3.330691440000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.324358710000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.348039900000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0552629100000000, 0.0025088700000000, 0.0063288100000000 ] - [ 0.0008216400000000, 0.0059708700000000, -0.0000788900000000 ] - [ -0.0014044800000000, 0.0059757800000000, -0.0000535300000000 ] - [ -0.0010399400000000, 0.0059866200000000, -0.0000596000000000 ] - [ -0.0011668400000000, -0.0060061500000000, -0.0001402500000000 ] - [ -0.0011681200000000, -0.0061025800000000, 0.0001210000000000 ] - [ -0.0012211800000000, -0.0059986500000000, 0.0000388500000000 ] - [ -0.0012216900000000, -0.0059238200000000, -0.0000745200000000 ] - [ 0.0014532400000000, -0.0057059300000000, -0.0005489600000000 ] - [ 0.0014738500000000, -0.0058086800000000, 0.0006853000000000 ] - [ 0.0014521600000000, -0.0061893700000000, 0.0006776100000000 ] - [ 0.0014748000000000, -0.0063201200000000, -0.0005437000000000 ] - [ 0.0014760300000000, 0.0059735800000000, -0.0000375400000000 ] - [ 0.0009054100000000, 0.0061667500000000, 0.0000867200000000 ] - [ 0.0013488900000000, 0.0059770300000000, -0.0000403700000000 ] - [ 0.0010710100000000, 0.0059677800000000, -0.0000123300000000 ] - [ 0.0016603900000000, -0.0060522600000000, -0.0000681600000000 ] - [ 0.0002204600000000, -0.0057092700000000, -0.0000823500000000 ] - [ 0.0016488800000000, -0.0059306500000000, -0.0000767300000000 ] - [ -0.0005099300000000, -0.0059947800000000, -0.0004316500000000 ] - [ 0.0012965300000000, 0.0059696100000000, 0.0000924100000000 ] - [ 0.0012509100000000, 0.0059154600000000, -0.0000063700000000 ] - [ 0.0012518600000000, 0.0059805600000000, 0.0000049700000000 ] - [ 0.0012562300000000, 0.0059899200000000, 0.0000060200000000 ] - [ 0.0116351200000000, 0.0065016300000000, -0.0006399000000000 ] - [ 0.0119619900000000, 0.0055828600000000, 0.0012543500000000 ] - [ -0.0012381000000000, 0.0060048800000000, -0.0000424000000000 ] - [ -0.0012394200000000, 0.0059844500000000, -0.0000772700000000 ] - [ -0.0014770200000000, -0.0059547600000000, 0.0000344900000000 ] - [ -0.0010534100000000, -0.0060179000000000, -0.0000108000000000 ] - [ -0.0014768100000000, -0.0058685900000000, 0.0000331800000000 ] - [ -0.0010536700000000, -0.0059618200000000, -0.0000031700000000 ] - [ 0.0003206600000000, -0.0018062900000000, 0.0003950000000000 ] - [ 0.0007079200000000, -0.0019215700000000, 0.0005642300000000 ] - [ -0.0002186800000000, -0.0010406600000000, 0.0009079200000000 ] - [ 0.0008559900000000, -0.0021309100000000, 0.0004181000000000 ] - [ 0.0013991500000000, 0.0024344100000000, -0.0006315300000000 ] - [ 0.0011116700000000, 0.0003347200000000, -0.0011261200000000 ] - [ 0.0005941400000000, 0.0019377600000000, -0.0005652000000000 ] - [ 0.0004503700000000, 0.0018597100000000, -0.0004422900000000 ] - [ -0.0003332500000000, 0.0010665500000000, 0.0007651200000000 ] - [ -0.0004009000000000, 0.0021271400000000, 0.0005503300000000 ] - [ -0.0005974800000000, 0.0018423500000000, 0.0004429800000000 ] - [ -0.0004538500000000, 0.0019444700000000, 0.0004118800000000 ] - [ -0.0000613900000000, -0.0018356500000000, -0.0005131000000000 ] - [ -0.0009867200000000, -0.0007739700000000, 0.0007556900000000 ] - [ -0.0002090000000000, -0.0019372100000000, -0.0003353200000000 ] - [ -0.0011963900000000, -0.0015084900000000, -0.0012731700000000 ] - [ -0.0001458400000000, 0.0017061400000000, -0.0004649900000000 ] - [ -0.0010731500000000, 0.0033192700000000, -0.0005020100000000 ] - [ -0.0003461100000000, 0.0017730900000000, -0.0005578500000000 ] - [ -0.0006966100000000, 0.0019553300000000, -0.0005403300000000 ] - [ -0.0001631800000000, -0.0028538000000000, -0.0010719300000000 ] - [ -0.0004702400000000, -0.0017236400000000, 0.0006502900000000 ] - [ -0.0003910500000000, -0.0023834800000000, 0.0010670200000000 ] - [ 0.0005205900000000, -0.0013290700000000, 0.0003632100000000 ] - [ 0.0006111500000000, -0.0016913100000000, -0.0006752600000000 ] - [ 0.0008553100000000, -0.0035173800000000, 0.0002742200000000 ] - [ 0.0005945000000000, -0.0018330000000000, -0.0004387300000000 ] - [ 0.0004513200000000, -0.0019401100000000, -0.0006025000000000 ] - [ 0.0000232100000000, 0.0058086900000000, -0.0009428700000000 ] - [ 0.0011149900000000, 0.0018168900000000, 0.0006723900000000 ] - [ 0.0003576900000000, 0.0018046600000000, 0.0004764500000000 ] - [ 0.0006779000000000, 0.0018842500000000, 0.0005342700000000 ] - [ 0.0062469500000000, 0.0053082300000000, 0.0006141100000000 ] - [ -0.0027197200000000, 0.0021244000000000, -0.0010022600000000 ] - [ -0.0007839300000000, 0.0010535500000000, -0.0014421300000000 ] - [ -0.0014936600000000, 0.0013157000000000, -0.0019592200000000 ] - [ -0.0014080000000000, -0.0012415000000000, 0.0018763000000000 ] - [ -0.0007286400000000, -0.0010603600000000, 0.0014221400000000 ] - [ -0.0016164700000000, -0.0015581800000000, 0.0015294200000000 ] - [ -0.0003703200000000, -0.0008096400000000, 0.0020883500000000 ] - [ 0.0082646800000000, -0.0034566700000000, -0.0068890000000000 ] - [ -0.0002776700000000, -0.0018420600000000, -0.0028634700000000 ] - [ 0.0019181000000000, -0.0011939900000000, -0.0020160500000000 ] - [ 0.0005462100000000, -0.0012045200000000, -0.0013275800000000 ] - [ 0.0005729600000000, 0.0014246900000000, 0.0018093100000000 ] - [ 0.0014015100000000, 0.0009393800000000, 0.0015435600000000 ] - [ 0.0009497500000000, 0.0012582100000000, 0.0017499900000000 ] - [ 0.0012162200000000, 0.0009386100000000, 0.0019249600000000 ] - [ 0.0004819300000000, -0.0011981100000000, 0.0020255700000000 ] - [ 0.0015350400000000, -0.0012633300000000, 0.0015324100000000 ] - [ -0.0002458300000000, -0.0005775600000000, 0.0006025200000000 ] - [ 0.0087639200000000, 0.0013370400000000, -0.0036402900000000 ] - [ 0.0018694900000000, 0.0015031600000000, -0.0019805900000000 ] - [ 0.0006201700000000, 0.0008373600000000, -0.0018032600000000 ] - [ 0.0015411900000000, 0.0015865800000000, -0.0015551100000000 ] - [ 0.0008393600000000, 0.0011515300000000, -0.0017948200000000 ] - [ -0.0026390300000000, 0.0002917700000000, 0.0025321900000000 ] - [ 0.0067656200000000, -0.0032846100000000, 0.0053748700000000 ] - [ -0.0015618400000000, 0.0011391700000000, 0.0016223000000000 ] - [ -0.0007332600000000, 0.0013433000000000, 0.0020130300000000 ] - [ -0.0010146400000000, -0.0016244700000000, -0.0014301000000000 ] - [ -0.0016562000000000, -0.0010200000000000, -0.0017999400000000 ] - [ -0.0010088600000000, -0.0013357100000000, -0.0019950700000000 ] - [ -0.0013036000000000, -0.0011821900000000, -0.0016632200000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0527837500000000, 0.0096386400000000, -0.0063301300000000 ] - [ -0.0032890200000000, 0.0059931200000000, 0.0001078800000000 ] - [ -0.0010627300000000, 0.0059867100000000, 0.0000826000000000 ] - [ -0.0014280300000000, 0.0059783100000000, 0.0000902300000000 ] - [ -0.0012998500000000, -0.0059578900000000, 0.0001093800000000 ] - [ -0.0013011000000000, -0.0058632000000000, -0.0001516900000000 ] - [ -0.0012462700000000, -0.0059662600000000, -0.0000691600000000 ] - [ -0.0012469100000000, -0.0060408700000000, 0.0000439000000000 ] - [ 0.0010190100000000, -0.0062578500000000, 0.0005794400000000 ] - [ 0.0009898000000000, -0.0061567600000000, -0.0006557200000000 ] - [ 0.0010177200000000, -0.0057750600000000, -0.0006468700000000 ] - [ 0.0009908800000000, -0.0056454200000000, 0.0005733600000000 ] - [ 0.0009916900000000, 0.0059916700000000, 0.0000072000000000 ] - [ 0.0015623200000000, 0.0057977000000000, -0.0001167100000000 ] - [ 0.0011190200000000, 0.0059879300000000, 0.0000096500000000 ] - [ 0.0013964700000000, 0.0059973600000000, -0.0000189500000000 ] - [ 0.0008073000000000, -0.0059130700000000, 0.0000398100000000 ] - [ 0.0022479700000000, -0.0062495100000000, 0.0000271000000000 ] - [ 0.0008190800000000, -0.0060347600000000, 0.0000437300000000 ] - [ 0.0029721100000000, -0.0059592000000000, 0.0004485900000000 ] - [ 0.0011724300000000, 0.0059957300000000, -0.0000609200000000 ] - [ 0.0012154700000000, 0.0060486300000000, 0.0000372700000000 ] - [ 0.0012161000000000, 0.0059847200000000, 0.0000253200000000 ] - [ 0.0012109800000000, 0.0059753100000000, 0.0000243100000000 ] - [ -0.0144288100000000, 0.0054549100000000, 0.0006311600000000 ] - [ -0.0141020400000000, 0.0063772600000000, -0.0012590100000000 ] - [ -0.0012288100000000, 0.0059597300000000, 0.0000115300000000 ] - [ -0.0012302000000000, 0.0059804100000000, 0.0000454700000000 ] - [ -0.0009910400000000, -0.0060101900000000, -0.0000042900000000 ] - [ -0.0014142100000000, -0.0059470400000000, 0.0000416900000000 ] - [ -0.0009909000000000, -0.0060968400000000, -0.0000020400000000 ] - [ -0.0014143900000000, -0.0060028800000000, 0.0000333100000000 ] - [ 0.0007224700000000, -0.0019417800000000, 0.0006279500000000 ] - [ 0.0003353800000000, -0.0018278200000000, 0.0004601700000000 ] - [ 0.0012670400000000, -0.0027117100000000, 0.0001157600000000 ] - [ 0.0001877500000000, -0.0016204000000000, 0.0006047400000000 ] - [ -0.0003521700000000, 0.0013160500000000, -0.0003932300000000 ] - [ -0.0000657200000000, 0.0034030300000000, 0.0001023600000000 ] - [ 0.0004504600000000, 0.0018113200000000, -0.0004591500000000 ] - [ 0.0005915400000000, 0.0018898900000000, -0.0005808600000000 ] - [ -0.0007083300000000, 0.0026813100000000, 0.0002592600000000 ] - [ -0.0006452100000000, 0.0016243800000000, 0.0004736500000000 ] - [ -0.0004461000000000, 0.0019067600000000, 0.0005809900000000 ] - [ -0.0005901600000000, 0.0018051500000000, 0.0006114200000000 ] - [ -0.0009809100000000, -0.0019118000000000, -0.0005097400000000 ] - [ -0.0000674900000000, -0.0029794000000000, -0.0017851700000000 ] - [ -0.0008345900000000, -0.0018105200000000, -0.0006901000000000 ] - [ 0.0001468100000000, -0.0022392800000000, 0.0002453000000000 ] - [ -0.0008974800000000, 0.0020452900000000, -0.0005584200000000 ] - [ 0.0000211400000000, 0.0004186800000000, -0.0005207100000000 ] - [ -0.0006975300000000, 0.0019765800000000, -0.0004659000000000 ] - [ -0.0003468300000000, 0.0017929400000000, -0.0004854100000000 ] - [ -0.0008828600000000, -0.0008913600000000, 0.0021025900000000 ] - [ -0.0005759800000000, -0.0020244300000000, 0.0003755500000000 ] - [ -0.0006544900000000, -0.0013599300000000, -0.0000474700000000 ] - [ -0.0015640400000000, -0.0024203800000000, 0.0006618400000000 ] - [ 0.0004350500000000, -0.0020599600000000, -0.0003477500000000 ] - [ 0.0001902900000000, -0.0002375200000000, -0.0012961100000000 ] - [ 0.0004492700000000, -0.0019161500000000, -0.0005856200000000 ] - [ 0.0005913100000000, -0.0018081000000000, -0.0004216700000000 ] - [ 0.0010445100000000, -0.0020443500000000, 0.0019564800000000 ] - [ -0.0000726000000000, 0.0019293400000000, 0.0003527400000000 ] - [ 0.0006864100000000, 0.0019464500000000, 0.0005473400000000 ] - [ 0.0003651900000000, 0.0018647600000000, 0.0004892900000000 ] - [ -0.0086974200000000, -0.0031341300000000, -0.0042997300000000 ] - [ 0.0004695100000000, 0.0003028000000000, -0.0025054800000000 ] - [ -0.0014722800000000, 0.0013609900000000, -0.0020711800000000 ] - [ -0.0007546400000000, 0.0011003600000000, -0.0015580600000000 ] - [ -0.0008434700000000, -0.0011742300000000, 0.0016401900000000 ] - [ -0.0015191900000000, -0.0013558400000000, 0.0020944500000000 ] - [ -0.0006347000000000, -0.0008561000000000, 0.0019872800000000 ] - [ -0.0018792100000000, -0.0016043300000000, 0.0014275600000000 ] - [ -0.0061400400000000, 0.0011608100000000, 0.0036154800000000 ] - [ 0.0025284900000000, -0.0005812200000000, -0.0006672200000000 ] - [ 0.0003280800000000, -0.0012176100000000, -0.0015012300000000 ] - [ 0.0017041200000000, -0.0012114800000000, -0.0021862700000000 ] - [ 0.0016748100000000, 0.0009894400000000, 0.0017065400000000 ] - [ 0.0008531000000000, 0.0014822400000000, 0.0019734200000000 ] - [ 0.0012992400000000, 0.0011568000000000, 0.0017672800000000 ] - [ 0.0010344800000000, 0.0014764900000000, 0.0015929400000000 ] - [ 0.0017669800000000, -0.0012168200000000, 0.0014900200000000 ] - [ 0.0007213500000000, -0.0011513400000000, 0.0019899000000000 ] - [ 0.0024939800000000, -0.0018447000000000, 0.0029264600000000 ] - [ -0.0063067200000000, -0.0036051900000000, 0.0068746600000000 ] - [ 0.0003769200000000, 0.0009142100000000, -0.0015376400000000 ] - [ 0.0016314200000000, 0.0015763400000000, -0.0017135200000000 ] - [ 0.0007067700000000, 0.0008281000000000, -0.0019606500000000 ] - [ 0.0014110800000000, 0.0012640500000000, -0.0017214600000000 ] - [ 0.0003867200000000, 0.0021361400000000, 0.0009746200000000 ] - [ -0.0088789800000000, 0.0054827800000000, -0.0016812500000000 ] - [ -0.0006894300000000, 0.0012777600000000, 0.0018964000000000 ] - [ -0.0015112200000000, 0.0010703800000000, 0.0015022400000000 ] - [ -0.0012389200000000, -0.0007974300000000, -0.0020843400000000 ] - [ -0.0005932400000000, -0.0013938500000000, -0.0017172600000000 ] - [ -0.0012421300000000, -0.0010804100000000, -0.0015197400000000 ] - [ -0.0009454000000000, -0.0012334000000000, -0.0018519700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0047954600000000, -0.0310665400000000, 0.0011412400000000 ] - [ -0.0012450700000000, 0.0058462900000000, 0.0000122000000000 ] - [ -0.0012393400000000, 0.0057120400000000, -0.0000098800000000 ] - [ -0.0012297500000000, 0.0058946500000000, 0.0000053800000000 ] - [ -0.0011146500000000, -0.0056264900000000, -0.0001216900000000 ] - [ -0.0012091100000000, -0.0056260100000000, 0.0000203200000000 ] - [ -0.0012925500000000, -0.0057585100000000, -0.0000627700000000 ] - [ -0.0012171000000000, -0.0057585100000000, -0.0000380500000000 ] - [ 0.0010268100000000, -0.0065120400000000, 0.0001621600000000 ] - [ 0.0008971600000000, -0.0065203600000000, -0.0003890700000000 ] - [ 0.0015102700000000, -0.0065101600000000, 0.0004202600000000 ] - [ 0.0014081500000000, -0.0065224800000000, -0.0001391900000000 ] - [ 0.0012431300000000, 0.0061559900000000, 0.0000028200000000 ] - [ 0.0010494700000000, 0.0067729800000000, 0.0001890200000000 ] - [ 0.0012396700000000, 0.0060544700000000, -0.0000366300000000 ] - [ 0.0012488600000000, 0.0061666700000000, -0.0000708200000000 ] - [ 0.0011646300000000, -0.0060900800000000, -0.0000380500000000 ] - [ 0.0015048400000000, -0.0066746900000000, -0.0010205400000000 ] - [ 0.0012856600000000, -0.0061168900000000, 0.0000071600000000 ] - [ 0.0012136600000000, -0.0070364900000000, 0.0025247300000000 ] - [ 0.0012466700000000, 0.0064192600000000, 0.0000859900000000 ] - [ 0.0013017700000000, 0.0064474000000000, 0.0000424600000000 ] - [ 0.0012365500000000, 0.0061010800000000, 0.0000361900000000 ] - [ 0.0012270000000000, 0.0061019900000000, -0.0000277000000000 ] - [ -0.0016029800000000, 0.0041665400000000, -0.0000060000000000 ] - [ -0.0007383500000000, 0.0041642700000000, 0.0000357200000000 ] - [ -0.0012317100000000, 0.0058553200000000, 0.0000692800000000 ] - [ -0.0012113700000000, 0.0058551000000000, -0.0000376700000000 ] - [ -0.0013476800000000, -0.0055569800000000, 0.0000122000000000 ] - [ -0.0012541800000000, -0.0058613600000000, 0.0000279900000000 ] - [ -0.0012614400000000, -0.0055563400000000, -0.0000784000000000 ] - [ -0.0011983200000000, -0.0058612100000000, 0.0000114500000000 ] - [ 0.0005014700000000, -0.0018240700000000, 0.0001808800000000 ] - [ 0.0004558900000000, -0.0018456800000000, 0.0004478300000000 ] - [ 0.0002709000000000, -0.0011186200000000, 0.0010387900000000 ] - [ 0.0004709300000000, -0.0017934200000000, 0.0006125000000000 ] - [ 0.0014985700000000, 0.0021248600000000, -0.0008383600000000 ] - [ -0.0010045400000000, 0.0031437600000000, 0.0002178400000000 ] - [ 0.0005430100000000, 0.0018224300000000, -0.0005237200000000 ] - [ 0.0004810600000000, 0.0018112000000000, -0.0006017700000000 ] - [ -0.0011789900000000, 0.0026061100000000, 0.0004902000000000 ] - [ -0.0002983000000000, 0.0019060100000000, 0.0005419000000000 ] - [ -0.0005771100000000, 0.0019306400000000, 0.0005174700000000 ] - [ -0.0004790500000000, 0.0019264800000000, 0.0004515400000000 ] - [ -0.0006249700000000, -0.0019321100000000, -0.0004861100000000 ] - [ 0.0009298500000000, 0.0001630600000000, 0.0025173800000000 ] - [ -0.0005444900000000, -0.0019176900000000, -0.0005655300000000 ] - [ -0.0007560100000000, -0.0017644900000000, -0.0010229200000000 ] - [ -0.0005758100000000, 0.0019278200000000, -0.0005094200000000 ] - [ 0.0007433000000000, 0.0062546900000000, -0.0011273600000000 ] - [ -0.0005703100000000, 0.0019306000000000, -0.0004950800000000 ] - [ -0.0005067200000000, 0.0019909300000000, -0.0003496600000000 ] - [ -0.0008361400000000, -0.0012862900000000, 0.0014989900000000 ] - [ -0.0004255000000000, -0.0019589900000000, 0.0005459400000000 ] - [ -0.0012217200000000, -0.0017295700000000, -0.0000945500000000 ] - [ 0.0001610600000000, -0.0016258000000000, 0.0004209900000000 ] - [ 0.0007871500000000, -0.0018134200000000, -0.0007106100000000 ] - [ 0.0000517200000000, -0.0002245700000000, -0.0012615900000000 ] - [ 0.0005573100000000, -0.0018198200000000, -0.0004377000000000 ] - [ 0.0004246900000000, -0.0018153900000000, -0.0003735400000000 ] - [ 0.0040381200000000, 0.0114523400000000, -0.0032294700000000 ] - [ 0.0004161900000000, 0.0017858300000000, 0.0004881700000000 ] - [ 0.0005151300000000, 0.0018376000000000, 0.0005490900000000 ] - [ 0.0005218500000000, 0.0018580700000000, 0.0004961200000000 ] - [ 0.0032556300000000, 0.0093911500000000, 0.0012361300000000 ] - [ -0.0006869700000000, 0.0019322600000000, -0.0019370700000000 ] - [ -0.0013725000000000, 0.0014927700000000, -0.0016422200000000 ] - [ -0.0009905200000000, 0.0013289700000000, -0.0015844500000000 ] - [ -0.0011514100000000, -0.0013971600000000, 0.0019113400000000 ] - [ -0.0011680800000000, -0.0016976700000000, 0.0022162000000000 ] - [ -0.0012274900000000, -0.0017054100000000, 0.0016092300000000 ] - [ -0.0010303600000000, -0.0024423300000000, 0.0014332300000000 ] - [ -0.0013917800000000, 0.0023526000000000, 0.0012056500000000 ] - [ 0.0010683900000000, -0.0008542500000000, -0.0018871200000000 ] - [ 0.0011390500000000, -0.0004598900000000, -0.0014656400000000 ] - [ 0.0010004300000000, -0.0009845900000000, -0.0015331300000000 ] - [ 0.0014861800000000, 0.0007425500000000, 0.0016496000000000 ] - [ 0.0006052500000000, -0.0003065600000000, 0.0011798800000000 ] - [ 0.0011901400000000, 0.0010242700000000, 0.0017901000000000 ] - [ 0.0010332200000000, 0.0008303300000000, 0.0018743300000000 ] - [ 0.0013916000000000, -0.0009626000000000, 0.0016433200000000 ] - [ 0.0009023700000000, -0.0003020400000000, 0.0011986700000000 ] - [ 0.0013995800000000, -0.0007292800000000, 0.0018473000000000 ] - [ 0.0032762900000000, 0.0024782400000000, -0.0006394400000000 ] - [ 0.0017612400000000, -0.0000659200000000, -0.0014148600000000 ] - [ 0.0009174500000000, 0.0007543000000000, -0.0017842100000000 ] - [ 0.0011380300000000, 0.0006909100000000, -0.0018583600000000 ] - [ 0.0011139300000000, 0.0010365900000000, -0.0017161100000000 ] - [ -0.0012577400000000, 0.0018441500000000, 0.0019900000000000 ] - [ -0.0059985900000000, 0.0099257700000000, -0.0030174200000000 ] - [ -0.0012349200000000, 0.0013064300000000, 0.0016400400000000 ] - [ -0.0009018800000000, 0.0013761300000000, 0.0016917400000000 ] - [ -0.0015967700000000, -0.0029545100000000, -0.0010854000000000 ] - [ -0.0007481100000000, -0.0016637500000000, -0.0018198200000000 ] - [ -0.0011978100000000, -0.0016258400000000, -0.0020478300000000 ] - [ -0.0011076300000000, -0.0014170100000000, -0.0018020100000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0023360400000000, 0.0435087800000000, -0.0012994500000000 ] - [ -0.0012227400000000, 0.0061209300000000, 0.0000191600000000 ] - [ -0.0012283800000000, 0.0062532300000000, 0.0000399600000000 ] - [ -0.0012379300000000, 0.0060714700000000, 0.0000252400000000 ] - [ -0.0013548100000000, -0.0063396200000000, 0.0000932500000000 ] - [ -0.0012579200000000, -0.0063389600000000, -0.0000500600000000 ] - [ -0.0011758600000000, -0.0062061700000000, 0.0000315100000000 ] - [ -0.0012498600000000, -0.0062060300000000, 0.0000067100000000 ] - [ 0.0014410100000000, -0.0054537800000000, -0.0001329400000000 ] - [ 0.0015719000000000, -0.0054411500000000, 0.0004201000000000 ] - [ 0.0009578900000000, -0.0054520800000000, -0.0003904800000000 ] - [ 0.0010598900000000, -0.0054433900000000, 0.0001704100000000 ] - [ 0.0012247500000000, 0.0058100200000000, -0.0000335200000000 ] - [ 0.0014182400000000, 0.0051932200000000, -0.0002193400000000 ] - [ 0.0012285000000000, 0.0059113000000000, 0.0000062900000000 ] - [ 0.0012189400000000, 0.0057992700000000, 0.0000399800000000 ] - [ 0.0013037300000000, -0.0058744800000000, 0.0000067800000000 ] - [ 0.0009646400000000, -0.0052842400000000, 0.0009775600000000 ] - [ 0.0011819600000000, -0.0058478700000000, -0.0000367900000000 ] - [ 0.0012492300000000, -0.0049132800000000, -0.0025308500000000 ] - [ 0.0012198800000000, 0.0055463900000000, -0.0000562200000000 ] - [ 0.0011679800000000, 0.0055188800000000, -0.0000112600000000 ] - [ 0.0012318700000000, 0.0058648500000000, -0.0000055100000000 ] - [ 0.0012412300000000, 0.0058640600000000, 0.0000584400000000 ] - [ -0.0008086800000000, 0.0078006600000000, -0.0000289500000000 ] - [ -0.0017851800000000, 0.0077983900000000, -0.0000719800000000 ] - [ -0.0012357700000000, 0.0061110000000000, -0.0001001400000000 ] - [ -0.0012565900000000, 0.0061108500000000, 0.0000077600000000 ] - [ -0.0011195100000000, -0.0064085600000000, 0.0000200900000000 ] - [ -0.0012135000000000, -0.0061039300000000, 0.0000028300000000 ] - [ -0.0012065500000000, -0.0064077000000000, 0.0001072900000000 ] - [ -0.0012695200000000, -0.0061037000000000, 0.0000189200000000 ] - [ 0.0005423800000000, -0.0019224200000000, 0.0008462500000000 ] - [ 0.0005877100000000, -0.0019024400000000, 0.0005773800000000 ] - [ 0.0007723000000000, -0.0026271600000000, -0.0000130200000000 ] - [ 0.0005724800000000, -0.0019541000000000, 0.0004124200000000 ] - [ -0.0004588800000000, 0.0016240900000000, -0.0001827400000000 ] - [ 0.0020672700000000, 0.0005903200000000, -0.0012456400000000 ] - [ 0.0005009800000000, 0.0019278300000000, -0.0005005900000000 ] - [ 0.0005622500000000, 0.0019397200000000, -0.0004216300000000 ] - [ 0.0001309900000000, 0.0011450900000000, 0.0005385400000000 ] - [ -0.0007435500000000, 0.0018412600000000, 0.0004830600000000 ] - [ -0.0004660700000000, 0.0018180300000000, 0.0005068100000000 ] - [ -0.0005638900000000, 0.0018223700000000, 0.0005733500000000 ] - [ -0.0004188500000000, -0.0018176300000000, -0.0005385500000000 ] - [ -0.0019589000000000, -0.0038922300000000, -0.0035001400000000 ] - [ -0.0004990900000000, -0.0018315800000000, -0.0004582100000000 ] - [ -0.0002865700000000, -0.0019863300000000, 0.0000000600000000 ] - [ -0.0004674400000000, 0.0018204900000000, -0.0005157100000000 ] - [ -0.0017534400000000, -0.0024158700000000, 0.0000793700000000 ] - [ -0.0004725700000000, 0.0018185700000000, -0.0005297500000000 ] - [ -0.0005365300000000, 0.0017583600000000, -0.0006742400000000 ] - [ -0.0002050600000000, -0.0024656800000000, -0.0004820700000000 ] - [ -0.0006171100000000, -0.0017897400000000, 0.0004783500000000 ] - [ 0.0001708700000000, -0.0020167900000000, 0.0011130100000000 ] - [ -0.0012066800000000, -0.0021241700000000, 0.0006036400000000 ] - [ 0.0002539900000000, -0.0019336800000000, -0.0003130800000000 ] - [ 0.0009902400000000, -0.0035261000000000, 0.0002361900000000 ] - [ 0.0004859700000000, -0.0019279900000000, -0.0005873000000000 ] - [ 0.0006187200000000, -0.0019315900000000, -0.0006519300000000 ] - [ -0.0030700100000000, -0.0078955500000000, 0.0043365400000000 ] - [ 0.0006279200000000, 0.0019658400000000, 0.0005359100000000 ] - [ 0.0005291500000000, 0.0019146200000000, 0.0004757300000000 ] - [ 0.0005218300000000, 0.0018921500000000, 0.0005284600000000 ] - [ -0.0057676100000000, -0.0071896100000000, -0.0049475900000000 ] - [ -0.0015625700000000, 0.0004759100000000, -0.0015831600000000 ] - [ -0.0008795300000000, 0.0009202600000000, -0.0018731300000000 ] - [ -0.0012595300000000, 0.0010865800000000, -0.0019327500000000 ] - [ -0.0010979500000000, -0.0010185500000000, 0.0016044000000000 ] - [ -0.0010818500000000, -0.0007183000000000, 0.0012987200000000 ] - [ -0.0010211300000000, -0.0007098800000000, 0.0019088200000000 ] - [ -0.0012199000000000, 0.0000250700000000, 0.0020870100000000 ] - [ 0.0035909500000000, -0.0047665300000000, -0.0046442900000000 ] - [ 0.0011829400000000, -0.0015576400000000, -0.0016230100000000 ] - [ 0.0011080600000000, -0.0019520200000000, -0.0020510900000000 ] - [ 0.0012497200000000, -0.0014303000000000, -0.0019846600000000 ] - [ 0.0007664900000000, 0.0016758800000000, 0.0018669800000000 ] - [ 0.0016421100000000, 0.0027239400000000, 0.0023314800000000 ] - [ 0.0010602600000000, 0.0013932800000000, 0.0017274400000000 ] - [ 0.0012165300000000, 0.0015876600000000, 0.0016434700000000 ] - [ 0.0008576200000000, -0.0014524800000000, 0.0018745800000000 ] - [ 0.0013498300000000, -0.0021091300000000, 0.0023178200000000 ] - [ 0.0008503300000000, -0.0016820000000000, 0.0016626500000000 ] - [ -0.0009765900000000, -0.0048878200000000, 0.0041006500000000 ] - [ 0.0004936200000000, 0.0024823400000000, -0.0020997500000000 ] - [ 0.0013308500000000, 0.0016643700000000, -0.0017320100000000 ] - [ 0.0011127700000000, 0.0017280700000000, -0.0016593800000000 ] - [ 0.0011354600000000, 0.0013809700000000, -0.0018013000000000 ] - [ -0.0009932300000000, 0.0005639400000000, 0.0015296200000000 ] - [ 0.0040146100000000, -0.0077563900000000, 0.0067987400000000 ] - [ -0.0010144300000000, 0.0011095600000000, 0.0018770700000000 ] - [ -0.0013447300000000, 0.0010372700000000, 0.0018221200000000 ] - [ -0.0006508300000000, 0.0005416600000000, -0.0024356800000000 ] - [ -0.0015037100000000, -0.0007521200000000, -0.0016972600000000 ] - [ -0.0010515100000000, -0.0007907800000000, -0.0014676000000000 ] - [ -0.0011423400000000, -0.0009992400000000, -0.0017141500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0050765200000000, 0.0071815100000000, -0.0476995300000000 ] - [ -0.0013276900000000, 0.0059789500000000, -0.0002051000000000 ] - [ -0.0013023100000000, 0.0059585100000000, 0.0014046400000000 ] - [ -0.0013088800000000, 0.0059721400000000, 0.0002859300000000 ] - [ -0.0013702000000000, -0.0059464200000000, 0.0000456300000000 ] - [ -0.0011088500000000, -0.0060894500000000, 0.0000459500000000 ] - [ -0.0011747200000000, -0.0060045800000000, 0.0000043900000000 ] - [ -0.0012877900000000, -0.0060291800000000, 0.0000043900000000 ] - [ 0.0005703900000000, -0.0063895300000000, 0.0002799100000000 ] - [ 0.0017921700000000, -0.0058283300000000, 0.0002932000000000 ] - [ 0.0017991400000000, -0.0061309500000000, 0.0002844100000000 ] - [ 0.0005640200000000, -0.0055781600000000, 0.0002976600000000 ] - [ 0.0012118500000000, 0.0059646300000000, -0.0002038900000000 ] - [ 0.0013357200000000, 0.0057785000000000, -0.0004399200000000 ] - [ 0.0012092100000000, 0.0060039500000000, 0.0001366400000000 ] - [ 0.0012373100000000, 0.0060379400000000, 0.0003063400000000 ] - [ 0.0011798800000000, -0.0060049700000000, -0.0000281400000000 ] - [ 0.0011793600000000, -0.0069940000000000, 0.0046031200000000 ] - [ 0.0011740000000000, -0.0059608400000000, -0.0000135900000000 ] - [ 0.0007988700000000, -0.0034909800000000, 0.0120240000000000 ] - [ 0.0011575700000000, 0.0060539400000000, -0.0002733200000000 ] - [ 0.0012558000000000, 0.0060097300000000, -0.0002980600000000 ] - [ 0.0012442800000000, 0.0060034500000000, 0.0002432900000000 ] - [ 0.0012435100000000, 0.0059393900000000, 0.0002559000000000 ] - [ -0.0024593900000000, 0.0059301400000000, -0.0021332900000000 ] - [ -0.0006304400000000, 0.0059710300000000, -0.0021331500000000 ] - [ -0.0011732600000000, 0.0060049600000000, 0.0005131100000000 ] - [ -0.0012059400000000, 0.0058975900000000, 0.0005124900000000 ] - [ -0.0012164400000000, -0.0058887100000000, 0.0000604400000000 ] - [ -0.0012520800000000, -0.0059786300000000, 0.0000366200000000 ] - [ -0.0012143600000000, -0.0059780500000000, 0.0000621800000000 ] - [ -0.0012602200000000, -0.0059945600000000, 0.0000373500000000 ] - [ 0.0004757600000000, -0.0020101100000000, 0.0006869400000000 ] - [ 0.0005707700000000, -0.0018741000000000, 0.0005768100000000 ] - [ 0.0002817700000000, -0.0011656100000000, 0.0006616900000000 ] - [ 0.0004782300000000, -0.0018227800000000, 0.0004995100000000 ] - [ 0.0013590500000000, 0.0020863600000000, -0.0010980100000000 ] - [ 0.0000678700000000, 0.0024015800000000, -0.0012041900000000 ] - [ 0.0003733400000000, 0.0018413800000000, -0.0002710100000000 ] - [ 0.0004974900000000, 0.0020551300000000, 0.0000296400000000 ] - [ -0.0008091400000000, 0.0027429600000000, -0.0002321300000000 ] - [ -0.0004263100000000, 0.0019549600000000, 0.0002045100000000 ] - [ -0.0004423700000000, 0.0015765900000000, 0.0010094600000000 ] - [ -0.0005859200000000, 0.0017318100000000, 0.0007822000000000 ] - [ -0.0006842000000000, -0.0018346700000000, -0.0006006300000000 ] - [ 0.0012315800000000, 0.0013567500000000, 0.0019873200000000 ] - [ -0.0005550900000000, -0.0019507400000000, -0.0004167700000000 ] - [ -0.0002904800000000, -0.0026607000000000, 0.0004478900000000 ] - [ -0.0006171500000000, 0.0017595200000000, -0.0007608900000000 ] - [ -0.0006103900000000, 0.0002191600000000, -0.0013593200000000 ] - [ -0.0005976700000000, 0.0020054900000000, -0.0003090000000000 ] - [ -0.0004564500000000, 0.0021017100000000, 0.0000559100000000 ] - [ -0.0011106300000000, -0.0006844800000000, 0.0025516200000000 ] - [ -0.0002743200000000, -0.0017405400000000, 0.0006179300000000 ] - [ 0.0002620700000000, -0.0025615200000000, 0.0006791000000000 ] - [ -0.0020064300000000, -0.0026614000000000, 0.0004942700000000 ] - [ 0.0003762100000000, -0.0018934100000000, -0.0005431300000000 ] - [ 0.0009763900000000, -0.0034373500000000, 0.0002118600000000 ] - [ 0.0005933300000000, -0.0018274800000000, -0.0004442300000000 ] - [ 0.0003689300000000, -0.0016507900000000, -0.0004766600000000 ] - [ -0.0009885900000000, -0.0022845800000000, 0.0001744000000000 ] - [ 0.0005234600000000, 0.0019488500000000, 0.0002708700000000 ] - [ 0.0008194300000000, 0.0020735500000000, 0.0011238200000000 ] - [ 0.0005303300000000, 0.0018469900000000, 0.0006955700000000 ] - [ 0.0009177400000000, 0.0039397400000000, 0.0045790400000000 ] - [ -0.0007351700000000, 0.0011126900000000, -0.0011649700000000 ] - [ -0.0005351100000000, 0.0017463700000000, -0.0032953100000000 ] - [ -0.0012432300000000, 0.0012768000000000, -0.0023232400000000 ] - [ -0.0010511500000000, -0.0011924800000000, 0.0015233800000000 ] - [ -0.0011919800000000, -0.0010875300000000, 0.0011012200000000 ] - [ -0.0011488700000000, -0.0014213200000000, 0.0019328600000000 ] - [ -0.0009893700000000, -0.0014584200000000, 0.0021083800000000 ] - [ -0.0048434300000000, 0.0017761900000000, 0.0083425000000000 ] - [ 0.0009948800000000, -0.0012583600000000, -0.0012449900000000 ] - [ 0.0000204400000000, -0.0002083000000000, -0.0033344000000000 ] - [ 0.0014847500000000, -0.0011598300000000, -0.0024751700000000 ] - [ 0.0014751700000000, 0.0010401300000000, 0.0020390300000000 ] - [ 0.0008421000000000, 0.0005901200000000, 0.0030027900000000 ] - [ 0.0010928500000000, 0.0012856000000000, 0.0014244600000000 ] - [ 0.0012159400000000, 0.0016458000000000, 0.0010779400000000 ] - [ 0.0017543900000000, -0.0011492200000000, 0.0012206000000000 ] - [ 0.0002787700000000, -0.0014465300000000, 0.0000988700000000 ] - [ 0.0008067300000000, -0.0012615200000000, 0.0024793000000000 ] - [ -0.0031654800000000, -0.0031344000000000, 0.0100177500000000 ] - [ 0.0007525000000000, 0.0016354900000000, -0.0009818000000000 ] - [ 0.0013057700000000, 0.0016256300000000, -0.0012991300000000 ] - [ 0.0010528500000000, 0.0006683600000000, -0.0024576800000000 ] - [ 0.0011011800000000, 0.0011264000000000, -0.0021212700000000 ] - [ -0.0007714400000000, 0.0014693000000000, 0.0023825800000000 ] - [ 0.0025955700000000, -0.0031139900000000, 0.0093417900000000 ] - [ -0.0012687000000000, 0.0010945300000000, 0.0011891400000000 ] - [ -0.0002071600000000, 0.0004578700000000, -0.0001730800000000 ] - [ -0.0008631300000000, -0.0007916300000000, -0.0017337200000000 ] - [ -0.0014974600000000, -0.0010913100000000, -0.0014294800000000 ] - [ -0.0012679500000000, -0.0014889600000000, -0.0021839200000000 ] - [ -0.0009799000000000, -0.0012687700000000, -0.0019983900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0075849100000000, 0.0047384300000000, 0.0477183500000000 ] - [ -0.0011403300000000, 0.0059865700000000, 0.0002369100000000 ] - [ -0.0011658500000000, 0.0060092800000000, -0.0013735500000000 ] - [ -0.0011589900000000, 0.0059927100000000, -0.0002548300000000 ] - [ -0.0010977000000000, -0.0060171200000000, -0.0000775700000000 ] - [ -0.0013587200000000, -0.0058752400000000, -0.0000772300000000 ] - [ -0.0012932900000000, -0.0059602500000000, -0.0000332500000000 ] - [ -0.0011800300000000, -0.0059355300000000, -0.0000331700000000 ] - [ 0.0018942600000000, -0.0055794200000000, -0.0002523100000000 ] - [ 0.0006753900000000, -0.0061382700000000, -0.0002680300000000 ] - [ 0.0006706500000000, -0.0058364400000000, -0.0002474700000000 ] - [ 0.0019048200000000, -0.0063877200000000, -0.0002634000000000 ] - [ 0.0012562800000000, 0.0060013600000000, 0.0001737600000000 ] - [ 0.0011324000000000, 0.0061874400000000, 0.0004090100000000 ] - [ 0.0012590200000000, 0.0059615000000000, -0.0001667700000000 ] - [ 0.0012306700000000, 0.0059277900000000, -0.0003362000000000 ] - [ 0.0012876700000000, -0.0059606100000000, -0.0000043600000000 ] - [ 0.0012889200000000, -0.0049959100000000, -0.0045450400000000 ] - [ 0.0012942700000000, -0.0060052200000000, -0.0000143800000000 ] - [ 0.0016792500000000, -0.0085481300000000, -0.0123309600000000 ] - [ 0.0013107300000000, 0.0059126000000000, 0.0003041500000000 ] - [ 0.0012119800000000, 0.0059564000000000, 0.0003282800000000 ] - [ 0.0012236800000000, 0.0059623800000000, -0.0002123900000000 ] - [ 0.0012250500000000, 0.0060261200000000, -0.0002250700000000 ] - [ 0.0000536300000000, 0.0060384100000000, 0.0020900500000000 ] - [ -0.0019010300000000, 0.0059945800000000, 0.0020901900000000 ] - [ -0.0012963600000000, 0.0059599600000000, -0.0005422900000000 ] - [ -0.0012600400000000, 0.0060678900000000, -0.0005429500000000 ] - [ -0.0012516700000000, -0.0060748900000000, -0.0000311400000000 ] - [ -0.0012154700000000, -0.0059866700000000, -0.0000067400000000 ] - [ -0.0012531000000000, -0.0059864600000000, -0.0000292100000000 ] - [ -0.0012076200000000, -0.0059700100000000, -0.0000059400000000 ] - [ 0.0005673200000000, -0.0017410200000000, 0.0003339600000000 ] - [ 0.0004729800000000, -0.0018755200000000, 0.0004466400000000 ] - [ 0.0007607000000000, -0.0025785300000000, 0.0003662600000000 ] - [ 0.0005648200000000, -0.0019246100000000, 0.0005266100000000 ] - [ -0.0003162900000000, 0.0016641900000000, 0.0000760600000000 ] - [ 0.0009723800000000, 0.0013510700000000, 0.0001841000000000 ] - [ 0.0006683200000000, 0.0019060700000000, -0.0007527800000000 ] - [ 0.0005476600000000, 0.0016917900000000, -0.0010557700000000 ] - [ -0.0002328900000000, 0.0010075700000000, 0.0012512900000000 ] - [ -0.0006169600000000, 0.0017928000000000, 0.0008194600000000 ] - [ -0.0006021300000000, 0.0021740700000000, 0.0000160700000000 ] - [ -0.0004569000000000, 0.0020174700000000, 0.0002420200000000 ] - [ -0.0003611500000000, -0.0019146200000000, -0.0004250100000000 ] - [ -0.0022545900000000, -0.0050555600000000, -0.0029733300000000 ] - [ -0.0004873800000000, -0.0017992200000000, -0.0006054800000000 ] - [ -0.0007531400000000, -0.0010889200000000, -0.0014698300000000 ] - [ -0.0004255400000000, 0.0019888600000000, -0.0002627900000000 ] - [ -0.0004367900000000, 0.0035150500000000, 0.0003416100000000 ] - [ -0.0004465100000000, 0.0017445100000000, -0.0007146800000000 ] - [ -0.0005864000000000, 0.0016491000000000, -0.0010784500000000 ] - [ 0.0000647200000000, -0.0030560200000000, -0.0015108400000000 ] - [ -0.0007668300000000, -0.0020085400000000, 0.0004047500000000 ] - [ -0.0013136500000000, -0.0011806200000000, 0.0003432800000000 ] - [ 0.0009767200000000, -0.0010804700000000, 0.0005314300000000 ] - [ 0.0006681500000000, -0.0018543200000000, -0.0004827400000000 ] - [ 0.0000658400000000, -0.0003119200000000, -0.0012343300000000 ] - [ 0.0004498900000000, -0.0019216500000000, -0.0005783000000000 ] - [ 0.0006754300000000, -0.0021004100000000, -0.0005446300000000 ] - [ 0.0020416600000000, 0.0060449200000000, 0.0008237200000000 ] - [ 0.0005197700000000, 0.0018020600000000, 0.0007522900000000 ] - [ 0.0002219000000000, 0.0016713800000000, -0.0001001300000000 ] - [ 0.0005137200000000, 0.0019018200000000, 0.0003292800000000 ] - [ -0.0032982000000000, -0.0016628500000000, -0.0081683400000000 ] - [ -0.0015107300000000, 0.0012985400000000, -0.0023605900000000 ] - [ -0.0017068400000000, 0.0006754400000000, -0.0002224400000000 ] - [ -0.0010084900000000, 0.0011391100000000, -0.0011913300000000 ] - [ -0.0011987100000000, -0.0012231200000000, 0.0019954600000000 ] - [ -0.0010579000000000, -0.0013276500000000, 0.0024175700000000 ] - [ -0.0011012700000000, -0.0009963000000000, 0.0015821900000000 ] - [ -0.0012603800000000, -0.0009602900000000, 0.0014040500000000 ] - [ 0.0067361800000000, -0.0039518200000000, -0.0114409700000000 ] - [ 0.0012578400000000, -0.0011526200000000, -0.0022607300000000 ] - [ 0.0022382600000000, -0.0022142000000000, -0.0001863600000000 ] - [ 0.0007627200000000, -0.0012550700000000, -0.0010412600000000 ] - [ 0.0007758800000000, 0.0013750400000000, 0.0014789700000000 ] - [ 0.0014070500000000, 0.0018230100000000, 0.0005219600000000 ] - [ 0.0011585300000000, 0.0011293600000000, 0.0020910300000000 ] - [ 0.0010335000000000, 0.0007675600000000, 0.0024372800000000 ] - [ 0.0005016300000000, -0.0012652300000000, 0.0022973600000000 ] - [ 0.0019621000000000, -0.0009718400000000, 0.0034170500000000 ] - [ 0.0014406000000000, -0.0011489400000000, 0.0010283600000000 ] - [ 0.0057353700000000, 0.0009022100000000, -0.0068079800000000 ] - [ 0.0014939800000000, 0.0007813200000000, -0.0025352600000000 ] - [ 0.0009445400000000, 0.0007876600000000, -0.0022198800000000 ] - [ 0.0011968700000000, 0.0017415100000000, -0.0010593100000000 ] - [ 0.0011484400000000, 0.0012886400000000, -0.0013941100000000 ] - [ -0.0014803500000000, 0.0009417500000000, 0.0011430100000000 ] - [ -0.0046731600000000, 0.0053274500000000, -0.0057034200000000 ] - [ -0.0009803700000000, 0.0013219000000000, 0.0023249900000000 ] - [ -0.0020520500000000, 0.0019640900000000, 0.0036930600000000 ] - [ -0.0013883900000000, -0.0016321800000000, -0.0017767500000000 ] - [ -0.0007529700000000, -0.0013259000000000, -0.0020842000000000 ] - [ -0.0009813000000000, -0.0009256400000000, -0.0013362300000000 ] - [ -0.0012708100000000, -0.0011472600000000, -0.0015193900000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0014355400000000, 0.0059616900000000, -0.0000302600000000 ] - [ -0.0010471700000000, 0.0059172500000000, 0.0000636400000000 ] - [ -0.0019769300000000, 0.0057319600000000, -0.0002249200000000 ] - [ -0.0008990900000000, 0.0059327900000000, -0.0000279600000000 ] - [ -0.0006463400000000, -0.0044530400000000, 0.0004338500000000 ] - [ -0.0003549500000000, -0.0069670800000000, -0.0008586400000000 ] - [ -0.0013041600000000, -0.0059422400000000, 0.0000107600000000 ] - [ -0.0011622600000000, -0.0060040400000000, 0.0001333800000000 ] - [ 0.0014233500000000, -0.0066380200000000, 0.0003045400000000 ] - [ 0.0013550500000000, -0.0057598800000000, -0.0000809300000000 ] - [ 0.0011590500000000, -0.0060386300000000, -0.0000646100000000 ] - [ 0.0013019700000000, -0.0059404500000000, 0.0000796600000000 ] - [ 0.0015476700000000, 0.0060053400000000, -0.0000498600000000 ] - [ 0.0005618800000000, 0.0062184100000000, 0.0002167600000000 ] - [ 0.0016950100000000, 0.0060859000000000, -0.0001762900000000 ] - [ 0.0007684700000000, 0.0045402800000000, 0.0017266700000000 ] - [ 0.0016104800000000, -0.0060367100000000, -0.0001112700000000 ] - [ 0.0006820600000000, -0.0047392400000000, -0.0001008900000000 ] - [ 0.0014099600000000, -0.0060318700000000, -0.0000903900000000 ] - [ 0.0010582900000000, -0.0059685500000000, 0.0000501400000000 ] - [ 0.0015985400000000, 0.0063016300000000, 0.0006082200000000 ] - [ 0.0012864100000000, 0.0058868100000000, -0.0002322700000000 ] - [ 0.0013648400000000, 0.0066769900000000, -0.0007701100000000 ] - [ 0.0022817400000000, 0.0052956800000000, 0.0015160100000000 ] - [ -0.0013030100000000, 0.0058857900000000, 0.0001384600000000 ] - [ -0.0011617400000000, 0.0060186000000000, -0.0000867000000000 ] - [ -0.0008966400000000, 0.0055094400000000, -0.0004745600000000 ] - [ -0.0011462200000000, 0.0062503700000000, 0.0001313700000000 ] - [ -0.0017552800000000, -0.0095335100000000, -0.0014979800000000 ] - [ -0.0006387600000000, -0.0058777800000000, 0.0000166400000000 ] - [ -0.0013987200000000, -0.0059755700000000, 0.0003141000000000 ] - [ -0.0010769800000000, -0.0059830300000000, 0.0000234700000000 ] - [ -0.0287560300000000, 0.0112994300000000, -0.0051134100000000 ] - [ 0.0013360400000000, -0.0019402300000000, 0.0005778300000000 ] - [ 0.0003693000000000, -0.0017787900000000, 0.0005706000000000 ] - [ 0.0007064400000000, -0.0018517700000000, 0.0006113100000000 ] - [ 0.0005057300000000, 0.0018382900000000, -0.0003032000000000 ] - [ 0.0005033900000000, 0.0019437400000000, -0.0006684000000000 ] - [ 0.0028361200000000, 0.0007641300000000, -0.0021430000000000 ] - [ 0.0028699500000000, 0.0035441100000000, 0.0010518100000000 ] - [ -0.0007058900000000, 0.0019727900000000, 0.0005563000000000 ] - [ -0.0003255900000000, 0.0017282500000000, 0.0004025100000000 ] - [ -0.0007061000000000, 0.0018438400000000, 0.0005423800000000 ] - [ -0.0003254000000000, 0.0016253900000000, 0.0005965500000000 ] - [ -0.0003287300000000, -0.0018635400000000, -0.0004630800000000 ] - [ -0.0006223100000000, -0.0020696600000000, -0.0005881400000000 ] - [ -0.0004153100000000, -0.0018552900000000, -0.0005183000000000 ] - [ -0.0006650000000000, -0.0020620600000000, -0.0004548100000000 ] - [ -0.0003895000000000, 0.0019068100000000, -0.0004215100000000 ] - [ -0.0006533500000000, 0.0018489700000000, -0.0006132500000000 ] - [ -0.0002862000000000, 0.0017796900000000, -0.0005354200000000 ] - [ -0.0006490200000000, 0.0016378300000000, -0.0005274000000000 ] - [ -0.0007697000000000, -0.0020490500000000, 0.0004785000000000 ] - [ -0.0003831500000000, -0.0019708300000000, 0.0004708400000000 ] - [ -0.0005834200000000, -0.0019137600000000, 0.0005205100000000 ] - [ -0.0004662700000000, -0.0018913000000000, 0.0005090200000000 ] - [ 0.0035210600000000, -0.0021128900000000, 0.0013448900000000 ] - [ 0.0035675000000000, -0.0016615700000000, -0.0025947100000000 ] - [ 0.0004888400000000, -0.0017590200000000, -0.0006659100000000 ] - [ 0.0004869800000000, -0.0018696200000000, -0.0002864000000000 ] - [ -0.0004918600000000, 0.0015447600000000, 0.0007780100000000 ] - [ 0.0010715700000000, 0.0020285500000000, 0.0005138900000000 ] - [ -0.0004938600000000, 0.0020322000000000, 0.0003238800000000 ] - [ 0.0010721000000000, 0.0020068300000000, 0.0005569300000000 ] - [ -0.0008869500000000, 0.0013119200000000, -0.0019627600000000 ] - [ -0.0014130600000000, 0.0011512300000000, -0.0017583700000000 ] - [ 0.0031950100000000, -0.0041172100000000, -0.0037091000000000 ] - [ -0.0024978500000000, 0.0007405400000000, -0.0016107100000000 ] - [ -0.0039202900000000, -0.0025324000000000, 0.0024329700000000 ] - [ 0.0112669200000000, -0.0057318600000000, 0.0030343600000000 ] - [ -0.0014684300000000, -0.0012768600000000, 0.0015514200000000 ] - [ -0.0008256400000000, -0.0011973700000000, 0.0016454500000000 ] - [ 0.0018315000000000, -0.0009713400000000, -0.0017985300000000 ] - [ 0.0006683300000000, -0.0011275100000000, -0.0016898000000000 ] - [ 0.0014711900000000, -0.0010301100000000, -0.0015431900000000 ] - [ 0.0007737700000000, -0.0010912000000000, -0.0018395000000000 ] - [ 0.0006666500000000, 0.0008098700000000, 0.0014102800000000 ] - [ 0.0011598900000000, 0.0016042000000000, 0.0026384100000000 ] - [ 0.0008681900000000, 0.0010109300000000, 0.0019162500000000 ] - [ 0.0011404500000000, 0.0018240900000000, 0.0012323000000000 ] - [ 0.0007281400000000, -0.0007404900000000, 0.0018098400000000 ] - [ 0.0012951800000000, -0.0012044300000000, 0.0016349600000000 ] - [ 0.0010343900000000, -0.0011207900000000, 0.0017073000000000 ] - [ 0.0012091200000000, -0.0011803200000000, 0.0017490800000000 ] - [ 0.0015265600000000, 0.0010986900000000, -0.0019497300000000 ] - [ 0.0007623200000000, 0.0012408400000000, -0.0017437500000000 ] - [ 0.0026058900000000, 0.0011020000000000, -0.0016062400000000 ] - [ 0.0001800700000000, 0.0015780300000000, -0.0018100600000000 ] - [ -0.0018733000000000, 0.0021070100000000, 0.0010388700000000 ] - [ -0.0005634100000000, 0.0001679700000000, 0.0027101700000000 ] - [ -0.0016508700000000, 0.0014917400000000, 0.0026555500000000 ] - [ -0.0004691500000000, 0.0006064900000000, 0.0009137500000000 ] - [ 0.0037801500000000, 0.0004127300000000, 0.0028549600000000 ] - [ -0.0027664500000000, -0.0010517500000000, -0.0013803600000000 ] - [ -0.0002922100000000, -0.0014944100000000, -0.0017422700000000 ] - [ -0.0017554100000000, -0.0014157300000000, -0.0021904100000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0010340200000000, 0.0060031300000000, 0.0000611900000000 ] - [ -0.0014199400000000, 0.0060497000000000, -0.0000344800000000 ] - [ -0.0004916200000000, 0.0062340300000000, 0.0002538600000000 ] - [ -0.0015674500000000, 0.0060349700000000, 0.0000583100000000 ] - [ -0.0018238600000000, -0.0075251100000000, -0.0004703600000000 ] - [ -0.0021065200000000, -0.0050102000000000, 0.0008170100000000 ] - [ -0.0011631300000000, -0.0060239100000000, -0.0000391200000000 ] - [ -0.0013061200000000, -0.0059626400000000, -0.0001614400000000 ] - [ 0.0010480300000000, -0.0053283000000000, -0.0002719300000000 ] - [ 0.0011105700000000, -0.0062053000000000, 0.0001093400000000 ] - [ 0.0013101900000000, -0.0059277600000000, 0.0000946300000000 ] - [ 0.0011654300000000, -0.0060254600000000, -0.0000496900000000 ] - [ 0.0009219600000000, 0.0059601800000000, 0.0000184300000000 ] - [ 0.0019046800000000, 0.0057491900000000, -0.0002453700000000 ] - [ 0.0007753800000000, 0.0058799400000000, 0.0001473900000000 ] - [ 0.0016874100000000, 0.0074289900000000, -0.0017589500000000 ] - [ 0.0008587500000000, -0.0059287900000000, 0.0000809600000000 ] - [ 0.0017759800000000, -0.0072357000000000, 0.0000733100000000 ] - [ 0.0010583700000000, -0.0059343000000000, 0.0000613800000000 ] - [ 0.0014078800000000, -0.0059986000000000, -0.0000794200000000 ] - [ 0.0008786600000000, 0.0056708100000000, -0.0005674300000000 ] - [ 0.0011804500000000, 0.0060786100000000, 0.0002599600000000 ] - [ 0.0011012400000000, 0.0052844500000000, 0.0008050300000000 ] - [ 0.0001968500000000, 0.0066636600000000, -0.0014674400000000 ] - [ -0.0011632300000000, 0.0060803200000000, -0.0001676600000000 ] - [ -0.0013072000000000, 0.0059477000000000, 0.0000569200000000 ] - [ -0.0015616900000000, 0.0064483300000000, 0.0004360100000000 ] - [ -0.0013225700000000, 0.0057179100000000, -0.0001603200000000 ] - [ -0.0007344900000000, -0.0024267500000000, 0.0015321500000000 ] - [ -0.0018263700000000, -0.0060900700000000, 0.0000126400000000 ] - [ -0.0010702300000000, -0.0059902700000000, -0.0002836700000000 ] - [ -0.0013898700000000, -0.0059836400000000, 0.0000067000000000 ] - [ 0.0290493300000000, -0.0146576700000000, 0.0060136300000000 ] - [ -0.0002914400000000, -0.0018082000000000, 0.0004487900000000 ] - [ 0.0006729500000000, -0.0019682800000000, 0.0004565400000000 ] - [ 0.0003375900000000, -0.0018969900000000, 0.0004159800000000 ] - [ 0.0005400800000000, 0.0019114500000000, -0.0007235900000000 ] - [ 0.0005378000000000, 0.0018060400000000, -0.0003575700000000 ] - [ -0.0018261200000000, 0.0030096500000000, 0.0011424600000000 ] - [ -0.0017924800000000, 0.0002232500000000, -0.0020544600000000 ] - [ -0.0003366000000000, 0.0017757200000000, 0.0004697300000000 ] - [ -0.0007176500000000, 0.0020197400000000, 0.0006225700000000 ] - [ -0.0003368200000000, 0.0019043400000000, 0.0004835800000000 ] - [ -0.0007174400000000, 0.0021209900000000, 0.0004309300000000 ] - [ -0.0007134900000000, -0.0018852800000000, -0.0005629600000000 ] - [ -0.0004231800000000, -0.0016818300000000, -0.0004370400000000 ] - [ -0.0006268200000000, -0.0018939500000000, -0.0005072600000000 ] - [ -0.0003793100000000, -0.0016884200000000, -0.0005707300000000 ] - [ -0.0006522800000000, 0.0018419100000000, -0.0006048900000000 ] - [ -0.0003910000000000, 0.0018998000000000, -0.0004129600000000 ] - [ -0.0007549000000000, 0.0019681300000000, -0.0004903800000000 ] - [ -0.0003959100000000, 0.0021099500000000, -0.0004997100000000 ] - [ -0.0002726000000000, -0.0017008100000000, 0.0005473800000000 ] - [ -0.0006607800000000, -0.0017796900000000, 0.0005551400000000 ] - [ -0.0004595900000000, -0.0018351800000000, 0.0005055900000000 ] - [ -0.0005770700000000, -0.0018579900000000, 0.0005173000000000 ] - [ -0.0025243200000000, -0.0016354700000000, -0.0024104000000000 ] - [ -0.0024780300000000, -0.0020878200000000, 0.0015370200000000 ] - [ 0.0005558800000000, -0.0019901600000000, -0.0003597300000000 ] - [ 0.0005539900000000, -0.0018784400000000, -0.0007378500000000 ] - [ 0.0015348600000000, 0.0021925000000000, 0.0002744300000000 ] - [ -0.0000277100000000, 0.0017229500000000, 0.0005101700000000 ] - [ 0.0015328900000000, 0.0017121800000000, 0.0006832400000000 ] - [ -0.0000272400000000, 0.0017429500000000, 0.0004705900000000 ] - [ -0.0013665200000000, 0.0011076500000000, -0.0015594400000000 ] - [ -0.0008363400000000, 0.0012640400000000, -0.0017573000000000 ] - [ -0.0054225700000000, 0.0065826200000000, 0.0002256200000000 ] - [ 0.0002440100000000, 0.0016698100000000, -0.0019043500000000 ] - [ 0.0016794100000000, 0.0001227400000000, 0.0010808500000000 ] - [ -0.0128114200000000, 0.0029256900000000, 0.0006236600000000 ] - [ -0.0007854300000000, -0.0011388300000000, 0.0019645000000000 ] - [ -0.0014200100000000, -0.0012196300000000, 0.0018706300000000 ] - [ 0.0004158400000000, -0.0014405700000000, -0.0017201600000000 ] - [ 0.0015811600000000, -0.0012889500000000, -0.0018262800000000 ] - [ 0.0007803800000000, -0.0013843200000000, -0.0019719600000000 ] - [ 0.0014751500000000, -0.0013249700000000, -0.0016786800000000 ] - [ 0.0015793400000000, 0.0016063900000000, 0.0021089100000000 ] - [ 0.0010982700000000, 0.0008151000000000, 0.0008808100000000 ] - [ 0.0013792000000000, 0.0014061600000000, 0.0016000200000000 ] - [ 0.0011154700000000, 0.0005961500000000, 0.0022815600000000 ] - [ 0.0015178000000000, -0.0016747900000000, 0.0017064000000000 ] - [ 0.0009614800000000, -0.0012095400000000, 0.0018850100000000 ] - [ 0.0012131500000000, -0.0012950800000000, 0.0018095600000000 ] - [ 0.0010434600000000, -0.0012356600000000, 0.0017668100000000 ] - [ 0.0007246600000000, 0.0013164100000000, -0.0015687900000000 ] - [ 0.0014866900000000, 0.0011766200000000, -0.0017727400000000 ] - [ -0.0003564200000000, 0.0013071700000000, -0.0019067800000000 ] - [ 0.0020638400000000, 0.0008442700000000, -0.0017078500000000 ] - [ -0.0003811100000000, 0.0003036200000000, 0.0024798900000000 ] - [ -0.0016724800000000, 0.0022437200000000, 0.0008066300000000 ] - [ -0.0006039100000000, 0.0009214000000000, 0.0008582100000000 ] - [ -0.0017713000000000, 0.0018078700000000, 0.0025982500000000 ] - [ -0.0060118000000000, -0.0028623600000000, -0.0064198600000000 ] - [ 0.0005103400000000, -0.0013633600000000, -0.0021313800000000 ] - [ -0.0019589100000000, -0.0009270800000000, -0.0017725700000000 ] - [ -0.0004975500000000, -0.0010027500000000, -0.0013326600000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0011662500000000, 0.0060300000000000, -0.0001195300000000 ] - [ -0.0012809300000000, 0.0060105700000000, 0.0000163600000000 ] - [ -0.0003943100000000, 0.0067385700000000, 0.0007243800000000 ] - [ -0.0014905500000000, 0.0060625400000000, 0.0000665900000000 ] - [ 0.0002930100000000, -0.0047112200000000, 0.0005042000000000 ] - [ -0.0017957000000000, -0.0057279300000000, 0.0001979800000000 ] - [ -0.0012187300000000, -0.0060458500000000, 0.0001665400000000 ] - [ -0.0012971100000000, -0.0060342000000000, -0.0000475600000000 ] - [ 0.0004236600000000, -0.0052501300000000, -0.0008557300000000 ] - [ 0.0014857000000000, -0.0059506900000000, -0.0000657600000000 ] - [ 0.0012019700000000, -0.0059260400000000, 0.0003162000000000 ] - [ 0.0013037600000000, -0.0059297300000000, 0.0001588300000000 ] - [ 0.0012971300000000, 0.0059404500000000, 0.0000609000000000 ] - [ 0.0008670200000000, 0.0060954500000000, 0.0007729600000000 ] - [ 0.0011961700000000, 0.0059259600000000, -0.0000555900000000 ] - [ 0.0001415400000000, 0.0080035600000000, -0.0032049600000000 ] - [ 0.0010639000000000, -0.0059288000000000, -0.0001304500000000 ] - [ 0.0026985000000000, -0.0016027500000000, -0.0016766700000000 ] - [ 0.0011317600000000, -0.0059260100000000, 0.0001155800000000 ] - [ 0.0013151600000000, -0.0058661500000000, 0.0002115700000000 ] - [ 0.0022161600000000, 0.0065725700000000, 0.0012033400000000 ] - [ 0.0010839200000000, 0.0058993400000000, 0.0001499400000000 ] - [ 0.0017443400000000, 0.0061265800000000, -0.0006739100000000 ] - [ 0.0006863200000000, 0.0062327200000000, -0.0007766900000000 ] - [ -0.0013001600000000, 0.0060399500000000, -0.0002410100000000 ] - [ -0.0011924100000000, 0.0060361400000000, -0.0000625800000000 ] - [ -0.0028853000000000, 0.0076441300000000, 0.0015579600000000 ] - [ -0.0010489600000000, 0.0060417300000000, 0.0000042700000000 ] - [ -0.0051142300000000, 0.0035913800000000, 0.0041311200000000 ] - [ -0.0011779300000000, -0.0060710000000000, -0.0000581900000000 ] - [ -0.0011630100000000, -0.0060196900000000, -0.0001852000000000 ] - [ -0.0012436900000000, -0.0059984100000000, 0.0000429800000000 ] - [ 0.0135772100000000, -0.0507047100000000, -0.0192961300000000 ] - [ 0.0004554300000000, -0.0022067700000000, 0.0003081100000000 ] - [ 0.0006167800000000, -0.0022646900000000, 0.0006157000000000 ] - [ 0.0005443900000000, -0.0020070100000000, 0.0005183500000000 ] - [ 0.0004532700000000, 0.0016550500000000, -0.0005344400000000 ] - [ 0.0005581000000000, 0.0016549500000000, -0.0005838600000000 ] - [ -0.0011394100000000, 0.0012888300000000, -0.0000669700000000 ] - [ 0.0016440000000000, 0.0012899100000000, -0.0004107400000000 ] - [ -0.0005526500000000, 0.0024000600000000, 0.0004761100000000 ] - [ -0.0007690700000000, 0.0021586500000000, 0.0005377700000000 ] - [ -0.0004234300000000, 0.0024006300000000, 0.0002285300000000 ] - [ -0.0006676500000000, 0.0021588000000000, 0.0004307200000000 ] - [ -0.0005333000000000, -0.0014786300000000, -0.0007205100000000 ] - [ -0.0003265100000000, -0.0005205900000000, -0.0008160000000000 ] - [ -0.0005414400000000, -0.0016644000000000, -0.0005042700000000 ] - [ -0.0003343000000000, -0.0014948500000000, -0.0005072400000000 ] - [ -0.0004895700000000, 0.0021193000000000, -0.0003346300000000 ] - [ -0.0005475200000000, 0.0022352200000000, -0.0002748900000000 ] - [ -0.0006166700000000, 0.0022101700000000, -0.0004786600000000 ] - [ -0.0007578700000000, 0.0025606500000000, -0.0005763500000000 ] - [ -0.0003478200000000, -0.0010128700000000, 0.0006216700000000 ] - [ -0.0004255800000000, -0.0015650000000000, 0.0005168700000000 ] - [ -0.0004826600000000, -0.0015493300000000, 0.0007146300000000 ] - [ -0.0005050900000000, -0.0017099000000000, 0.0006024200000000 ] - [ 0.0007434200000000, -0.0027881300000000, -0.0007428200000000 ] - [ 0.0002720900000000, -0.0027854500000000, -0.0001121500000000 ] - [ 0.0005264900000000, -0.0022432600000000, -0.0002706000000000 ] - [ 0.0006376800000000, -0.0022428400000000, -0.0003357200000000 ] - [ 0.0003630000000000, 0.0014022400000000, -0.0010305000000000 ] - [ 0.0003893800000000, 0.0016570300000000, 0.0005686700000000 ] - [ 0.0008463000000000, 0.0014037400000000, 0.0030737700000000 ] - [ 0.0003682700000000, 0.0016574500000000, 0.0006386100000000 ] - [ -0.0010584300000000, 0.0013706200000000, -0.0018422900000000 ] - [ -0.0011121900000000, 0.0013653100000000, -0.0018686800000000 ] - [ -0.0064682800000000, 0.0205377800000000, 0.0059707200000000 ] - [ -0.0011783600000000, 0.0013760700000000, -0.0015917700000000 ] - [ -0.0017776400000000, 0.0001264500000000, 0.0023605900000000 ] - [ -0.0051667100000000, 0.0044118900000000, 0.0023325700000000 ] - [ -0.0012949700000000, -0.0007600600000000, 0.0013471200000000 ] - [ -0.0009952500000000, -0.0006806800000000, 0.0013553700000000 ] - [ 0.0013527500000000, -0.0027178000000000, -0.0008995400000000 ] - [ 0.0011721300000000, -0.0016180300000000, -0.0015980300000000 ] - [ 0.0009640700000000, -0.0020911200000000, -0.0025654200000000 ] - [ 0.0012074500000000, -0.0015547300000000, -0.0019336300000000 ] - [ 0.0005348700000000, 0.0005895700000000, 0.0013718600000000 ] - [ 0.0022490200000000, 0.0002774400000000, 0.0005114600000000 ] - [ 0.0009714100000000, 0.0008437300000000, 0.0018673200000000 ] - [ 0.0014836500000000, 0.0005119900000000, 0.0021886700000000 ] - [ 0.0017599500000000, -0.0022282200000000, 0.0020727000000000 ] - [ 0.0002727200000000, -0.0025667000000000, 0.0016733200000000 ] - [ 0.0012586900000000, -0.0015572400000000, 0.0016391000000000 ] - [ 0.0010252100000000, -0.0015966500000000, 0.0016470700000000 ] - [ 0.0010230000000000, 0.0006737500000000, -0.0021793100000000 ] - [ 0.0011925400000000, 0.0010400100000000, -0.0019231800000000 ] - [ 0.0002297200000000, -0.0014424900000000, -0.0002245400000000 ] - [ 0.0014892100000000, 0.0007646700000000, -0.0015381200000000 ] - [ -0.0006642600000000, 0.0017027300000000, 0.0022443500000000 ] - [ -0.0020180400000000, 0.0019004600000000, 0.0027144700000000 ] - [ -0.0004972400000000, 0.0014401900000000, 0.0009420900000000 ] - [ -0.0020397300000000, 0.0013029400000000, 0.0011676900000000 ] - [ 0.0001513200000000, 0.0058371200000000, 0.0052946400000000 ] - [ -0.0007481100000000, -0.0007982000000000, -0.0018872300000000 ] - [ -0.0012784700000000, 0.0002559300000000, -0.0015507100000000 ] - [ -0.0009560200000000, -0.0007340200000000, -0.0016019400000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0013017900000000, 0.0059317500000000, 0.0001493500000000 ] - [ -0.0011869100000000, 0.0059539400000000, 0.0000145800000000 ] - [ -0.0020649100000000, 0.0052301600000000, -0.0006887600000000 ] - [ -0.0009802900000000, 0.0059019600000000, -0.0000356300000000 ] - [ -0.0027756300000000, -0.0072654400000000, -0.0005464300000000 ] - [ -0.0006777400000000, -0.0062294600000000, -0.0002239600000000 ] - [ -0.0012492900000000, -0.0059181000000000, -0.0001964100000000 ] - [ -0.0011707600000000, -0.0059295600000000, 0.0000173000000000 ] - [ 0.0020383600000000, -0.0067117700000000, 0.0008789600000000 ] - [ 0.0009836000000000, -0.0060164800000000, 0.0000958200000000 ] - [ 0.0012664700000000, -0.0060395700000000, -0.0002812900000000 ] - [ 0.0011645500000000, -0.0060349500000000, -0.0001272500000000 ] - [ 0.0011704000000000, 0.0060266000000000, -0.0000905500000000 ] - [ 0.0015972100000000, 0.0058736700000000, -0.0007986500000000 ] - [ 0.0012720100000000, 0.0060402600000000, 0.0000243400000000 ] - [ 0.0023470500000000, 0.0039483800000000, 0.0032077300000000 ] - [ 0.0014026800000000, -0.0060368600000000, 0.0000989500000000 ] - [ -0.0002019400000000, -0.0102738300000000, 0.0016192900000000 ] - [ 0.0013352900000000, -0.0060388900000000, -0.0001453100000000 ] - [ 0.0011530100000000, -0.0060994000000000, -0.0002406700000000 ] - [ 0.0002535300000000, 0.0053933800000000, -0.0011685600000000 ] - [ 0.0013845600000000, 0.0060688100000000, -0.0001184200000000 ] - [ 0.0007206000000000, 0.0058395400000000, 0.0007063100000000 ] - [ 0.0017774900000000, 0.0057344300000000, 0.0008037400000000 ] - [ -0.0011679200000000, 0.0059239900000000, 0.0002084800000000 ] - [ -0.0012756300000000, 0.0059279800000000, 0.0000318100000000 ] - [ 0.0003946000000000, 0.0043425300000000, -0.0015674800000000 ] - [ -0.0014171700000000, 0.0059216000000000, -0.0000346800000000 ] - [ 0.0027396700000000, -0.0157579400000000, -0.0042004000000000 ] - [ -0.0012905200000000, -0.0058919600000000, 0.0000881900000000 ] - [ -0.0013050200000000, -0.0059435300000000, 0.0002165200000000 ] - [ -0.0012244500000000, -0.0059652600000000, -0.0000121800000000 ] - [ -0.0123754200000000, 0.0462650500000000, 0.0200779800000000 ] - [ 0.0005871600000000, -0.0015431600000000, 0.0007140500000000 ] - [ 0.0004271000000000, -0.0014842800000000, 0.0004101500000000 ] - [ 0.0004990300000000, -0.0017417100000000, 0.0005059000000000 ] - [ 0.0005908700000000, 0.0020938200000000, -0.0004880400000000 ] - [ 0.0004843700000000, 0.0020936400000000, -0.0004384400000000 ] - [ 0.0021807500000000, 0.0024493600000000, -0.0009607000000000 ] - [ -0.0006013800000000, 0.0024507100000000, -0.0006168800000000 ] - [ -0.0004920300000000, 0.0013524100000000, 0.0005461800000000 ] - [ -0.0002731500000000, 0.0015917500000000, 0.0004854400000000 ] - [ -0.0006204000000000, 0.0013529600000000, 0.0007949600000000 ] - [ -0.0003759400000000, 0.0015919500000000, 0.0005927500000000 ] - [ -0.0005114400000000, -0.0022681600000000, -0.0003048800000000 ] - [ -0.0007141300000000, -0.0032261200000000, -0.0002100500000000 ] - [ -0.0005026900000000, -0.0020831400000000, -0.0005188700000000 ] - [ -0.0007077600000000, -0.0022523700000000, -0.0005155200000000 ] - [ -0.0005542700000000, 0.0016314300000000, -0.0006891400000000 ] - [ -0.0004967100000000, 0.0015153200000000, -0.0007499100000000 ] - [ -0.0004280300000000, 0.0015424600000000, -0.0005445600000000 ] - [ -0.0002854800000000, 0.0011928000000000, -0.0004458100000000 ] - [ -0.0006959900000000, -0.0027322300000000, 0.0004023000000000 ] - [ -0.0006164400000000, -0.0021818900000000, 0.0005070400000000 ] - [ -0.0005610800000000, -0.0021977400000000, 0.0003105500000000 ] - [ -0.0005381500000000, -0.0020378900000000, 0.0004218000000000 ] - [ 0.0003167700000000, -0.0009656500000000, -0.0002736400000000 ] - [ 0.0007492600000000, -0.0009626500000000, -0.0009006300000000 ] - [ 0.0005172500000000, -0.0015068800000000, -0.0007519300000000 ] - [ 0.0004063400000000, -0.0015065000000000, -0.0006876900000000 ] - [ 0.0006828600000000, 0.0023325000000000, 0.0020683400000000 ] - [ 0.0006530100000000, 0.0020902300000000, 0.0004564900000000 ] - [ 0.0001982600000000, 0.0023339000000000, -0.0020447000000000 ] - [ 0.0006735400000000, 0.0020907500000000, 0.0003851600000000 ] - [ -0.0011945100000000, 0.0010522300000000, -0.0016821500000000 ] - [ -0.0011374500000000, 0.0010536300000000, -0.0016493800000000 ] - [ 0.0038731900000000, -0.0172440300000000, -0.0090068300000000 ] - [ -0.0010681800000000, 0.0010455700000000, -0.0019239900000000 ] - [ -0.0004827900000000, -0.0025431700000000, 0.0011617700000000 ] - [ 0.0030974500000000, -0.0068812700000000, 0.0012160600000000 ] - [ -0.0009555700000000, -0.0016552700000000, 0.0021669100000000 ] - [ -0.0012547800000000, -0.0017354100000000, 0.0021586500000000 ] - [ 0.0009017800000000, 0.0002993600000000, -0.0026075000000000 ] - [ 0.0010782600000000, -0.0007969700000000, -0.0019171500000000 ] - [ 0.0012833200000000, -0.0003288800000000, -0.0009603500000000 ] - [ 0.0010437400000000, -0.0008613500000000, -0.0015841800000000 ] - [ 0.0017161500000000, 0.0018226900000000, 0.0021452700000000 ] - [ -0.0000061200000000, 0.0021318800000000, 0.0030118800000000 ] - [ 0.0012786700000000, 0.0015687700000000, 0.0016496300000000 ] - [ 0.0007664400000000, 0.0019002200000000, 0.0013289200000000 ] - [ 0.0004986400000000, -0.0001923500000000, 0.0014484900000000 ] - [ 0.0019681200000000, 0.0001483600000000, 0.0018399500000000 ] - [ 0.0009923400000000, -0.0008582100000000, 0.0018760700000000 ] - [ 0.0012243200000000, -0.0008180500000000, 0.0018682300000000 ] - [ 0.0012269600000000, 0.0017388600000000, -0.0013374700000000 ] - [ 0.0010580400000000, 0.0013740300000000, -0.0015934900000000 ] - [ 0.0020223100000000, 0.0038602700000000, -0.0032988300000000 ] - [ 0.0007623500000000, 0.0016480500000000, -0.0019774100000000 ] - [ -0.0015845200000000, 0.0007237700000000, 0.0012743200000000 ] - [ -0.0002301300000000, 0.0005348100000000, 0.0008026900000000 ] - [ -0.0017469000000000, 0.0009830200000000, 0.0025696700000000 ] - [ -0.0002167800000000, 0.0011198000000000, 0.0023482900000000 ] - [ -0.0024800200000000, -0.0083065800000000, -0.0090456200000000 ] - [ -0.0014963300000000, -0.0016219500000000, -0.0016296900000000 ] - [ -0.0009717700000000, -0.0026677600000000, -0.0019616300000000 ] - [ -0.0012934500000000, -0.0016807400000000, -0.0019135600000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0013498200000000, 0.0056513600000000, 0.0001926400000000 ] - [ -0.0011821500000000, 0.0059182100000000, 0.0000805600000000 ] - [ -0.0008388800000000, 0.0065078200000000, 0.0001610600000000 ] - [ -0.0013271700000000, 0.0060828200000000, 0.0000015100000000 ] - [ -0.0006185200000000, -0.0052497200000000, -0.0007050000000000 ] - [ -0.0011155200000000, -0.0063098500000000, -0.0006011800000000 ] - [ -0.0013035600000000, -0.0060734500000000, 0.0005251400000000 ] - [ -0.0011806400000000, -0.0059946000000000, 0.0002246900000000 ] - [ 0.0009819700000000, -0.0059597200000000, -0.0007257000000000 ] - [ 0.0011949400000000, -0.0060127000000000, -0.0002917900000000 ] - [ 0.0013020600000000, -0.0059876800000000, 0.0005107800000000 ] - [ 0.0013341600000000, -0.0059219200000000, 0.0002850500000000 ] - [ 0.0014099000000000, 0.0060367400000000, 0.0000793300000000 ] - [ 0.0004784700000000, 0.0064930800000000, 0.0009415100000000 ] - [ 0.0012321100000000, 0.0059568900000000, -0.0001036600000000 ] - [ 0.0025164400000000, 0.0029517400000000, 0.0024809900000000 ] - [ 0.0012805800000000, -0.0059800200000000, -0.0002644000000000 ] - [ 0.0012421800000000, -0.0065936600000000, -0.0008621500000000 ] - [ 0.0011877900000000, -0.0059658000000000, 0.0001867200000000 ] - [ 0.0012072000000000, -0.0058196200000000, 0.0005514200000000 ] - [ 0.0028115300000000, 0.0069683000000000, 0.0020343900000000 ] - [ 0.0010972900000000, 0.0060167700000000, 0.0001226700000000 ] - [ 0.0006746100000000, 0.0053773800000000, 0.0001840100000000 ] - [ 0.0013804400000000, 0.0058936600000000, -0.0000080700000000 ] - [ -0.0011438500000000, 0.0058444600000000, 0.0000189800000000 ] - [ -0.0013072200000000, 0.0059082100000000, 0.0000518700000000 ] - [ -0.0020170000000000, 0.0067292400000000, 0.0007058000000000 ] - [ -0.0010704900000000, 0.0061814900000000, -0.0000465900000000 ] - [ -0.0026839700000000, -0.0022014100000000, -0.0002981200000000 ] - [ -0.0010748400000000, -0.0059590900000000, -0.0002249100000000 ] - [ -0.0012688900000000, -0.0060198900000000, 0.0006262400000000 ] - [ -0.0012118900000000, -0.0059669500000000, 0.0001977900000000 ] - [ -0.0048560600000000, -0.0213854700000000, -0.0392434400000000 ] - [ 0.0005857500000000, -0.0020774400000000, 0.0001692900000000 ] - [ 0.0005794600000000, -0.0017724900000000, 0.0012811900000000 ] - [ 0.0006191400000000, -0.0018681400000000, 0.0007132500000000 ] - [ 0.0006764300000000, 0.0018024000000000, -0.0002801000000000 ] - [ 0.0003126900000000, 0.0018516800000000, -0.0002797800000000 ] - [ -0.0010305600000000, 0.0019780000000000, -0.0002698000000000 ] - [ 0.0021665000000000, 0.0023195600000000, -0.0002702500000000 ] - [ -0.0005510500000000, 0.0021559400000000, 0.0004894100000000 ] - [ -0.0006051500000000, 0.0019555100000000, 0.0004857500000000 ] - [ -0.0005653400000000, 0.0019096900000000, 0.0004878600000000 ] - [ -0.0004119500000000, 0.0018486900000000, 0.0004848400000000 ] - [ -0.0004723500000000, -0.0016669900000000, -0.0006862200000000 ] - [ -0.0005978300000000, -0.0015725200000000, -0.0006843000000000 ] - [ -0.0005277300000000, -0.0018816000000000, -0.0003805100000000 ] - [ -0.0004640000000000, -0.0018784300000000, -0.0003310300000000 ] - [ -0.0004308300000000, 0.0020511600000000, -0.0003443300000000 ] - [ -0.0006214500000000, 0.0021112200000000, -0.0003100800000000 ] - [ -0.0005447200000000, 0.0019072100000000, -0.0006090000000000 ] - [ -0.0005357500000000, 0.0018088300000000, -0.0008078700000000 ] - [ -0.0004873700000000, -0.0017651900000000, 0.0002893700000000 ] - [ -0.0004802700000000, -0.0018693500000000, 0.0003928600000000 ] - [ -0.0005296600000000, -0.0016727200000000, 0.0007780600000000 ] - [ -0.0005177400000000, -0.0017841000000000, 0.0006536300000000 ] - [ 0.0025828700000000, -0.0022681800000000, -0.0004204100000000 ] - [ -0.0013501000000000, -0.0016400000000000, -0.0004202000000000 ] - [ 0.0002959700000000, -0.0020498500000000, -0.0001203200000000 ] - [ 0.0006757000000000, -0.0021148500000000, -0.0001202900000000 ] - [ 0.0003425000000000, -0.0006636200000000, 0.0054161200000000 ] - [ 0.0005647700000000, 0.0017475500000000, 0.0006083000000000 ] - [ 0.0007749200000000, 0.0034483600000000, 0.0055197400000000 ] - [ 0.0005239500000000, 0.0018184600000000, 0.0006073700000000 ] - [ -0.0014221800000000, 0.0018509700000000, -0.0033005400000000 ] - [ -0.0010898800000000, 0.0013490400000000, -0.0021234800000000 ] - [ -0.0028751500000000, 0.0083473000000000, 0.0032711400000000 ] - [ -0.0015325700000000, 0.0010379900000000, -0.0012450500000000 ] - [ -0.0010364700000000, -0.0007515400000000, 0.0032371800000000 ] - [ 0.0006384400000000, -0.0008224100000000, 0.0058931500000000 ] - [ -0.0014939000000000, -0.0009590800000000, 0.0008369700000000 ] - [ -0.0008873900000000, -0.0010896300000000, 0.0007873600000000 ] - [ 0.0010741300000000, -0.0013334100000000, -0.0013407400000000 ] - [ 0.0011041200000000, -0.0012755900000000, -0.0015656500000000 ] - [ 0.0011531200000000, -0.0016360000000000, -0.0023878400000000 ] - [ 0.0010803800000000, -0.0013032500000000, -0.0020160100000000 ] - [ 0.0005467000000000, 0.0005745500000000, 0.0018636900000000 ] - [ 0.0018287300000000, 0.0007255900000000, 0.0016334100000000 ] - [ 0.0012984300000000, 0.0013118800000000, 0.0014919500000000 ] - [ 0.0006646100000000, 0.0016522600000000, 0.0014009400000000 ] - [ 0.0012914300000000, -0.0015142000000000, 0.0023136200000000 ] - [ 0.0009826800000000, -0.0014842500000000, 0.0023898000000000 ] - [ 0.0011199900000000, -0.0013095100000000, 0.0013728200000000 ] - [ 0.0011601000000000, -0.0013309900000000, 0.0012669100000000 ] - [ 0.0012728400000000, 0.0006408900000000, -0.0026275500000000 ] - [ 0.0010383900000000, 0.0010759400000000, -0.0020823400000000 ] - [ 0.0013174000000000, 0.0016558200000000, -0.0002683400000000 ] - [ 0.0010004300000000, 0.0012247100000000, -0.0014035900000000 ] - [ -0.0014240400000000, 0.0020209200000000, 0.0018120200000000 ] - [ -0.0001189600000000, 0.0022491200000000, 0.0019700000000000 ] - [ -0.0007194600000000, 0.0011060700000000, 0.0011139400000000 ] - [ -0.0021580100000000, 0.0005750800000000, 0.0009365200000000 ] - [ 0.0032271000000000, 0.0068387700000000, 0.0148382500000000 ] - [ -0.0009835300000000, -0.0014152200000000, -0.0015263200000000 ] - [ -0.0005001000000000, -0.0002454800000000, -0.0033054700000000 ] - [ -0.0013153700000000, -0.0010517400000000, -0.0020674200000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0011169800000000, 0.0063161800000000, -0.0001603300000000 ] - [ -0.0012861100000000, 0.0060474500000000, -0.0000497300000000 ] - [ -0.0016306800000000, 0.0054558700000000, -0.0001345200000000 ] - [ -0.0011405900000000, 0.0058825400000000, 0.0000284200000000 ] - [ -0.0018469600000000, -0.0067127800000000, 0.0006842400000000 ] - [ -0.0013540800000000, -0.0056537700000000, 0.0005739800000000 ] - [ -0.0011649100000000, -0.0058929000000000, -0.0005592100000000 ] - [ -0.0012868400000000, -0.0059712000000000, -0.0002561300000000 ] - [ 0.0014879900000000, -0.0060078800000000, 0.0007575300000000 ] - [ 0.0012717900000000, -0.0059535600000000, 0.0003232100000000 ] - [ 0.0011640100000000, -0.0059766700000000, -0.0004825800000000 ] - [ 0.0011344800000000, -0.0060436100000000, -0.0002553000000000 ] - [ 0.0010555000000000, 0.0059289900000000, -0.0001085300000000 ] - [ 0.0019966700000000, 0.0054696500000000, -0.0009752200000000 ] - [ 0.0012354600000000, 0.0060088100000000, 0.0000728800000000 ] - [ -0.0000246700000000, 0.0089684600000000, -0.0024785100000000 ] - [ 0.0011871600000000, -0.0059859300000000, 0.0002348600000000 ] - [ 0.0012232600000000, -0.0053871700000000, 0.0008395900000000 ] - [ 0.0012798400000000, -0.0060001900000000, -0.0002179700000000 ] - [ 0.0012624300000000, -0.0061436900000000, -0.0005818300000000 ] - [ -0.0003633700000000, 0.0049870700000000, -0.0020282200000000 ] - [ 0.0013718500000000, 0.0059488900000000, -0.0000906900000000 ] - [ 0.0017889500000000, 0.0065843700000000, -0.0001521000000000 ] - [ 0.0010819700000000, 0.0060757200000000, 0.0000291500000000 ] - [ -0.0013246100000000, 0.0061224600000000, -0.0000479900000000 ] - [ -0.0011604100000000, 0.0060574200000000, -0.0000814500000000 ] - [ -0.0004467800000000, 0.0052311700000000, -0.0007392600000000 ] - [ -0.0013978000000000, 0.0057835900000000, 0.0000148300000000 ] - [ 0.0002151200000000, -0.0097665300000000, 0.0003513100000000 ] - [ -0.0013940800000000, -0.0060066700000000, 0.0002564500000000 ] - [ -0.0011978300000000, -0.0059462800000000, -0.0005979800000000 ] - [ -0.0012569000000000, -0.0059990800000000, -0.0001687100000000 ] - [ 0.0062748100000000, 0.0179844200000000, 0.0410172500000000 ] - [ 0.0004567100000000, -0.0016716300000000, 0.0008558700000000 ] - [ 0.0004646800000000, -0.0019786400000000, -0.0002586700000000 ] - [ 0.0004230400000000, -0.0018808600000000, 0.0003102900000000 ] - [ 0.0003651500000000, 0.0019477900000000, -0.0007436800000000 ] - [ 0.0007324800000000, 0.0018980900000000, -0.0007434300000000 ] - [ 0.0020749100000000, 0.0017720800000000, -0.0007590000000000 ] - [ -0.0011193200000000, 0.0014261900000000, -0.0007592000000000 ] - [ -0.0004916900000000, 0.0015897600000000, 0.0005367600000000 ] - [ -0.0004387300000000, 0.0017933100000000, 0.0005393100000000 ] - [ -0.0004780000000000, 0.0018396100000000, 0.0005351600000000 ] - [ -0.0006313300000000, 0.0019009200000000, 0.0005384400000000 ] - [ -0.0005715400000000, -0.0020832800000000, -0.0003369800000000 ] - [ -0.0004461700000000, -0.0021791300000000, -0.0003379100000000 ] - [ -0.0005160400000000, -0.0018675600000000, -0.0006445300000000 ] - [ -0.0005791700000000, -0.0018704600000000, -0.0006943800000000 ] - [ -0.0006134800000000, 0.0016969800000000, -0.0006804500000000 ] - [ -0.0004205200000000, 0.0016365000000000, -0.0007139500000000 ] - [ -0.0004990000000000, 0.0018416600000000, -0.0004157400000000 ] - [ -0.0005073200000000, 0.0019399200000000, -0.0002174300000000 ] - [ -0.0005554300000000, -0.0019844700000000, 0.0007353300000000 ] - [ -0.0005637200000000, -0.0018794500000000, 0.0006319800000000 ] - [ -0.0005140200000000, -0.0020772900000000, 0.0002452500000000 ] - [ -0.0005252700000000, -0.0019650700000000, 0.0003701300000000 ] - [ -0.0015489200000000, -0.0014805900000000, -0.0006002500000000 ] - [ 0.0024040800000000, -0.0021098100000000, -0.0006000600000000 ] - [ 0.0007465800000000, -0.0016984100000000, -0.0009057300000000 ] - [ 0.0003691000000000, -0.0016339800000000, -0.0009057900000000 ] - [ 0.0007012200000000, 0.0044553200000000, -0.0044938700000000 ] - [ 0.0004778100000000, 0.0020009600000000, 0.0004166800000000 ] - [ 0.0002705700000000, 0.0003486600000000, -0.0043902700000000 ] - [ 0.0005192900000000, 0.0019306700000000, 0.0004158100000000 ] - [ -0.0008246000000000, 0.0005589300000000, -0.0002114600000000 ] - [ -0.0011604500000000, 0.0010661700000000, -0.0013929200000000 ] - [ 0.0005697600000000, -0.0057794600000000, -0.0067843800000000 ] - [ -0.0007149700000000, 0.0013787800000000, -0.0022714700000000 ] - [ -0.0012198400000000, -0.0016678400000000, 0.0002759800000000 ] - [ -0.0029012000000000, -0.0015921100000000, -0.0023927700000000 ] - [ -0.0007504800000000, -0.0014595300000000, 0.0026846500000000 ] - [ -0.0013676200000000, -0.0013266200000000, 0.0027323300000000 ] - [ 0.0011726800000000, -0.0010792800000000, -0.0021821500000000 ] - [ 0.0011469400000000, -0.0011402700000000, -0.0019528100000000 ] - [ 0.0010973800000000, -0.0007816200000000, -0.0011248300000000 ] - [ 0.0011701100000000, -0.0011130000000000, -0.0014985300000000 ] - [ 0.0017082400000000, 0.0018462800000000, 0.0016469500000000 ] - [ 0.0004199500000000, 0.0016916200000000, 0.0018760900000000 ] - [ 0.0009521600000000, 0.0011037700000000, 0.0020275900000000 ] - [ 0.0015832500000000, 0.0007619100000000, 0.0021194700000000 ] - [ 0.0009579000000000, -0.0009004700000000, 0.0012023300000000 ] - [ 0.0012704000000000, -0.0009284500000000, 0.0011285500000000 ] - [ 0.0011311400000000, -0.0011064300000000, 0.0021441600000000 ] - [ 0.0010883700000000, -0.0010855600000000, 0.0022496700000000 ] - [ 0.0009746100000000, 0.0017812800000000, -0.0008849200000000 ] - [ 0.0012132900000000, 0.0013403200000000, -0.0014337600000000 ] - [ 0.0009297500000000, 0.0007514200000000, -0.0032465500000000 ] - [ 0.0012521400000000, 0.0011894200000000, -0.0021130200000000 ] - [ -0.0008247800000000, 0.0003926900000000, 0.0017010300000000 ] - [ -0.0021350300000000, 0.0001663200000000, 0.0015340300000000 ] - [ -0.0015293800000000, 0.0013101300000000, 0.0024070600000000 ] - [ -0.0000992100000000, 0.0018396500000000, 0.0025861100000000 ] - [ -0.0057888100000000, -0.0097500400000000, -0.0191301100000000 ] - [ -0.0012624900000000, -0.0010018400000000, -0.0019931800000000 ] - [ -0.0017491500000000, -0.0021652800000000, -0.0002051700000000 ] - [ -0.0009337000000000, -0.0013638500000000, -0.0014451000000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0063497500000000, 0.0106211500000000, 0.0022144700000000 ] - [ -0.0028261000000000, 0.0064172900000000, 0.0004016000000000 ] - [ -0.0008903500000000, 0.0057361600000000, 0.0006015800000000 ] - [ -0.0016033400000000, 0.0061165700000000, -0.0001014900000000 ] - [ -0.0008403000000000, -0.0059392200000000, 0.0000518100000000 ] - [ -0.0015156800000000, -0.0059557200000000, -0.0000896100000000 ] - [ -0.0004822700000000, -0.0060766600000000, -0.0001507900000000 ] - [ -0.0017235600000000, -0.0058788500000000, 0.0000085400000000 ] - [ 0.0020266600000000, -0.0059665900000000, 0.0011220000000000 ] - [ 0.0006561100000000, -0.0061068900000000, -0.0003455200000000 ] - [ 0.0083860500000000, -0.0084227800000000, 0.0057028200000000 ] - [ -0.0001664300000000, -0.0060406300000000, 0.0001490600000000 ] - [ 0.0006833600000000, 0.0056237700000000, 0.0003331200000000 ] - [ 0.0015085300000000, 0.0064981800000000, -0.0002974700000000 ] - [ 0.0010592300000000, 0.0059178700000000, -0.0000482800000000 ] - [ 0.0013247600000000, 0.0060735100000000, 0.0000748500000000 ] - [ 0.0005925400000000, -0.0057161800000000, 0.0006086900000000 ] - [ 0.0016407200000000, -0.0062044700000000, -0.0008573400000000 ] - [ -0.0001344900000000, -0.0057096300000000, -0.0003300100000000 ] - [ 0.0088868300000000, -0.0037751000000000, -0.0046173400000000 ] - [ 0.0019768000000000, 0.0053507000000000, 0.0003853100000000 ] - [ 0.0007297400000000, 0.0061896200000000, -0.0001647700000000 ] - [ 0.0016491500000000, 0.0059690700000000, 0.0000869400000000 ] - [ 0.0009488900000000, 0.0059927900000000, 0.0000395900000000 ] - [ 0.0065328600000000, 0.0010628600000000, -0.0035796500000000 ] - [ -0.0027445500000000, 0.0058477900000000, -0.0003713000000000 ] - [ -0.0008454000000000, 0.0062032100000000, -0.0009378400000000 ] - [ -0.0016692000000000, 0.0058715600000000, 0.0001288600000000 ] - [ -0.0011173400000000, -0.0059095700000000, -0.0001271400000000 ] - [ -0.0014132500000000, -0.0059987500000000, 0.0001604900000000 ] - [ -0.0011202500000000, -0.0055133600000000, 0.0002766500000000 ] - [ -0.0017648700000000, -0.0063581900000000, -0.0003554600000000 ] - [ 0.0007609500000000, -0.0018069000000000, 0.0002151800000000 ] - [ 0.0002336700000000, -0.0018621100000000, 0.0005465300000000 ] - [ 0.0048267200000000, -0.0070748900000000, -0.0012274200000000 ] - [ -0.0008484700000000, -0.0019284000000000, 0.0001046900000000 ] - [ 0.0122040200000000, 0.0058217100000000, -0.0022077800000000 ] - [ -0.0022945600000000, 0.0025290200000000, -0.0006061200000000 ] - [ 0.0008181000000000, 0.0017450400000000, -0.0007515300000000 ] - [ 0.0001807400000000, 0.0020448200000000, -0.0001403800000000 ] - [ 0.0001848000000000, 0.0020994200000000, 0.0005610300000000 ] - [ -0.0009778100000000, 0.0019214000000000, 0.0005326000000000 ] - [ -0.0001774200000000, 0.0017146400000000, 0.0004840700000000 ] - [ -0.0008720900000000, 0.0019558900000000, 0.0005567000000000 ] - [ -0.0007780800000000, -0.0017213900000000, -0.0003386500000000 ] - [ -0.0005095600000000, -0.0022323300000000, -0.0009697100000000 ] - [ -0.0009782900000000, -0.0012852600000000, -0.0010916100000000 ] - [ -0.0004911100000000, -0.0030012400000000, 0.0001927500000000 ] - [ -0.0009167500000000, 0.0025049500000000, -0.0003452300000000 ] - [ -0.0003549400000000, 0.0010260600000000, -0.0006558000000000 ] - [ -0.0006114800000000, 0.0020075100000000, -0.0005173600000000 ] - [ -0.0004389500000000, 0.0017745600000000, -0.0004757300000000 ] - [ -0.0001219000000000, -0.0017732700000000, 0.0003621900000000 ] - [ -0.0008832700000000, -0.0019418100000000, 0.0005990500000000 ] - [ 0.0009571100000000, -0.0009787000000000, 0.0003174800000000 ] - [ -0.0014631200000000, -0.0022379000000000, 0.0006374900000000 ] - [ 0.0011702000000000, -0.0027834700000000, 0.0005139400000000 ] - [ 0.0000006900000000, -0.0012496100000000, -0.0009176800000000 ] - [ 0.0010735700000000, -0.0027660900000000, -0.0015154900000000 ] - [ -0.0002221100000000, -0.0014139900000000, -0.0002113200000000 ] - [ 0.0054168300000000, 0.0005462600000000, 0.0050460200000000 ] - [ -0.0011164900000000, 0.0015010600000000, 0.0006495300000000 ] - [ 0.0013549600000000, 0.0020295900000000, 0.0011350500000000 ] - [ -0.0001069300000000, 0.0017058600000000, 0.0003216700000000 ] - [ -0.0546072500000000, 0.0060023000000000, -0.0013575100000000 ] - [ 0.0026295300000000, 0.0012542100000000, -0.0017583100000000 ] - [ -0.0027105900000000, 0.0015996900000000, -0.0018705200000000 ] - [ -0.0001325700000000, 0.0011807300000000, -0.0017545300000000 ] - [ -0.0010144100000000, -0.0008290400000000, 0.0014368600000000 ] - [ -0.0010167300000000, -0.0014737900000000, 0.0019046700000000 ] - [ 0.0002107700000000, 0.0036996800000000, 0.0039182400000000 ] - [ 0.0002004800000000, -0.0033179000000000, 0.0013478900000000 ] - [ -0.0037349800000000, -0.0007946000000000, -0.0012966800000000 ] - [ 0.0026277700000000, -0.0013565700000000, -0.0018948900000000 ] - [ -0.0037364100000000, -0.0006966900000000, -0.0021506000000000 ] - [ 0.0026279700000000, -0.0013230000000000, -0.0017172800000000 ] - [ 0.0010268200000000, 0.0011465100000000, 0.0012909500000000 ] - [ 0.0015689100000000, 0.0013926100000000, 0.0020895700000000 ] - [ 0.0007953200000000, 0.0010703400000000, 0.0021033700000000 ] - [ 0.0015764400000000, 0.0014974600000000, 0.0013684600000000 ] - [ 0.0011542600000000, -0.0016302300000000, 0.0016155700000000 ] - [ 0.0016100900000000, -0.0009878500000000, 0.0019138100000000 ] - [ 0.0042787600000000, -0.0055886900000000, 0.0029334700000000 ] - [ 0.0045367100000000, 0.0016677500000000, 0.0011359500000000 ] - [ -0.0004293100000000, 0.0006934600000000, -0.0016092800000000 ] - [ 0.0022949800000000, 0.0014258000000000, -0.0016760200000000 ] - [ 0.0005407300000000, 0.0010876600000000, -0.0017851600000000 ] - [ 0.0016550400000000, 0.0012507600000000, -0.0017839400000000 ] - [ 0.0020177200000000, 0.0004052700000000, -0.0038827700000000 ] - [ 0.0020207000000000, 0.0004248200000000, 0.0055201300000000 ] - [ 0.0005847000000000, 0.0017571900000000, 0.0041285800000000 ] - [ 0.0005825800000000, 0.0001596800000000, -0.0009723100000000 ] - [ -0.0031969800000000, -0.0026846200000000, -0.0013690100000000 ] - [ 0.0000614400000000, -0.0009619600000000, -0.0020012900000000 ] - [ -0.0031972400000000, -0.0017504000000000, -0.0031214600000000 ] - [ 0.0000611500000000, -0.0011105500000000, -0.0014824800000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0085940800000000, 0.0015982800000000, -0.0020031300000000 ] - [ 0.0003641700000000, 0.0055417400000000, -0.0003739600000000 ] - [ -0.0015780900000000, 0.0062290100000000, -0.0005706800000000 ] - [ -0.0008643700000000, 0.0058471200000000, 0.0001332300000000 ] - [ -0.0016303300000000, -0.0060256900000000, -0.0000822500000000 ] - [ -0.0009508000000000, -0.0060083200000000, 0.0000584200000000 ] - [ -0.0019906700000000, -0.0058869600000000, 0.0001203600000000 ] - [ -0.0007414400000000, -0.0060852200000000, -0.0000390400000000 ] - [ 0.0004376000000000, -0.0059973600000000, -0.0010961000000000 ] - [ 0.0018137800000000, -0.0058571900000000, 0.0003764000000000 ] - [ -0.0060180000000000, -0.0034385100000000, -0.0058744900000000 ] - [ 0.0026398700000000, -0.0059259800000000, -0.0001138800000000 ] - [ 0.0017858800000000, 0.0063428000000000, -0.0003659600000000 ] - [ 0.0009610500000000, 0.0054606800000000, 0.0002682600000000 ] - [ 0.0014091200000000, 0.0060466400000000, 0.0000178100000000 ] - [ 0.0011437400000000, 0.0058895400000000, -0.0001073900000000 ] - [ 0.0018780100000000, -0.0062499800000000, -0.0006439300000000 ] - [ 0.0008276500000000, -0.0057569700000000, 0.0008269500000000 ] - [ 0.0026059200000000, -0.0062583800000000, 0.0003039800000000 ] - [ -0.0061831400000000, -0.0080294100000000, 0.0042835500000000 ] - [ 0.0004850200000000, 0.0066185500000000, -0.0003570200000000 ] - [ 0.0017413200000000, 0.0057765200000000, 0.0001963400000000 ] - [ 0.0008157700000000, 0.0059946400000000, -0.0000574300000000 ] - [ 0.0015206300000000, 0.0059716600000000, -0.0000082000000000 ] - [ -0.0091115500000000, 0.0110750400000000, 0.0036888800000000 ] - [ 0.0002819700000000, 0.0061123800000000, 0.0003376000000000 ] - [ -0.0016230100000000, 0.0057605700000000, 0.0009069200000000 ] - [ -0.0007970500000000, 0.0060927300000000, -0.0001592000000000 ] - [ -0.0013500200000000, -0.0060556700000000, 0.0001594900000000 ] - [ -0.0010545700000000, -0.0059652100000000, -0.0001307500000000 ] - [ -0.0013438600000000, -0.0064596400000000, -0.0002489300000000 ] - [ -0.0007012900000000, -0.0056027200000000, 0.0003890700000000 ] - [ 0.0002819600000000, -0.0019431500000000, 0.0008132000000000 ] - [ 0.0008106400000000, -0.0018871000000000, 0.0004763000000000 ] - [ -0.0037908100000000, 0.0032620100000000, 0.0022175000000000 ] - [ 0.0018943800000000, -0.0018180000000000, 0.0009221000000000 ] - [ -0.0118743400000000, -0.0024488000000000, 0.0013351400000000 ] - [ 0.0033059000000000, 0.0012341900000000, -0.0004229400000000 ] - [ 0.0002236700000000, 0.0020036100000000, -0.0002710300000000 ] - [ 0.0008648300000000, 0.0017044200000000, -0.0008838300000000 ] - [ -0.0012301800000000, 0.0016481600000000, 0.0004622100000000 ] - [ -0.0000639300000000, 0.0018272600000000, 0.0004899400000000 ] - [ -0.0008670400000000, 0.0020336500000000, 0.0005396200000000 ] - [ -0.0001698100000000, 0.0017921000000000, 0.0004668900000000 ] - [ -0.0002664100000000, -0.0020280800000000, -0.0006852400000000 ] - [ -0.0005338700000000, -0.0015152800000000, -0.0000511900000000 ] - [ -0.0000654100000000, -0.0024663200000000, 0.0000706100000000 ] - [ -0.0005523500000000, -0.0007460900000000, -0.0012165200000000 ] - [ -0.0001265100000000, 0.0012422200000000, -0.0006789000000000 ] - [ -0.0006877800000000, 0.0027223900000000, -0.0003679100000000 ] - [ -0.0004321700000000, 0.0017415800000000, -0.0005060800000000 ] - [ -0.0006043500000000, 0.0019743400000000, -0.0005476900000000 ] - [ -0.0009226100000000, -0.0019769600000000, 0.0006604100000000 ] - [ -0.0001587600000000, -0.0018073000000000, 0.0004237200000000 ] - [ -0.0020054500000000, -0.0027709300000000, 0.0007054000000000 ] - [ 0.0004213900000000, -0.0015115800000000, 0.0003858200000000 ] - [ -0.0001314500000000, -0.0009597600000000, -0.0015448300000000 ] - [ 0.0010483000000000, -0.0024999300000000, -0.0001072300000000 ] - [ -0.0000351000000000, -0.0009776300000000, 0.0005012300000000 ] - [ 0.0012706400000000, -0.0023343400000000, -0.0008111700000000 ] - [ -0.0043756700000000, 0.0031770000000000, -0.0039658500000000 ] - [ 0.0021617400000000, 0.0022500300000000, 0.0003710200000000 ] - [ -0.0003116800000000, 0.0017231900000000, -0.0001144500000000 ] - [ 0.0011517100000000, 0.0020435600000000, 0.0007030600000000 ] - [ 0.0528877700000000, -0.0038771500000000, -0.0021833300000000 ] - [ -0.0048783300000000, 0.0011698400000000, -0.0017616900000000 ] - [ 0.0004658500000000, 0.0008127500000000, -0.0016462900000000 ] - [ -0.0021207900000000, 0.0012345100000000, -0.0017621300000000 ] - [ -0.0012345900000000, -0.0015883700000000, 0.0020817700000000 ] - [ -0.0012366300000000, -0.0009410800000000, 0.0016118000000000 ] - [ -0.0024683200000000, -0.0061443800000000, -0.0004120000000000 ] - [ -0.0024785400000000, 0.0008938400000000, 0.0021579500000000 ] - [ 0.0059950900000000, -0.0016254700000000, -0.0022186500000000 ] - [ -0.0003815700000000, -0.0010568500000000, -0.0016183500000000 ] - [ 0.0059936000000000, -0.0017170300000000, -0.0013638700000000 ] - [ -0.0003813900000000, -0.0010899000000000, -0.0018022600000000 ] - [ 0.0012248500000000, 0.0012686500000000, 0.0022277000000000 ] - [ 0.0006762300000000, 0.0010232000000000, 0.0014269400000000 ] - [ 0.0014575800000000, 0.0013455900000000, 0.0014125800000000 ] - [ 0.0006690900000000, 0.0009190100000000, 0.0021507500000000 ] - [ 0.0010976800000000, -0.0007842600000000, 0.0019021100000000 ] - [ 0.0006369200000000, -0.0014278000000000, 0.0016018900000000 ] - [ -0.0020447300000000, 0.0032094700000000, 0.0005735400000000 ] - [ -0.0022916700000000, -0.0040770200000000, 0.0023807700000000 ] - [ 0.0026853300000000, 0.0017266700000000, -0.0019111500000000 ] - [ -0.0000477400000000, 0.0009887900000000, -0.0018411100000000 ] - [ 0.0017112600000000, 0.0013295100000000, -0.0017317800000000 ] - [ 0.0005932300000000, 0.0011648500000000, -0.0017328800000000 ] - [ -0.0042835700000000, 0.0020207500000000, 0.0074385400000000 ] - [ -0.0042806000000000, 0.0019909100000000, -0.0019737800000000 ] - [ -0.0028344600000000, 0.0006623700000000, -0.0006204800000000 ] - [ -0.0028364800000000, 0.0022597000000000, 0.0044908700000000 ] - [ 0.0009636000000000, 0.0002875200000000, -0.0021560200000000 ] - [ -0.0023152600000000, -0.0014568900000000, -0.0015112900000000 ] - [ 0.0009633600000000, -0.0006575500000000, -0.0003765200000000 ] - [ -0.0023154800000000, -0.0013073100000000, -0.0020378800000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0031133000000000, 0.0143861100000000, 0.0029134900000000 ] - [ -0.0003219100000000, 0.0067105100000000, -0.0000781400000000 ] - [ -0.0013876600000000, 0.0062683900000000, 0.0005497500000000 ] - [ -0.0011263400000000, 0.0061033700000000, 0.0000841300000000 ] - [ -0.0013816600000000, -0.0064716600000000, 0.0001040700000000 ] - [ -0.0012009600000000, -0.0061712300000000, -0.0000003200000000 ] - [ -0.0016290300000000, -0.0072154300000000, -0.0002629500000000 ] - [ -0.0008839400000000, -0.0064788300000000, -0.0002271800000000 ] - [ 0.0012460000000000, -0.0052359700000000, -0.0009883400000000 ] - [ 0.0012372800000000, -0.0057594500000000, -0.0000321400000000 ] - [ -0.0011018800000000, -0.0024142300000000, -0.0028850000000000 ] - [ 0.0006049200000000, -0.0056305500000000, 0.0000687200000000 ] - [ 0.0010171300000000, 0.0055151400000000, 0.0001515200000000 ] - [ 0.0015040400000000, 0.0044684600000000, 0.0005978500000000 ] - [ 0.0011840500000000, 0.0057980200000000, -0.0000932800000000 ] - [ 0.0015023000000000, 0.0056035000000000, -0.0004529900000000 ] - [ 0.0012431700000000, -0.0057373800000000, 0.0000425400000000 ] - [ 0.0011776400000000, -0.0050790200000000, -0.0002538600000000 ] - [ 0.0018666200000000, -0.0055053600000000, -0.0000712500000000 ] - [ 0.0037335000000000, -0.0022914900000000, -0.0020645600000000 ] - [ 0.0009418700000000, 0.0047099700000000, 0.0004407400000000 ] - [ 0.0016021200000000, 0.0055271400000000, 0.0004333500000000 ] - [ 0.0008553900000000, 0.0054636800000000, -0.0005193500000000 ] - [ 0.0012899200000000, 0.0058105200000000, -0.0000654800000000 ] - [ -0.0057477500000000, 0.0149597100000000, 0.0043353100000000 ] - [ -0.0021567100000000, 0.0066215300000000, -0.0002799000000000 ] - [ -0.0010975300000000, 0.0061516900000000, 0.0007345600000000 ] - [ -0.0013034600000000, 0.0060803500000000, 0.0000978600000000 ] - [ -0.0011063400000000, -0.0063993700000000, 0.0002962400000000 ] - [ -0.0012590000000000, -0.0061910000000000, 0.0000757700000000 ] - [ -0.0008205300000000, -0.0077320100000000, -0.0004046200000000 ] - [ -0.0014203900000000, -0.0064377400000000, -0.0001018300000000 ] - [ 0.0006241500000000, -0.0017161700000000, 0.0011584100000000 ] - [ 0.0004654700000000, -0.0017194800000000, 0.0006527500000000 ] - [ -0.0046482900000000, 0.0165596300000000, 0.0073319700000000 ] - [ 0.0000568500000000, -0.0017108000000000, 0.0003398200000000 ] - [ 0.0047784900000000, 0.0074980700000000, -0.0001159300000000 ] - [ 0.0018475000000000, 0.0032060200000000, -0.0000543800000000 ] - [ 0.0005112000000000, 0.0024006900000000, -0.0003932200000000 ] - [ 0.0005911400000000, 0.0023211400000000, -0.0002616000000000 ] - [ -0.0002862800000000, 0.0003676300000000, 0.0006362200000000 ] - [ -0.0004413400000000, 0.0014645600000000, 0.0005790200000000 ] - [ -0.0003451700000000, 0.0009945700000000, 0.0009398500000000 ] - [ -0.0004051300000000, 0.0015283800000000, 0.0006064800000000 ] - [ -0.0003248100000000, -0.0022360800000000, -0.0006157000000000 ] - [ -0.0011359000000000, -0.0025680800000000, -0.0009560100000000 ] - [ -0.0001230300000000, -0.0024897500000000, 0.0001248300000000 ] - [ -0.0009163300000000, -0.0027990500000000, -0.0000284500000000 ] - [ -0.0000533400000000, 0.0008574600000000, -0.0008185100000000 ] - [ -0.0005217000000000, 0.0005184100000000, -0.0007899100000000 ] - [ -0.0004349500000000, 0.0015257100000000, -0.0006127800000000 ] - [ -0.0004949300000000, 0.0014857600000000, -0.0006342800000000 ] - [ -0.0004126200000000, -0.0024069900000000, -0.0000590300000000 ] - [ -0.0005539800000000, -0.0020407100000000, 0.0003791300000000 ] - [ -0.0004147500000000, -0.0045406400000000, 0.0009709200000000 ] - [ -0.0008883300000000, -0.0023154000000000, 0.0005294200000000 ] - [ -0.0000783100000000, -0.0017842200000000, 0.0001213200000000 ] - [ 0.0008075600000000, -0.0016464600000000, -0.0004093300000000 ] - [ -0.0005114700000000, -0.0011939600000000, -0.0015504100000000 ] - [ 0.0014210700000000, -0.0013863100000000, -0.0013236500000000 ] - [ -0.0010859900000000, 0.0089308100000000, -0.0076942700000000 ] - [ 0.0003653400000000, 0.0022855000000000, 0.0007188100000000 ] - [ 0.0008053200000000, 0.0033331100000000, -0.0004444600000000 ] - [ 0.0007277900000000, 0.0023463400000000, 0.0003557200000000 ] - [ 0.0036720200000000, -0.0561300500000000, -0.0021933200000000 ] - [ -0.0010820100000000, -0.0007084600000000, -0.0015545600000000 ] - [ -0.0007323500000000, -0.0002144100000000, -0.0015946300000000 ] - [ -0.0011520300000000, 0.0006763300000000, -0.0017535300000000 ] - [ -0.0008591900000000, -0.0011595200000000, 0.0015203700000000 ] - [ -0.0015042100000000, -0.0011595800000000, 0.0016784500000000 ] - [ 0.0009737700000000, 0.0014108700000000, 0.0025390400000000 ] - [ -0.0060349000000000, 0.0014005500000000, 0.0010959800000000 ] - [ 0.0016344900000000, 0.0005431700000000, 0.0025486700000000 ] - [ 0.0010085600000000, -0.0010436100000000, -0.0012654700000000 ] - [ 0.0015417900000000, 0.0005343800000000, -0.0048006000000000 ] - [ 0.0009749200000000, -0.0010446500000000, -0.0021101100000000 ] - [ 0.0011840600000000, 0.0027891800000000, 0.0016747500000000 ] - [ 0.0009417100000000, 0.0027450000000000, 0.0016104200000000 ] - [ 0.0012608600000000, 0.0024297000000000, 0.0019430600000000 ] - [ 0.0008364000000000, 0.0024256500000000, 0.0021221200000000 ] - [ 0.0007026200000000, -0.0010339000000000, 0.0018810500000000 ] - [ 0.0013449800000000, -0.0012245300000000, 0.0019689200000000 ] - [ -0.0032852600000000, 0.0010518600000000, 0.0001673600000000 ] - [ 0.0039981600000000, 0.0006290300000000, 0.0004669000000000 ] - [ 0.0016444500000000, 0.0051268700000000, -0.0017729400000000 ] - [ 0.0009065300000000, 0.0023048700000000, -0.0018521500000000 ] - [ 0.0012460700000000, 0.0022743700000000, -0.0017847000000000 ] - [ 0.0010819300000000, 0.0017170400000000, -0.0017529600000000 ] - [ -0.0019042500000000, -0.0036548300000000, 0.0006270600000000 ] - [ -0.0019353900000000, -0.0036545400000000, 0.0025065800000000 ] - [ -0.0021713200000000, -0.0010586500000000, 0.0008401000000000 ] - [ -0.0005796000000000, -0.0010589200000000, 0.0005623200000000 ] - [ -0.0005773000000000, 0.0013572500000000, -0.0040368400000000 ] - [ -0.0012232200000000, -0.0010571500000000, -0.0020675200000000 ] - [ 0.0003601400000000, 0.0013475000000000, 0.0032779200000000 ] - [ -0.0013718400000000, -0.0010579000000000, -0.0013191800000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0053296700000000, -0.0021950000000000, -0.0026912700000000 ] - [ -0.0021435300000000, 0.0052541500000000, 0.0001087500000000 ] - [ -0.0010803200000000, 0.0056962500000000, -0.0005215200000000 ] - [ -0.0013421600000000, 0.0058613800000000, -0.0000535500000000 ] - [ -0.0010862600000000, -0.0054931300000000, -0.0001353100000000 ] - [ -0.0012674900000000, -0.0057933600000000, -0.0000309000000000 ] - [ -0.0008343700000000, -0.0047487000000000, 0.0002352900000000 ] - [ -0.0015858600000000, -0.0054839100000000, 0.0001978500000000 ] - [ 0.0012225900000000, -0.0067282600000000, 0.0010172400000000 ] - [ 0.0012305300000000, -0.0062050600000000, 0.0000631600000000 ] - [ 0.0035151700000000, -0.0095343300000000, 0.0028400900000000 ] - [ 0.0018662500000000, -0.0063341300000000, -0.0000372300000000 ] - [ 0.0014517500000000, 0.0064488200000000, -0.0001826800000000 ] - [ 0.0009613600000000, 0.0074990200000000, -0.0006352900000000 ] - [ 0.0012844700000000, 0.0061663600000000, 0.0000631800000000 ] - [ 0.0009637600000000, 0.0063616000000000, 0.0004243000000000 ] - [ 0.0012245700000000, -0.0062270600000000, -0.0000732100000000 ] - [ 0.0012896700000000, -0.0068861900000000, 0.0002210600000000 ] - [ 0.0005992000000000, -0.0064584700000000, 0.0000413900000000 ] - [ -0.0012073800000000, -0.0096586400000000, 0.0019708900000000 ] - [ 0.0015307200000000, 0.0072582500000000, -0.0004139000000000 ] - [ 0.0008636200000000, 0.0064376600000000, -0.0004043000000000 ] - [ 0.0016141500000000, 0.0065014500000000, 0.0005528200000000 ] - [ 0.0011777800000000, 0.0061542600000000, 0.0000967500000000 ] - [ 0.0030212400000000, -0.0027226900000000, -0.0041076400000000 ] - [ -0.0003118300000000, 0.0053418300000000, 0.0002487100000000 ] - [ -0.0013702100000000, 0.0058129200000000, -0.0007717100000000 ] - [ -0.0011642300000000, 0.0058841400000000, -0.0001293600000000 ] - [ -0.0013617500000000, -0.0055650900000000, -0.0002666200000000 ] - [ -0.0012085800000000, -0.0057737300000000, -0.0000456900000000 ] - [ -0.0016477600000000, -0.0042366400000000, 0.0004359400000000 ] - [ -0.0010467100000000, -0.0055266700000000, 0.0001322700000000 ] - [ 0.0004193000000000, -0.0020345100000000, -0.0001333900000000 ] - [ 0.0005782800000000, -0.0020306700000000, 0.0003708800000000 ] - [ 0.0060570000000000, -0.0212225700000000, -0.0068025000000000 ] - [ 0.0009861000000000, -0.0020407100000000, 0.0006821400000000 ] - [ -0.0038746200000000, -0.0037957400000000, -0.0008857800000000 ] - [ -0.0008070200000000, 0.0005360100000000, -0.0009716200000000 ] - [ 0.0005324700000000, 0.0013465400000000, -0.0006308200000000 ] - [ 0.0004523000000000, 0.0014265200000000, -0.0007626600000000 ] - [ -0.0007557600000000, 0.0033843200000000, 0.0003828600000000 ] - [ -0.0006027000000000, 0.0022858300000000, 0.0004438300000000 ] - [ -0.0006994400000000, 0.0027570800000000, 0.0000855700000000 ] - [ -0.0006386800000000, 0.0022217800000000, 0.0004169100000000 ] - [ -0.0007194000000000, -0.0015106400000000, -0.0004079700000000 ] - [ 0.0000926400000000, -0.0011785600000000, -0.0000662200000000 ] - [ -0.0009192800000000, -0.0012559600000000, -0.0011478000000000 ] - [ -0.0001269200000000, -0.0009436700000000, -0.0009953900000000 ] - [ -0.0009884100000000, 0.0028936900000000, -0.0002052800000000 ] - [ -0.0005258700000000, 0.0032338900000000, -0.0002342800000000 ] - [ -0.0006083200000000, 0.0022249600000000, -0.0004099300000000 ] - [ -0.0005490700000000, 0.0022647900000000, -0.0003889000000000 ] - [ -0.0006302000000000, -0.0013409000000000, 0.0010821200000000 ] - [ -0.0004893000000000, -0.0017075000000000, 0.0006447500000000 ] - [ -0.0006195400000000, 0.0007628200000000, 0.0000668500000000 ] - [ -0.0001544800000000, -0.0014318100000000, 0.0004947100000000 ] - [ 0.0011226000000000, -0.0019671900000000, -0.0011439100000000 ] - [ 0.0002364900000000, -0.0021033500000000, -0.0006141100000000 ] - [ 0.0015639700000000, -0.0025594600000000, 0.0005322200000000 ] - [ -0.0003832300000000, -0.0023648700000000, 0.0003042100000000 ] - [ 0.0021895100000000, -0.0052139200000000, 0.0088891100000000 ] - [ 0.0006765800000000, 0.0014625400000000, 0.0003057100000000 ] - [ 0.0002378500000000, 0.0004090100000000, 0.0014755700000000 ] - [ 0.0003147400000000, 0.0014010200000000, 0.0006683400000000 ] - [ -0.0062196100000000, 0.0590767900000000, -0.0013237500000000 ] - [ -0.0011661000000000, 0.0031257000000000, -0.0019638800000000 ] - [ -0.0015190300000000, 0.0026330300000000, -0.0019221500000000 ] - [ -0.0010979600000000, 0.0017404100000000, -0.0017632600000000 ] - [ -0.0013918500000000, -0.0012542200000000, 0.0019952800000000 ] - [ -0.0007450300000000, -0.0012543200000000, 0.0018374900000000 ] - [ -0.0032375000000000, -0.0038190100000000, 0.0009835800000000 ] - [ 0.0038087700000000, -0.0038295400000000, 0.0024207000000000 ] - [ 0.0006142200000000, -0.0029609500000000, -0.0060630500000000 ] - [ 0.0012416800000000, -0.0013736500000000, -0.0022511600000000 ] - [ 0.0007108900000000, -0.0029696000000000, 0.0012716900000000 ] - [ 0.0012748000000000, -0.0013745100000000, -0.0014055800000000 ] - [ 0.0010620300000000, -0.0003770500000000, 0.0018453400000000 ] - [ 0.0013107400000000, -0.0003330200000000, 0.0019096800000000 ] - [ 0.0009855800000000, -0.0000165900000000, 0.0015703400000000 ] - [ 0.0014145100000000, -0.0000133800000000, 0.0013937000000000 ] - [ 0.0015483600000000, -0.0013838600000000, 0.0016368300000000 ] - [ 0.0009047700000000, -0.0011922200000000, 0.0015482100000000 ] - [ 0.0055128900000000, -0.0034756900000000, 0.0033418900000000 ] - [ -0.0017467600000000, -0.0030541500000000, 0.0030430700000000 ] - [ 0.0006112300000000, -0.0027089400000000, -0.0017376500000000 ] - [ 0.0013436800000000, 0.0001092000000000, -0.0016644800000000 ] - [ 0.0010041600000000, 0.0001394700000000, -0.0017329900000000 ] - [ 0.0011677400000000, 0.0006975600000000, -0.0017641100000000 ] - [ -0.0003379900000000, 0.0060680900000000, 0.0028819100000000 ] - [ -0.0003201100000000, 0.0060684700000000, 0.0010052600000000 ] - [ -0.0000710700000000, 0.0034870100000000, 0.0026844000000000 ] - [ -0.0016744300000000, 0.0034867400000000, 0.0029620900000000 ] - [ -0.0016700200000000, -0.0037670400000000, 0.0005311400000000 ] - [ -0.0010262800000000, -0.0013563400000000, -0.0014480800000000 ] - [ -0.0026118500000000, -0.0037769600000000, -0.0068191700000000 ] - [ -0.0008767700000000, -0.0013571900000000, -0.0021980600000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0012715300000000, 0.0091263700000000, 0.0064210100000000 ] - [ -0.0004821800000000, 0.0058063200000000, 0.0006124200000000 ] - [ -0.0009200600000000, 0.0060976300000000, -0.0015213800000000 ] - [ -0.0014342200000000, 0.0061567900000000, -0.0005510400000000 ] - [ -0.0008969500000000, -0.0055236300000000, -0.0006730900000000 ] - [ -0.0013524700000000, -0.0058292300000000, -0.0002509500000000 ] - [ -0.0015645200000000, -0.0063103000000000, 0.0003353100000000 ] - [ -0.0010048200000000, -0.0061326900000000, 0.0001598100000000 ] - [ 0.0014937300000000, -0.0062772300000000, -0.0015589700000000 ] - [ 0.0008037300000000, -0.0062090900000000, -0.0007023600000000 ] - [ 0.0063113400000000, -0.0087857200000000, 0.0096893900000000 ] - [ 0.0023303300000000, -0.0058508800000000, 0.0005225500000000 ] - [ 0.0012845500000000, 0.0060901900000000, 0.0002657900000000 ] - [ 0.0010179400000000, 0.0065614500000000, 0.0012269700000000 ] - [ 0.0012254700000000, 0.0059515200000000, -0.0003485100000000 ] - [ 0.0013999700000000, 0.0058682400000000, -0.0006958200000000 ] - [ 0.0015016000000000, -0.0060982800000000, -0.0005528200000000 ] - [ 0.0010036800000000, -0.0065447300000000, -0.0016756100000000 ] - [ 0.0000750500000000, -0.0058904000000000, 0.0007086400000000 ] - [ -0.0038698600000000, -0.0082644500000000, 0.0082507000000000 ] - [ 0.0014570200000000, 0.0063246000000000, 0.0007932700000000 ] - [ 0.0012788800000000, 0.0059558700000000, 0.0004763000000000 ] - [ 0.0010309000000000, 0.0058836800000000, -0.0006849300000000 ] - [ 0.0012706600000000, 0.0060253300000000, -0.0003487500000000 ] - [ -0.0048320400000000, 0.0109805600000000, 0.0075614700000000 ] - [ -0.0020130800000000, 0.0057517500000000, 0.0006044000000000 ] - [ -0.0014881700000000, 0.0060472600000000, -0.0019488400000000 ] - [ -0.0010972600000000, 0.0061012900000000, -0.0005834800000000 ] - [ -0.0014723500000000, -0.0056920300000000, -0.0004085100000000 ] - [ -0.0011394000000000, -0.0059385800000000, -0.0002242100000000 ] - [ -0.0009059000000000, -0.0066608800000000, 0.0000349100000000 ] - [ -0.0012758400000000, -0.0059219700000000, 0.0003412600000000 ] - [ 0.0003187500000000, -0.0019535300000000, -0.0010314500000000 ] - [ 0.0005210200000000, -0.0019842600000000, 0.0001471900000000 ] - [ -0.0014171600000000, 0.0055376300000000, 0.0055372800000000 ] - [ 0.0006669300000000, -0.0017092500000000, 0.0010234800000000 ] - [ -0.0006889700000000, 0.0024327600000000, 0.0036323900000000 ] - [ -0.0001542700000000, 0.0024741400000000, 0.0009717300000000 ] - [ 0.0006348800000000, 0.0014731400000000, -0.0014840300000000 ] - [ 0.0007274400000000, 0.0014645800000000, -0.0014357600000000 ] - [ -0.0004818000000000, 0.0010194600000000, 0.0009329900000000 ] - [ -0.0005900300000000, 0.0017149300000000, 0.0007058400000000 ] - [ -0.0007355600000000, 0.0026761200000000, -0.0001190600000000 ] - [ -0.0004410600000000, 0.0020486200000000, 0.0002530400000000 ] - [ -0.0003633900000000, -0.0019832600000000, -0.0007789000000000 ] - [ -0.0010461800000000, -0.0023041100000000, -0.0008696300000000 ] - [ -0.0008710800000000, -0.0014881000000000, -0.0004031400000000 ] - [ 0.0003564500000000, -0.0006250600000000, -0.0006328000000000 ] - [ -0.0004695700000000, 0.0021859600000000, 0.0000430800000000 ] - [ -0.0006465500000000, 0.0017911200000000, 0.0001183100000000 ] - [ -0.0005725300000000, 0.0017555800000000, -0.0008979800000000 ] - [ -0.0005305500000000, 0.0017633500000000, -0.0010038600000000 ] - [ -0.0003310600000000, -0.0022960200000000, -0.0003591900000000 ] - [ -0.0005361800000000, -0.0020396200000000, 0.0001885000000000 ] - [ -0.0006731800000000, -0.0003396500000000, 0.0019993200000000 ] - [ -0.0004710700000000, -0.0016552900000000, 0.0008666500000000 ] - [ 0.0013665300000000, -0.0012836000000000, -0.0013362800000000 ] - [ -0.0003791000000000, -0.0010595200000000, -0.0011584700000000 ] - [ -0.0004271600000000, -0.0028263100000000, -0.0002950400000000 ] - [ 0.0012425400000000, -0.0023584500000000, -0.0004571600000000 ] - [ 0.0053222200000000, -0.0055428200000000, 0.0178989300000000 ] - [ 0.0008951700000000, 0.0020028900000000, 0.0007465900000000 ] - [ 0.0005350900000000, 0.0016716600000000, -0.0010348800000000 ] - [ 0.0000930300000000, 0.0017190100000000, 0.0002008200000000 ] - [ -0.0008642300000000, 0.0007252900000000, -0.0636631100000000 ] - [ -0.0011208400000000, 0.0014098800000000, -0.0035980100000000 ] - [ -0.0012382000000000, 0.0013724000000000, 0.0014896400000000 ] - [ -0.0011206400000000, 0.0012121800000000, -0.0005745000000000 ] - [ -0.0012720000000000, -0.0012879000000000, 0.0031318000000000 ] - [ -0.0008014600000000, -0.0014460600000000, 0.0031320000000000 ] - [ -0.0007173100000000, -0.0018602000000000, -0.0003433200000000 ] - [ -0.0032942200000000, -0.0004274900000000, -0.0003538900000000 ] - [ 0.0015192300000000, 0.0018386400000000, 0.0015097800000000 ] - [ 0.0010829900000000, -0.0008555100000000, -0.0014268500000000 ] - [ 0.0006651100000000, -0.0055061000000000, 0.0015040400000000 ] - [ 0.0012634500000000, -0.0016999600000000, -0.0014257200000000 ] - [ 0.0006564900000000, 0.0012933800000000, 0.0015675700000000 ] - [ 0.0014570600000000, 0.0013567400000000, 0.0015508700000000 ] - [ 0.0014700900000000, 0.0010215100000000, 0.0021694000000000 ] - [ 0.0007336800000000, 0.0008442100000000, 0.0024074800000000 ] - [ 0.0009804300000000, -0.0010842700000000, 0.0034703800000000 ] - [ 0.0012820700000000, -0.0009956700000000, 0.0033477700000000 ] - [ 0.0023063300000000, -0.0027961300000000, -0.0041660200000000 ] - [ 0.0005037900000000, -0.0024939400000000, -0.0031264400000000 ] - [ 0.0009734300000000, 0.0011911100000000, -0.0037098600000000 ] - [ 0.0010430000000000, 0.0011147600000000, -0.0024921200000000 ] - [ 0.0011516100000000, 0.0011816600000000, -0.0004780600000000 ] - [ 0.0011504100000000, 0.0012134000000000, -0.0010590000000000 ] - [ -0.0048831100000000, 0.0004534500000000, 0.0034030100000000 ] - [ 0.0045481900000000, 0.0023414300000000, 0.0034110900000000 ] - [ 0.0016031000000000, 0.0024092000000000, 0.0048335500000000 ] - [ -0.0034948600000000, 0.0021309900000000, 0.0048352700000000 ] - [ -0.0024996800000000, -0.0062658300000000, 0.0005025500000000 ] - [ -0.0008462400000000, -0.0016464900000000, -0.0018002600000000 ] - [ -0.0007285300000000, 0.0010723800000000, 0.0005045500000000 ] - [ -0.0013700200000000, -0.0008979000000000, -0.0017970200000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0036411400000000, 0.0029443200000000, -0.0063276600000000 ] - [ -0.0019857500000000, 0.0061621900000000, -0.0005829300000000 ] - [ -0.0015496100000000, 0.0058675800000000, 0.0015513700000000 ] - [ -0.0010331000000000, 0.0058092500000000, 0.0005813700000000 ] - [ -0.0015695200000000, -0.0064410400000000, 0.0006433000000000 ] - [ -0.0011162300000000, -0.0061367500000000, 0.0002215200000000 ] - [ -0.0009033700000000, -0.0056567800000000, -0.0003680700000000 ] - [ -0.0014628100000000, -0.0058341100000000, -0.0001905500000000 ] - [ 0.0009787000000000, -0.0056926600000000, 0.0015892900000000 ] - [ 0.0016623700000000, -0.0057579800000000, 0.0007318600000000 ] - [ -0.0041954200000000, -0.0029333600000000, -0.0100970800000000 ] - [ 0.0001339700000000, -0.0061158700000000, -0.0004924800000000 ] - [ 0.0011821500000000, 0.0058740400000000, -0.0002944900000000 ] - [ 0.0014484000000000, 0.0054098300000000, -0.0012535900000000 ] - [ 0.0012431400000000, 0.0060148200000000, 0.0003183000000000 ] - [ 0.0010678700000000, 0.0060989100000000, 0.0006646000000000 ] - [ 0.0009661200000000, -0.0058675400000000, 0.0005253400000000 ] - [ 0.0014612900000000, -0.0054266300000000, 0.0016429800000000 ] - [ 0.0023991800000000, -0.0060759100000000, -0.0007405900000000 ] - [ 0.0066462500000000, -0.0035228800000000, -0.0085764100000000 ] - [ 0.0010135400000000, 0.0056396400000000, -0.0007604900000000 ] - [ 0.0011890000000000, 0.0060096100000000, -0.0004451500000000 ] - [ 0.0014363900000000, 0.0060826300000000, 0.0007136800000000 ] - [ 0.0011969600000000, 0.0059409500000000, 0.0003780300000000 ] - [ 0.0022235400000000, 0.0011655200000000, -0.0074850200000000 ] - [ -0.0004555900000000, 0.0062136700000000, -0.0006342500000000 ] - [ -0.0009772500000000, 0.0059176200000000, 0.0019175900000000 ] - [ -0.0013715400000000, 0.0058646500000000, 0.0005537600000000 ] - [ -0.0009967500000000, -0.0062726500000000, 0.0004385900000000 ] - [ -0.0013284900000000, -0.0060273400000000, 0.0002547800000000 ] - [ -0.0015602700000000, -0.0053110600000000, -0.0000078200000000 ] - [ -0.0011932200000000, -0.0060457300000000, -0.0003137100000000 ] - [ 0.0007227100000000, -0.0017938100000000, 0.0020588300000000 ] - [ 0.0005224900000000, -0.0017647700000000, 0.0008788100000000 ] - [ 0.0025177300000000, -0.0094345100000000, -0.0045189900000000 ] - [ 0.0003730000000000, -0.0020409600000000, -0.0000021100000000 ] - [ 0.0017200400000000, 0.0013160200000000, -0.0046549700000000 ] - [ 0.0011980100000000, 0.0012748200000000, -0.0019923300000000 ] - [ 0.0004099700000000, 0.0022767200000000, 0.0004599100000000 ] - [ 0.0003142200000000, 0.0022845300000000, 0.0004111100000000 ] - [ -0.0005607100000000, 0.0027288500000000, 0.0000923500000000 ] - [ -0.0004535900000000, 0.0020340400000000, 0.0003191600000000 ] - [ -0.0003067700000000, 0.0010705300000000, 0.0011442300000000 ] - [ -0.0006021000000000, 0.0016997400000000, 0.0007718300000000 ] - [ -0.0006802600000000, -0.0017656500000000, -0.0002444900000000 ] - [ 0.0000031300000000, -0.0014443700000000, -0.0001518400000000 ] - [ -0.0001721300000000, -0.0022616400000000, -0.0006214800000000 ] - [ -0.0014017300000000, -0.0031261200000000, -0.0003913400000000 ] - [ -0.0005732000000000, 0.0015614500000000, -0.0010692800000000 ] - [ -0.0003965000000000, 0.0019577300000000, -0.0011438500000000 ] - [ -0.0004704600000000, 0.0019930900000000, -0.0001269300000000 ] - [ -0.0005130900000000, 0.0019852500000000, -0.0000211400000000 ] - [ -0.0007124300000000, -0.0014538300000000, 0.0013847800000000 ] - [ -0.0005076000000000, -0.0017092800000000, 0.0008373100000000 ] - [ -0.0003721900000000, -0.0034145700000000, -0.0009790100000000 ] - [ -0.0005731200000000, -0.0020947700000000, 0.0001576900000000 ] - [ -0.0003175200000000, -0.0024651500000000, 0.0003130400000000 ] - [ 0.0014192500000000, -0.0026881500000000, 0.0001333200000000 ] - [ 0.0014770200000000, -0.0009139800000000, -0.0007324200000000 ] - [ -0.0001992100000000, -0.0013883700000000, -0.0005697900000000 ] - [ -0.0039575800000000, 0.0088030000000000, -0.0160704400000000 ] - [ 0.0001438800000000, 0.0017451800000000, 0.0002813900000000 ] - [ 0.0005044700000000, 0.0020824600000000, 0.0020661700000000 ] - [ 0.0009509700000000, 0.0020309600000000, 0.0008235000000000 ] - [ -0.0016811800000000, 0.0015756000000000, 0.0598854600000000 ] - [ -0.0011246000000000, 0.0010008300000000, 0.0000858100000000 ] - [ -0.0010141500000000, 0.0010451600000000, -0.0050076100000000 ] - [ -0.0011283500000000, 0.0012029800000000, -0.0029429900000000 ] - [ -0.0009794700000000, -0.0011290300000000, 0.0003845300000000 ] - [ -0.0014466300000000, -0.0009712900000000, 0.0003847300000000 ] - [ -0.0015274100000000, -0.0005355500000000, 0.0038766200000000 ] - [ 0.0010353800000000, -0.0019831500000000, 0.0038658600000000 ] - [ 0.0007326100000000, -0.0042339200000000, -0.0050254000000000 ] - [ 0.0011682100000000, -0.0015603600000000, -0.0020920800000000 ] - [ 0.0015869900000000, 0.0031054800000000, -0.0050307600000000 ] - [ 0.0009869500000000, -0.0007144100000000, -0.0020908900000000 ] - [ 0.0015935300000000, 0.0011227000000000, 0.0019464700000000 ] - [ 0.0007943000000000, 0.0010574000000000, 0.0019651600000000 ] - [ 0.0007794800000000, 0.0013946600000000, 0.0013494300000000 ] - [ 0.0015159700000000, 0.0015730800000000, 0.0011116000000000 ] - [ 0.0012671500000000, -0.0013287600000000, 0.0000453800000000 ] - [ 0.0009703200000000, -0.0014166200000000, 0.0001674200000000 ] - [ -0.0000533500000000, 0.0003782400000000, 0.0076936200000000 ] - [ 0.0017486100000000, 0.0000819100000000, 0.0066502700000000 ] - [ 0.0012754800000000, 0.0012269400000000, 0.0001917200000000 ] - [ 0.0012081400000000, 0.0013026300000000, -0.0010237100000000 ] - [ 0.0010982800000000, 0.0012336000000000, -0.0030384100000000 ] - [ 0.0010995100000000, 0.0012022500000000, -0.0024578700000000 ] - [ 0.0026107600000000, 0.0019549600000000, 0.0000971400000000 ] - [ -0.0067736100000000, 0.0000866500000000, 0.0001052600000000 ] - [ -0.0038601600000000, 0.0000098200000000, -0.0013223200000000 ] - [ 0.0012541500000000, 0.0002872000000000, -0.0013204900000000 ] - [ 0.0002451700000000, 0.0038313700000000, -0.0040100700000000 ] - [ -0.0014017700000000, -0.0007676100000000, -0.0017195400000000 ] - [ -0.0015155100000000, -0.0034962800000000, -0.0040072700000000 ] - [ -0.0008803300000000, -0.0015178400000000, -0.0017161900000000 ]