# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/f7f3616a-7977-42f3-afa0-e0199ebb0bf6/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 YHO2 / Pnma (62) / materials id 756402](https://mdr.nims.go.jp/datasets/6f5c7e20-06a3-4b1c-9bf3-020769b71944) ## 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: "Pnma" number: 62 Hall_symbol: "-P 2ac 2n"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 3 ]primitive_cell: lattice: - [ 10.738014890000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 3.499803960000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 4.978049230000000 ] # c points: - symbol: Y # 1 coordinates: [ 0.357351640000000, 0.250000000000000, 0.608290300000000 ] mass: 88.905850 - symbol: Y # 2 coordinates: [ 0.857351640000000, 0.250000000000000, 0.891709700000000 ] mass: 88.905850 - symbol: Y # 3 coordinates: [ 0.142648360000000, 0.750000000000000, 0.108290300000000 ] mass: 88.905850 - symbol: Y # 4 coordinates: [ 0.642648360000000, 0.750000000000000, 0.391709700000000 ] mass: 88.905850 - symbol: H # 5 coordinates: [ 0.104719470000000, 0.250000000000000, 0.637607810000000 ] mass: 1.007940 - symbol: H # 6 coordinates: [ 0.604719470000000, 0.250000000000000, 0.862392190000000 ] mass: 1.007940 - symbol: H # 7 coordinates: [ 0.395280530000000, 0.750000000000000, 0.137607810000000 ] mass: 1.007940 - symbol: H # 8 coordinates: [ 0.895280530000000, 0.750000000000000, 0.362392190000000 ] mass: 1.007940 - symbol: O # 9 coordinates: [ 0.570515380000000, 0.250000000000000, 0.670995700000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.813586980000000, 0.750000000000000, 0.638505820000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.313586980000000, 0.750000000000000, 0.861494180000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.070515380000000, 0.250000000000000, 0.829004300000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.929484620000000, 0.750000000000000, 0.170995700000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.686413020000000, 0.250000000000000, 0.138505820000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.186413020000000, 0.250000000000000, 0.361494180000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.429484620000000, 0.750000000000000, 0.329004300000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.093127082635290, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.285730289876008, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.200881902487734 ] # c*unit_cell: lattice: - [ 10.738014890000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 3.499803960000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 4.978049230000000 ] # c points: - symbol: Y # 1 coordinates: [ 0.357351640000000, 0.250000000000000, 0.608290300000000 ] mass: 88.905850 reduced_to: 1 - symbol: Y # 2 coordinates: [ 0.857351640000000, 0.250000000000000, 0.891709700000000 ] mass: 88.905850 reduced_to: 2 - symbol: Y # 3 coordinates: [ 0.142648360000000, 0.750000000000000, 0.108290300000000 ] mass: 88.905850 reduced_to: 3 - symbol: Y # 4 coordinates: [ 0.642648360000000, 0.750000000000000, 0.391709700000000 ] mass: 88.905850 reduced_to: 4 - symbol: H # 5 coordinates: [ 0.104719470000000, 0.250000000000000, 0.637607810000000 ] mass: 1.007940 reduced_to: 5 - symbol: H # 6 coordinates: [ 0.604719470000000, 0.250000000000000, 0.862392190000000 ] mass: 1.007940 reduced_to: 6 - symbol: H # 7 coordinates: [ 0.395280530000000, 0.750000000000000, 0.137607810000000 ] mass: 1.007940 reduced_to: 7 - symbol: H # 8 coordinates: [ 0.895280530000000, 0.750000000000000, 0.362392190000000 ] mass: 1.007940 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.570515380000000, 0.250000000000000, 0.670995700000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.813586980000000, 0.750000000000000, 0.638505820000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.313586980000000, 0.750000000000000, 0.861494180000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.070515380000000, 0.250000000000000, 0.829004300000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.929484620000000, 0.750000000000000, 0.170995700000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.686413020000000, 0.250000000000000, 0.138505820000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.186413020000000, 0.250000000000000, 0.361494180000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.429484620000000, 0.750000000000000, 0.329004300000000 ] mass: 15.999400 reduced_to: 16supercell: lattice: - [ 10.738014890000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.499411880000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.934147690000000 ] # c points: - symbol: Y # 1 coordinates: [ 0.357351640000000, 0.083333333333333, 0.202763433333333 ] mass: 88.905850 reduced_to: 1 - symbol: Y # 2 coordinates: [ 0.357351640000000, 0.416666666666667, 0.202763433333333 ] mass: 88.905850 reduced_to: 1 - symbol: Y # 3 coordinates: [ 0.357351640000000, 0.750000000000000, 0.202763433333333 ] mass: 88.905850 reduced_to: 1 - symbol: Y # 4 coordinates: [ 0.357351640000000, 0.083333333333333, 0.536096766666667 ] mass: 88.905850 reduced_to: 1 - symbol: Y # 5 coordinates: [ 0.357351640000000, 0.416666666666667, 0.536096766666667 ] mass: 88.905850 reduced_to: 1 - symbol: Y # 6 coordinates: [ 0.357351640000000, 0.750000000000000, 0.536096766666667 ] mass: 88.905850 reduced_to: 1 - symbol: Y # 7 coordinates: [ 0.357351640000000, 0.083333333333333, 0.869430100000000 ] mass: 88.905850 reduced_to: 1 - symbol: Y # 8 coordinates: [ 0.357351640000000, 0.416666666666667, 0.869430100000000 ] mass: 88.905850 reduced_to: 1 - symbol: Y # 9 coordinates: [ 0.357351640000000, 0.750000000000000, 0.869430100000000 ] mass: 88.905850 reduced_to: 1 - symbol: Y # 10 coordinates: [ 0.857351640000000, 0.083333333333333, 0.297236566666667 ] mass: 88.905850 reduced_to: 10 - symbol: Y # 11 coordinates: [ 0.857351640000000, 0.416666666666667, 0.297236566666667 ] mass: 88.905850 reduced_to: 10 - symbol: Y # 12 coordinates: [ 0.857351640000000, 0.750000000000000, 0.297236566666667 ] mass: 88.905850 reduced_to: 10 - symbol: Y # 13 coordinates: [ 0.857351640000000, 0.083333333333333, 0.630569900000000 ] mass: 88.905850 reduced_to: 10 - symbol: Y # 14 coordinates: [ 0.857351640000000, 0.416666666666667, 0.630569900000000 ] mass: 88.905850 reduced_to: 10 - symbol: Y # 15 coordinates: [ 0.857351640000000, 0.750000000000000, 0.630569900000000 ] mass: 88.905850 reduced_to: 10 - symbol: Y # 16 coordinates: [ 0.857351640000000, 0.083333333333333, 0.963903233333333 ] mass: 88.905850 reduced_to: 10 - symbol: Y # 17 coordinates: [ 0.857351640000000, 0.416666666666667, 0.963903233333333 ] mass: 88.905850 reduced_to: 10 - symbol: Y # 18 coordinates: [ 0.857351640000000, 0.750000000000000, 0.963903233333333 ] mass: 88.905850 reduced_to: 10 - symbol: Y # 19 coordinates: [ 0.142648360000000, 0.250000000000000, 0.036096766666667 ] mass: 88.905850 reduced_to: 19 - symbol: Y # 20 coordinates: [ 0.142648360000000, 0.583333333333333, 0.036096766666667 ] mass: 88.905850 reduced_to: 19 - symbol: Y # 21 coordinates: [ 0.142648360000000, 0.916666666666667, 0.036096766666667 ] mass: 88.905850 reduced_to: 19 - symbol: Y # 22 coordinates: [ 0.142648360000000, 0.250000000000000, 0.369430100000000 ] mass: 88.905850 reduced_to: 19 - symbol: Y # 23 coordinates: [ 0.142648360000000, 0.583333333333333, 0.369430100000000 ] mass: 88.905850 reduced_to: 19 - symbol: Y # 24 coordinates: [ 0.142648360000000, 0.916666666666667, 0.369430100000000 ] mass: 88.905850 reduced_to: 19 - symbol: Y # 25 coordinates: [ 0.142648360000000, 0.250000000000000, 0.702763433333333 ] mass: 88.905850 reduced_to: 19 - symbol: Y # 26 coordinates: [ 0.142648360000000, 0.583333333333333, 0.702763433333333 ] mass: 88.905850 reduced_to: 19 - symbol: Y # 27 coordinates: [ 0.142648360000000, 0.916666666666667, 0.702763433333333 ] mass: 88.905850 reduced_to: 19 - symbol: Y # 28 coordinates: [ 0.642648360000000, 0.250000000000000, 0.130569900000000 ] mass: 88.905850 reduced_to: 28 - symbol: Y # 29 coordinates: [ 0.642648360000000, 0.583333333333333, 0.130569900000000 ] mass: 88.905850 reduced_to: 28 - symbol: Y # 30 coordinates: [ 0.642648360000000, 0.916666666666667, 0.130569900000000 ] mass: 88.905850 reduced_to: 28 - symbol: Y # 31 coordinates: [ 0.642648360000000, 0.250000000000000, 0.463903233333333 ] mass: 88.905850 reduced_to: 28 - symbol: Y # 32 coordinates: [ 0.642648360000000, 0.583333333333333, 0.463903233333333 ] mass: 88.905850 reduced_to: 28 - symbol: Y # 33 coordinates: [ 0.642648360000000, 0.916666666666667, 0.463903233333333 ] mass: 88.905850 reduced_to: 28 - symbol: Y # 34 coordinates: [ 0.642648360000000, 0.250000000000000, 0.797236566666667 ] mass: 88.905850 reduced_to: 28 - symbol: Y # 35 coordinates: [ 0.642648360000000, 0.583333333333333, 0.797236566666667 ] mass: 88.905850 reduced_to: 28 - symbol: Y # 36 coordinates: [ 0.642648360000000, 0.916666666666667, 0.797236566666667 ] mass: 88.905850 reduced_to: 28 - symbol: H # 37 coordinates: [ 0.104719470000000, 0.083333333333333, 0.212535936666667 ] mass: 1.007940 reduced_to: 37 - symbol: H # 38 coordinates: [ 0.104719470000000, 0.416666666666667, 0.212535936666667 ] mass: 1.007940 reduced_to: 37 - symbol: H # 39 coordinates: [ 0.104719470000000, 0.750000000000000, 0.212535936666667 ] mass: 1.007940 reduced_to: 37 - symbol: H # 40 coordinates: [ 0.104719470000000, 0.083333333333333, 0.545869270000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 41 coordinates: [ 0.104719470000000, 0.416666666666667, 0.545869270000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 42 coordinates: [ 0.104719470000000, 0.750000000000000, 0.545869270000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 43 coordinates: [ 0.104719470000000, 0.083333333333333, 0.879202603333333 ] mass: 1.007940 reduced_to: 37 - symbol: H # 44 coordinates: [ 0.104719470000000, 0.416666666666667, 0.879202603333333 ] mass: 1.007940 reduced_to: 37 - symbol: H # 45 coordinates: [ 0.104719470000000, 0.750000000000000, 0.879202603333333 ] mass: 1.007940 reduced_to: 37 - symbol: H # 46 coordinates: [ 0.604719470000000, 0.083333333333333, 0.287464063333333 ] mass: 1.007940 reduced_to: 46 - symbol: H # 47 coordinates: [ 0.604719470000000, 0.416666666666667, 0.287464063333333 ] mass: 1.007940 reduced_to: 46 - symbol: H # 48 coordinates: [ 0.604719470000000, 0.750000000000000, 0.287464063333333 ] mass: 1.007940 reduced_to: 46 - symbol: H # 49 coordinates: [ 0.604719470000000, 0.083333333333333, 0.620797396666667 ] mass: 1.007940 reduced_to: 46 - symbol: H # 50 coordinates: [ 0.604719470000000, 0.416666666666667, 0.620797396666667 ] mass: 1.007940 reduced_to: 46 - symbol: H # 51 coordinates: [ 0.604719470000000, 0.750000000000000, 0.620797396666667 ] mass: 1.007940 reduced_to: 46 - symbol: H # 52 coordinates: [ 0.604719470000000, 0.083333333333333, 0.954130730000000 ] mass: 1.007940 reduced_to: 46 - symbol: H # 53 coordinates: [ 0.604719470000000, 0.416666666666667, 0.954130730000000 ] mass: 1.007940 reduced_to: 46 - symbol: H # 54 coordinates: [ 0.604719470000000, 0.750000000000000, 0.954130730000000 ] mass: 1.007940 reduced_to: 46 - symbol: H # 55 coordinates: [ 0.395280530000000, 0.250000000000000, 0.045869270000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 56 coordinates: [ 0.395280530000000, 0.583333333333333, 0.045869270000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 57 coordinates: [ 0.395280530000000, 0.916666666666667, 0.045869270000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 58 coordinates: [ 0.395280530000000, 0.250000000000000, 0.379202603333333 ] mass: 1.007940 reduced_to: 55 - symbol: H # 59 coordinates: [ 0.395280530000000, 0.583333333333333, 0.379202603333333 ] mass: 1.007940 reduced_to: 55 - symbol: H # 60 coordinates: [ 0.395280530000000, 0.916666666666667, 0.379202603333333 ] mass: 1.007940 reduced_to: 55 - symbol: H # 61 coordinates: [ 0.395280530000000, 0.250000000000000, 0.712535936666667 ] mass: 1.007940 reduced_to: 55 - symbol: H # 62 coordinates: [ 0.395280530000000, 0.583333333333333, 0.712535936666667 ] mass: 1.007940 reduced_to: 55 - symbol: H # 63 coordinates: [ 0.395280530000000, 0.916666666666667, 0.712535936666667 ] mass: 1.007940 reduced_to: 55 - symbol: H # 64 coordinates: [ 0.895280530000000, 0.250000000000000, 0.120797396666667 ] mass: 1.007940 reduced_to: 64 - symbol: H # 65 coordinates: [ 0.895280530000000, 0.583333333333333, 0.120797396666667 ] mass: 1.007940 reduced_to: 64 - symbol: H # 66 coordinates: [ 0.895280530000000, 0.916666666666667, 0.120797396666667 ] mass: 1.007940 reduced_to: 64 - symbol: H # 67 coordinates: [ 0.895280530000000, 0.250000000000000, 0.454130730000000 ] mass: 1.007940 reduced_to: 64 - symbol: H # 68 coordinates: [ 0.895280530000000, 0.583333333333333, 0.454130730000000 ] mass: 1.007940 reduced_to: 64 - symbol: H # 69 coordinates: [ 0.895280530000000, 0.916666666666667, 0.454130730000000 ] mass: 1.007940 reduced_to: 64 - symbol: H # 70 coordinates: [ 0.895280530000000, 0.250000000000000, 0.787464063333333 ] mass: 1.007940 reduced_to: 64 - symbol: H # 71 coordinates: [ 0.895280530000000, 0.583333333333333, 0.787464063333333 ] mass: 1.007940 reduced_to: 64 - symbol: H # 72 coordinates: [ 0.895280530000000, 0.916666666666667, 0.787464063333333 ] mass: 1.007940 reduced_to: 64 - symbol: O # 73 coordinates: [ 0.570515380000000, 0.083333333333333, 0.223665233333333 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.570515380000000, 0.416666666666667, 0.223665233333333 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.570515380000000, 0.750000000000000, 0.223665233333333 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.570515380000000, 0.083333333333333, 0.556998566666667 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.570515380000000, 0.416666666666667, 0.556998566666667 ] mass: 15.999400 reduced_to: 73 - symbol: O # 78 coordinates: [ 0.570515380000000, 0.750000000000000, 0.556998566666667 ] mass: 15.999400 reduced_to: 73 - symbol: O # 79 coordinates: [ 0.570515380000000, 0.083333333333333, 0.890331900000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 80 coordinates: [ 0.570515380000000, 0.416666666666667, 0.890331900000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 81 coordinates: [ 0.570515380000000, 0.750000000000000, 0.890331900000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 82 coordinates: [ 0.813586980000000, 0.250000000000000, 0.212835273333333 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.813586980000000, 0.583333333333333, 0.212835273333333 ] mass: 15.999400 reduced_to: 82 - symbol: O # 84 coordinates: [ 0.813586980000000, 0.916666666666667, 0.212835273333333 ] mass: 15.999400 reduced_to: 82 - symbol: O # 85 coordinates: [ 0.813586980000000, 0.250000000000000, 0.546168606666667 ] mass: 15.999400 reduced_to: 82 - symbol: O # 86 coordinates: [ 0.813586980000000, 0.583333333333333, 0.546168606666667 ] mass: 15.999400 reduced_to: 82 - symbol: O # 87 coordinates: [ 0.813586980000000, 0.916666666666667, 0.546168606666667 ] mass: 15.999400 reduced_to: 82 - symbol: O # 88 coordinates: [ 0.813586980000000, 0.250000000000000, 0.879501940000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 89 coordinates: [ 0.813586980000000, 0.583333333333333, 0.879501940000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 90 coordinates: [ 0.813586980000000, 0.916666666666667, 0.879501940000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 91 coordinates: [ 0.313586980000000, 0.250000000000000, 0.287164726666667 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.313586980000000, 0.583333333333333, 0.287164726666667 ] mass: 15.999400 reduced_to: 91 - symbol: O # 93 coordinates: [ 0.313586980000000, 0.916666666666667, 0.287164726666667 ] mass: 15.999400 reduced_to: 91 - symbol: O # 94 coordinates: [ 0.313586980000000, 0.250000000000000, 0.620498060000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 95 coordinates: [ 0.313586980000000, 0.583333333333333, 0.620498060000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 96 coordinates: [ 0.313586980000000, 0.916666666666667, 0.620498060000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 97 coordinates: [ 0.313586980000000, 0.250000000000000, 0.953831393333333 ] mass: 15.999400 reduced_to: 91 - symbol: O # 98 coordinates: [ 0.313586980000000, 0.583333333333333, 0.953831393333333 ] mass: 15.999400 reduced_to: 91 - symbol: O # 99 coordinates: [ 0.313586980000000, 0.916666666666667, 0.953831393333333 ] mass: 15.999400 reduced_to: 91 - symbol: O # 100 coordinates: [ 0.070515380000000, 0.083333333333333, 0.276334766666667 ] mass: 15.999400 reduced_to: 100 - symbol: O # 101 coordinates: [ 0.070515380000000, 0.416666666666667, 0.276334766666667 ] mass: 15.999400 reduced_to: 100 - symbol: O # 102 coordinates: [ 0.070515380000000, 0.750000000000000, 0.276334766666667 ] mass: 15.999400 reduced_to: 100 - symbol: O # 103 coordinates: [ 0.070515380000000, 0.083333333333333, 0.609668100000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 104 coordinates: [ 0.070515380000000, 0.416666666666667, 0.609668100000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 105 coordinates: [ 0.070515380000000, 0.750000000000000, 0.609668100000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 106 coordinates: [ 0.070515380000000, 0.083333333333333, 0.943001433333333 ] mass: 15.999400 reduced_to: 100 - symbol: O # 107 coordinates: [ 0.070515380000000, 0.416666666666667, 0.943001433333333 ] mass: 15.999400 reduced_to: 100 - symbol: O # 108 coordinates: [ 0.070515380000000, 0.750000000000000, 0.943001433333333 ] mass: 15.999400 reduced_to: 100 - symbol: O # 109 coordinates: [ 0.929484620000000, 0.250000000000000, 0.056998566666667 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.929484620000000, 0.583333333333333, 0.056998566666667 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.929484620000000, 0.916666666666667, 0.056998566666667 ] mass: 15.999400 reduced_to: 109 - symbol: O # 112 coordinates: [ 0.929484620000000, 0.250000000000000, 0.390331900000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 113 coordinates: [ 0.929484620000000, 0.583333333333333, 0.390331900000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 114 coordinates: [ 0.929484620000000, 0.916666666666667, 0.390331900000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 115 coordinates: [ 0.929484620000000, 0.250000000000000, 0.723665233333333 ] mass: 15.999400 reduced_to: 109 - symbol: O # 116 coordinates: [ 0.929484620000000, 0.583333333333333, 0.723665233333333 ] mass: 15.999400 reduced_to: 109 - symbol: O # 117 coordinates: [ 0.929484620000000, 0.916666666666667, 0.723665233333333 ] mass: 15.999400 reduced_to: 109 - symbol: O # 118 coordinates: [ 0.686413020000000, 0.083333333333333, 0.046168606666667 ] mass: 15.999400 reduced_to: 118 - symbol: O # 119 coordinates: [ 0.686413020000000, 0.416666666666667, 0.046168606666667 ] mass: 15.999400 reduced_to: 118 - symbol: O # 120 coordinates: [ 0.686413020000000, 0.750000000000000, 0.046168606666667 ] mass: 15.999400 reduced_to: 118 - symbol: O # 121 coordinates: [ 0.686413020000000, 0.083333333333333, 0.379501940000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 122 coordinates: [ 0.686413020000000, 0.416666666666667, 0.379501940000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 123 coordinates: [ 0.686413020000000, 0.750000000000000, 0.379501940000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 124 coordinates: [ 0.686413020000000, 0.083333333333333, 0.712835273333333 ] mass: 15.999400 reduced_to: 118 - symbol: O # 125 coordinates: [ 0.686413020000000, 0.416666666666667, 0.712835273333333 ] mass: 15.999400 reduced_to: 118 - symbol: O # 126 coordinates: [ 0.686413020000000, 0.750000000000000, 0.712835273333333 ] mass: 15.999400 reduced_to: 118 - symbol: O # 127 coordinates: [ 0.186413020000000, 0.083333333333333, 0.120498060000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 128 coordinates: [ 0.186413020000000, 0.416666666666667, 0.120498060000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 129 coordinates: [ 0.186413020000000, 0.750000000000000, 0.120498060000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 130 coordinates: [ 0.186413020000000, 0.083333333333333, 0.453831393333333 ] mass: 15.999400 reduced_to: 127 - symbol: O # 131 coordinates: [ 0.186413020000000, 0.416666666666667, 0.453831393333333 ] mass: 15.999400 reduced_to: 127 - symbol: O # 132 coordinates: [ 0.186413020000000, 0.750000000000000, 0.453831393333333 ] mass: 15.999400 reduced_to: 127 - symbol: O # 133 coordinates: [ 0.186413020000000, 0.083333333333333, 0.787164726666667 ] mass: 15.999400 reduced_to: 127 - symbol: O # 134 coordinates: [ 0.186413020000000, 0.416666666666667, 0.787164726666667 ] mass: 15.999400 reduced_to: 127 - symbol: O # 135 coordinates: [ 0.186413020000000, 0.750000000000000, 0.787164726666667 ] mass: 15.999400 reduced_to: 127 - symbol: O # 136 coordinates: [ 0.429484620000000, 0.250000000000000, 0.109668100000000 ] mass: 15.999400 reduced_to: 136 - symbol: O # 137 coordinates: [ 0.429484620000000, 0.583333333333333, 0.109668100000000 ] mass: 15.999400 reduced_to: 136 - symbol: O # 138 coordinates: [ 0.429484620000000, 0.916666666666667, 0.109668100000000 ] mass: 15.999400 reduced_to: 136 - symbol: O # 139 coordinates: [ 0.429484620000000, 0.250000000000000, 0.443001433333333 ] mass: 15.999400 reduced_to: 136 - symbol: O # 140 coordinates: [ 0.429484620000000, 0.583333333333333, 0.443001433333333 ] mass: 15.999400 reduced_to: 136 - symbol: O # 141 coordinates: [ 0.429484620000000, 0.916666666666667, 0.443001433333333 ] mass: 15.999400 reduced_to: 136 - symbol: O # 142 coordinates: [ 0.429484620000000, 0.250000000000000, 0.776334766666667 ] mass: 15.999400 reduced_to: 136 - symbol: O # 143 coordinates: [ 0.429484620000000, 0.583333333333333, 0.776334766666667 ] mass: 15.999400 reduced_to: 136 - symbol: O # 144 coordinates: [ 0.429484620000000, 0.916666666666667, 0.776334766666667 ] mass: 15.999400 reduced_to: 136born_effective_charge:- # 1 (Y) - [ 3.656873680000000, 0.000000000000000, -0.079727330000000 ] - [ 0.000000000000000, 4.075544540000000, 0.000000000000000 ] - [ 0.026814380000000, 0.000000000000000, 3.262163490000000 ]- # 2 (Y) - [ 3.656873680000000, 0.000000000000000, 0.079727330000000 ] - [ 0.000000000000000, 4.075544540000000, 0.000000000000000 ] - [ -0.026814380000000, 0.000000000000000, 3.262163490000000 ]- # 3 (Y) - [ 3.656873680000000, 0.000000000000000, 0.079727330000000 ] - [ 0.000000000000000, 4.075544540000000, 0.000000000000000 ] - [ -0.026814380000000, 0.000000000000000, 3.262163490000000 ]- # 4 (Y) - [ 3.656873680000000, 0.000000000000000, -0.079727330000000 ] - [ 0.000000000000000, 4.075544540000000, 0.000000000000000 ] - [ 0.026814380000000, 0.000000000000000, 3.262163490000000 ]- # 5 (H) - [ 0.572614830000000, 0.000000000000000, -0.630676640000000 ] - [ 0.000000000000000, 0.231096290000000, 0.000000000000000 ] - [ -0.629943660000000, 0.000000000000000, 1.423340270000000 ]- # 6 (H) - [ 0.572614830000000, 0.000000000000000, 0.630676640000000 ] - [ 0.000000000000000, 0.231096290000000, 0.000000000000000 ] - [ 0.629943660000000, 0.000000000000000, 1.423340270000000 ]- # 7 (H) - [ 0.572614830000000, 0.000000000000000, 0.630676640000000 ] - [ 0.000000000000000, 0.231096290000000, 0.000000000000000 ] - [ 0.629943660000000, 0.000000000000000, 1.423340270000000 ]- # 8 (H) - [ 0.572614830000000, 0.000000000000000, -0.630676640000000 ] - [ 0.000000000000000, 0.231096290000000, 0.000000000000000 ] - [ -0.629943660000000, 0.000000000000000, 1.423340270000000 ]- # 9 (O) - [ -2.197122030000000, 0.000000000000000, -0.221502690000000 ] - [ 0.000000000000000, -1.772561890000000, 0.000000000000000 ] - [ -0.230165850000000, 0.000000000000000, -2.080135760000000 ]- # 10 (O) - [ -2.032366480000000, 0.000000000000000, -0.442848930000000 ] - [ 0.000000000000000, -2.534078940000000, 0.000000000000000 ] - [ -0.477933290000000, 0.000000000000000, -2.605368000000000 ]- # 11 (O) - [ -2.032366480000000, 0.000000000000000, 0.442848930000000 ] - [ 0.000000000000000, -2.534078940000000, 0.000000000000000 ] - [ 0.477933290000000, 0.000000000000000, -2.605368000000000 ]- # 12 (O) - [ -2.197122030000000, 0.000000000000000, 0.221502690000000 ] - [ 0.000000000000000, -1.772561890000000, 0.000000000000000 ] - [ 0.230165850000000, 0.000000000000000, -2.080135760000000 ]- # 13 (O) - [ -2.197122030000000, 0.000000000000000, 0.221502690000000 ] - [ 0.000000000000000, -1.772561890000000, 0.000000000000000 ] - [ 0.230165850000000, 0.000000000000000, -2.080135760000000 ]- # 14 (O) - [ -2.032366480000000, 0.000000000000000, 0.442848930000000 ] - [ 0.000000000000000, -2.534078940000000, 0.000000000000000 ] - [ 0.477933290000000, 0.000000000000000, -2.605368000000000 ]- # 15 (O) - [ -2.032366480000000, 0.000000000000000, -0.442848930000000 ] - [ 0.000000000000000, -2.534078940000000, 0.000000000000000 ] - [ -0.477933290000000, 0.000000000000000, -2.605368000000000 ]- # 16 (O) - [ -2.197122030000000, 0.000000000000000, -0.221502690000000 ] - [ 0.000000000000000, -1.772561890000000, 0.000000000000000 ] - [ -0.230165850000000, 0.000000000000000, -2.080135760000000 ]dielectric_constant: - [ 3.537488300000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.669915890000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.542415530000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1443282500000000, 0.0000000000000000, -0.0038836900000000 ] - [ -0.0110677700000000, 0.0007025200000000, 0.0029703900000000 ] - [ -0.0110677700000000, -0.0007025200000000, 0.0029703900000000 ] - [ -0.0034044100000000, 0.0000000000000000, -0.0007177900000000 ] - [ -0.0021832100000000, 0.0000314800000000, -0.0006167700000000 ] - [ -0.0021832100000000, -0.0000314800000000, -0.0006167700000000 ] - [ -0.0034053700000000, 0.0000000000000000, 0.0000073000000000 ] - [ -0.0021837200000000, -0.0000401300000000, -0.0003959600000000 ] - [ -0.0021837200000000, 0.0000401300000000, -0.0003959600000000 ] - [ 0.0155184900000000, 0.0000000000000000, 0.0002651700000000 ] - [ 0.0027734800000000, 0.0005641700000000, 0.0011725500000000 ] - [ 0.0027734800000000, -0.0005641700000000, 0.0011725500000000 ] - [ 0.0002827400000000, 0.0000000000000000, 0.0007138300000000 ] - [ -0.0000789400000000, 0.0000869900000000, 0.0005109900000000 ] - [ -0.0000789400000000, -0.0000869900000000, 0.0005109900000000 ] - [ 0.0055350300000000, 0.0000000000000000, -0.0006919800000000 ] - [ 0.0026552300000000, -0.0004684400000000, -0.0004336400000000 ] - [ 0.0026552300000000, 0.0004684400000000, -0.0004336400000000 ] - [ 0.0041756800000000, -0.0159337400000000, 0.0132948700000000 ] - [ 0.0008717400000000, 0.0000000000000000, 0.0007199800000000 ] - [ 0.0041756800000000, 0.0159337400000000, 0.0132948700000000 ] - [ 0.0042288000000000, -0.0087113300000000, -0.0104501100000000 ] - [ 0.0008783200000000, 0.0000000000000000, -0.0007519800000000 ] - [ 0.0042288000000000, 0.0087113300000000, -0.0104501100000000 ] - [ 0.0009017600000000, -0.0002671900000000, -0.0002023500000000 ] - [ 0.0009079200000000, 0.0000000000000000, -0.0001406400000000 ] - [ 0.0009017600000000, 0.0002671900000000, -0.0002023500000000 ] - [ 0.0177005200000000, 0.0178981800000000, -0.0109806300000000 ] - [ 0.0013734500000000, 0.0000000000000000, -0.0001595800000000 ] - [ 0.0177005200000000, -0.0178981800000000, -0.0109806300000000 ] - [ 0.0007105400000000, 0.0029407700000000, 0.0041656700000000 ] - [ 0.0004323600000000, 0.0000000000000000, 0.0013382600000000 ] - [ 0.0007105400000000, -0.0029407700000000, 0.0041656700000000 ] - [ 0.0008708800000000, 0.0003458100000000, -0.0004641800000000 ] - [ 0.0007681400000000, 0.0000000000000000, -0.0001802600000000 ] - [ 0.0008708800000000, -0.0003458100000000, -0.0004641800000000 ] - [ 0.0151809900000000, 0.0000000000000000, -0.0055466200000000 ] - [ 0.0011865500000000, -0.0006215000000000, -0.0007246700000000 ] - [ 0.0011865500000000, 0.0006215000000000, -0.0007246700000000 ] - [ 0.0013822000000000, 0.0000000000000000, -0.0014132400000000 ] - [ 0.0010011300000000, 0.0000053400000000, -0.0007711200000000 ] - [ 0.0010011300000000, -0.0000053400000000, -0.0007711200000000 ] - [ -0.0002983500000000, 0.0000000000000000, 0.0008122200000000 ] - [ 0.0002797700000000, 0.0001104200000000, 0.0002430800000000 ] - [ 0.0002797700000000, -0.0001104200000000, 0.0002430800000000 ] - [ 0.0122127500000000, 0.0000000000000000, 0.0142383500000000 ] - [ 0.0012942400000000, 0.0004101700000000, 0.0014136600000000 ] - [ 0.0012942400000000, -0.0004101700000000, 0.0014136600000000 ] - [ 0.0008725300000000, 0.0000000000000000, 0.0004679700000000 ] - [ 0.0007833600000000, -0.0000130700000000, 0.0003836100000000 ] - [ 0.0007833600000000, 0.0000130700000000, 0.0003836100000000 ] - [ -0.0000222300000000, 0.0000000000000000, -0.0019033300000000 ] - [ 0.0003042100000000, 0.0000777400000000, -0.0007274100000000 ] - [ 0.0003042100000000, -0.0000777400000000, -0.0007274100000000 ] - [ -0.0046630700000000, -0.0006157800000000, -0.0055688800000000 ] - [ -0.0012631400000000, 0.0000000000000000, -0.0008805400000000 ] - [ -0.0046630700000000, 0.0006157800000000, -0.0055688800000000 ] - [ -0.0038934900000000, 0.0010945800000000, -0.0027525400000000 ] - [ -0.0010566000000000, 0.0000000000000000, -0.0004687300000000 ] - [ -0.0038934900000000, -0.0010945800000000, -0.0027525400000000 ] - [ -0.0008501100000000, -0.0000114000000000, -0.0004863100000000 ] - [ -0.0008130100000000, 0.0000000000000000, -0.0004105000000000 ] - [ -0.0008501100000000, 0.0000114000000000, -0.0004863100000000 ] - [ 0.0010496100000000, -0.0003529400000000, -0.0014808700000000 ] - [ -0.0001460400000000, 0.0000000000000000, -0.0002033500000000 ] - [ 0.0010496100000000, 0.0003529400000000, -0.0014808700000000 ] - [ -0.0003152100000000, 0.0002363700000000, -0.0002644200000000 ] - [ -0.0005774100000000, 0.0000000000000000, 0.0001972900000000 ] - [ -0.0003152100000000, -0.0002363700000000, -0.0002644200000000 ] - [ -0.0005088500000000, -0.0000165100000000, 0.0000995000000000 ] - [ -0.0005500800000000, 0.0000000000000000, 0.0001555800000000 ] - [ -0.0005088500000000, 0.0000165100000000, 0.0000995000000000 ] - [ 0.0254737000000000, 0.0000000000000000, 0.0034985800000000 ] - [ 0.0006032000000000, -0.0033588600000000, -0.0008847100000000 ] - [ 0.0006032000000000, 0.0033588600000000, -0.0008847100000000 ] - [ 0.0009202300000000, 0.0000000000000000, -0.0007626000000000 ] - [ 0.0005828900000000, -0.0002467200000000, -0.0004500000000000 ] - [ 0.0005828900000000, 0.0002467200000000, -0.0004500000000000 ] - [ 0.0008981400000000, 0.0000000000000000, 0.0021967200000000 ] - [ 0.0005830200000000, -0.0001113600000000, 0.0010502700000000 ] - [ 0.0005830200000000, 0.0001113600000000, 0.0010502700000000 ] - [ -0.0064149600000000, -0.0015356200000000, -0.0017916800000000 ] - [ -0.0013350700000000, 0.0000000000000000, -0.0009726000000000 ] - [ -0.0064149600000000, 0.0015356200000000, -0.0017916800000000 ] - [ -0.0008094200000000, -0.0002913200000000, -0.0011987500000000 ] - [ -0.0001846700000000, 0.0000000000000000, -0.0010142400000000 ] - [ -0.0008094200000000, 0.0002913200000000, -0.0011987500000000 ] - [ -0.0005539000000000, -0.0001204800000000, -0.0005049100000000 ] - [ -0.0004140800000000, 0.0000000000000000, -0.0005459600000000 ] - [ -0.0005539000000000, 0.0001204800000000, -0.0005049100000000 ] - [ 0.0146275400000000, -0.0068128100000000, -0.0055715900000000 ] - [ 0.0016829900000000, 0.0000000000000000, 0.0000998300000000 ] - [ 0.0146275400000000, 0.0068128100000000, -0.0055715900000000 ] - [ 0.0006187300000000, 0.0001342200000000, 0.0009186700000000 ] - [ 0.0005644700000000, 0.0000000000000000, 0.0008365700000000 ] - [ 0.0006187300000000, -0.0001342200000000, 0.0009186700000000 ] - [ 0.0059695900000000, 0.0011559800000000, 0.0014849700000000 ] - [ 0.0014754900000000, 0.0000000000000000, 0.0006962400000000 ] - [ 0.0059695900000000, -0.0011559800000000, 0.0014849700000000 ] - [ -0.0149977000000000, 0.0000000000000000, 0.0096294800000000 ] - [ -0.0015981100000000, 0.0014493900000000, 0.0005485400000000 ] - [ -0.0015981100000000, -0.0014493900000000, 0.0005485400000000 ] - [ -0.0007920700000000, 0.0000000000000000, 0.0009300200000000 ] - [ -0.0004707300000000, 0.0000343900000000, 0.0003502000000000 ] - [ -0.0004707300000000, -0.0000343900000000, 0.0003502000000000 ] - [ -0.0024036800000000, 0.0000000000000000, -0.0038038000000000 ] - [ -0.0015030800000000, 0.0017807000000000, -0.0019464000000000 ] - [ -0.0015030800000000, -0.0017807000000000, -0.0019464000000000 ] - [ -0.0044841900000000, 0.0009034800000000, 0.0004357100000000 ] - [ -0.0016598500000000, 0.0000000000000000, 0.0004310500000000 ] - [ -0.0044841900000000, -0.0009034800000000, 0.0004357100000000 ] - [ -0.0028761900000000, 0.0004296800000000, 0.0007656000000000 ] - [ -0.0011617200000000, 0.0000000000000000, -0.0000756500000000 ] - [ -0.0028761900000000, -0.0004296800000000, 0.0007656000000000 ] - [ -0.0004847500000000, 0.0000326000000000, 0.0001037000000000 ] - [ -0.0004131100000000, 0.0000000000000000, 0.0000600700000000 ] - [ -0.0004847500000000, -0.0000326000000000, 0.0001037000000000 ] - [ -0.0057264600000000, 0.0000000000000000, 0.0056726500000000 ] - [ -0.0025229900000000, -0.0033080300000000, 0.0023987400000000 ] - [ -0.0025229900000000, 0.0033080300000000, 0.0023987400000000 ] - [ -0.0079887100000000, 0.0000000000000000, -0.0098306100000000 ] - [ -0.0011920500000000, -0.0007880700000000, -0.0016950700000000 ] - [ -0.0011920500000000, 0.0007880700000000, -0.0016950700000000 ] - [ -0.0005294500000000, 0.0000000000000000, -0.0006270600000000 ] - [ -0.0004333700000000, -0.0000761400000000, -0.0006310900000000 ] - [ -0.0004333700000000, 0.0000761400000000, -0.0006310900000000 ] - [ 0.0342737500000000, 0.0000000000000000, 0.0146780400000000 ] - [ 0.0017272300000000, 0.0037080500000000, 0.0014320100000000 ] - [ 0.0017272300000000, -0.0037080500000000, 0.0014320100000000 ] - [ 0.0007340200000000, 0.0000000000000000, 0.0044599200000000 ] - [ 0.0003190800000000, 0.0014855500000000, 0.0023511600000000 ] - [ 0.0003190800000000, -0.0014855500000000, 0.0023511600000000 ] - [ 0.0005110400000000, 0.0000000000000000, 0.0000564900000000 ] - [ 0.0001373100000000, 0.0000175100000000, 0.0004117800000000 ] - [ 0.0001373100000000, -0.0000175100000000, 0.0004117800000000 ] - [ 0.0138052700000000, 0.0012530200000000, -0.0006418500000000 ] - [ 0.0022838100000000, 0.0000000000000000, -0.0001907100000000 ] - [ 0.0138052700000000, -0.0012530200000000, -0.0006418500000000 ] - [ 0.0031821300000000, -0.0008469200000000, 0.0015663700000000 ] - [ 0.0008662400000000, 0.0000000000000000, -0.0000057400000000 ] - [ 0.0031821300000000, 0.0008469200000000, 0.0015663700000000 ] - [ 0.0005511300000000, -0.0000280300000000, 0.0000826700000000 ] - [ 0.0005014300000000, 0.0000000000000000, -0.0000180300000000 ] - [ 0.0005511300000000, 0.0000280300000000, 0.0000826700000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1421736100000000, 0.0000000000000000, 0.0047605300000000 ] - [ 0.0094620200000000, -0.0008495300000000, -0.0034892400000000 ] - [ 0.0094620200000000, 0.0008495300000000, -0.0034892400000000 ] - [ 0.0018272700000000, 0.0000000000000000, 0.0000989300000000 ] - [ 0.0006082300000000, -0.0000400700000000, 0.0000137100000000 ] - [ 0.0006082300000000, 0.0000400700000000, 0.0000137100000000 ] - [ 0.0018266600000000, 0.0000000000000000, -0.0005815500000000 ] - [ 0.0006073800000000, 0.0000422700000000, -0.0001801700000000 ] - [ 0.0006073800000000, -0.0000422700000000, -0.0001801700000000 ] - [ -0.0171057500000000, 0.0000000000000000, 0.0003293800000000 ] - [ -0.0043309700000000, -0.0005409000000000, -0.0005831700000000 ] - [ -0.0043309700000000, 0.0005409000000000, -0.0005831700000000 ] - [ -0.0018482200000000, 0.0000000000000000, -0.0001323800000000 ] - [ -0.0014888600000000, -0.0000838800000000, 0.0000668000000000 ] - [ -0.0014888600000000, 0.0000838800000000, 0.0000668000000000 ] - [ -0.0070815700000000, 0.0000000000000000, 0.0012582700000000 ] - [ -0.0042154800000000, 0.0004734700000000, 0.0010089400000000 ] - [ -0.0042154800000000, -0.0004734700000000, 0.0010089400000000 ] - [ -0.0025966900000000, 0.0159660900000000, -0.0139315100000000 ] - [ 0.0007128900000000, 0.0000000000000000, -0.0012975900000000 ] - [ -0.0025966900000000, -0.0159660900000000, -0.0139315100000000 ] - [ -0.0025434900000000, 0.0087850700000000, 0.0099060400000000 ] - [ 0.0007195600000000, 0.0000000000000000, 0.0001663200000000 ] - [ -0.0025434900000000, -0.0087850700000000, 0.0099060400000000 ] - [ 0.0006756200000000, 0.0002648500000000, -0.0003810800000000 ] - [ 0.0006697800000000, 0.0000000000000000, -0.0004415500000000 ] - [ 0.0006756200000000, -0.0002648500000000, -0.0003810800000000 ] - [ -0.0159809200000000, -0.0176902600000000, 0.0114284700000000 ] - [ 0.0001786300000000, 0.0000000000000000, 0.0007413500000000 ] - [ -0.0159809200000000, 0.0176902600000000, 0.0114284700000000 ] - [ 0.0008316300000000, -0.0029099600000000, -0.0035504400000000 ] - [ 0.0011275800000000, 0.0000000000000000, -0.0007479500000000 ] - [ 0.0008316300000000, 0.0029099600000000, -0.0035504400000000 ] - [ 0.0006974600000000, -0.0003444200000000, 0.0010334400000000 ] - [ 0.0008005100000000, 0.0000000000000000, 0.0007507300000000 ] - [ 0.0006974600000000, 0.0003444200000000, 0.0010334400000000 ] - [ -0.0139232000000000, 0.0000000000000000, 0.0048986800000000 ] - [ 0.0002673800000000, 0.0006263300000000, 0.0001232700000000 ] - [ 0.0002673800000000, -0.0006263300000000, 0.0001232700000000 ] - [ 0.0000694100000000, 0.0000000000000000, 0.0007945000000000 ] - [ 0.0004495000000000, -0.0000010000000000, 0.0001574900000000 ] - [ 0.0004495000000000, 0.0000010000000000, 0.0001574900000000 ] - [ 0.0017459300000000, 0.0000000000000000, -0.0014368800000000 ] - [ 0.0011694500000000, -0.0001076900000000, -0.0008653600000000 ] - [ 0.0011694500000000, 0.0001076900000000, -0.0008653600000000 ] - [ -0.0105181200000000, 0.0000000000000000, -0.0134504000000000 ] - [ 0.0001529100000000, -0.0004033300000000, -0.0008057000000000 ] - [ 0.0001529100000000, 0.0004033300000000, -0.0008057000000000 ] - [ 0.0005751200000000, 0.0000000000000000, 0.0001505600000000 ] - [ 0.0006638400000000, 0.0000165700000000, 0.0002339400000000 ] - [ 0.0006638400000000, -0.0000165700000000, 0.0002339400000000 ] - [ 0.0014577600000000, 0.0000000000000000, 0.0024943100000000 ] - [ 0.0011370100000000, -0.0000734300000000, 0.0013273700000000 ] - [ 0.0011370100000000, 0.0000734300000000, 0.0013273700000000 ] - [ 0.0032115100000000, 0.0005995900000000, 0.0049635900000000 ] - [ -0.0001799200000000, 0.0000000000000000, 0.0002766400000000 ] - [ 0.0032115100000000, -0.0005995900000000, 0.0049635900000000 ] - [ 0.0023970000000000, -0.0011056500000000, 0.0020512600000000 ] - [ -0.0003970300000000, 0.0000000000000000, -0.0001599500000000 ] - [ 0.0023970000000000, 0.0011056500000000, 0.0020512600000000 ] - [ -0.0006008500000000, 0.0000080100000000, -0.0001222400000000 ] - [ -0.0006374500000000, 0.0000000000000000, -0.0001967100000000 ] - [ -0.0006008500000000, -0.0000080100000000, -0.0001222400000000 ] - [ -0.0024932800000000, 0.0003511900000000, 0.0020911000000000 ] - [ -0.0012997400000000, 0.0000000000000000, 0.0008240300000000 ] - [ -0.0024932800000000, -0.0003511900000000, 0.0020911000000000 ] - [ -0.0011310400000000, -0.0002416000000000, 0.0008754700000000 ] - [ -0.0008688100000000, 0.0000000000000000, 0.0004118700000000 ] - [ -0.0011310400000000, 0.0002416000000000, 0.0008754700000000 ] - [ -0.0009377600000000, 0.0000130800000000, 0.0005012700000000 ] - [ -0.0008963500000000, 0.0000000000000000, 0.0004442800000000 ] - [ -0.0009377600000000, -0.0000130800000000, 0.0005012700000000 ] - [ -0.0231613400000000, 0.0000000000000000, -0.0030627600000000 ] - [ -0.0006030200000000, 0.0033345200000000, 0.0009850400000000 ] - [ -0.0006030200000000, -0.0033345200000000, 0.0009850400000000 ] - [ -0.0009255800000000, 0.0000000000000000, 0.0008169700000000 ] - [ -0.0005971900000000, 0.0002430200000000, 0.0005057300000000 ] - [ -0.0005971900000000, -0.0002430200000000, 0.0005057300000000 ] - [ -0.0009023600000000, 0.0000000000000000, -0.0021624800000000 ] - [ -0.0006022000000000, 0.0001124900000000, -0.0010395400000000 ] - [ -0.0006022000000000, -0.0001124900000000, -0.0010395400000000 ] - [ 0.0069156200000000, 0.0015152700000000, 0.0002903900000000 ] - [ 0.0018388700000000, 0.0000000000000000, -0.0005276700000000 ] - [ 0.0069156200000000, -0.0015152700000000, 0.0002903900000000 ] - [ 0.0013311700000000, 0.0002906900000000, -0.0003912800000000 ] - [ 0.0006925700000000, 0.0000000000000000, -0.0005666900000000 ] - [ 0.0013311700000000, -0.0002906900000000, -0.0003912800000000 ] - [ 0.0010779200000000, 0.0001092800000000, -0.0010218200000000 ] - [ 0.0009199300000000, 0.0000000000000000, -0.0009847500000000 ] - [ 0.0010779200000000, -0.0001092800000000, -0.0010218200000000 ] - [ -0.0140834000000000, 0.0068900600000000, 0.0071047500000000 ] - [ -0.0011816500000000, 0.0000000000000000, 0.0014110800000000 ] - [ -0.0140834000000000, -0.0068900600000000, 0.0071047500000000 ] - [ -0.0000964900000000, -0.0001399700000000, 0.0006273900000000 ] - [ -0.0000590400000000, 0.0000000000000000, 0.0007091400000000 ] - [ -0.0000964900000000, 0.0001399700000000, 0.0006273900000000 ] - [ -0.0054532700000000, -0.0011540100000000, 0.0000978700000000 ] - [ -0.0009691700000000, 0.0000000000000000, 0.0008798300000000 ] - [ -0.0054532700000000, 0.0011540100000000, 0.0000978700000000 ] - [ 0.0151113300000000, 0.0000000000000000, -0.0097912100000000 ] - [ 0.0015410400000000, -0.0014502000000000, -0.0006589800000000 ] - [ 0.0015410400000000, 0.0014502000000000, -0.0006589800000000 ] - [ 0.0007693500000000, 0.0000000000000000, -0.0009393100000000 ] - [ 0.0004395400000000, -0.0000329800000000, -0.0003487500000000 ] - [ 0.0004395400000000, 0.0000329800000000, -0.0003487500000000 ] - [ 0.0023748600000000, 0.0000000000000000, 0.0037428800000000 ] - [ 0.0014706900000000, -0.0017849100000000, 0.0018914900000000 ] - [ 0.0014706900000000, 0.0017849100000000, 0.0018914900000000 ] - [ 0.0044966700000000, -0.0009034000000000, -0.0003688600000000 ] - [ 0.0016704000000000, 0.0000000000000000, -0.0003755200000000 ] - [ 0.0044966700000000, 0.0009034000000000, -0.0003688600000000 ] - [ 0.0028781400000000, -0.0004452100000000, -0.0007761700000000 ] - [ 0.0011659300000000, 0.0000000000000000, 0.0000893200000000 ] - [ 0.0028781400000000, 0.0004452100000000, -0.0007761700000000 ] - [ 0.0005083500000000, -0.0000330100000000, 0.0000039600000000 ] - [ 0.0004287800000000, 0.0000000000000000, 0.0000362500000000 ] - [ 0.0005083500000000, 0.0000330100000000, 0.0000039600000000 ] - [ 0.0051861000000000, 0.0000000000000000, -0.0072021600000000 ] - [ 0.0019941900000000, 0.0032758000000000, -0.0039632100000000 ] - [ 0.0019941900000000, -0.0032758000000000, -0.0039632100000000 ] - [ 0.0074322700000000, 0.0000000000000000, 0.0081922300000000 ] - [ 0.0006710000000000, 0.0007884500000000, 0.0001533300000000 ] - [ 0.0006710000000000, -0.0007884500000000, 0.0001533300000000 ] - [ 0.0000220100000000, 0.0000000000000000, -0.0008684500000000 ] - [ -0.0000864200000000, 0.0000716600000000, -0.0008640900000000 ] - [ -0.0000864200000000, -0.0000716600000000, -0.0008640900000000 ] - [ -0.0369717200000000, 0.0000000000000000, -0.0147761600000000 ] - [ -0.0022748800000000, -0.0037082700000000, 0.0000872100000000 ] - [ -0.0022748800000000, 0.0037082700000000, 0.0000872100000000 ] - [ -0.0012605800000000, 0.0000000000000000, -0.0028706200000000 ] - [ -0.0008503600000000, -0.0014850800000000, -0.0007576900000000 ] - [ -0.0008503600000000, 0.0014850800000000, -0.0007576900000000 ] - [ -0.0010176100000000, 0.0000000000000000, 0.0014459800000000 ] - [ -0.0006573600000000, -0.0000210200000000, 0.0010901600000000 ] - [ -0.0006573600000000, 0.0000210200000000, 0.0010901600000000 ] - [ -0.0137646000000000, -0.0012621000000000, 0.0006253900000000 ] - [ -0.0022475700000000, 0.0000000000000000, 0.0001547700000000 ] - [ -0.0137646000000000, 0.0012621000000000, 0.0006253900000000 ] - [ -0.0031130000000000, 0.0008490600000000, -0.0015598900000000 ] - [ -0.0008373500000000, 0.0000000000000000, -0.0000404500000000 ] - [ -0.0031130000000000, -0.0008490600000000, -0.0015598900000000 ] - [ -0.0005187700000000, 0.0000272900000000, -0.0001839400000000 ] - [ -0.0004769400000000, 0.0000000000000000, -0.0000691200000000 ] - [ -0.0005187700000000, -0.0000272900000000, -0.0001839400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005355400000000, -0.1741203000000000, -0.0011933900000000 ] - [ -0.0015674500000000, 0.0438968500000000, -0.0017236000000000 ] - [ -0.0000138900000000, 0.0433747100000000, 0.0011489200000000 ] - [ -0.0007874100000000, -0.0058328900000000, -0.0002903100000000 ] - [ -0.0007472500000000, 0.0029050500000000, 0.0026293900000000 ] - [ -0.0008291700000000, 0.0029046000000000, -0.0032050300000000 ] - [ -0.0007879000000000, -0.0058325000000000, -0.0002810700000000 ] - [ -0.0008215700000000, 0.0029007200000000, -0.0026275600000000 ] - [ -0.0007511400000000, 0.0029083900000000, 0.0020466500000000 ] - [ -0.0007901400000000, -0.0039473600000000, 0.0002805500000000 ] - [ -0.0013416100000000, 0.0020015400000000, 0.0005996500000000 ] - [ -0.0002355300000000, 0.0020182400000000, -0.0000237100000000 ] - [ -0.0007875400000000, -0.0011823300000000, 0.0002896400000000 ] - [ -0.0008725200000000, 0.0005899800000000, 0.0006340400000000 ] - [ -0.0007025500000000, 0.0005927700000000, -0.0000519700000000 ] - [ -0.0007828500000000, -0.0014157300000000, 0.0002994000000000 ] - [ -0.0003158300000000, 0.0007016900000000, -0.0005533400000000 ] - [ -0.0012569100000000, 0.0007114000000000, 0.0011399800000000 ] - [ -0.0079766500000000, -0.0023877900000000, -0.0065445100000000 ] - [ 0.0007795300000000, 0.0070109700000000, -0.0003087600000000 ] - [ 0.0095199100000000, -0.0022633000000000, 0.0059652300000000 ] - [ -0.0151891900000000, -0.0023462700000000, 0.0121315900000000 ] - [ 0.0007774600000000, 0.0070114200000000, -0.0002795700000000 ] - [ 0.0167080900000000, -0.0023050300000000, -0.0126784200000000 ] - [ 0.0005198300000000, -0.0006430100000000, -0.0002605200000000 ] - [ 0.0007867100000000, 0.0012870100000000, -0.0002864200000000 ] - [ 0.0010524100000000, -0.0006387900000000, -0.0003118100000000 ] - [ 0.0186003300000000, -0.0021469500000000, -0.0007477100000000 ] - [ 0.0007986500000000, 0.0072570800000000, 0.0002782400000000 ] - [ -0.0169876500000000, -0.0020642100000000, 0.0013296300000000 ] - [ 0.0037186700000000, -0.0014631100000000, 0.0019382700000000 ] - [ 0.0007905900000000, 0.0030430000000000, 0.0002965500000000 ] - [ -0.0021313100000000, -0.0014403100000000, -0.0013601700000000 ] - [ 0.0011326900000000, -0.0006643400000000, -0.0001288000000000 ] - [ 0.0007887000000000, 0.0013244700000000, 0.0002895300000000 ] - [ 0.0004435800000000, -0.0006604300000000, 0.0007112400000000 ] - [ 0.0007624000000000, -0.0030563000000000, -0.0003305800000000 ] - [ -0.0004086000000000, 0.0007933500000000, 0.0000966000000000 ] - [ 0.0018488000000000, 0.0007892200000000, -0.0006948100000000 ] - [ 0.0007229800000000, -0.0000495900000000, -0.0003036600000000 ] - [ 0.0001987500000000, 0.0000318100000000, 0.0007569400000000 ] - [ 0.0012465000000000, 0.0000276600000000, -0.0013607900000000 ] - [ 0.0007217000000000, -0.0001610800000000, -0.0003069800000000 ] - [ 0.0007326900000000, 0.0000886100000000, -0.0005013600000000 ] - [ 0.0007151200000000, 0.0000845800000000, -0.0001169900000000 ] - [ 0.0007042800000000, -0.0003802400000000, 0.0002735700000000 ] - [ 0.0019052700000000, 0.0003044600000000, 0.0020880900000000 ] - [ -0.0004476500000000, 0.0003018900000000, -0.0014699300000000 ] - [ 0.0007244700000000, 0.0001072800000000, 0.0003112400000000 ] - [ 0.0008318600000000, -0.0000534900000000, 0.0006163200000000 ] - [ 0.0006179900000000, -0.0000566300000000, 0.0000064300000000 ] - [ 0.0007241200000000, -0.0006556300000000, 0.0003067500000000 ] - [ 0.0008803900000000, 0.0003287200000000, -0.0003383600000000 ] - [ 0.0005664700000000, 0.0003253300000000, 0.0009456100000000 ] - [ -0.0054781500000000, 0.0006812700000000, -0.0114854200000000 ] - [ -0.0007263100000000, 0.0006063500000000, -0.0003114500000000 ] - [ 0.0040241200000000, 0.0006579400000000, 0.0107750600000000 ] - [ 0.0054950900000000, 0.0004520700000000, 0.0124300800000000 ] - [ -0.0007200300000000, 0.0007429500000000, -0.0003029700000000 ] - [ -0.0069257400000000, 0.0004478100000000, -0.0129936500000000 ] - [ -0.0007181500000000, 0.0000082300000000, -0.0002389100000000 ] - [ -0.0007242300000000, -0.0000210400000000, -0.0003009600000000 ] - [ -0.0007300600000000, 0.0000116300000000, -0.0003630000000000 ] - [ -0.0005591900000000, -0.0001528800000000, -0.0000183900000000 ] - [ -0.0007243900000000, 0.0002861500000000, 0.0003093500000000 ] - [ -0.0008869200000000, -0.0001461300000000, 0.0006368000000000 ] - [ -0.0009278300000000, -0.0000402700000000, 0.0009819200000000 ] - [ -0.0007239600000000, 0.0000856000000000, 0.0003060100000000 ] - [ -0.0005190300000000, -0.0000359000000000, -0.0003758200000000 ] - [ -0.0007081800000000, -0.0000117000000000, 0.0002469300000000 ] - [ -0.0007247400000000, 0.0000194900000000, 0.0003024700000000 ] - [ -0.0007420300000000, -0.0000081400000000, 0.0003601200000000 ] - [ -0.0000798900000000, 0.0118570500000000, 0.0000556600000000 ] - [ -0.0048345900000000, -0.0041993500000000, -0.0006574000000000 ] - [ 0.0047667800000000, -0.0041899700000000, 0.0007632600000000 ] - [ -0.0000119500000000, 0.0014177300000000, 0.0000265200000000 ] - [ -0.0006223100000000, -0.0007262800000000, -0.0005225700000000 ] - [ 0.0005938600000000, -0.0007264500000000, 0.0005716000000000 ] - [ -0.0000081200000000, 0.0010876500000000, 0.0000047300000000 ] - [ -0.0004269900000000, -0.0005438100000000, 0.0010086300000000 ] - [ 0.0004005100000000, -0.0005474800000000, -0.0010057900000000 ] - [ -0.0019305900000000, 0.0012401800000000, -0.0025514800000000 ] - [ 0.0002505900000000, -0.0024104100000000, -0.0007498500000000 ] - [ 0.0024520900000000, 0.0012160700000000, 0.0010538800000000 ] - [ -0.0000491100000000, 0.0003382100000000, -0.0019106700000000 ] - [ 0.0002533800000000, -0.0006772700000000, -0.0007929200000000 ] - [ 0.0005718300000000, 0.0003331400000000, 0.0003282300000000 ] - [ 0.0002055300000000, 0.0004385700000000, -0.0006640200000000 ] - [ 0.0002528200000000, -0.0008777700000000, -0.0007700000000000 ] - [ 0.0003172200000000, 0.0004420400000000, -0.0008761400000000 ] - [ -0.0027815600000000, 0.0338531700000000, 0.0140260000000000 ] - [ 0.0002640700000000, -0.0123713300000000, 0.0007313600000000 ] - [ 0.0027763000000000, 0.0320911000000000, -0.0111560800000000 ] - [ 0.0005906800000000, 0.0008587600000000, 0.0002676900000000 ] - [ 0.0002544800000000, -0.0017417200000000, 0.0007660700000000 ] - [ -0.0000636100000000, 0.0008654400000000, 0.0012615500000000 ] - [ 0.0040889100000000, 0.0010073500000000, 0.0087719500000000 ] - [ 0.0002540100000000, -0.0021347300000000, 0.0007985300000000 ] - [ -0.0035369800000000, 0.0009926200000000, -0.0071739500000000 ] - [ -0.0000274100000000, 0.0066671000000000, -0.0000130800000000 ] - [ 0.0028869200000000, -0.0028692000000000, -0.0010483900000000 ] - [ -0.0028987500000000, -0.0028728400000000, 0.0009364100000000 ] - [ -0.0000070600000000, 0.0003848200000000, -0.0000088600000000 ] - [ 0.0003493700000000, -0.0001938900000000, -0.0009957000000000 ] - [ -0.0003729300000000, -0.0001965300000000, 0.0009882500000000 ] - [ -0.0000106700000000, 0.0016204900000000, -0.0000351400000000 ] - [ 0.0001357900000000, -0.0007384900000000, 0.0002025400000000 ] - [ -0.0001599300000000, -0.0007542100000000, -0.0002582600000000 ] - [ 0.0005796100000000, 0.0005715200000000, 0.0006175200000000 ] - [ 0.0000132300000000, -0.0011052000000000, 0.0000300700000000 ] - [ -0.0005661300000000, 0.0005561100000000, -0.0005692500000000 ] - [ 0.0031341600000000, 0.0007537200000000, -0.0001560800000000 ] - [ 0.0000115400000000, -0.0014584100000000, 0.0000070100000000 ] - [ -0.0031047900000000, 0.0007445700000000, 0.0001630400000000 ] - [ 0.0001093400000000, 0.0001739700000000, 0.0000915700000000 ] - [ 0.0000109300000000, -0.0003476500000000, 0.0000436700000000 ] - [ -0.0000797900000000, 0.0001733400000000, 0.0000081000000000 ] - [ -0.0002518600000000, 0.0049848600000000, -0.0007955700000000 ] - [ -0.0019640300000000, -0.0024397400000000, 0.0001494000000000 ] - [ 0.0014388700000000, -0.0024573700000000, -0.0017310200000000 ] - [ -0.0002448200000000, 0.0021587100000000, -0.0007428300000000 ] - [ -0.0010421400000000, -0.0010888700000000, -0.0025284700000000 ] - [ 0.0005103300000000, -0.0011036600000000, 0.0009843800000000 ] - [ -0.0002540500000000, 0.0004892600000000, -0.0007507800000000 ] - [ -0.0003415400000000, -0.0002455700000000, -0.0010200600000000 ] - [ -0.0001792500000000, -0.0002431600000000, -0.0004820200000000 ] - [ -0.0002188600000000, 0.0162942600000000, 0.0008258100000000 ] - [ 0.0051754900000000, -0.0052170200000000, 0.0049568500000000 ] - [ -0.0056514400000000, -0.0052122200000000, -0.0033796200000000 ] - [ -0.0002509900000000, 0.0072391700000000, 0.0007902200000000 ] - [ 0.0001749400000000, -0.0035466100000000, -0.0014909300000000 ] - [ -0.0006977800000000, -0.0035514500000000, 0.0030705300000000 ] - [ -0.0002529000000000, 0.0009702900000000, 0.0007458700000000 ] - [ 0.0000869100000000, -0.0004892300000000, 0.0013811600000000 ] - [ -0.0006059600000000, -0.0004870200000000, 0.0001158000000000 ] - [ -0.0005315000000000, 0.0110606200000000, 0.0002672900000000 ] - [ 0.0000009400000000, -0.0084531100000000, 0.0000036100000000 ] - [ 0.0008608500000000, 0.0102874300000000, -0.0007991700000000 ] - [ -0.0044552600000000, 0.0007253200000000, -0.0107867700000000 ] - [ 0.0000065100000000, -0.0018326400000000, -0.0000345200000000 ] - [ 0.0044661400000000, 0.0007228100000000, 0.0107052300000000 ] - [ -0.0001429100000000, 0.0004137100000000, 0.0001101700000000 ] - [ 0.0000100800000000, -0.0008312900000000, -0.0000455700000000 ] - [ 0.0001700600000000, 0.0004121700000000, -0.0002152300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0043970600000000, 0.0000000000000000, -0.1288120400000000 ] - [ 0.0024477400000000, 0.0013869300000000, -0.0186456500000000 ] - [ 0.0024477400000000, -0.0013869300000000, -0.0186456500000000 ] - [ -0.0004866300000000, 0.0000000000000000, 0.0079154700000000 ] - [ -0.0008948800000000, 0.0023456900000000, 0.0035688300000000 ] - [ -0.0008948800000000, -0.0023456900000000, 0.0035688300000000 ] - [ -0.0011923100000000, 0.0000000000000000, 0.0078719200000000 ] - [ -0.0010973500000000, -0.0029064600000000, 0.0035724400000000 ] - [ -0.0010973500000000, 0.0029064600000000, 0.0035724400000000 ] - [ -0.0007695700000000, 0.0000000000000000, -0.0027400900000000 ] - [ -0.0016632000000000, 0.0003100700000000, -0.0020751600000000 ] - [ -0.0016632000000000, -0.0003100700000000, -0.0020751600000000 ] - [ -0.0012106400000000, 0.0000000000000000, 0.0028652000000000 ] - [ -0.0010074700000000, 0.0003441900000000, 0.0024194000000000 ] - [ -0.0010074700000000, -0.0003441900000000, 0.0024194000000000 ] - [ 0.0001879100000000, 0.0000000000000000, 0.0017171800000000 ] - [ -0.0000670600000000, -0.0008461300000000, 0.0007923900000000 ] - [ -0.0000670600000000, 0.0008461300000000, 0.0007923900000000 ] - [ 0.0109137100000000, -0.0123733700000000, 0.0065149700000000 ] - [ 0.0012438000000000, 0.0000000000000000, -0.0014052200000000 ] - [ 0.0109137100000000, 0.0123733700000000, 0.0065149700000000 ] - [ -0.0128497700000000, 0.0062942700000000, 0.0065113300000000 ] - [ -0.0002208600000000, 0.0000000000000000, -0.0014175200000000 ] - [ -0.0128497700000000, -0.0062942700000000, 0.0065113300000000 ] - [ 0.0006928000000000, -0.0000236300000000, 0.0036775000000000 ] - [ 0.0006328200000000, 0.0000000000000000, 0.0027840700000000 ] - [ 0.0006928000000000, 0.0000236300000000, 0.0036775000000000 ] - [ -0.0104268700000000, -0.0010593800000000, -0.0084624500000000 ] - [ 0.0003295200000000, 0.0000000000000000, -0.0027692800000000 ] - [ -0.0104268700000000, 0.0010593800000000, -0.0084624500000000 ] - [ 0.0046550200000000, 0.0016474100000000, 0.0024964600000000 ] - [ 0.0018293900000000, 0.0000000000000000, 0.0007675200000000 ] - [ 0.0046550200000000, -0.0016474100000000, 0.0024964600000000 ] - [ 0.0000402400000000, -0.0004183600000000, 0.0031671300000000 ] - [ 0.0003222000000000, 0.0000000000000000, 0.0024490000000000 ] - [ 0.0000402400000000, 0.0004183600000000, 0.0031671300000000 ] - [ 0.0041655500000000, 0.0000000000000000, -0.0151105900000000 ] - [ 0.0015390500000000, 0.0002268400000000, -0.0032373000000000 ] - [ 0.0015390500000000, -0.0002268400000000, -0.0032373000000000 ] - [ -0.0008238600000000, 0.0000000000000000, 0.0026015000000000 ] - [ -0.0000299600000000, 0.0000426300000000, 0.0010934500000000 ] - [ -0.0000299600000000, -0.0000426300000000, 0.0010934500000000 ] - [ 0.0000957500000000, 0.0000000000000000, 0.0013220600000000 ] - [ 0.0003685700000000, -0.0000417400000000, 0.0007651300000000 ] - [ 0.0003685700000000, 0.0000417400000000, 0.0007651300000000 ] - [ 0.0057036400000000, 0.0000000000000000, 0.0002613000000000 ] - [ 0.0007280600000000, 0.0006648400000000, -0.0008107900000000 ] - [ 0.0007280600000000, -0.0006648400000000, -0.0008107900000000 ] - [ 0.0013638100000000, 0.0000000000000000, 0.0019068500000000 ] - [ 0.0012226900000000, -0.0000557800000000, 0.0015478400000000 ] - [ 0.0012226900000000, 0.0000557800000000, 0.0015478400000000 ] - [ -0.0000174500000000, 0.0000000000000000, 0.0010242900000000 ] - [ 0.0004481200000000, -0.0002634800000000, 0.0004642700000000 ] - [ 0.0004481200000000, 0.0002634800000000, 0.0004642700000000 ] - [ -0.0002185600000000, -0.0052149000000000, 0.0077138900000000 ] - [ -0.0012094000000000, 0.0000000000000000, -0.0009702900000000 ] - [ -0.0002185600000000, 0.0052149000000000, 0.0077138900000000 ] - [ 0.0018787600000000, 0.0031474900000000, 0.0069728800000000 ] - [ -0.0008027100000000, 0.0000000000000000, -0.0007531600000000 ] - [ 0.0018787600000000, -0.0031474900000000, 0.0069728800000000 ] - [ 0.0001941700000000, 0.0000184200000000, 0.0015343100000000 ] - [ -0.0000233700000000, 0.0000000000000000, 0.0011456000000000 ] - [ 0.0001941700000000, -0.0000184200000000, 0.0015343100000000 ] - [ 0.0000737800000000, -0.0002273900000000, -0.0015532900000000 ] - [ -0.0002886100000000, 0.0000000000000000, -0.0008772000000000 ] - [ 0.0000737800000000, 0.0002273900000000, -0.0015532900000000 ] - [ -0.0009392000000000, 0.0000870800000000, 0.0009817800000000 ] - [ -0.0008599900000000, 0.0000000000000000, 0.0006434400000000 ] - [ -0.0009392000000000, -0.0000870800000000, 0.0009817800000000 ] - [ -0.0011103200000000, -0.0000349300000000, 0.0013540700000000 ] - [ -0.0010415300000000, 0.0000000000000000, 0.0011556300000000 ] - [ -0.0011103200000000, 0.0000349300000000, 0.0013540700000000 ] - [ -0.0039252600000000, 0.0000000000000000, 0.0136983700000000 ] - [ -0.0005125700000000, -0.0001547700000000, 0.0038855300000000 ] - [ -0.0005125700000000, 0.0001547700000000, 0.0038855300000000 ] - [ -0.0015026000000000, 0.0000000000000000, -0.0021649900000000 ] - [ -0.0009224700000000, -0.0005629200000000, -0.0015811900000000 ] - [ -0.0009224700000000, 0.0005629200000000, -0.0015811900000000 ] - [ 0.0014464400000000, 0.0000000000000000, -0.0020292300000000 ] - [ 0.0007485300000000, 0.0004525900000000, -0.0009641200000000 ] - [ 0.0007485300000000, -0.0004525900000000, -0.0009641200000000 ] - [ 0.0015592900000000, -0.0006972600000000, 0.0034774500000000 ] - [ 0.0008451500000000, 0.0000000000000000, 0.0013957000000000 ] - [ 0.0015592900000000, 0.0006972600000000, 0.0034774500000000 ] - [ -0.0005099200000000, -0.0002566200000000, -0.0026010700000000 ] - [ -0.0001467500000000, 0.0000000000000000, -0.0018096900000000 ] - [ -0.0005099200000000, 0.0002566200000000, -0.0026010700000000 ] - [ 0.0000978700000000, 0.0004673500000000, -0.0022646400000000 ] - [ 0.0000537300000000, 0.0000000000000000, -0.0019627300000000 ] - [ 0.0000978700000000, -0.0004673500000000, -0.0022646400000000 ] - [ -0.0047674500000000, 0.0163344400000000, 0.0276425700000000 ] - [ -0.0004826700000000, 0.0000000000000000, 0.0035464300000000 ] - [ -0.0047674500000000, -0.0163344400000000, 0.0276425700000000 ] - [ 0.0009680700000000, -0.0007394800000000, -0.0028477700000000 ] - [ 0.0007952600000000, 0.0000000000000000, -0.0020430900000000 ] - [ 0.0009680700000000, 0.0007394800000000, -0.0028477700000000 ] - [ -0.0006313800000000, 0.0026861200000000, -0.0061010400000000 ] - [ 0.0004488800000000, 0.0000000000000000, 0.0010120000000000 ] - [ -0.0006313800000000, -0.0026861200000000, -0.0061010400000000 ] - [ 0.0051649800000000, 0.0000000000000000, 0.0103093400000000 ] - [ 0.0015544800000000, -0.0015286700000000, 0.0028791700000000 ] - [ 0.0015544800000000, 0.0015286700000000, 0.0028791700000000 ] - [ 0.0010377400000000, 0.0000000000000000, -0.0034388000000000 ] - [ 0.0004610400000000, -0.0000836300000000, -0.0019552600000000 ] - [ 0.0004610400000000, 0.0000836300000000, -0.0019552600000000 ] - [ -0.0015581200000000, 0.0000000000000000, -0.0025614200000000 ] - [ -0.0009786000000000, 0.0016668600000000, -0.0014763400000000 ] - [ -0.0009786000000000, -0.0016668600000000, -0.0014763400000000 ] - [ -0.0023700000000000, 0.0009495300000000, 0.0010175500000000 ] - [ -0.0005521600000000, 0.0000000000000000, 0.0011442000000000 ] - [ -0.0023700000000000, -0.0009495300000000, 0.0010175500000000 ] - [ 0.0022865900000000, -0.0003375300000000, 0.0003324900000000 ] - [ 0.0006370600000000, 0.0000000000000000, 0.0001726200000000 ] - [ 0.0022865900000000, 0.0003375300000000, 0.0003324900000000 ] - [ 0.0002312100000000, -0.0000641800000000, -0.0015850900000000 ] - [ 0.0001475400000000, 0.0000000000000000, -0.0013128400000000 ] - [ 0.0002312100000000, 0.0000641800000000, -0.0015850900000000 ] - [ 0.0022810500000000, 0.0000000000000000, 0.0001043700000000 ] - [ 0.0003420200000000, 0.0010227400000000, -0.0000054000000000 ] - [ 0.0003420200000000, -0.0010227400000000, -0.0000054000000000 ] - [ -0.0021299800000000, 0.0000000000000000, -0.0005997000000000 ] - [ -0.0007115000000000, -0.0008651500000000, 0.0003606400000000 ] - [ -0.0007115000000000, 0.0008651500000000, 0.0003606400000000 ] - [ 0.0001611400000000, 0.0000000000000000, -0.0033106500000000 ] - [ 0.0001333600000000, 0.0000992700000000, -0.0028396900000000 ] - [ 0.0001333600000000, -0.0000992700000000, -0.0028396900000000 ] - [ 0.0173916300000000, 0.0000000000000000, 0.0270628400000000 ] - [ 0.0000177100000000, 0.0035164200000000, 0.0056797300000000 ] - [ 0.0000177100000000, -0.0035164200000000, 0.0056797300000000 ] - [ 0.0020210900000000, 0.0000000000000000, -0.0043786500000000 ] - [ 0.0002773100000000, -0.0023058700000000, -0.0012804000000000 ] - [ 0.0002773100000000, 0.0023058700000000, -0.0012804000000000 ] - [ -0.0013779300000000, 0.0000000000000000, -0.0028665100000000 ] - [ -0.0010673900000000, 0.0002183100000000, -0.0018059000000000 ] - [ -0.0010673900000000, -0.0002183100000000, -0.0018059000000000 ] - [ 0.0000869600000000, -0.0002274200000000, 0.0149734800000000 ] - [ -0.0008223200000000, 0.0000000000000000, 0.0035999400000000 ] - [ 0.0000869600000000, 0.0002274200000000, 0.0149734800000000 ] - [ -0.0023575200000000, -0.0022784100000000, -0.0068034100000000 ] - [ -0.0003654600000000, 0.0000000000000000, -0.0001334700000000 ] - [ -0.0023575200000000, 0.0022784100000000, -0.0068034100000000 ] - [ 0.0000717400000000, 0.0003917700000000, -0.0028681200000000 ] - [ 0.0000903000000000, 0.0000000000000000, -0.0022748800000000 ] - [ 0.0000717400000000, -0.0003917700000000, -0.0028681200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0042089900000000, 0.0000000000000000, 0.1279970200000000 ] - [ -0.0040126500000000, -0.0014873000000000, 0.0180891400000000 ] - [ -0.0040126500000000, 0.0014873000000000, 0.0180891400000000 ] - [ -0.0010766500000000, 0.0000000000000000, -0.0084604400000000 ] - [ -0.0006801700000000, -0.0023290300000000, -0.0041592700000000 ] - [ -0.0006801700000000, 0.0023290300000000, -0.0041592700000000 ] - [ -0.0003766800000000, 0.0000000000000000, -0.0085044100000000 ] - [ -0.0004676200000000, 0.0029283200000000, -0.0041555300000000 ] - [ -0.0004676200000000, -0.0029283200000000, -0.0041555300000000 ] - [ -0.0008347100000000, 0.0000000000000000, 0.0033001400000000 ] - [ 0.0000911800000000, -0.0003143500000000, 0.0026446100000000 ] - [ 0.0000911800000000, 0.0003143500000000, 0.0026446100000000 ] - [ -0.0003654200000000, 0.0000000000000000, -0.0022914500000000 ] - [ -0.0005639100000000, -0.0003422700000000, -0.0018459100000000 ] - [ -0.0005639100000000, 0.0003422700000000, -0.0018459100000000 ] - [ -0.0017631300000000, 0.0000000000000000, -0.0011198400000000 ] - [ -0.0015103900000000, 0.0008479200000000, -0.0001939700000000 ] - [ -0.0015103900000000, -0.0008479200000000, -0.0001939700000000 ] - [ -0.0094416300000000, 0.0124371200000000, -0.0070971900000000 ] - [ 0.0003261900000000, 0.0000000000000000, 0.0008322000000000 ] - [ -0.0094416300000000, -0.0124371200000000, -0.0070971900000000 ] - [ 0.0143774000000000, -0.0062159400000000, -0.0071003600000000 ] - [ 0.0017977100000000, 0.0000000000000000, 0.0008203300000000 ] - [ 0.0143774000000000, 0.0062159400000000, -0.0071003600000000 ] - [ 0.0008725200000000, 0.0000283400000000, -0.0042578100000000 ] - [ 0.0009347200000000, 0.0000000000000000, -0.0033660400000000 ] - [ 0.0008725200000000, -0.0000283400000000, -0.0042578100000000 ] - [ 0.0119818600000000, 0.0010180000000000, 0.0091349800000000 ] - [ 0.0012315800000000, 0.0000000000000000, 0.0033573300000000 ] - [ 0.0119818600000000, -0.0010180000000000, 0.0091349800000000 ] - [ -0.0030598800000000, -0.0016513900000000, -0.0019240300000000 ] - [ -0.0002556300000000, 0.0000000000000000, -0.0001927900000000 ] - [ -0.0030598800000000, 0.0016513900000000, -0.0019240300000000 ] - [ 0.0015388700000000, 0.0004226000000000, -0.0025895000000000 ] - [ 0.0012543800000000, 0.0000000000000000, -0.0018684000000000 ] - [ 0.0015388700000000, -0.0004226000000000, -0.0025895000000000 ] - [ -0.0026900800000000, 0.0000000000000000, 0.0145250900000000 ] - [ -0.0000903500000000, -0.0002259500000000, 0.0026405800000000 ] - [ -0.0000903500000000, 0.0002259500000000, 0.0026405800000000 ] - [ 0.0022611100000000, 0.0000000000000000, -0.0031945300000000 ] - [ 0.0014774400000000, -0.0000379200000000, -0.0017033000000000 ] - [ 0.0014774400000000, 0.0000379200000000, -0.0017033000000000 ] - [ 0.0013502400000000, 0.0000000000000000, -0.0019409900000000 ] - [ 0.0010764100000000, 0.0000455700000000, -0.0013804200000000 ] - [ 0.0010764100000000, -0.0000455700000000, -0.0013804200000000 ] - [ -0.0042313800000000, 0.0000000000000000, 0.0002584900000000 ] - [ 0.0007162100000000, -0.0006640500000000, 0.0014060700000000 ] - [ 0.0007162100000000, 0.0006640500000000, 0.0014060700000000 ] - [ 0.0000830800000000, 0.0000000000000000, -0.0012878900000000 ] - [ 0.0002242600000000, 0.0000587700000000, -0.0009309100000000 ] - [ 0.0002242600000000, -0.0000587700000000, -0.0009309100000000 ] - [ 0.0014737900000000, 0.0000000000000000, -0.0004132000000000 ] - [ 0.0010013800000000, 0.0002688500000000, 0.0001486900000000 ] - [ 0.0010013800000000, -0.0002688500000000, 0.0001486900000000 ] - [ -0.0012247000000000, 0.0052784000000000, -0.0083728500000000 ] - [ -0.0002301200000000, 0.0000000000000000, 0.0003745900000000 ] - [ -0.0012247000000000, -0.0052784000000000, -0.0083728500000000 ] - [ -0.0033389400000000, -0.0031056000000000, -0.0075931600000000 ] - [ -0.0006487100000000, 0.0000000000000000, 0.0001253200000000 ] - [ -0.0033389400000000, 0.0031056000000000, -0.0075931600000000 ] - [ -0.0016422000000000, -0.0000219300000000, -0.0021368400000000 ] - [ -0.0014251100000000, 0.0000000000000000, -0.0017488400000000 ] - [ -0.0016422000000000, 0.0000219300000000, -0.0021368400000000 ] - [ -0.0015233600000000, 0.0002235200000000, 0.0021801100000000 ] - [ -0.0011605600000000, 0.0000000000000000, 0.0015004700000000 ] - [ -0.0015233600000000, -0.0002235200000000, 0.0021801100000000 ] - [ -0.0005045100000000, -0.0000913600000000, -0.0003825400000000 ] - [ -0.0005837700000000, 0.0000000000000000, -0.0000408500000000 ] - [ -0.0005045100000000, 0.0000913600000000, -0.0003825400000000 ] - [ -0.0003382500000000, 0.0000315900000000, -0.0007501500000000 ] - [ -0.0004061200000000, 0.0000000000000000, -0.0005539500000000 ] - [ -0.0003382500000000, -0.0000315900000000, -0.0007501500000000 ] - [ 0.0039078600000000, 0.0000000000000000, -0.0135372400000000 ] - [ 0.0004926400000000, 0.0001646100000000, -0.0037771300000000 ] - [ 0.0004926400000000, -0.0001646100000000, -0.0037771300000000 ] - [ 0.0014759700000000, 0.0000000000000000, 0.0022262700000000 ] - [ 0.0008963200000000, 0.0005592700000000, 0.0016423000000000 ] - [ 0.0008963200000000, -0.0005592700000000, 0.0016423000000000 ] - [ -0.0014742400000000, 0.0000000000000000, 0.0020560400000000 ] - [ -0.0007791800000000, -0.0004539500000000, 0.0009648200000000 ] - [ -0.0007791800000000, 0.0004539500000000, 0.0009648200000000 ] - [ -0.0010242800000000, 0.0007120500000000, -0.0049832100000000 ] - [ -0.0003339200000000, 0.0000000000000000, -0.0028981600000000 ] - [ -0.0010242800000000, -0.0007120500000000, -0.0049832100000000 ] - [ 0.0010330400000000, 0.0002586000000000, 0.0010222700000000 ] - [ 0.0006556800000000, 0.0000000000000000, 0.0002334100000000 ] - [ 0.0010330400000000, -0.0002586000000000, 0.0010222700000000 ] - [ 0.0004247900000000, -0.0004776300000000, 0.0007218000000000 ] - [ 0.0004516200000000, 0.0000000000000000, 0.0004179600000000 ] - [ 0.0004247900000000, 0.0004776300000000, 0.0007218000000000 ] - [ 0.0049574200000000, -0.0153384600000000, -0.0255908600000000 ] - [ 0.0009875600000000, 0.0000000000000000, -0.0020348600000000 ] - [ 0.0049574200000000, 0.0153384600000000, -0.0255908600000000 ] - [ -0.0004416500000000, 0.0007249500000000, 0.0043831600000000 ] - [ -0.0002867000000000, 0.0000000000000000, 0.0035836700000000 ] - [ -0.0004416500000000, -0.0007249500000000, 0.0043831600000000 ] - [ 0.0011649700000000, -0.0027239000000000, 0.0077123100000000 ] - [ 0.0000601400000000, 0.0000000000000000, 0.0005568900000000 ] - [ 0.0011649700000000, 0.0027239000000000, 0.0077123100000000 ] - [ -0.0051513000000000, 0.0000000000000000, -0.0103973500000000 ] - [ -0.0015876300000000, 0.0015318300000000, -0.0029864100000000 ] - [ -0.0015876300000000, -0.0015318300000000, -0.0029864100000000 ] - [ -0.0010422300000000, 0.0000000000000000, 0.0034060000000000 ] - [ -0.0004837200000000, 0.0000834900000000, 0.0019537700000000 ] - [ -0.0004837200000000, -0.0000834900000000, 0.0019537700000000 ] - [ 0.0015559500000000, 0.0000000000000000, 0.0025029300000000 ] - [ 0.0009640400000000, -0.0016745900000000, 0.0014119100000000 ] - [ 0.0009640400000000, 0.0016745900000000, 0.0014119100000000 ] - [ 0.0023983300000000, -0.0009443900000000, -0.0009727000000000 ] - [ 0.0005737100000000, 0.0000000000000000, -0.0010930300000000 ] - [ 0.0023983300000000, 0.0009443900000000, -0.0009727000000000 ] - [ -0.0022657700000000, 0.0003356500000000, -0.0003156300000000 ] - [ -0.0006241000000000, 0.0000000000000000, -0.0001457000000000 ] - [ -0.0022657700000000, -0.0003356500000000, -0.0003156300000000 ] - [ -0.0002015000000000, 0.0000624900000000, 0.0016933200000000 ] - [ -0.0001283500000000, 0.0000000000000000, 0.0014120400000000 ] - [ -0.0002015000000000, -0.0000624900000000, 0.0016933200000000 ] - [ -0.0028029000000000, 0.0000000000000000, -0.0017151300000000 ] - [ -0.0008590900000000, -0.0010160500000000, -0.0015984100000000 ] - [ -0.0008590900000000, 0.0010160500000000, -0.0015984100000000 ] - [ 0.0016303100000000, 0.0000000000000000, -0.0008782800000000 ] - [ 0.0001832800000000, 0.0008736500000000, -0.0018861400000000 ] - [ 0.0001832800000000, -0.0008736500000000, -0.0018861400000000 ] - [ -0.0006714900000000, 0.0000000000000000, 0.0018109700000000 ] - [ -0.0006560100000000, -0.0001044800000000, 0.0013407500000000 ] - [ -0.0006560100000000, 0.0001044800000000, 0.0013407500000000 ] - [ -0.0188681700000000, 0.0000000000000000, -0.0258803800000000 ] - [ -0.0005517500000000, -0.0035164100000000, -0.0041659700000000 ] - [ -0.0005517500000000, 0.0035164100000000, -0.0041659700000000 ] - [ -0.0024930700000000, 0.0000000000000000, 0.0059320500000000 ] - [ -0.0007970200000000, 0.0022990600000000, 0.0028797300000000 ] - [ -0.0007970200000000, -0.0022990600000000, 0.0028797300000000 ] - [ 0.0008767400000000, 0.0000000000000000, 0.0043738900000000 ] - [ 0.0005510200000000, -0.0002254200000000, 0.0033076100000000 ] - [ 0.0005510200000000, 0.0002254200000000, 0.0033076100000000 ] - [ 0.0001316600000000, 0.0007137900000000, -0.0152716700000000 ] - [ 0.0008357000000000, 0.0000000000000000, -0.0036358900000000 ] - [ 0.0001316600000000, -0.0007137900000000, -0.0152716700000000 ] - [ 0.0023830200000000, 0.0022484300000000, 0.0067439300000000 ] - [ 0.0003839600000000, 0.0000000000000000, 0.0000867500000000 ] - [ 0.0023830200000000, -0.0022484300000000, 0.0067439300000000 ] - [ -0.0000506200000000, -0.0003954200000000, 0.0027621800000000 ] - [ -0.0000750500000000, 0.0000000000000000, 0.0021854900000000 ] - [ -0.0000506200000000, 0.0003954200000000, 0.0027621800000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0138684400000000, 0.0000000000000000, 0.0031623900000000 ] - [ -0.0003262300000000, 0.0011307300000000, 0.0005343400000000 ] - [ -0.0003262300000000, -0.0011307300000000, 0.0005343400000000 ] - [ -0.0018122000000000, 0.0000000000000000, -0.0009238800000000 ] - [ -0.0012321200000000, -0.0000090500000000, -0.0006488800000000 ] - [ -0.0012321200000000, 0.0000090500000000, -0.0006488800000000 ] - [ -0.0001260900000000, 0.0000000000000000, -0.0018377500000000 ] - [ -0.0005088500000000, 0.0005266700000000, -0.0010460100000000 ] - [ -0.0005088500000000, -0.0005266700000000, -0.0010460100000000 ] - [ 0.0106034000000000, 0.0000000000000000, -0.0046145200000000 ] - [ -0.0002085500000000, -0.0011797900000000, 0.0002901100000000 ] - [ -0.0002085500000000, 0.0011797900000000, 0.0002901100000000 ] - [ -0.0006357300000000, 0.0000000000000000, -0.0003576200000000 ] - [ -0.0007254300000000, -0.0001080900000000, -0.0002150500000000 ] - [ -0.0007254300000000, 0.0001080900000000, -0.0002150500000000 ] - [ -0.0015328400000000, 0.0000000000000000, 0.0010339500000000 ] - [ -0.0012048100000000, -0.0001539800000000, 0.0005674800000000 ] - [ -0.0012048100000000, 0.0001539800000000, 0.0005674800000000 ] - [ -0.0023685700000000, 0.0062459100000000, -0.0029070700000000 ] - [ 0.0004563000000000, 0.0000000000000000, -0.0002133200000000 ] - [ -0.0023685700000000, -0.0062459100000000, -0.0029070700000000 ] - [ -0.0031881300000000, -0.0048006600000000, -0.0008319000000000 ] - [ 0.0002409900000000, 0.0000000000000000, 0.0002016000000000 ] - [ -0.0031881300000000, 0.0048006600000000, -0.0008319000000000 ] - [ 0.0006602600000000, 0.0000055900000000, -0.0012119900000000 ] - [ 0.0006979800000000, 0.0000000000000000, -0.0009930700000000 ] - [ 0.0006602600000000, -0.0000055900000000, -0.0012119900000000 ] - [ 0.0025583400000000, 0.0001657500000000, 0.0010902900000000 ] - [ 0.0013632000000000, 0.0000000000000000, 0.0007280800000000 ] - [ 0.0025583400000000, -0.0001657500000000, 0.0010902900000000 ] - [ 0.0011963700000000, -0.0002040700000000, 0.0000743900000000 ] - [ 0.0009320400000000, 0.0000000000000000, 0.0001533600000000 ] - [ 0.0011963700000000, 0.0002040700000000, 0.0000743900000000 ] - [ 0.0010003600000000, 0.0000165800000000, -0.0001016000000000 ] - [ 0.0009591100000000, 0.0000000000000000, -0.0000329600000000 ] - [ 0.0010003600000000, -0.0000165800000000, -0.0001016000000000 ] - [ -0.0652636800000000, 0.0000000000000000, 0.0703686500000000 ] - [ 0.0000731300000000, -0.0000806100000000, 0.0006011000000000 ] - [ 0.0000731300000000, 0.0000806100000000, 0.0006011000000000 ] - [ 0.0011475600000000, 0.0000000000000000, -0.0010277700000000 ] - [ 0.0008897600000000, 0.0000061400000000, -0.0006145400000000 ] - [ 0.0008897600000000, -0.0000061400000000, -0.0006145400000000 ] - [ 0.0011513400000000, 0.0000000000000000, -0.0008730500000000 ] - [ 0.0008911700000000, -0.0000088200000000, -0.0006047800000000 ] - [ 0.0008911700000000, 0.0000088200000000, -0.0006047800000000 ] - [ 0.0010022500000000, 0.0000000000000000, 0.0009170100000000 ] - [ 0.0009167800000000, -0.0000206700000000, 0.0005543400000000 ] - [ 0.0009167800000000, 0.0000206700000000, 0.0005543400000000 ] - [ 0.0006563600000000, 0.0000000000000000, 0.0001132300000000 ] - [ 0.0006689300000000, -0.0000041700000000, 0.0001492500000000 ] - [ 0.0006689300000000, 0.0000041700000000, 0.0001492500000000 ] - [ 0.0008604000000000, 0.0000000000000000, 0.0004382600000000 ] - [ 0.0008100900000000, 0.0000228400000000, 0.0003901900000000 ] - [ 0.0008100900000000, -0.0000228400000000, 0.0003901900000000 ] - [ -0.0004367800000000, 0.0002085800000000, -0.0003524900000000 ] - [ -0.0006514000000000, 0.0000000000000000, -0.0002427000000000 ] - [ -0.0004367800000000, -0.0002085800000000, -0.0003524900000000 ] - [ -0.0004389200000000, -0.0000685000000000, 0.0004614400000000 ] - [ -0.0006525300000000, 0.0000000000000000, -0.0000792000000000 ] - [ -0.0004389200000000, 0.0000685000000000, 0.0004614400000000 ] - [ -0.0008802300000000, -0.0000026200000000, -0.0006205200000000 ] - [ -0.0008500000000000, 0.0000000000000000, -0.0005644200000000 ] - [ -0.0008802300000000, 0.0000026200000000, -0.0006205200000000 ] - [ -0.0004821400000000, -0.0005258200000000, 0.0013401400000000 ] - [ -0.0008757400000000, 0.0000000000000000, 0.0006545100000000 ] - [ -0.0004821400000000, 0.0005258200000000, 0.0013401400000000 ] - [ -0.0004232500000000, -0.0000258700000000, -0.0001874400000000 ] - [ -0.0006192600000000, 0.0000000000000000, 0.0001352500000000 ] - [ -0.0004232500000000, 0.0000258700000000, -0.0001874400000000 ] - [ -0.0007049300000000, 0.0000139500000000, 0.0001444700000000 ] - [ -0.0007000500000000, 0.0000000000000000, 0.0001673800000000 ] - [ -0.0007049300000000, -0.0000139500000000, 0.0001444700000000 ] - [ -0.0018225600000000, 0.0000000000000000, -0.0005315300000000 ] - [ -0.0006018500000000, -0.0000215200000000, -0.0002852200000000 ] - [ -0.0006018500000000, 0.0000215200000000, -0.0002852200000000 ] - [ 0.0001684200000000, 0.0000000000000000, 0.0002172700000000 ] - [ 0.0000140400000000, 0.0000311100000000, 0.0002124100000000 ] - [ 0.0000140400000000, -0.0000311100000000, 0.0002124100000000 ] - [ -0.0003643400000000, 0.0000000000000000, 0.0000906500000000 ] - [ -0.0002551800000000, -0.0000490800000000, 0.0000648200000000 ] - [ -0.0002551800000000, 0.0000490800000000, 0.0000648200000000 ] - [ -0.0017743500000000, 0.0012328000000000, -0.0015637600000000 ] - [ -0.0000516100000000, 0.0000000000000000, -0.0013803600000000 ] - [ -0.0017743500000000, -0.0012328000000000, -0.0015637600000000 ] - [ 0.0000879000000000, 0.0000600400000000, -0.0002653300000000 ] - [ 0.0002236000000000, 0.0000000000000000, -0.0005308400000000 ] - [ 0.0000879000000000, -0.0000600400000000, -0.0002653300000000 ] - [ 0.0003292100000000, -0.0000355100000000, -0.0006779400000000 ] - [ 0.0003084600000000, 0.0000000000000000, -0.0006730800000000 ] - [ 0.0003292100000000, 0.0000355100000000, -0.0006779400000000 ] - [ 0.0007069300000000, -0.0016904600000000, -0.0018049900000000 ] - [ 0.0007127400000000, 0.0000000000000000, -0.0000219700000000 ] - [ 0.0007069300000000, 0.0016904600000000, -0.0018049900000000 ] - [ 0.0002739300000000, 0.0001194100000000, 0.0013094400000000 ] - [ 0.0002635100000000, 0.0000000000000000, 0.0012202300000000 ] - [ 0.0002739300000000, -0.0001194100000000, 0.0013094400000000 ] - [ -0.0007209400000000, -0.0007578700000000, 0.0020224500000000 ] - [ 0.0001067900000000, 0.0000000000000000, 0.0008806000000000 ] - [ -0.0007209400000000, 0.0007578700000000, 0.0020224500000000 ] - [ 0.0522157900000000, 0.0000000000000000, -0.0814449300000000 ] - [ 0.0005475200000000, 0.0009717900000000, -0.0007958400000000 ] - [ 0.0005475200000000, -0.0009717900000000, -0.0007958400000000 ] - [ -0.0002142000000000, 0.0000000000000000, 0.0008529000000000 ] - [ -0.0000598800000000, 0.0000150800000000, 0.0004648700000000 ] - [ -0.0000598800000000, -0.0000150800000000, 0.0004648700000000 ] - [ 0.0012105300000000, 0.0000000000000000, 0.0014935800000000 ] - [ 0.0005386400000000, -0.0006745200000000, 0.0006472800000000 ] - [ 0.0005386400000000, 0.0006745200000000, 0.0006472800000000 ] - [ 0.0008904800000000, 0.0003335600000000, -0.0013119900000000 ] - [ 0.0003790900000000, 0.0000000000000000, -0.0003222000000000 ] - [ 0.0008904800000000, -0.0003335600000000, -0.0013119900000000 ] - [ -0.0006175800000000, 0.0007448400000000, 0.0005356500000000 ] - [ -0.0000484600000000, 0.0000000000000000, 0.0001760100000000 ] - [ -0.0006175800000000, -0.0007448400000000, 0.0005356500000000 ] - [ 0.0000573300000000, 0.0000140100000000, 0.0003743700000000 ] - [ 0.0000490600000000, 0.0000000000000000, 0.0003138800000000 ] - [ 0.0000573300000000, -0.0000140100000000, 0.0003743700000000 ] - [ -0.0004578800000000, 0.0000000000000000, -0.0011634900000000 ] - [ -0.0003756900000000, 0.0000172300000000, -0.0010376200000000 ] - [ -0.0003756900000000, -0.0000172300000000, -0.0010376200000000 ] - [ -0.0015445200000000, 0.0000000000000000, -0.0006710000000000 ] - [ -0.0006424900000000, 0.0001433300000000, -0.0007871500000000 ] - [ -0.0006424900000000, -0.0001433300000000, -0.0007871500000000 ] - [ -0.0003966400000000, 0.0000000000000000, -0.0003487400000000 ] - [ -0.0003825200000000, 0.0000010300000000, -0.0004174900000000 ] - [ -0.0003825200000000, -0.0000010300000000, -0.0004174900000000 ] - [ 0.0014818300000000, 0.0000000000000000, 0.0174488400000000 ] - [ -0.0001218100000000, -0.0012843300000000, -0.0002861900000000 ] - [ -0.0001218100000000, 0.0012843300000000, -0.0002861900000000 ] - [ 0.0019796300000000, 0.0000000000000000, 0.0040334900000000 ] - [ 0.0002878800000000, 0.0013158900000000, 0.0018728900000000 ] - [ 0.0002878800000000, -0.0013158900000000, 0.0018728900000000 ] - [ -0.0001712700000000, 0.0000000000000000, 0.0016614200000000 ] - [ -0.0001356800000000, -0.0000377600000000, 0.0013379800000000 ] - [ -0.0001356800000000, 0.0000377600000000, 0.0013379800000000 ] - [ -0.0013261400000000, -0.0008457000000000, -0.0001130700000000 ] - [ -0.0003384000000000, 0.0000000000000000, -0.0001412200000000 ] - [ -0.0013261400000000, 0.0008457000000000, -0.0001130700000000 ] - [ -0.0000923900000000, 0.0001236600000000, -0.0006443200000000 ] - [ 0.0000430400000000, 0.0000000000000000, -0.0001954100000000 ] - [ -0.0000923900000000, -0.0001236600000000, -0.0006443200000000 ] - [ -0.0000940100000000, -0.0000684800000000, 0.0004615700000000 ] - [ -0.0000916500000000, 0.0000000000000000, 0.0003862900000000 ] - [ -0.0000940100000000, 0.0000684800000000, 0.0004615700000000 ]- atom: 37 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0152370200000000, 0.0000000000000000, -0.0036941700000000 ] - [ -0.0012462000000000, -0.0011265300000000, -0.0010956400000000 ] - [ -0.0012462000000000, 0.0011265300000000, -0.0010956400000000 ] - [ 0.0002315700000000, 0.0000000000000000, 0.0003297300000000 ] - [ -0.0003433300000000, 0.0000089800000000, 0.0000582300000000 ] - [ -0.0003433300000000, -0.0000089800000000, 0.0000582300000000 ] - [ -0.0014396900000000, 0.0000000000000000, 0.0012467200000000 ] - [ -0.0010605800000000, -0.0005207500000000, 0.0004613000000000 ] - [ -0.0010605800000000, 0.0005207500000000, 0.0004613000000000 ] - [ -0.0121263600000000, 0.0000000000000000, 0.0053215500000000 ] - [ -0.0013505900000000, 0.0011733500000000, 0.0003024700000000 ] - [ -0.0013505900000000, -0.0011733500000000, 0.0003024700000000 ] - [ -0.0009338300000000, 0.0000000000000000, 0.0009238100000000 ] - [ -0.0008454900000000, 0.0001059100000000, 0.0007840100000000 ] - [ -0.0008454900000000, -0.0001059100000000, 0.0007840100000000 ] - [ -0.0000536800000000, 0.0000000000000000, -0.0004566200000000 ] - [ -0.0003725300000000, 0.0001598200000000, 0.0000149200000000 ] - [ -0.0003725300000000, -0.0001598200000000, 0.0000149200000000 ] - [ 0.0039227600000000, -0.0061764000000000, 0.0023106600000000 ] - [ 0.0011166000000000, 0.0000000000000000, -0.0003678600000000 ] - [ 0.0039227600000000, 0.0061764000000000, 0.0023106600000000 ] - [ 0.0046868500000000, 0.0047021000000000, 0.0001738200000000 ] - [ 0.0013249600000000, 0.0000000000000000, -0.0007784400000000 ] - [ 0.0046868500000000, -0.0047021000000000, 0.0001738200000000 ] - [ 0.0009103300000000, -0.0000069400000000, 0.0006235200000000 ] - [ 0.0008741600000000, 0.0000000000000000, 0.0004076500000000 ] - [ 0.0009103300000000, 0.0000069400000000, 0.0006235200000000 ] - [ -0.0009839200000000, -0.0001625400000000, -0.0005062400000000 ] - [ 0.0002101600000000, 0.0000000000000000, -0.0001431200000000 ] - [ -0.0009839200000000, 0.0001625400000000, -0.0005062400000000 ] - [ 0.0003813000000000, 0.0002047300000000, 0.0005097000000000 ] - [ 0.0006412000000000, 0.0000000000000000, 0.0004300600000000 ] - [ 0.0003813000000000, -0.0002047300000000, 0.0005097000000000 ] - [ 0.0005722900000000, -0.0000174300000000, 0.0006713900000000 ] - [ 0.0006137000000000, 0.0000000000000000, 0.0006033700000000 ] - [ 0.0005722900000000, 0.0000174300000000, 0.0006713900000000 ] - [ 0.0652222400000000, 0.0000000000000000, -0.0727597200000000 ] - [ 0.0013700200000000, 0.0000807500000000, -0.0011943500000000 ] - [ 0.0013700200000000, -0.0000807500000000, -0.0011943500000000 ] - [ 0.0003004600000000, 0.0000000000000000, 0.0004114300000000 ] - [ 0.0005584800000000, -0.0000020700000000, 0.0000038400000000 ] - [ 0.0005584800000000, 0.0000020700000000, 0.0000038400000000 ] - [ 0.0003042800000000, 0.0000000000000000, 0.0002436900000000 ] - [ 0.0005593600000000, 0.0000117300000000, -0.0000188500000000 ] - [ 0.0005593600000000, -0.0000117300000000, -0.0000188500000000 ] - [ 0.0004486000000000, 0.0000000000000000, -0.0003069100000000 ] - [ 0.0005335200000000, 0.0000241200000000, 0.0000536100000000 ] - [ 0.0005335200000000, -0.0000241200000000, 0.0000536100000000 ] - [ 0.0007908300000000, 0.0000000000000000, 0.0005042200000000 ] - [ 0.0007784900000000, 0.0000073300000000, 0.0004678200000000 ] - [ 0.0007784900000000, -0.0000073300000000, 0.0004678200000000 ] - [ 0.0005855400000000, 0.0000000000000000, 0.0001683800000000 ] - [ 0.0006364600000000, -0.0000182800000000, 0.0002158900000000 ] - [ 0.0006364600000000, 0.0000182800000000, 0.0002158900000000 ] - [ -0.0010071200000000, -0.0002118900000000, -0.0002530500000000 ] - [ -0.0007941700000000, 0.0000000000000000, -0.0003644000000000 ] - [ -0.0010071200000000, 0.0002118900000000, -0.0002530500000000 ] - [ -0.0010093600000000, 0.0000655700000000, -0.0010808500000000 ] - [ -0.0007954300000000, 0.0000000000000000, -0.0005400900000000 ] - [ -0.0010093600000000, -0.0000655700000000, -0.0010808500000000 ] - [ -0.0005702200000000, -0.0000007400000000, 0.0000128200000000 ] - [ -0.0006001600000000, 0.0000000000000000, -0.0000422000000000 ] - [ -0.0005702200000000, 0.0000007400000000, 0.0000128200000000 ] - [ -0.0009714200000000, 0.0005283200000000, -0.0007150600000000 ] - [ -0.0005741100000000, 0.0000000000000000, -0.0000291000000000 ] - [ -0.0009714200000000, -0.0005283200000000, -0.0007150600000000 ] - [ -0.0010196400000000, 0.0000258900000000, 0.0007809300000000 ] - [ -0.0008261000000000, 0.0000000000000000, 0.0004710900000000 ] - [ -0.0010196400000000, -0.0000258900000000, 0.0007809300000000 ] - [ -0.0007425700000000, -0.0000171200000000, 0.0004560600000000 ] - [ -0.0007472700000000, 0.0000000000000000, 0.0004323900000000 ] - [ -0.0007425700000000, 0.0000171200000000, 0.0004560600000000 ] - [ 0.0017887400000000, 0.0000000000000000, 0.0006156800000000 ] - [ 0.0005738800000000, 0.0000205200000000, 0.0003843100000000 ] - [ 0.0005738800000000, -0.0000205200000000, 0.0003843100000000 ] - [ -0.0001845900000000, 0.0000000000000000, -0.0001588800000000 ] - [ -0.0000364000000000, -0.0000332400000000, -0.0001541400000000 ] - [ -0.0000364000000000, 0.0000332400000000, -0.0001541400000000 ] - [ 0.0003490500000000, 0.0000000000000000, -0.0000673900000000 ] - [ 0.0002299000000000, 0.0000501700000000, -0.0000574300000000 ] - [ 0.0002299000000000, -0.0000501700000000, -0.0000574300000000 ] - [ 0.0022957700000000, -0.0012322600000000, 0.0000438600000000 ] - [ 0.0005546000000000, 0.0000000000000000, -0.0001290800000000 ] - [ 0.0022957700000000, 0.0012322600000000, 0.0000438600000000 ] - [ 0.0004295000000000, -0.0000572300000000, -0.0013073700000000 ] - [ 0.0002836200000000, 0.0000000000000000, -0.0010472100000000 ] - [ 0.0004295000000000, 0.0000572300000000, -0.0013073700000000 ] - [ 0.0001976000000000, 0.0000256200000000, -0.0008520900000000 ] - [ 0.0001994500000000, 0.0000000000000000, -0.0008601000000000 ] - [ 0.0001976000000000, -0.0000256200000000, -0.0008520900000000 ] - [ -0.0001487700000000, 0.0016939400000000, 0.0032825500000000 ] - [ -0.0002004000000000, 0.0000000000000000, 0.0015149100000000 ] - [ -0.0001487700000000, -0.0016939400000000, 0.0032825500000000 ] - [ 0.0002503600000000, -0.0001261000000000, 0.0002331600000000 ] - [ 0.0002430400000000, 0.0000000000000000, 0.0003233800000000 ] - [ 0.0002503600000000, 0.0001261000000000, 0.0002331600000000 ] - [ 0.0012341700000000, 0.0007545000000000, -0.0004289100000000 ] - [ 0.0003996000000000, 0.0000000000000000, 0.0007012700000000 ] - [ 0.0012341700000000, -0.0007545000000000, -0.0004289100000000 ] - [ -0.0509808400000000, 0.0000000000000000, 0.0828334100000000 ] - [ -0.0005736100000000, -0.0009575300000000, 0.0006818900000000 ] - [ -0.0005736100000000, 0.0009575300000000, 0.0006818900000000 ] - [ 0.0001997800000000, 0.0000000000000000, -0.0008618200000000 ] - [ 0.0000352600000000, -0.0000131600000000, -0.0004641900000000 ] - [ 0.0000352600000000, 0.0000131600000000, -0.0004641900000000 ] - [ -0.0012197600000000, 0.0000000000000000, -0.0015247100000000 ] - [ -0.0005582600000000, 0.0006633400000000, -0.0006955200000000 ] - [ -0.0005582600000000, -0.0006633400000000, -0.0006955200000000 ] - [ -0.0008580400000000, -0.0003390900000000, 0.0013669400000000 ] - [ -0.0003585700000000, 0.0000000000000000, 0.0003730300000000 ] - [ -0.0008580400000000, 0.0003390900000000, 0.0013669400000000 ] - [ 0.0006077900000000, -0.0007108700000000, -0.0005083900000000 ] - [ 0.0000603000000000, 0.0000000000000000, -0.0001577600000000 ] - [ 0.0006077900000000, 0.0007108700000000, -0.0005083900000000 ] - [ -0.0000300900000000, -0.0000139700000000, -0.0002633700000000 ] - [ -0.0000301900000000, 0.0000000000000000, -0.0002155600000000 ] - [ -0.0000300900000000, 0.0000139700000000, -0.0002633700000000 ] - [ -0.0000470700000000, 0.0000000000000000, -0.0004194800000000 ] - [ -0.0001457500000000, -0.0000220900000000, -0.0005483400000000 ] - [ -0.0001457500000000, 0.0000220900000000, -0.0005483400000000 ] - [ 0.0010392100000000, 0.0000000000000000, -0.0008786700000000 ] - [ 0.0001130800000000, -0.0001333900000000, -0.0007511400000000 ] - [ 0.0001130800000000, 0.0001333900000000, -0.0007511400000000 ] - [ -0.0001133000000000, 0.0000000000000000, -0.0011443900000000 ] - [ -0.0001392700000000, -0.0000045500000000, -0.0010764500000000 ] - [ -0.0001392700000000, 0.0000045500000000, -0.0010764500000000 ] - [ -0.0018644300000000, 0.0000000000000000, -0.0156004900000000 ] - [ -0.0004034500000000, 0.0012803500000000, 0.0018048400000000 ] - [ -0.0004034500000000, -0.0012803500000000, 0.0018048400000000 ] - [ -0.0024600800000000, 0.0000000000000000, -0.0024380100000000 ] - [ -0.0008078000000000, -0.0013091300000000, -0.0002805400000000 ] - [ -0.0008078000000000, 0.0013091300000000, -0.0002805400000000 ] - [ -0.0003364400000000, 0.0000000000000000, -0.0001494900000000 ] - [ -0.0003830000000000, 0.0000337200000000, 0.0001683400000000 ] - [ -0.0003830000000000, -0.0000337200000000, 0.0001683400000000 ] - [ 0.0013434500000000, 0.0008377500000000, 0.0001038200000000 ] - [ 0.0003521900000000, 0.0000000000000000, 0.0001197800000000 ] - [ 0.0013434500000000, -0.0008377500000000, 0.0001038200000000 ] - [ 0.0001172300000000, -0.0001204700000000, 0.0005893400000000 ] - [ -0.0000238300000000, 0.0000000000000000, 0.0001398800000000 ] - [ 0.0001172300000000, 0.0001204700000000, 0.0005893400000000 ] - [ 0.0001206500000000, 0.0000674500000000, -0.0005617300000000 ] - [ 0.0001112400000000, 0.0000000000000000, -0.0004725100000000 ] - [ 0.0001206500000000, -0.0000674500000000, -0.0005617300000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008238300000000, -0.0030538800000000, -0.0002810800000000 ] - [ -0.0001584500000000, 0.0007899600000000, -0.0005140600000000 ] - [ -0.0014053900000000, 0.0007899300000000, -0.0000627200000000 ] - [ -0.0007889600000000, -0.0001585300000000, -0.0002939700000000 ] - [ -0.0008941400000000, 0.0000844700000000, -0.0002477100000000 ] - [ -0.0006754800000000, 0.0000861800000000, -0.0003346500000000 ] - [ -0.0007878000000000, -0.0000458300000000, -0.0002876200000000 ] - [ -0.0007894500000000, 0.0000268600000000, -0.0003299000000000 ] - [ -0.0007841900000000, 0.0000288100000000, -0.0002496200000000 ] - [ -0.0007655600000000, -0.0003774800000000, 0.0002849200000000 ] - [ -0.0012009900000000, 0.0003003400000000, 0.0009546600000000 ] - [ -0.0003862800000000, 0.0003031800000000, -0.0003728300000000 ] - [ -0.0007864200000000, 0.0001100100000000, 0.0002886800000000 ] - [ -0.0007720300000000, -0.0000570700000000, 0.0002320900000000 ] - [ -0.0008026400000000, -0.0000559900000000, 0.0003468400000000 ] - [ -0.0007855900000000, -0.0006523400000000, 0.0002948500000000 ] - [ -0.0008632300000000, 0.0003246500000000, 0.0000273100000000 ] - [ -0.0007117000000000, 0.0003260300000000, 0.0005586900000000 ] - [ 0.0018883200000000, 0.0004356600000000, -0.0034301400000000 ] - [ 0.0007863200000000, 0.0007455800000000, -0.0002968000000000 ] - [ -0.0003111500000000, 0.0004614300000000, 0.0028220600000000 ] - [ 0.0001784900000000, 0.0006407500000000, 0.0049746900000000 ] - [ 0.0007880200000000, 0.0006101800000000, -0.0002865600000000 ] - [ 0.0013922900000000, 0.0006940400000000, -0.0055177000000000 ] - [ 0.0007766700000000, 0.0000067900000000, -0.0003095900000000 ] - [ 0.0007872100000000, -0.0000184900000000, -0.0002880200000000 ] - [ 0.0007969300000000, 0.0000104400000000, -0.0002682300000000 ] - [ 0.0004369600000000, -0.0001526700000000, 0.0000656100000000 ] - [ 0.0007868600000000, 0.0002887800000000, 0.0002893200000000 ] - [ 0.0011396000000000, -0.0001491200000000, 0.0005161300000000 ] - [ 0.0010264900000000, -0.0000423900000000, 0.0003807500000000 ] - [ 0.0007874200000000, 0.0000892200000000, 0.0002932600000000 ] - [ 0.0005493900000000, -0.0000372400000000, 0.0002028100000000 ] - [ 0.0007714800000000, -0.0000121200000000, 0.0002561200000000 ] - [ 0.0007874800000000, 0.0000217700000000, 0.0002884400000000 ] - [ 0.0008026100000000, -0.0000101800000000, 0.0003216800000000 ] - [ 0.0002107800000000, -0.0338116900000000, 0.0010841800000000 ] - [ 0.0008061500000000, 0.0005952300000000, -0.0004102600000000 ] - [ 0.0006449100000000, 0.0005848700000000, -0.0001973400000000 ] - [ 0.0007239600000000, 0.0000159600000000, -0.0003059800000000 ] - [ 0.0007329100000000, 0.0000172800000000, -0.0003313800000000 ] - [ 0.0007124700000000, 0.0000134700000000, -0.0002728000000000 ] - [ 0.0007238100000000, 0.0000170100000000, -0.0003099100000000 ] - [ 0.0007202100000000, 0.0000163700000000, -0.0003350600000000 ] - [ 0.0007288100000000, 0.0000133200000000, -0.0002853600000000 ] - [ 0.0007253900000000, -0.0000814600000000, 0.0003022400000000 ] - [ 0.0007470400000000, 0.0000380600000000, 0.0003636500000000 ] - [ 0.0007023700000000, 0.0000349100000000, 0.0002411100000000 ] - [ 0.0007240000000000, 0.0000083900000000, 0.0003101300000000 ] - [ 0.0007299100000000, -0.0000020400000000, 0.0003162200000000 ] - [ 0.0007187000000000, -0.0000052600000000, 0.0003039500000000 ] - [ 0.0007234000000000, -0.0000085200000000, 0.0003043200000000 ] - [ 0.0007028000000000, 0.0000062800000000, 0.0002632200000000 ] - [ 0.0007440900000000, 0.0000019900000000, 0.0003431900000000 ] - [ -0.0007907800000000, -0.0000525100000000, -0.0002895600000000 ] - [ -0.0007232900000000, 0.0000190500000000, -0.0003046800000000 ] - [ -0.0006566300000000, -0.0000470700000000, -0.0003179400000000 ] - [ -0.0005137000000000, -0.0000519800000000, 0.0002353000000000 ] - [ -0.0007236700000000, 0.0000201300000000, -0.0003098400000000 ] - [ -0.0009338200000000, -0.0000486800000000, -0.0008534700000000 ] - [ -0.0007255000000000, 0.0000004500000000, -0.0003050500000000 ] - [ -0.0007243200000000, -0.0000036700000000, -0.0003013900000000 ] - [ -0.0007234800000000, 0.0000038300000000, -0.0002989400000000 ] - [ -0.0012527500000000, 0.0001414000000000, 0.0000889300000000 ] - [ -0.0007245700000000, 0.0000626800000000, 0.0003104300000000 ] - [ -0.0001982200000000, 0.0001483600000000, 0.0005318100000000 ] - [ -0.0007494300000000, 0.0003594900000000, 0.0000167000000000 ] - [ -0.0007237600000000, -0.0000566400000000, 0.0003051700000000 ] - [ -0.0006975400000000, 0.0003645300000000, 0.0005896800000000 ] - [ -0.0007090500000000, -0.0000008200000000, 0.0002778500000000 ] - [ -0.0007244200000000, -0.0000030700000000, 0.0003015400000000 ] - [ -0.0007400000000000, 0.0000025800000000, 0.0003265200000000 ] - [ -0.0000098600000000, 0.0002158800000000, 0.0000448000000000 ] - [ -0.0000898600000000, -0.0001236100000000, 0.0000706300000000 ] - [ 0.0000594400000000, -0.0001250600000000, 0.0000326700000000 ] - [ -0.0000092800000000, 0.0000324000000000, 0.0000273000000000 ] - [ -0.0000251900000000, -0.0000149500000000, 0.0000066700000000 ] - [ -0.0000004800000000, -0.0000132500000000, 0.0000471500000000 ] - [ -0.0000077300000000, 0.0000168700000000, 0.0000079200000000 ] - [ 0.0000060500000000, -0.0000075700000000, 0.0000497700000000 ] - [ -0.0000315300000000, -0.0000096200000000, -0.0000449500000000 ] - [ 0.0011889600000000, -0.0002871300000000, -0.0008328200000000 ] - [ 0.0002548300000000, -0.0002159600000000, -0.0007496500000000 ] - [ -0.0006672200000000, -0.0003048800000000, -0.0006676800000000 ] - [ 0.0001293300000000, -0.0000421600000000, -0.0005883100000000 ] - [ 0.0002545400000000, 0.0000325400000000, -0.0007910400000000 ] - [ 0.0003941500000000, -0.0000455000000000, -0.0009942100000000 ] - [ 0.0002994700000000, 0.0000733200000000, -0.0006840400000000 ] - [ 0.0002535500000000, -0.0001707700000000, -0.0007684700000000 ] - [ 0.0002255300000000, 0.0000803600000000, -0.0008512400000000 ] - [ -0.0009570400000000, -0.0003998100000000, -0.0001975600000000 ] - [ 0.0002519600000000, -0.0004497400000000, 0.0007497700000000 ] - [ 0.0014787900000000, -0.0004222900000000, 0.0016945400000000 ] - [ 0.0002900300000000, 0.0000094000000000, 0.0007593000000000 ] - [ 0.0002534400000000, -0.0000136300000000, 0.0007677200000000 ] - [ 0.0002352900000000, 0.0000151100000000, 0.0007754500000000 ] - [ 0.0001812500000000, 0.0000843700000000, 0.0008347800000000 ] - [ 0.0002535600000000, -0.0000730000000000, 0.0007919900000000 ] - [ 0.0003443100000000, 0.0000767200000000, 0.0007462600000000 ] - [ 0.0005184600000000, 0.0197369000000000, -0.0014363400000000 ] - [ 0.0001040900000000, -0.0011254900000000, -0.0007154600000000 ] - [ -0.0001307600000000, -0.0011119000000000, 0.0006049800000000 ] - [ -0.0000082100000000, -0.0000226300000000, -0.0000070700000000 ] - [ -0.0000102100000000, 0.0000026400000000, 0.0000349300000000 ] - [ -0.0000139400000000, 0.0000001400000000, -0.0000422500000000 ] - [ -0.0000111300000000, 0.0001771000000000, -0.0000289200000000 ] - [ -0.0000788900000000, 0.0000131800000000, -0.0000814900000000 ] - [ 0.0000559400000000, 0.0000158700000000, 0.0000305800000000 ] - [ 0.0004838800000000, -0.0000967800000000, 0.0008124700000000 ] - [ 0.0000107800000000, -0.0001819500000000, 0.0000280200000000 ] - [ -0.0004576900000000, -0.0001054800000000, -0.0007581600000000 ] - [ -0.0008413500000000, 0.0009387000000000, 0.0010754500000000 ] - [ 0.0000100100000000, -0.0001094500000000, 0.0000074800000000 ] - [ 0.0008623400000000, 0.0009147200000000, -0.0010754100000000 ] - [ 0.0000120700000000, -0.0000061600000000, 0.0000877500000000 ] - [ 0.0000106900000000, 0.0000131100000000, 0.0000449500000000 ] - [ 0.0000163700000000, -0.0000064600000000, 0.0000159300000000 ] - [ -0.0002548500000000, 0.0002690500000000, -0.0007905100000000 ] - [ -0.0001823600000000, -0.0001350000000000, -0.0007459300000000 ] - [ -0.0003412200000000, -0.0001340600000000, -0.0008372900000000 ] - [ -0.0002583000000000, 0.0000395900000000, -0.0007644600000000 ] - [ -0.0002459100000000, -0.0000036400000000, -0.0009281500000000 ] - [ -0.0002792100000000, -0.0000139000000000, -0.0006082500000000 ] - [ -0.0002541600000000, 0.0000050100000000, -0.0007492200000000 ] - [ -0.0002699300000000, -0.0000043600000000, -0.0007373900000000 ] - [ -0.0002505500000000, -0.0000011800000000, -0.0007612700000000 ] - [ -0.0002556200000000, 0.0124328900000000, 0.0007514500000000 ] - [ -0.0005346500000000, -0.0007616200000000, 0.0013254600000000 ] - [ 0.0000051200000000, -0.0007649400000000, 0.0002176300000000 ] - [ -0.0002435500000000, 0.0002589200000000, 0.0007996500000000 ] - [ -0.0002357100000000, 0.0004502500000000, 0.0011132100000000 ] - [ -0.0002906200000000, 0.0004609700000000, 0.0004621700000000 ] - [ -0.0002538400000000, 0.0000033700000000, 0.0007492500000000 ] - [ -0.0002514600000000, -0.0000051300000000, 0.0007678200000000 ] - [ -0.0002688000000000, -0.0000024500000000, 0.0007307400000000 ] - [ 0.0002288300000000, 0.0002519900000000, 0.0001060600000000 ] - [ 0.0000068600000000, -0.0002577500000000, -0.0000081400000000 ] - [ -0.0002053500000000, 0.0002498500000000, -0.0001091500000000 ] - [ -0.0001484700000000, 0.0000365900000000, -0.0005087100000000 ] - [ 0.0000085900000000, -0.0000371800000000, -0.0000280200000000 ] - [ 0.0001713200000000, 0.0000323300000000, 0.0004527300000000 ] - [ 0.0000260100000000, 0.0000056700000000, -0.0000539100000000 ] - [ 0.0000104000000000, -0.0000087300000000, -0.0000456400000000 ] - [ 0.0000026500000000, 0.0000054200000000, -0.0000492100000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0059378700000000, 0.0000000000000000, -0.0149735700000000 ] - [ -0.0012067000000000, -0.0003836400000000, -0.0032028900000000 ] - [ -0.0012067000000000, 0.0003836400000000, -0.0032028900000000 ] - [ 0.0003239200000000, 0.0000000000000000, 0.0013225600000000 ] - [ -0.0002384700000000, 0.0001908100000000, 0.0007699900000000 ] - [ -0.0002384700000000, -0.0001908100000000, 0.0007699900000000 ] - [ -0.0018784700000000, 0.0000000000000000, 0.0025766800000000 ] - [ -0.0012451600000000, -0.0010477900000000, 0.0010940000000000 ] - [ -0.0012451600000000, 0.0010477900000000, 0.0010940000000000 ] - [ -0.0144368900000000, 0.0000000000000000, 0.0002764400000000 ] - [ -0.0018839200000000, 0.0017587000000000, -0.0008091900000000 ] - [ -0.0018839200000000, -0.0017587000000000, -0.0008091900000000 ] - [ -0.0009427500000000, 0.0000000000000000, 0.0018704700000000 ] - [ -0.0008601300000000, 0.0003013200000000, 0.0015162800000000 ] - [ -0.0008601300000000, -0.0003013200000000, 0.0015162800000000 ] - [ 0.0013906700000000, 0.0000000000000000, 0.0010095300000000 ] - [ 0.0002317600000000, -0.0006384700000000, 0.0004510400000000 ] - [ 0.0002317600000000, 0.0006384700000000, 0.0004510400000000 ] - [ 0.0031487800000000, -0.0125698800000000, 0.0069202400000000 ] - [ 0.0009376700000000, 0.0000000000000000, -0.0007279900000000 ] - [ 0.0031487800000000, 0.0125698800000000, 0.0069202400000000 ] - [ 0.0059763800000000, 0.0110309000000000, 0.0077168200000000 ] - [ 0.0013561400000000, 0.0000000000000000, -0.0009548700000000 ] - [ 0.0059763800000000, -0.0110309000000000, 0.0077168200000000 ] - [ 0.0009659900000000, -0.0000633500000000, 0.0015269000000000 ] - [ 0.0008919400000000, 0.0000000000000000, 0.0011431300000000 ] - [ 0.0009659900000000, 0.0000633500000000, 0.0015269000000000 ] - [ -0.0009750500000000, -0.0003248700000000, -0.0015575800000000 ] - [ 0.0002799500000000, 0.0000000000000000, -0.0008872400000000 ] - [ -0.0009750500000000, 0.0003248700000000, -0.0015575800000000 ] - [ 0.0002244800000000, 0.0006732000000000, 0.0009688000000000 ] - [ 0.0006811500000000, 0.0000000000000000, 0.0006318400000000 ] - [ 0.0002244800000000, -0.0006732000000000, 0.0009688000000000 ] - [ 0.0005888100000000, -0.0000572500000000, 0.0013308700000000 ] - [ 0.0006452600000000, 0.0000000000000000, 0.0011352700000000 ] - [ 0.0005888100000000, 0.0000572500000000, 0.0013308700000000 ] - [ 0.0775913100000000, 0.0000000000000000, -0.2594570900000000 ] - [ 0.0016127600000000, 0.0001063900000000, -0.0020219000000000 ] - [ 0.0016127600000000, -0.0001063900000000, -0.0020219000000000 ] - [ 0.0001714800000000, 0.0000000000000000, 0.0008935300000000 ] - [ 0.0004343800000000, 0.0000265800000000, 0.0003368600000000 ] - [ 0.0004343800000000, -0.0000265800000000, 0.0003368600000000 ] - [ 0.0000124100000000, 0.0000000000000000, 0.0008880600000000 ] - [ 0.0004180100000000, 0.0000296500000000, 0.0003311100000000 ] - [ 0.0004180100000000, -0.0000296500000000, 0.0003311100000000 ] - [ 0.0001196700000000, 0.0000000000000000, -0.0008550500000000 ] - [ 0.0004778100000000, 0.0000628200000000, -0.0001876200000000 ] - [ 0.0004778100000000, -0.0000628200000000, -0.0001876200000000 ] - [ 0.0009183000000000, 0.0000000000000000, 0.0008228900000000 ] - [ 0.0008824700000000, 0.0000073400000000, 0.0007407500000000 ] - [ 0.0008824700000000, -0.0000073400000000, 0.0007407500000000 ] - [ 0.0005909000000000, 0.0000000000000000, 0.0002344200000000 ] - [ 0.0006377300000000, -0.0000383400000000, 0.0002086700000000 ] - [ 0.0006377300000000, 0.0000383400000000, 0.0002086700000000 ] - [ -0.0014867900000000, -0.0005398300000000, -0.0003521400000000 ] - [ -0.0009520500000000, 0.0000000000000000, -0.0005922800000000 ] - [ -0.0014867900000000, 0.0005398300000000, -0.0003521400000000 ] - [ -0.0006733400000000, -0.0000151600000000, -0.0003527800000000 ] - [ -0.0007843700000000, 0.0000000000000000, -0.0005973000000000 ] - [ -0.0006733400000000, 0.0000151600000000, -0.0003527800000000 ] - [ -0.0004117000000000, 0.0000008900000000, 0.0003551300000000 ] - [ -0.0004663600000000, 0.0000000000000000, 0.0002534600000000 ] - [ -0.0004117000000000, -0.0000008900000000, 0.0003551300000000 ] - [ 0.0002968800000000, -0.0002240700000000, -0.0016431500000000 ] - [ -0.0003860800000000, 0.0000000000000000, -0.0004478300000000 ] - [ 0.0002968800000000, 0.0002240700000000, -0.0016431500000000 ] - [ -0.0012022200000000, -0.0002846600000000, 0.0016152100000000 ] - [ -0.0008897000000000, 0.0000000000000000, 0.0006134100000000 ] - [ -0.0012022200000000, 0.0002846600000000, 0.0016152100000000 ] - [ -0.0008792900000000, -0.0000262200000000, 0.0007915100000000 ] - [ -0.0008562900000000, 0.0000000000000000, 0.0007018000000000 ] - [ -0.0008792900000000, 0.0000262200000000, 0.0007915100000000 ] - [ 0.0021757500000000, 0.0000000000000000, 0.0014305800000000 ] - [ 0.0004401800000000, 0.0000127900000000, 0.0009310700000000 ] - [ 0.0004401800000000, -0.0000127900000000, 0.0009310700000000 ] - [ -0.0002146000000000, 0.0000000000000000, -0.0006301600000000 ] - [ -0.0000968300000000, -0.0001429600000000, -0.0005108900000000 ] - [ -0.0000968300000000, 0.0001429600000000, -0.0005108900000000 ] - [ 0.0005023500000000, 0.0000000000000000, -0.0003337300000000 ] - [ 0.0003152200000000, 0.0001113200000000, -0.0001947300000000 ] - [ 0.0003152200000000, -0.0001113200000000, -0.0001947300000000 ] - [ 0.0019951900000000, -0.0017611300000000, 0.0022987000000000 ] - [ 0.0007078200000000, 0.0000000000000000, 0.0006091700000000 ] - [ 0.0019951900000000, 0.0017611300000000, 0.0022987000000000 ] - [ 0.0005771200000000, -0.0001172200000000, -0.0022353500000000 ] - [ 0.0002363400000000, 0.0000000000000000, -0.0013617100000000 ] - [ 0.0005771200000000, 0.0001172200000000, -0.0022353500000000 ] - [ -0.0000711600000000, 0.0002330500000000, -0.0015157200000000 ] - [ -0.0000044600000000, 0.0000000000000000, -0.0013687000000000 ] - [ -0.0000711600000000, -0.0002330500000000, -0.0015157200000000 ] - [ -0.0037517500000000, -0.0008070100000000, 0.0039725500000000 ] - [ -0.0003335700000000, 0.0000000000000000, 0.0019367600000000 ] - [ -0.0037517500000000, 0.0008070100000000, 0.0039725500000000 ] - [ 0.0003547000000000, -0.0001724900000000, -0.0004040200000000 ] - [ 0.0003300800000000, 0.0000000000000000, -0.0002264000000000 ] - [ 0.0003547000000000, 0.0001724900000000, -0.0004040200000000 ] - [ 0.0023077000000000, 0.0014374300000000, -0.0015573600000000 ] - [ 0.0005851900000000, 0.0000000000000000, 0.0007951800000000 ] - [ 0.0023077000000000, -0.0014374300000000, -0.0015573600000000 ] - [ -0.0931142000000000, 0.0000000000000000, 0.2623008300000000 ] - [ -0.0004903200000000, -0.0015712600000000, 0.0015052300000000 ] - [ -0.0004903200000000, 0.0015712600000000, 0.0015052300000000 ] - [ 0.0002095900000000, 0.0000000000000000, -0.0015265900000000 ] - [ 0.0000542300000000, -0.0000393600000000, -0.0009515100000000 ] - [ 0.0000542300000000, 0.0000393600000000, -0.0009515100000000 ] - [ -0.0012810200000000, 0.0000000000000000, -0.0025905400000000 ] - [ -0.0006470400000000, 0.0012597600000000, -0.0012157000000000 ] - [ -0.0006470400000000, -0.0012597600000000, -0.0012157000000000 ] - [ -0.0026718000000000, 0.0011041900000000, 0.0007039700000000 ] - [ -0.0005352900000000, 0.0000000000000000, 0.0007691600000000 ] - [ -0.0026718000000000, -0.0011041900000000, 0.0007039700000000 ] - [ 0.0021773100000000, -0.0023945200000000, -0.0022261900000000 ] - [ 0.0002053900000000, 0.0000000000000000, -0.0001339300000000 ] - [ 0.0021773100000000, 0.0023945200000000, -0.0022261900000000 ] - [ -0.0000162000000000, -0.0000318300000000, -0.0007847000000000 ] - [ -0.0000143500000000, 0.0000000000000000, -0.0006419100000000 ] - [ -0.0000162000000000, 0.0000318300000000, -0.0007847000000000 ] - [ -0.0005780500000000, 0.0000000000000000, -0.0000448800000000 ] - [ -0.0004793000000000, 0.0001970600000000, -0.0002022300000000 ] - [ -0.0004793000000000, -0.0001970600000000, -0.0002022300000000 ] - [ 0.0023997400000000, 0.0000000000000000, -0.0020612300000000 ] - [ 0.0002530600000000, -0.0003678000000000, -0.0005449500000000 ] - [ 0.0002530600000000, 0.0003678000000000, -0.0005449500000000 ] - [ 0.0000236100000000, 0.0000000000000000, -0.0017585300000000 ] - [ -0.0000272800000000, -0.0000004200000000, -0.0015953600000000 ] - [ -0.0000272800000000, 0.0000004200000000, -0.0015953600000000 ] - [ 0.0201600800000000, 0.0000000000000000, -0.0141185100000000 ] - [ 0.0001722500000000, 0.0022367300000000, 0.0031400300000000 ] - [ 0.0001722500000000, -0.0022367300000000, 0.0031400300000000 ] - [ -0.0020410800000000, 0.0000000000000000, -0.0024595700000000 ] - [ -0.0009996600000000, -0.0019018500000000, -0.0006806200000000 ] - [ -0.0009996600000000, 0.0019018500000000, -0.0006806200000000 ] - [ -0.0003895900000000, 0.0000000000000000, -0.0010645100000000 ] - [ -0.0004760800000000, 0.0000810900000000, -0.0004364800000000 ] - [ -0.0004760800000000, -0.0000810900000000, -0.0004364800000000 ] - [ 0.0023422400000000, 0.0015169600000000, 0.0010893900000000 ] - [ 0.0003196600000000, 0.0000000000000000, 0.0007117000000000 ] - [ 0.0023422400000000, -0.0015169600000000, 0.0010893900000000 ] - [ -0.0001244800000000, -0.0001660500000000, -0.0001807000000000 ] - [ -0.0000879500000000, 0.0000000000000000, 0.0000690900000000 ] - [ -0.0001244800000000, 0.0001660500000000, -0.0001807000000000 ] - [ 0.0001404800000000, 0.0001407300000000, -0.0010827300000000 ] - [ 0.0001360400000000, 0.0000000000000000, -0.0009190500000000 ] - [ 0.0001404800000000, -0.0001407300000000, -0.0010827300000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0045100200000000, 0.0000000000000000, 0.0146637200000000 ] - [ -0.0003568700000000, 0.0004069100000000, 0.0026759400000000 ] - [ -0.0003568700000000, -0.0004069100000000, 0.0026759400000000 ] - [ -0.0019238900000000, 0.0000000000000000, -0.0019392400000000 ] - [ -0.0013446900000000, -0.0001931700000000, -0.0013743900000000 ] - [ -0.0013446900000000, 0.0001931700000000, -0.0013743900000000 ] - [ 0.0003311100000000, 0.0000000000000000, -0.0032183700000000 ] - [ -0.0003156400000000, 0.0010718900000000, -0.0017025000000000 ] - [ -0.0003156400000000, -0.0010718900000000, -0.0017025000000000 ] - [ 0.0132507100000000, 0.0000000000000000, 0.0002735200000000 ] - [ 0.0003370500000000, -0.0018001200000000, 0.0014072200000000 ] - [ 0.0003370500000000, 0.0018001200000000, 0.0014072200000000 ] - [ -0.0006234300000000, 0.0000000000000000, -0.0013251800000000 ] - [ -0.0007088200000000, -0.0003076900000000, -0.0009634300000000 ] - [ -0.0007088200000000, 0.0003076900000000, -0.0009634300000000 ] - [ -0.0030042300000000, 0.0000000000000000, -0.0004290200000000 ] - [ -0.0018217100000000, 0.0006477300000000, 0.0001345400000000 ] - [ -0.0018217100000000, -0.0006477300000000, 0.0001345400000000 ] - [ -0.0016564700000000, 0.0128538700000000, -0.0076458600000000 ] - [ 0.0006273400000000, 0.0000000000000000, 0.0001512100000000 ] - [ -0.0016564700000000, -0.0128538700000000, -0.0076458600000000 ] - [ -0.0045580300000000, -0.0112314300000000, -0.0083681800000000 ] - [ 0.0001972900000000, 0.0000000000000000, 0.0003912700000000 ] - [ -0.0045580300000000, 0.0112314300000000, -0.0083681800000000 ] - [ 0.0005997900000000, 0.0000622700000000, -0.0021429600000000 ] - [ 0.0006766900000000, 0.0000000000000000, -0.0017501100000000 ] - [ 0.0005997900000000, -0.0000622700000000, -0.0021429600000000 ] - [ 0.0025953700000000, 0.0003300100000000, 0.0021749800000000 ] - [ 0.0013058800000000, 0.0000000000000000, 0.0014894000000000 ] - [ 0.0025953700000000, -0.0003300100000000, 0.0021749800000000 ] - [ 0.0013624200000000, -0.0006866100000000, -0.0003963500000000 ] - [ 0.0008943400000000, 0.0000000000000000, -0.0000530000000000 ] - [ 0.0013624200000000, 0.0006866100000000, -0.0003963500000000 ] - [ 0.0009885500000000, 0.0000569500000000, -0.0007744700000000 ] - [ 0.0009309700000000, 0.0000000000000000, -0.0005756200000000 ] - [ 0.0009885500000000, -0.0000569500000000, -0.0007744700000000 ] - [ -0.0658382600000000, 0.0000000000000000, 0.2383038800000000 ] - [ -0.0001840200000000, -0.0001073200000000, 0.0014528200000000 ] - [ -0.0001840200000000, 0.0001073200000000, 0.0014528200000000 ] - [ 0.0012871200000000, 0.0000000000000000, -0.0015279500000000 ] - [ 0.0010179900000000, -0.0000226300000000, -0.0009555500000000 ] - [ 0.0010179900000000, 0.0000226300000000, -0.0009555500000000 ] - [ 0.0014503000000000, 0.0000000000000000, -0.0015333600000000 ] - [ 0.0010359400000000, -0.0000268800000000, -0.0009626200000000 ] - [ 0.0010359400000000, 0.0000268800000000, -0.0009626200000000 ] - [ 0.0013424900000000, 0.0000000000000000, 0.0014828600000000 ] - [ 0.0009774300000000, -0.0000606000000000, 0.0008023200000000 ] - [ 0.0009774300000000, 0.0000606000000000, 0.0008023200000000 ] - [ 0.0005258200000000, 0.0000000000000000, -0.0002135500000000 ] - [ 0.0005626000000000, -0.0000042500000000, -0.0001303500000000 ] - [ 0.0005626000000000, 0.0000042500000000, -0.0001303500000000 ] - [ 0.0008589000000000, 0.0000000000000000, 0.0003750600000000 ] - [ 0.0008110000000000, 0.0000435800000000, 0.0003991400000000 ] - [ 0.0008110000000000, -0.0000435800000000, 0.0003991400000000 ] - [ 0.0000563300000000, 0.0005483200000000, -0.0002543600000000 ] - [ -0.0004905200000000, 0.0000000000000000, -0.0000106300000000 ] - [ 0.0000563300000000, -0.0005483200000000, -0.0002543600000000 ] - [ -0.0007714000000000, 0.0000109600000000, -0.0002544500000000 ] - [ -0.0006615800000000, 0.0000000000000000, -0.0000153500000000 ] - [ -0.0007714000000000, -0.0000109600000000, -0.0002544500000000 ] - [ -0.0010433700000000, -0.0000043200000000, -0.0009717600000000 ] - [ -0.0009876100000000, 0.0000000000000000, -0.0008676200000000 ] - [ -0.0010433700000000, 0.0000043200000000, -0.0009717600000000 ] - [ -0.0017571700000000, 0.0002183300000000, 0.0023054600000000 ] - [ -0.0010687200000000, 0.0000000000000000, 0.0010835700000000 ] - [ -0.0017571700000000, -0.0002183300000000, 0.0023054600000000 ] - [ -0.0002325500000000, 0.0002862900000000, -0.0010386200000000 ] - [ -0.0005528400000000, 0.0000000000000000, -0.0000123300000000 ] - [ -0.0002325500000000, -0.0002862900000000, -0.0010386200000000 ] - [ -0.0005665000000000, 0.0000233600000000, -0.0001974500000000 ] - [ -0.0005893700000000, 0.0000000000000000, -0.0001078300000000 ] - [ -0.0005665000000000, -0.0000233600000000, -0.0001974500000000 ] - [ -0.0022444000000000, 0.0000000000000000, -0.0013655800000000 ] - [ -0.0004816200000000, -0.0000134900000000, -0.0008435700000000 ] - [ -0.0004816200000000, 0.0000134900000000, -0.0008435700000000 ] - [ 0.0002020200000000, 0.0000000000000000, 0.0006992100000000 ] - [ 0.0000752000000000, 0.0001431000000000, 0.0005776000000000 ] - [ 0.0000752000000000, -0.0001431000000000, 0.0005776000000000 ] - [ -0.0005282300000000, 0.0000000000000000, 0.0003611300000000 ] - [ -0.0003471300000000, -0.0001120800000000, 0.0002050200000000 ] - [ -0.0003471300000000, 0.0001120800000000, 0.0002050200000000 ] - [ -0.0015247700000000, 0.0018060100000000, -0.0038561700000000 ] - [ -0.0002121600000000, 0.0000000000000000, -0.0021385800000000 ] - [ -0.0015247700000000, -0.0018060100000000, -0.0038561700000000 ] - [ -0.0000627100000000, 0.0001222200000000, 0.0006813900000000 ] - [ 0.0002711000000000, 0.0000000000000000, -0.0002082300000000 ] - [ -0.0000627100000000, -0.0001222200000000, 0.0006813900000000 ] - [ 0.0006008900000000, -0.0002449100000000, -0.0000074900000000 ] - [ 0.0005149600000000, 0.0000000000000000, -0.0001586600000000 ] - [ 0.0006008900000000, 0.0002449100000000, -0.0000074900000000 ] - [ 0.0043260000000000, 0.0007883400000000, -0.0025425500000000 ] - [ 0.0008558400000000, 0.0000000000000000, -0.0004634600000000 ] - [ 0.0043260000000000, -0.0007883400000000, -0.0025425500000000 ] - [ 0.0001688300000000, 0.0001688800000000, 0.0019641100000000 ] - [ 0.0001758200000000, 0.0000000000000000, 0.0017847200000000 ] - [ 0.0001688300000000, -0.0001688800000000, 0.0019641100000000 ] - [ -0.0018265000000000, -0.0014674200000000, 0.0031951600000000 ] - [ -0.0000824900000000, 0.0000000000000000, 0.0007872700000000 ] - [ -0.0018265000000000, 0.0014674200000000, 0.0031951600000000 ] - [ 0.0834905000000000, 0.0000000000000000, -0.2423605600000000 ] - [ 0.0004777300000000, 0.0016046800000000, -0.0016415000000000 ] - [ 0.0004777300000000, -0.0016046800000000, -0.0016415000000000 ] - [ -0.0002283500000000, 0.0000000000000000, 0.0015409600000000 ] - [ -0.0000793100000000, 0.0000417800000000, 0.0009652600000000 ] - [ -0.0000793100000000, -0.0000417800000000, 0.0009652600000000 ] - [ 0.0012925500000000, 0.0000000000000000, 0.0025878800000000 ] - [ 0.0006402300000000, -0.0012891500000000, 0.0011825900000000 ] - [ 0.0006402300000000, 0.0012891500000000, 0.0011825900000000 ] - [ 0.0027464700000000, -0.0011176700000000, -0.0006735200000000 ] - [ 0.0005651700000000, 0.0000000000000000, -0.0007285900000000 ] - [ 0.0027464700000000, 0.0011176700000000, -0.0006735200000000 ] - [ -0.0021995900000000, 0.0024500200000000, 0.0022755300000000 ] - [ -0.0001941600000000, 0.0000000000000000, 0.0001566100000000 ] - [ -0.0021995900000000, -0.0024500200000000, 0.0022755300000000 ] - [ 0.0000441400000000, 0.0000324200000000, 0.0009072100000000 ] - [ 0.0000337600000000, 0.0000000000000000, 0.0007504200000000 ] - [ 0.0000441400000000, -0.0000324200000000, 0.0009072100000000 ] - [ 0.0000716800000000, 0.0000000000000000, -0.0015517900000000 ] - [ -0.0000422500000000, -0.0002024600000000, -0.0013934000000000 ] - [ -0.0000422500000000, 0.0002024600000000, -0.0013934000000000 ] - [ -0.0029612500000000, 0.0000000000000000, 0.0005415800000000 ] - [ -0.0007915800000000, 0.0003839300000000, -0.0009953200000000 ] - [ -0.0007915800000000, -0.0003839300000000, -0.0009953200000000 ] - [ -0.0005376600000000, 0.0000000000000000, 0.0002795400000000 ] - [ -0.0004981400000000, -0.0000030000000000, 0.0001130400000000 ] - [ -0.0004981400000000, 0.0000030000000000, 0.0001130400000000 ] - [ -0.0214243500000000, 0.0000000000000000, 0.0162652900000000 ] - [ -0.0006980400000000, -0.0022716700000000, -0.0016521700000000 ] - [ -0.0006980400000000, 0.0022716700000000, -0.0016521700000000 ] - [ 0.0015986800000000, 0.0000000000000000, 0.0041261200000000 ] - [ 0.0004930800000000, 0.0019403000000000, 0.0022985800000000 ] - [ 0.0004930800000000, -0.0019403000000000, 0.0022985800000000 ] - [ -0.0001137500000000, 0.0000000000000000, 0.0026031700000000 ] - [ -0.0000380800000000, -0.0000863800000000, 0.0019607900000000 ] - [ -0.0000380800000000, 0.0000863800000000, 0.0019607900000000 ] - [ -0.0023735600000000, -0.0015542800000000, -0.0011165800000000 ] - [ -0.0003141500000000, 0.0000000000000000, -0.0007417500000000 ] - [ -0.0023735600000000, 0.0015542800000000, -0.0011165800000000 ] - [ 0.0001473800000000, 0.0001730100000000, 0.0001189900000000 ] - [ 0.0001069600000000, 0.0000000000000000, -0.0001286900000000 ] - [ 0.0001473800000000, -0.0001730100000000, 0.0001189900000000 ] - [ -0.0001173700000000, -0.0001440600000000, 0.0009980600000000 ] - [ -0.0001197500000000, 0.0000000000000000, 0.0008462900000000 ] - [ -0.0001173700000000, 0.0001440600000000, 0.0009980600000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0224152600000000, 0.0000000000000000, -0.0043842200000000 ] - [ -0.0001990500000000, 0.0047849100000000, -0.0007918600000000 ] - [ -0.0001990500000000, -0.0047849100000000, -0.0007918600000000 ] - [ 0.0001037900000000, 0.0000000000000000, 0.0011640000000000 ] - [ -0.0001989700000000, 0.0004196700000000, 0.0004683100000000 ] - [ -0.0001989700000000, -0.0004196700000000, 0.0004683100000000 ] - [ 0.0001312200000000, 0.0000000000000000, -0.0017698500000000 ] - [ -0.0002001100000000, 0.0006076800000000, -0.0011935500000000 ] - [ -0.0002001100000000, -0.0006076800000000, -0.0011935500000000 ] - [ -0.0158508300000000, 0.0000000000000000, -0.0049431000000000 ] - [ -0.0023456200000000, -0.0028928000000000, -0.0012911900000000 ] - [ -0.0023456200000000, 0.0028928000000000, -0.0012911900000000 ] - [ -0.0015614800000000, 0.0000000000000000, -0.0007430600000000 ] - [ -0.0012381400000000, -0.0003530200000000, -0.0001805900000000 ] - [ -0.0012381400000000, 0.0003530200000000, -0.0001805900000000 ] - [ -0.0031589200000000, 0.0000000000000000, 0.0018500300000000 ] - [ -0.0022602500000000, -0.0001479300000000, 0.0012624000000000 ] - [ -0.0022602500000000, 0.0001479300000000, 0.0012624000000000 ] - [ -0.0020810900000000, 0.0030931700000000, -0.0025519800000000 ] - [ -0.0003739300000000, 0.0000000000000000, -0.0009190900000000 ] - [ -0.0020810900000000, -0.0030931700000000, -0.0025519800000000 ] - [ -0.0036878500000000, 0.0005655700000000, 0.0020766000000000 ] - [ -0.0008759700000000, 0.0000000000000000, 0.0002674600000000 ] - [ -0.0036878500000000, -0.0005655700000000, 0.0020766000000000 ] - [ 0.0002914500000000, 0.0000890300000000, -0.0005034700000000 ] - [ 0.0003681400000000, 0.0000000000000000, -0.0004259000000000 ] - [ 0.0002914500000000, -0.0000890300000000, -0.0005034700000000 ] - [ 0.0145412600000000, -0.0006372300000000, 0.0002104800000000 ] - [ 0.0030486500000000, 0.0000000000000000, -0.0005358000000000 ] - [ 0.0145412600000000, 0.0006372300000000, 0.0002104800000000 ] - [ 0.0039214600000000, -0.0044240000000000, -0.0020516300000000 ] - [ 0.0016363700000000, 0.0000000000000000, -0.0000804000000000 ] - [ 0.0039214600000000, 0.0044240000000000, -0.0020516300000000 ] - [ 0.0013198100000000, -0.0001607400000000, 0.0003513400000000 ] - [ 0.0012735600000000, 0.0000000000000000, 0.0003707800000000 ] - [ 0.0013198100000000, 0.0001607400000000, 0.0003513400000000 ] - [ -0.0010713900000000, 0.0000000000000000, 0.0018979000000000 ] - [ 0.0001381100000000, 0.0000791100000000, 0.0001578200000000 ] - [ 0.0001381100000000, -0.0000791100000000, 0.0001578200000000 ] - [ 0.0003691600000000, 0.0000000000000000, 0.0002078300000000 ] - [ 0.0004822100000000, -0.0000116000000000, 0.0000259200000000 ] - [ 0.0004822100000000, 0.0000116000000000, 0.0000259200000000 ] - [ 0.0008994300000000, 0.0000000000000000, -0.0005164900000000 ] - [ 0.0007489400000000, 0.0000164700000000, -0.0003938800000000 ] - [ 0.0007489400000000, -0.0000164700000000, -0.0003938800000000 ] - [ 0.0516406400000000, 0.0000000000000000, 0.0892126800000000 ] - [ 0.0012874000000000, -0.0001087700000000, 0.0007875700000000 ] - [ 0.0012874000000000, 0.0001087700000000, 0.0007875700000000 ] - [ 0.0005193200000000, 0.0000000000000000, 0.0000940200000000 ] - [ 0.0006773500000000, 0.0000045700000000, 0.0002439300000000 ] - [ 0.0006773500000000, -0.0000045700000000, 0.0002439300000000 ] - [ 0.0019330000000000, 0.0000000000000000, 0.0015866400000000 ] - [ 0.0012688200000000, 0.0000708200000000, 0.0009430800000000 ] - [ 0.0012688200000000, -0.0000708200000000, 0.0009430800000000 ] - [ -0.0013358000000000, -0.0008558600000000, -0.0024865800000000 ] - [ -0.0007783400000000, 0.0000000000000000, -0.0005037900000000 ] - [ -0.0013358000000000, 0.0008558600000000, -0.0024865800000000 ] - [ 0.0001388100000000, 0.0004672300000000, 0.0023844700000000 ] - [ -0.0003581600000000, 0.0000000000000000, 0.0002366900000000 ] - [ 0.0001388100000000, -0.0004672300000000, 0.0023844700000000 ] - [ -0.0006809300000000, -0.0000076200000000, -0.0002708800000000 ] - [ -0.0006858200000000, 0.0000000000000000, -0.0002779300000000 ] - [ -0.0006809300000000, 0.0000076200000000, -0.0002708800000000 ] - [ -0.0020580700000000, 0.0002114900000000, 0.0026718000000000 ] - [ -0.0010684400000000, 0.0000000000000000, 0.0006274100000000 ] - [ -0.0020580700000000, -0.0002114900000000, 0.0026718000000000 ] - [ -0.0008245900000000, -0.0001624900000000, 0.0001649800000000 ] - [ -0.0006886100000000, 0.0000000000000000, 0.0002049200000000 ] - [ -0.0008245900000000, 0.0001624900000000, 0.0001649800000000 ] - [ -0.0008322500000000, 0.0000060200000000, 0.0004313900000000 ] - [ -0.0008252300000000, 0.0000000000000000, 0.0004280200000000 ] - [ -0.0008322500000000, -0.0000060200000000, 0.0004313900000000 ] - [ -0.1237558000000000, 0.0000000000000000, -0.1057735800000000 ] - [ -0.0026849600000000, -0.0000799400000000, 0.0001926600000000 ] - [ -0.0026849600000000, 0.0000799400000000, 0.0001926600000000 ] - [ -0.0013456600000000, 0.0000000000000000, 0.0009480000000000 ] - [ -0.0007754300000000, 0.0003990000000000, 0.0004426200000000 ] - [ -0.0007754300000000, -0.0003990000000000, 0.0004426200000000 ] - [ -0.0013436900000000, 0.0000000000000000, -0.0010350800000000 ] - [ -0.0007755300000000, -0.0000651700000000, -0.0003980300000000 ] - [ -0.0007755300000000, 0.0000651700000000, -0.0003980300000000 ] - [ 0.0073671400000000, 0.0075162800000000, -0.0017304500000000 ] - [ 0.0000880000000000, 0.0000000000000000, -0.0012083500000000 ] - [ 0.0073671400000000, -0.0075162800000000, -0.0017304500000000 ] - [ 0.0009016700000000, 0.0005711300000000, 0.0001885000000000 ] - [ 0.0003365400000000, 0.0000000000000000, -0.0005932300000000 ] - [ 0.0009016700000000, -0.0005711300000000, 0.0001885000000000 ] - [ 0.0003485900000000, 0.0000980600000000, -0.0011954300000000 ] - [ 0.0003769100000000, 0.0000000000000000, -0.0011887800000000 ] - [ 0.0003485900000000, -0.0000980600000000, -0.0011954300000000 ] - [ 0.0051260400000000, -0.0069002100000000, -0.0039087600000000 ] - [ 0.0006400000000000, 0.0000000000000000, -0.0003732000000000 ] - [ 0.0051260400000000, 0.0069002100000000, -0.0039087600000000 ] - [ 0.0002596800000000, -0.0000835100000000, 0.0005078400000000 ] - [ 0.0002334800000000, 0.0000000000000000, 0.0005762700000000 ] - [ 0.0002596800000000, 0.0000835100000000, 0.0005078400000000 ] - [ 0.0006292400000000, -0.0002383700000000, 0.0029461100000000 ] - [ 0.0002038000000000, 0.0000000000000000, 0.0011522200000000 ] - [ 0.0006292400000000, 0.0002383700000000, 0.0029461100000000 ] - [ 0.0039649200000000, 0.0000000000000000, -0.0017043600000000 ] - [ 0.0019965900000000, -0.0002074600000000, -0.0003298000000000 ] - [ 0.0019965900000000, 0.0002074600000000, -0.0003298000000000 ] - [ 0.0006196200000000, 0.0000000000000000, -0.0003059600000000 ] - [ 0.0004680600000000, 0.0000167900000000, -0.0001811900000000 ] - [ 0.0004680600000000, -0.0000167900000000, -0.0001811900000000 ] - [ 0.0012726100000000, 0.0000000000000000, 0.0008731000000000 ] - [ 0.0009816300000000, -0.0003543400000000, 0.0004076000000000 ] - [ 0.0009816300000000, 0.0003543400000000, 0.0004076000000000 ] - [ 0.0022986500000000, -0.0002009600000000, -0.0017800700000000 ] - [ 0.0011060700000000, 0.0000000000000000, -0.0002656400000000 ] - [ 0.0022986500000000, 0.0002009600000000, -0.0017800700000000 ] - [ 0.0022952400000000, 0.0007252500000000, 0.0006724400000000 ] - [ 0.0011071000000000, 0.0000000000000000, 0.0005333500000000 ] - [ 0.0022952400000000, -0.0007252500000000, 0.0006724400000000 ] - [ 0.0004331900000000, 0.0000308400000000, 0.0001150700000000 ] - [ 0.0003864500000000, 0.0000000000000000, 0.0000841200000000 ] - [ 0.0004331900000000, -0.0000308400000000, 0.0001150700000000 ] - [ -0.0012346600000000, 0.0000000000000000, -0.0068605500000000 ] - [ 0.0007195000000000, 0.0036882800000000, -0.0030474300000000 ] - [ 0.0007195000000000, -0.0036882800000000, -0.0030474300000000 ] - [ 0.0050878500000000, 0.0000000000000000, 0.0239504600000000 ] - [ -0.0009574300000000, 0.0009717800000000, -0.0007902600000000 ] - [ -0.0009574300000000, -0.0009717800000000, -0.0007902600000000 ] - [ -0.0003128000000000, 0.0000000000000000, -0.0004572800000000 ] - [ -0.0003642300000000, 0.0000535700000000, -0.0006136700000000 ] - [ -0.0003642300000000, -0.0000535700000000, -0.0006136700000000 ] - [ 0.0117866400000000, 0.0000000000000000, 0.0105727300000000 ] - [ 0.0008214600000000, -0.0009977600000000, 0.0009134900000000 ] - [ 0.0008214600000000, 0.0009977600000000, 0.0009134900000000 ] - [ 0.0001019400000000, 0.0000000000000000, -0.0003707300000000 ] - [ 0.0000267800000000, -0.0004955200000000, 0.0000582500000000 ] - [ 0.0000267800000000, 0.0004955200000000, 0.0000582500000000 ] - [ -0.0000850000000000, 0.0000000000000000, 0.0012212900000000 ] - [ -0.0000875200000000, -0.0000794300000000, 0.0010189200000000 ] - [ -0.0000875200000000, 0.0000794300000000, 0.0010189200000000 ] - [ -0.0006544800000000, -0.0057897000000000, 0.0068610200000000 ] - [ -0.0011860200000000, 0.0000000000000000, 0.0005252400000000 ] - [ -0.0006544800000000, 0.0057897000000000, 0.0068610200000000 ] - [ -0.0017490400000000, -0.0002739400000000, -0.0024293400000000 ] - [ -0.0007322400000000, 0.0000000000000000, -0.0005517300000000 ] - [ -0.0017490400000000, 0.0002739400000000, -0.0024293400000000 ] - [ -0.0004803000000000, -0.0000371700000000, 0.0001539500000000 ] - [ -0.0003923800000000, 0.0000000000000000, 0.0001259400000000 ] - [ -0.0004803000000000, 0.0000371700000000, 0.0001539500000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0262144500000000, 0.0000000000000000, 0.0034424900000000 ] - [ -0.0014047600000000, -0.0048243000000000, 0.0002135200000000 ] - [ -0.0014047600000000, 0.0048243000000000, 0.0002135200000000 ] - [ -0.0016950000000000, 0.0000000000000000, -0.0017562000000000 ] - [ -0.0013841500000000, -0.0004176100000000, -0.0010588200000000 ] - [ -0.0013841500000000, 0.0004176100000000, -0.0010588200000000 ] - [ -0.0017135100000000, 0.0000000000000000, 0.0012088700000000 ] - [ -0.0013793000000000, -0.0006132200000000, 0.0006261700000000 ] - [ -0.0013793000000000, 0.0006132200000000, 0.0006261700000000 ] - [ 0.0142599300000000, 0.0000000000000000, 0.0053733100000000 ] - [ 0.0007952100000000, 0.0028852800000000, 0.0018505300000000 ] - [ 0.0007952100000000, -0.0028852800000000, 0.0018505300000000 ] - [ 0.0000011300000000, 0.0000000000000000, 0.0013366000000000 ] - [ -0.0003270900000000, 0.0003594500000000, 0.0007640400000000 ] - [ -0.0003270900000000, -0.0003594500000000, 0.0007640400000000 ] - [ 0.0016207900000000, 0.0000000000000000, -0.0012645800000000 ] - [ 0.0007159000000000, 0.0001428300000000, -0.0006810200000000 ] - [ 0.0007159000000000, -0.0001428300000000, -0.0006810200000000 ] - [ 0.0036721900000000, -0.0031363100000000, 0.0020009200000000 ] - [ 0.0019535100000000, 0.0000000000000000, 0.0003421600000000 ] - [ 0.0036721900000000, 0.0031363100000000, 0.0020009200000000 ] - [ 0.0052925300000000, -0.0005751200000000, -0.0026916500000000 ] - [ 0.0024537900000000, 0.0000000000000000, -0.0008577900000000 ] - [ 0.0052925300000000, 0.0005751200000000, -0.0026916500000000 ] - [ 0.0012839400000000, -0.0000923700000000, -0.0000702800000000 ] - [ 0.0012080700000000, 0.0000000000000000, -0.0001495200000000 ] - [ 0.0012839400000000, 0.0000923700000000, -0.0000702800000000 ] - [ -0.0130286800000000, 0.0007705100000000, 0.0002520100000000 ] - [ -0.0014837400000000, 0.0000000000000000, 0.0011221400000000 ] - [ -0.0130286800000000, -0.0007705100000000, 0.0002520100000000 ] - [ -0.0023744400000000, 0.0045030000000000, 0.0026892900000000 ] - [ -0.0000678100000000, 0.0000000000000000, 0.0006691400000000 ] - [ -0.0023744400000000, -0.0045030000000000, 0.0026892900000000 ] - [ 0.0002482700000000, 0.0001601100000000, 0.0002283300000000 ] - [ 0.0002945700000000, 0.0000000000000000, 0.0002051500000000 ] - [ 0.0002482700000000, -0.0001601100000000, 0.0002283300000000 ] - [ 0.0025387400000000, 0.0000000000000000, -0.0025214100000000 ] - [ 0.0013123400000000, -0.0000779800000000, -0.0007627900000000 ] - [ 0.0013123400000000, 0.0000779800000000, -0.0007627900000000 ] - [ 0.0010799400000000, 0.0000000000000000, -0.0008205800000000 ] - [ 0.0009661300000000, 0.0000161600000000, -0.0006357000000000 ] - [ 0.0009661300000000, -0.0000161600000000, -0.0006357000000000 ] - [ 0.0005444700000000, 0.0000000000000000, -0.0000983400000000 ] - [ 0.0006968300000000, -0.0000132400000000, -0.0002206200000000 ] - [ 0.0006968300000000, 0.0000132400000000, -0.0002206200000000 ] - [ -0.0515560400000000, 0.0000000000000000, -0.0870855600000000 ] - [ 0.0001644300000000, 0.0001182800000000, -0.0001821100000000 ] - [ 0.0001644300000000, -0.0001182800000000, -0.0001821100000000 ] - [ 0.0009315800000000, 0.0000000000000000, 0.0005303000000000 ] - [ 0.0007712400000000, -0.0000015300000000, 0.0003764400000000 ] - [ 0.0007712400000000, 0.0000015300000000, 0.0003764400000000 ] - [ -0.0004987200000000, 0.0000000000000000, -0.0009888300000000 ] - [ 0.0001692400000000, -0.0000688500000000, -0.0003467600000000 ] - [ 0.0001692400000000, 0.0000688500000000, -0.0003467600000000 ] - [ -0.0001082400000000, 0.0008577600000000, 0.0018921400000000 ] - [ -0.0006681000000000, 0.0000000000000000, -0.0001034000000000 ] - [ -0.0001082400000000, -0.0008577600000000, 0.0018921400000000 ] - [ -0.0016080900000000, -0.0004693800000000, -0.0030327600000000 ] - [ -0.0010943100000000, 0.0000000000000000, -0.0008628400000000 ] - [ -0.0016080900000000, 0.0004693800000000, -0.0030327600000000 ] - [ -0.0007665100000000, 0.0000043700000000, -0.0003299800000000 ] - [ -0.0007620900000000, 0.0000000000000000, -0.0003237300000000 ] - [ -0.0007665100000000, -0.0000043700000000, -0.0003299800000000 ] - [ 0.0006135100000000, -0.0002129400000000, -0.0020457100000000 ] - [ -0.0003759800000000, 0.0000000000000000, -0.0000081400000000 ] - [ 0.0006135100000000, 0.0002129400000000, -0.0020457100000000 ] - [ -0.0006133800000000, 0.0001623100000000, 0.0004356300000000 ] - [ -0.0007540500000000, 0.0000000000000000, 0.0003985700000000 ] - [ -0.0006133800000000, -0.0001623100000000, 0.0004356300000000 ] - [ -0.0006149000000000, -0.0000095300000000, 0.0001712300000000 ] - [ -0.0006207200000000, 0.0000000000000000, 0.0001709000000000 ] - [ -0.0006149000000000, 0.0000095300000000, 0.0001712300000000 ] - [ 0.1277945600000000, 0.0000000000000000, 0.1051721600000000 ] - [ 0.0026732900000000, 0.0000481600000000, -0.0000817600000000 ] - [ 0.0026732900000000, -0.0000481600000000, -0.0000817600000000 ] - [ 0.0013413500000000, 0.0000000000000000, -0.0009035300000000 ] - [ 0.0007608400000000, -0.0004091100000000, -0.0003910600000000 ] - [ 0.0007608400000000, 0.0004091100000000, -0.0003910600000000 ] - [ 0.0013433600000000, 0.0000000000000000, 0.0010652700000000 ] - [ 0.0007610600000000, 0.0000686700000000, 0.0004123300000000 ] - [ 0.0007610600000000, -0.0000686700000000, 0.0004123300000000 ] - [ -0.0067680900000000, -0.0074108600000000, 0.0002255100000000 ] - [ 0.0004070200000000, 0.0000000000000000, -0.0002964600000000 ] - [ -0.0067680900000000, 0.0074108600000000, 0.0002255100000000 ] - [ -0.0003935000000000, -0.0005784000000000, -0.0017866000000000 ] - [ 0.0001680200000000, 0.0000000000000000, -0.0009882300000000 ] - [ -0.0003935000000000, 0.0005784000000000, -0.0017866000000000 ] - [ 0.0001724900000000, -0.0001052900000000, -0.0003412200000000 ] - [ 0.0001255800000000, 0.0000000000000000, -0.0003472900000000 ] - [ 0.0001724900000000, 0.0001052900000000, -0.0003412200000000 ] - [ -0.0046321800000000, 0.0069986100000000, 0.0054789700000000 ] - [ -0.0001285200000000, 0.0000000000000000, 0.0018843900000000 ] - [ -0.0046321800000000, -0.0069986100000000, 0.0054789700000000 ] - [ 0.0002680000000000, 0.0000751500000000, 0.0010282200000000 ] - [ 0.0002760900000000, 0.0000000000000000, 0.0009627300000000 ] - [ 0.0002680000000000, -0.0000751500000000, 0.0010282200000000 ] - [ -0.0001017000000000, 0.0002440800000000, -0.0013817100000000 ] - [ 0.0003089500000000, 0.0000000000000000, 0.0004268200000000 ] - [ -0.0001017000000000, -0.0002440800000000, -0.0013817100000000 ] - [ -0.0040123800000000, 0.0000000000000000, 0.0016308800000000 ] - [ -0.0020327400000000, 0.0002134600000000, 0.0002267400000000 ] - [ -0.0020327400000000, -0.0002134600000000, 0.0002267400000000 ] - [ -0.0006400000000000, 0.0000000000000000, 0.0002869100000000 ] - [ -0.0004971000000000, -0.0000157400000000, 0.0001757700000000 ] - [ -0.0004971000000000, 0.0000157400000000, 0.0001757700000000 ] - [ -0.0013035000000000, 0.0000000000000000, -0.0009470800000000 ] - [ -0.0010129700000000, 0.0003574600000000, -0.0004774700000000 ] - [ -0.0010129700000000, -0.0003574600000000, -0.0004774700000000 ] - [ -0.0022933300000000, 0.0002063500000000, 0.0018280600000000 ] - [ -0.0011003000000000, 0.0000000000000000, 0.0003214800000000 ] - [ -0.0022933300000000, -0.0002063500000000, 0.0018280600000000 ] - [ -0.0022968100000000, -0.0007330600000000, -0.0006497700000000 ] - [ -0.0010991000000000, 0.0000000000000000, -0.0005057000000000 ] - [ -0.0022968100000000, 0.0007330600000000, -0.0006497700000000 ] - [ -0.0004111500000000, -0.0000316700000000, -0.0000088700000000 ] - [ -0.0003738200000000, 0.0000000000000000, 0.0000148700000000 ] - [ -0.0004111500000000, 0.0000316700000000, -0.0000088700000000 ] - [ 0.0006900900000000, 0.0000000000000000, 0.0053340000000000 ] - [ -0.0012537100000000, -0.0037450800000000, 0.0015053700000000 ] - [ -0.0012537100000000, 0.0037450800000000, 0.0015053700000000 ] - [ -0.0058087200000000, 0.0000000000000000, -0.0256168700000000 ] - [ 0.0004196300000000, -0.0009793100000000, -0.0007407200000000 ] - [ 0.0004196300000000, 0.0009793100000000, -0.0007407200000000 ] - [ -0.0001956500000000, 0.0000000000000000, -0.0010498800000000 ] - [ -0.0001561400000000, -0.0000575100000000, -0.0008896900000000 ] - [ -0.0001561400000000, 0.0000575100000000, -0.0008896900000000 ] - [ -0.0124680200000000, 0.0000000000000000, -0.0091784700000000 ] - [ -0.0013502800000000, 0.0010196300000000, 0.0006231900000000 ] - [ -0.0013502800000000, -0.0010196300000000, 0.0006231900000000 ] - [ -0.0006071100000000, 0.0000000000000000, 0.0019703000000000 ] - [ -0.0005478900000000, 0.0004976700000000, 0.0015392300000000 ] - [ -0.0005478900000000, -0.0004976700000000, 0.0015392300000000 ] - [ -0.0004235000000000, 0.0000000000000000, 0.0002722800000000 ] - [ -0.0004336300000000, 0.0000765600000000, 0.0004769500000000 ] - [ -0.0004336300000000, -0.0000765600000000, 0.0004769500000000 ] - [ 0.0006864500000000, 0.0058891700000000, -0.0069333100000000 ] - [ 0.0012168100000000, 0.0000000000000000, -0.0005479100000000 ] - [ 0.0006864500000000, -0.0058891700000000, -0.0069333100000000 ] - [ 0.0018021700000000, 0.0002719000000000, 0.0023893800000000 ] - [ 0.0007591900000000, 0.0000000000000000, 0.0005002000000000 ] - [ 0.0018021700000000, -0.0002719000000000, 0.0023893800000000 ] - [ 0.0005107200000000, 0.0000376900000000, -0.0002684400000000 ] - [ 0.0004164300000000, 0.0000000000000000, -0.0002219600000000 ] - [ 0.0005107200000000, -0.0000376900000000, -0.0002684400000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007631200000000, 0.0118565500000000, -0.0003322500000000 ] - [ 0.0025769700000000, -0.0041903300000000, -0.0001335900000000 ] - [ -0.0041156200000000, -0.0041985300000000, -0.0004541500000000 ] - [ -0.0007938400000000, 0.0010884800000000, -0.0002881800000000 ] - [ -0.0006777500000000, -0.0005420800000000, -0.0007450000000000 ] - [ -0.0009009900000000, -0.0005500700000000, 0.0001618800000000 ] - [ -0.0007840700000000, 0.0014145600000000, -0.0002858400000000 ] - [ -0.0005398300000000, -0.0007236500000000, 0.0002754600000000 ] - [ -0.0010305700000000, -0.0007259800000000, -0.0008470000000000 ] - [ -0.0007400100000000, 0.0066665800000000, 0.0002603500000000 ] - [ -0.0022434100000000, -0.0028662000000000, -0.0012533400000000 ] - [ 0.0006573900000000, -0.0028755500000000, 0.0018084700000000 ] - [ -0.0007838000000000, 0.0003859100000000, 0.0003006400000000 ] - [ -0.0008197200000000, -0.0001913700000000, 0.0002111500000000 ] - [ -0.0007532000000000, -0.0002002400000000, 0.0003785500000000 ] - [ -0.0007990000000000, 0.0016170000000000, 0.0003004800000000 ] - [ -0.0025782700000000, -0.0007442700000000, 0.0019711900000000 ] - [ 0.0009879200000000, -0.0007451200000000, -0.0013711100000000 ] - [ 0.0012222800000000, 0.0007569100000000, 0.0000390300000000 ] - [ 0.0007862600000000, -0.0014576300000000, -0.0002932700000000 ] - [ 0.0003479000000000, 0.0007405400000000, -0.0006346900000000 ] - [ 0.0016913000000000, 0.0005687000000000, -0.0012379200000000 ] - [ 0.0007882700000000, -0.0011082100000000, -0.0002937700000000 ] - [ -0.0001166700000000, 0.0005618500000000, 0.0006565200000000 ] - [ 0.0008196900000000, 0.0001741000000000, -0.0002222900000000 ] - [ 0.0007878200000000, -0.0003482600000000, -0.0002852900000000 ] - [ 0.0007549500000000, 0.0001737800000000, -0.0003478900000000 ] - [ 0.0022017800000000, 0.0109588900000000, -0.0005152200000000 ] - [ 0.0007824400000000, -0.0084522100000000, 0.0002927500000000 ] - [ -0.0003183400000000, 0.0103850800000000, 0.0004292800000000 ] - [ -0.0000713800000000, 0.0007710800000000, -0.0019557500000000 ] - [ 0.0007876000000000, -0.0018358900000000, 0.0002879300000000 ] - [ 0.0016252400000000, 0.0006805000000000, 0.0025714000000000 ] - [ 0.0007595700000000, 0.0004134500000000, 0.0006914200000000 ] - [ 0.0007881400000000, -0.0008320900000000, 0.0002954100000000 ] - [ 0.0008161400000000, 0.0004130900000000, -0.0000969400000000 ] - [ 0.0007227600000000, 0.0002128300000000, -0.0003011900000000 ] - [ 0.0007460600000000, -0.0001208400000000, -0.0003169900000000 ] - [ 0.0007041600000000, -0.0001247200000000, -0.0002914800000000 ] - [ 0.0007232900000000, 0.0000142100000000, -0.0003034900000000 ] - [ 0.0007730000000000, -0.0000049400000000, -0.0004158000000000 ] - [ 0.0006739100000000, -0.0000095400000000, -0.0001903500000000 ] - [ 0.0007242000000000, 0.0000265200000000, -0.0003094500000000 ] - [ 0.0006914200000000, -0.0000095100000000, -0.0001657000000000 ] - [ 0.0007562200000000, -0.0000127900000000, -0.0004513900000000 ] - [ 0.0002779100000000, 0.0197339800000000, -0.0009447900000000 ] - [ -0.0002474000000000, -0.0011199100000000, -0.0012980800000000 ] - [ 0.0016822000000000, -0.0011144600000000, 0.0018790100000000 ] - [ 0.0007271700000000, -0.0000242500000000, 0.0003151800000000 ] - [ 0.0007114000000000, 0.0000036700000000, 0.0002723600000000 ] - [ 0.0007398900000000, 0.0000007400000000, 0.0003527500000000 ] - [ 0.0007260000000000, 0.0001702200000000, 0.0003104700000000 ] - [ 0.0013951700000000, 0.0000197200000000, 0.0015838900000000 ] - [ 0.0000574500000000, 0.0000162300000000, -0.0009670500000000 ] - [ 0.0000057500000000, 0.0009234300000000, 0.0021218300000000 ] - [ -0.0007221300000000, -0.0001120900000000, -0.0003023300000000 ] - [ -0.0014499200000000, 0.0009329100000000, -0.0027252800000000 ] - [ -0.0003882200000000, -0.0000974500000000, -0.0014220400000000 ] - [ -0.0007245300000000, -0.0001878500000000, -0.0003133200000000 ] - [ -0.0010604800000000, -0.0000989000000000, 0.0007990300000000 ] - [ -0.0007099000000000, -0.0000063600000000, -0.0002684100000000 ] - [ -0.0007238900000000, 0.0000100700000000, -0.0003001600000000 ] - [ -0.0007377400000000, -0.0000032000000000, -0.0003317200000000 ] - [ -0.0015676300000000, 0.0002503500000000, 0.0018451000000000 ] - [ -0.0007250200000000, -0.0002593600000000, 0.0003099600000000 ] - [ 0.0001161900000000, 0.0002531100000000, -0.0012255200000000 ] - [ -0.0005992200000000, 0.0000376300000000, 0.0001330200000000 ] - [ -0.0007230500000000, -0.0000440800000000, 0.0003036600000000 ] - [ -0.0008432400000000, 0.0000382000000000, 0.0004741300000000 ] - [ -0.0007942900000000, 0.0000054200000000, 0.0004483300000000 ] - [ -0.0007258800000000, -0.0000118200000000, 0.0003043900000000 ] - [ -0.0006582700000000, 0.0000087700000000, 0.0001626300000000 ] - [ 0.0001115300000000, -0.0649420100000000, 0.0021647800000000 ] - [ 0.0000516900000000, 0.0068809700000000, 0.0000748100000000 ] - [ -0.0000841700000000, 0.0068131500000000, 0.0000392900000000 ] - [ -0.0000056200000000, -0.0003568500000000, 0.0000169400000000 ] - [ 0.0000583600000000, 0.0001314200000000, 0.0000913000000000 ] - [ -0.0000804200000000, 0.0001441900000000, -0.0000463200000000 ] - [ -0.0000096000000000, -0.0003612100000000, 0.0000014900000000 ] - [ -0.0004140100000000, 0.0001408700000000, -0.0012199100000000 ] - [ 0.0003843000000000, 0.0001390600000000, 0.0012121700000000 ] - [ 0.0075938900000000, 0.0011322200000000, 0.0007924700000000 ] - [ 0.0002614800000000, 0.0021852900000000, -0.0007428900000000 ] - [ -0.0070214100000000, 0.0011583000000000, -0.0022625600000000 ] - [ 0.0003592000000000, -0.0001593700000000, -0.0004912700000000 ] - [ 0.0002539600000000, 0.0002789200000000, -0.0007898200000000 ] - [ 0.0001511300000000, -0.0001500500000000, -0.0011093400000000 ] - [ 0.0002661400000000, -0.0005346600000000, -0.0010955100000000 ] - [ 0.0002537200000000, 0.0011128800000000, -0.0007741000000000 ] - [ 0.0002591800000000, -0.0005276500000000, -0.0004521500000000 ] - [ -0.0035497700000000, -0.0000544900000000, 0.0016119700000000 ] - [ 0.0002500400000000, 0.0020400700000000, 0.0007543300000000 ] - [ 0.0040625400000000, -0.0000312400000000, -0.0001086300000000 ] - [ 0.0002172900000000, -0.0001583300000000, 0.0008066000000000 ] - [ 0.0002543900000000, 0.0003187200000000, 0.0007656900000000 ] - [ 0.0003103400000000, -0.0001476700000000, 0.0007212000000000 ] - [ -0.0005498600000000, -0.0003544700000000, -0.0010722700000000 ] - [ 0.0002536500000000, 0.0005971100000000, 0.0007876000000000 ] - [ 0.0010694200000000, -0.0003560200000000, 0.0026516000000000 ] - [ -0.0000134300000000, -0.0009652200000000, -0.0000442600000000 ] - [ 0.0002010500000000, 0.0005144300000000, 0.0002532700000000 ] - [ -0.0002276300000000, 0.0005173200000000, -0.0003503500000000 ] - [ -0.0000086900000000, -0.0001128100000000, -0.0000108600000000 ] - [ -0.0000244300000000, 0.0000568300000000, 0.0000972900000000 ] - [ -0.0000017300000000, 0.0000561200000000, -0.0001050200000000 ] - [ -0.0000056900000000, -0.0005272900000000, -0.0000260900000000 ] - [ 0.0003489700000000, 0.0002980500000000, -0.0001549500000000 ] - [ -0.0003677800000000, 0.0003026000000000, 0.0000998100000000 ] - [ 0.0007494900000000, -0.0004848100000000, -0.0014501200000000 ] - [ 0.0000133800000000, 0.0009444200000000, 0.0000270300000000 ] - [ -0.0007138600000000, -0.0004865200000000, 0.0015037800000000 ] - [ -0.0001911200000000, -0.0004908000000000, 0.0003391200000000 ] - [ 0.0000082300000000, 0.0009401900000000, 0.0000104700000000 ] - [ 0.0002064800000000, -0.0004762700000000, -0.0003284200000000 ] - [ 0.0000498000000000, -0.0000522900000000, -0.0000769400000000 ] - [ 0.0000108400000000, 0.0001031900000000, 0.0000408200000000 ] - [ -0.0000204000000000, -0.0000507200000000, 0.0001708000000000 ] - [ -0.0002266100000000, -0.0088485400000000, -0.0008085600000000 ] - [ 0.0020098100000000, 0.0097720700000000, -0.0057209100000000 ] - [ -0.0025155200000000, 0.0097194300000000, 0.0041051100000000 ] - [ -0.0003425200000000, -0.0079339200000000, -0.0009134900000000 ] - [ 0.0002504700000000, 0.0009482300000000, 0.0010318900000000 ] - [ -0.0007728300000000, 0.0009549500000000, -0.0025411100000000 ] - [ -0.0002535200000000, -0.0002749200000000, -0.0007570400000000 ] - [ -0.0002106100000000, 0.0001349400000000, -0.0007650000000000 ] - [ -0.0003080000000000, 0.0001394600000000, -0.0007435600000000 ] - [ -0.0002254500000000, -0.0007361900000000, 0.0007976400000000 ] - [ -0.0010285800000000, 0.0007059900000000, 0.0001786800000000 ] - [ 0.0004990400000000, 0.0007015500000000, 0.0013567200000000 ] - [ -0.0002527500000000, -0.0008605300000000, 0.0007898500000000 ] - [ -0.0003131900000000, 0.0004240800000000, 0.0009927200000000 ] - [ -0.0002084600000000, 0.0004310500000000, 0.0005906500000000 ] - [ -0.0002549200000000, -0.0002503100000000, 0.0007467200000000 ] - [ -0.0003381400000000, 0.0001227400000000, 0.0004800100000000 ] - [ -0.0001833500000000, 0.0001269200000000, 0.0010119500000000 ] - [ -0.0058515400000000, 0.0006720300000000, -0.0059315800000000 ] - [ 0.0000016500000000, 0.0017423800000000, -0.0000100300000000 ] - [ 0.0058177900000000, 0.0006623400000000, 0.0059143800000000 ] - [ -0.0002532600000000, -0.0000839500000000, 0.0012751500000000 ] - [ 0.0000099500000000, 0.0004417600000000, -0.0000240400000000 ] - [ 0.0002875700000000, -0.0000774400000000, -0.0013315000000000 ] - [ -0.0000200500000000, -0.0001485800000000, -0.0001626400000000 ] - [ 0.0000097100000000, 0.0003014100000000, -0.0000478200000000 ] - [ 0.0000469400000000, -0.0001479000000000, 0.0000533800000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0026239600000000, 0.0000000000000000, 0.0133555300000000 ] - [ -0.0017204200000000, 0.0007048300000000, 0.0035402200000000 ] - [ -0.0017204200000000, -0.0007048300000000, 0.0035402200000000 ] - [ 0.0013892500000000, 0.0000000000000000, -0.0023401500000000 ] - [ 0.0002576000000000, -0.0010023300000000, -0.0012576700000000 ] - [ 0.0002576000000000, 0.0010023300000000, -0.0012576700000000 ] - [ -0.0015735000000000, 0.0000000000000000, -0.0024822100000000 ] - [ -0.0012638000000000, 0.0005475200000000, -0.0018988900000000 ] - [ -0.0012638000000000, -0.0005475200000000, -0.0018988900000000 ] - [ -0.0104773500000000, 0.0000000000000000, 0.0106191800000000 ] - [ -0.0013918400000000, -0.0009937600000000, 0.0032183400000000 ] - [ -0.0013918400000000, 0.0009937600000000, 0.0032183400000000 ] - [ -0.0017194300000000, 0.0000000000000000, -0.0031253500000000 ] - [ -0.0011354200000000, -0.0009831600000000, -0.0016617800000000 ] - [ -0.0011354200000000, 0.0009831600000000, -0.0016617800000000 ] - [ 0.0029676700000000, 0.0000000000000000, -0.0022325300000000 ] - [ 0.0011271500000000, 0.0002289200000000, -0.0011505800000000 ] - [ 0.0011271500000000, -0.0002289200000000, -0.0011505800000000 ] - [ 0.0000167100000000, 0.0001603800000000, 0.0000274600000000 ] - [ 0.0008700200000000, 0.0000000000000000, -0.0001334300000000 ] - [ 0.0000167100000000, -0.0001603800000000, 0.0000274600000000 ] - [ 0.0003903900000000, -0.0005928000000000, 0.0007065600000000 ] - [ 0.0003857500000000, 0.0000000000000000, 0.0008284700000000 ] - [ 0.0003903900000000, 0.0005928000000000, 0.0007065600000000 ] - [ 0.0007384100000000, -0.0000358200000000, -0.0019254300000000 ] - [ 0.0007784100000000, 0.0000000000000000, -0.0016488700000000 ] - [ 0.0007384100000000, 0.0000358200000000, -0.0019254300000000 ] - [ 0.0002582700000000, 0.0007328000000000, 0.0153037900000000 ] - [ 0.0006124500000000, 0.0000000000000000, 0.0039028300000000 ] - [ 0.0002582700000000, -0.0007328000000000, 0.0153037900000000 ] - [ 0.0023279700000000, -0.0107145100000000, -0.0064776200000000 ] - [ 0.0008030600000000, 0.0000000000000000, 0.0001812600000000 ] - [ 0.0023279700000000, 0.0107145100000000, -0.0064776200000000 ] - [ 0.0009217900000000, 0.0001671100000000, -0.0025203100000000 ] - [ 0.0008126000000000, 0.0000000000000000, -0.0019391700000000 ] - [ 0.0009217900000000, -0.0001671100000000, -0.0025203100000000 ] - [ 0.0001503500000000, 0.0000000000000000, 0.0010958900000000 ] - [ 0.0003926600000000, -0.0000237400000000, 0.0005810300000000 ] - [ 0.0003926600000000, 0.0000237400000000, 0.0005810300000000 ] - [ 0.0008063800000000, 0.0000000000000000, -0.0006556600000000 ] - [ 0.0007865700000000, -0.0000391000000000, -0.0005052300000000 ] - [ 0.0007865700000000, 0.0000391000000000, -0.0005052300000000 ] - [ 0.0009151500000000, 0.0000000000000000, -0.0009775300000000 ] - [ 0.0009099700000000, 0.0000220300000000, -0.0008569800000000 ] - [ 0.0009099700000000, -0.0000220300000000, -0.0008569800000000 ] - [ 0.0878135900000000, 0.0000000000000000, 0.2623496900000000 ] - [ 0.0014638600000000, -0.0006661900000000, 0.0018761900000000 ] - [ 0.0014638600000000, 0.0006661900000000, 0.0018761900000000 ] - [ -0.0001286500000000, 0.0000000000000000, -0.0012172300000000 ] - [ 0.0002623700000000, 0.0000461100000000, -0.0006442700000000 ] - [ 0.0002623700000000, -0.0000461100000000, -0.0006442700000000 ] - [ -0.0007765000000000, 0.0000000000000000, -0.0022722700000000 ] - [ 0.0000566900000000, -0.0000536200000000, -0.0008904800000000 ] - [ 0.0000566900000000, 0.0000536200000000, -0.0008904800000000 ] - [ -0.0012487900000000, -0.0010817600000000, -0.0025577300000000 ] - [ -0.0008916300000000, 0.0000000000000000, -0.0004515700000000 ] - [ -0.0012487900000000, 0.0010817600000000, -0.0025577300000000 ] - [ 0.0006194000000000, -0.0007928600000000, 0.0003742600000000 ] - [ -0.0003785200000000, 0.0000000000000000, 0.0004355200000000 ] - [ 0.0006194000000000, 0.0007928600000000, 0.0003742600000000 ] - [ -0.0010456500000000, -0.0000308700000000, -0.0011501600000000 ] - [ -0.0009928000000000, 0.0000000000000000, -0.0010012400000000 ] - [ -0.0010456500000000, 0.0000308700000000, -0.0011501600000000 ] - [ -0.0008346900000000, 0.0000992100000000, 0.0014119900000000 ] - [ -0.0008563800000000, 0.0000000000000000, 0.0010387700000000 ] - [ -0.0008346900000000, -0.0000992100000000, 0.0014119900000000 ] - [ -0.0013407500000000, -0.0004818600000000, 0.0001568000000000 ] - [ -0.0008925900000000, 0.0000000000000000, 0.0004058700000000 ] - [ -0.0013407500000000, 0.0004818600000000, 0.0001568000000000 ] - [ -0.0002176000000000, 0.0000024300000000, -0.0007315900000000 ] - [ -0.0002977600000000, 0.0000000000000000, -0.0005766500000000 ] - [ -0.0002176000000000, -0.0000024300000000, -0.0007315900000000 ] - [ -0.1108259900000000, 0.0000000000000000, -0.3558382000000000 ] - [ 0.0001218800000000, -0.0000216800000000, -0.0035443600000000 ] - [ 0.0001218800000000, 0.0000216800000000, -0.0035443600000000 ] - [ -0.0010548100000000, 0.0000000000000000, 0.0030155100000000 ] - [ -0.0004150400000000, 0.0012176200000000, 0.0016574700000000 ] - [ -0.0004150400000000, -0.0012176200000000, 0.0016574700000000 ] - [ 0.0009124600000000, 0.0000000000000000, 0.0029939200000000 ] - [ 0.0004024300000000, -0.0000673800000000, 0.0016334000000000 ] - [ 0.0004024300000000, 0.0000673800000000, 0.0016334000000000 ] - [ -0.0024798700000000, 0.0010722100000000, -0.0066263700000000 ] - [ -0.0005817300000000, 0.0000000000000000, -0.0028058900000000 ] - [ -0.0024798700000000, -0.0010722100000000, -0.0066263700000000 ] - [ 0.0022870600000000, 0.0013970300000000, 0.0018775700000000 ] - [ 0.0007205000000000, 0.0000000000000000, -0.0003538700000000 ] - [ 0.0022870600000000, -0.0013970300000000, 0.0018775700000000 ] - [ 0.0001911900000000, -0.0004722200000000, 0.0010394300000000 ] - [ 0.0001499900000000, 0.0000000000000000, 0.0007866900000000 ] - [ 0.0001911900000000, 0.0004722200000000, 0.0010394300000000 ] - [ -0.0014521600000000, 0.0004865700000000, -0.0024729700000000 ] - [ 0.0007746900000000, 0.0000000000000000, -0.0009353100000000 ] - [ -0.0014521600000000, -0.0004865700000000, -0.0024729700000000 ] - [ -0.0002047300000000, 0.0003197500000000, 0.0022007500000000 ] - [ -0.0001081300000000, 0.0000000000000000, 0.0019322700000000 ] - [ -0.0002047300000000, -0.0003197500000000, 0.0022007500000000 ] - [ 0.0011461200000000, -0.0001425200000000, 0.0026648000000000 ] - [ 0.0003499100000000, 0.0000000000000000, 0.0011846100000000 ] - [ 0.0011461200000000, 0.0001425200000000, 0.0026648000000000 ] - [ 0.0016538100000000, 0.0000000000000000, -0.0015778700000000 ] - [ 0.0002616100000000, 0.0002947200000000, -0.0012063200000000 ] - [ 0.0002616100000000, -0.0002947200000000, -0.0012063200000000 ] - [ 0.0002869300000000, 0.0000000000000000, 0.0008360200000000 ] - [ 0.0001640500000000, 0.0001079000000000, 0.0005862100000000 ] - [ 0.0001640500000000, -0.0001079000000000, 0.0005862100000000 ] - [ -0.0009144400000000, 0.0000000000000000, 0.0003979400000000 ] - [ -0.0004543100000000, -0.0001290200000000, 0.0004266900000000 ] - [ -0.0004543100000000, 0.0001290200000000, 0.0004266900000000 ] - [ -0.0006446600000000, -0.0003369100000000, -0.0008376400000000 ] - [ -0.0005086200000000, 0.0000000000000000, -0.0005437200000000 ] - [ -0.0006446600000000, 0.0003369100000000, -0.0008376400000000 ] - [ 0.0018125000000000, 0.0014720300000000, -0.0008651600000000 ] - [ 0.0003007400000000, 0.0000000000000000, -0.0005638200000000 ] - [ 0.0018125000000000, -0.0014720300000000, -0.0008651600000000 ] - [ -0.0000471400000000, 0.0001301700000000, 0.0015354700000000 ] - [ -0.0000237700000000, 0.0000000000000000, 0.0013231100000000 ] - [ -0.0000471400000000, -0.0001301700000000, 0.0015354700000000 ] - [ -0.0076053700000000, 0.0000000000000000, 0.0111724400000000 ] - [ -0.0019169800000000, -0.0064198500000000, 0.0034040300000000 ] - [ -0.0019169800000000, 0.0064198500000000, 0.0034040300000000 ] - [ 0.0288265800000000, 0.0000000000000000, 0.0398637300000000 ] - [ 0.0003536400000000, 0.0024098900000000, -0.0027631200000000 ] - [ 0.0003536400000000, -0.0024098900000000, -0.0027631200000000 ] - [ -0.0005063900000000, 0.0000000000000000, 0.0016963500000000 ] - [ -0.0005657700000000, 0.0000168700000000, 0.0010259400000000 ] - [ -0.0005657700000000, -0.0000168700000000, 0.0010259400000000 ] - [ -0.0002055300000000, 0.0000000000000000, -0.0003311200000000 ] - [ 0.0002236700000000, -0.0003624600000000, -0.0002203600000000 ] - [ 0.0002236700000000, 0.0003624600000000, -0.0002203600000000 ] - [ -0.0007779700000000, 0.0000000000000000, 0.0007078900000000 ] - [ -0.0005482400000000, 0.0004781700000000, 0.0006509600000000 ] - [ -0.0005482400000000, -0.0004781700000000, 0.0006509600000000 ] - [ 0.0002274600000000, 0.0000000000000000, 0.0022059300000000 ] - [ 0.0001088500000000, -0.0000291500000000, 0.0019372700000000 ] - [ 0.0001088500000000, 0.0000291500000000, 0.0019372700000000 ] - [ 0.0068727200000000, -0.0058933200000000, 0.0039985500000000 ] - [ 0.0005443200000000, 0.0000000000000000, -0.0006833500000000 ] - [ 0.0068727200000000, 0.0058933200000000, 0.0039985500000000 ] - [ -0.0023971000000000, 0.0013088400000000, 0.0006354600000000 ] - [ -0.0005149000000000, 0.0000000000000000, -0.0005934600000000 ] - [ -0.0023971000000000, -0.0013088400000000, 0.0006354600000000 ] - [ 0.0002254900000000, -0.0001012500000000, 0.0012582800000000 ] - [ 0.0001846600000000, 0.0000000000000000, 0.0010232900000000 ] - [ 0.0002254900000000, 0.0001012500000000, 0.0012582800000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0039279100000000, 0.0000000000000000, -0.0138835200000000 ] - [ 0.0001528000000000, -0.0007025000000000, -0.0041240700000000 ] - [ 0.0001528000000000, 0.0007025000000000, -0.0041240700000000 ] - [ -0.0029637100000000, 0.0000000000000000, 0.0017451200000000 ] - [ -0.0018299200000000, 0.0009999400000000, 0.0006710600000000 ] - [ -0.0018299200000000, -0.0009999400000000, 0.0006710600000000 ] - [ 0.0000096300000000, 0.0000000000000000, 0.0019080900000000 ] - [ -0.0003042900000000, -0.0005469800000000, 0.0013249500000000 ] - [ -0.0003042900000000, 0.0005469800000000, 0.0013249500000000 ] - [ 0.0089471000000000, 0.0000000000000000, -0.0100862100000000 ] - [ -0.0001806600000000, 0.0010040100000000, -0.0026469300000000 ] - [ -0.0001806600000000, -0.0010040100000000, -0.0026469300000000 ] - [ 0.0001532900000000, 0.0000000000000000, 0.0037200700000000 ] - [ -0.0004342300000000, 0.0009884900000000, 0.0022485500000000 ] - [ -0.0004342300000000, -0.0009884900000000, 0.0022485500000000 ] - [ -0.0045759400000000, 0.0000000000000000, 0.0028324600000000 ] - [ -0.0027055100000000, -0.0002326800000000, 0.0017378400000000 ] - [ -0.0027055100000000, 0.0002326800000000, 0.0017378400000000 ] - [ 0.0015538100000000, -0.0001470800000000, -0.0006216200000000 ] - [ 0.0007020800000000, 0.0000000000000000, -0.0004529400000000 ] - [ 0.0015538100000000, 0.0001470800000000, -0.0006216200000000 ] - [ 0.0011919500000000, 0.0005948700000000, -0.0012844300000000 ] - [ 0.0011896000000000, 0.0000000000000000, -0.0014090600000000 ] - [ 0.0011919500000000, -0.0005948700000000, -0.0012844300000000 ] - [ 0.0008344800000000, 0.0000338600000000, 0.0013522800000000 ] - [ 0.0007955800000000, 0.0000000000000000, 0.0010753700000000 ] - [ 0.0008344800000000, -0.0000338600000000, 0.0013522800000000 ] - [ 0.0015242500000000, -0.0003280500000000, -0.0149409100000000 ] - [ 0.0009549900000000, 0.0000000000000000, -0.0033321000000000 ] - [ 0.0015242500000000, 0.0003280500000000, -0.0149409100000000 ] - [ -0.0008009800000000, 0.0107783400000000, 0.0070718000000000 ] - [ 0.0007656800000000, 0.0000000000000000, 0.0004032700000000 ] - [ -0.0008009800000000, -0.0107783400000000, 0.0070718000000000 ] - [ 0.0006498600000000, -0.0001713400000000, 0.0031107500000000 ] - [ 0.0007590200000000, 0.0000000000000000, 0.0025230500000000 ] - [ 0.0006498600000000, 0.0001713400000000, 0.0031107500000000 ] - [ 0.0012932300000000, 0.0000000000000000, -0.0016955100000000 ] - [ 0.0010573600000000, 0.0000273200000000, -0.0011878500000000 ] - [ 0.0010573600000000, -0.0000273200000000, -0.0011878500000000 ] - [ 0.0006407400000000, 0.0000000000000000, 0.0000470000000000 ] - [ 0.0006603500000000, 0.0000435800000000, -0.0001011300000000 ] - [ 0.0006603500000000, -0.0000435800000000, -0.0001011300000000 ] - [ 0.0005333300000000, 0.0000000000000000, 0.0003580000000000 ] - [ 0.0005380700000000, -0.0000189300000000, 0.0002381100000000 ] - [ 0.0005380700000000, 0.0000189300000000, 0.0002381100000000 ] - [ -0.0767701200000000, 0.0000000000000000, -0.2423103900000000 ] - [ -0.0000190600000000, 0.0006671700000000, -0.0012758700000000 ] - [ -0.0000190600000000, -0.0006671700000000, -0.0012758700000000 ] - [ 0.0015811700000000, 0.0000000000000000, 0.0018449400000000 ] - [ 0.0011877100000000, -0.0000430100000000, 0.0012681300000000 ] - [ 0.0011877100000000, 0.0000430100000000, 0.0012681300000000 ] - [ 0.0022372200000000, 0.0000000000000000, 0.0029003600000000 ] - [ 0.0013922900000000, 0.0000582400000000, 0.0015008000000000 ] - [ 0.0013922900000000, -0.0000582400000000, 0.0015008000000000 ] - [ -0.0001991800000000, 0.0010812100000000, 0.0019503300000000 ] - [ -0.0005537300000000, 0.0000000000000000, -0.0001560300000000 ] - [ -0.0001991800000000, -0.0010812100000000, 0.0019503300000000 ] - [ -0.0020552300000000, 0.0007786600000000, -0.0009981700000000 ] - [ -0.0010700000000000, 0.0000000000000000, -0.0010579700000000 ] - [ -0.0020552300000000, -0.0007786600000000, -0.0009981700000000 ] - [ -0.0004027400000000, 0.0000277100000000, 0.0005479300000000 ] - [ -0.0004554900000000, 0.0000000000000000, 0.0003992600000000 ] - [ -0.0004027400000000, -0.0000277100000000, 0.0005479300000000 ] - [ -0.0006126600000000, -0.0001034400000000, -0.0007997800000000 ] - [ -0.0005909400000000, 0.0000000000000000, -0.0004196600000000 ] - [ -0.0006126600000000, 0.0001034400000000, -0.0007997800000000 ] - [ -0.0001028000000000, 0.0004802100000000, 0.0004515000000000 ] - [ -0.0005537100000000, 0.0000000000000000, 0.0002035600000000 ] - [ -0.0001028000000000, -0.0004802100000000, 0.0004515000000000 ] - [ -0.0012337900000000, -0.0000058300000000, 0.0013415600000000 ] - [ -0.0011521500000000, 0.0000000000000000, 0.0011829400000000 ] - [ -0.0012337900000000, 0.0000058300000000, 0.0013415600000000 ] - [ 0.1004115900000000, 0.0000000000000000, 0.3369757900000000 ] - [ -0.0001514400000000, 0.0000268700000000, 0.0036562700000000 ] - [ -0.0001514400000000, -0.0000268700000000, 0.0036562700000000 ] - [ 0.0010466700000000, 0.0000000000000000, -0.0029736600000000 ] - [ 0.0003959200000000, -0.0012264800000000, -0.0016085600000000 ] - [ 0.0003959200000000, 0.0012264800000000, -0.0016085600000000 ] - [ -0.0009368000000000, 0.0000000000000000, -0.0029940000000000 ] - [ -0.0004296000000000, 0.0000698200000000, -0.0016327500000000 ] - [ -0.0004296000000000, -0.0000698200000000, -0.0016327500000000 ] - [ 0.0030013900000000, -0.0010904600000000, 0.0051499700000000 ] - [ 0.0010929800000000, 0.0000000000000000, 0.0013138400000000 ] - [ 0.0030013900000000, 0.0010904600000000, 0.0051499700000000 ] - [ -0.0017719700000000, -0.0014021000000000, -0.0034737900000000 ] - [ -0.0002134800000000, 0.0000000000000000, -0.0012290300000000 ] - [ -0.0017719700000000, 0.0014021000000000, -0.0034737900000000 ] - [ 0.0003343800000000, 0.0004707900000000, -0.0025834600000000 ] - [ 0.0003571700000000, 0.0000000000000000, -0.0023284700000000 ] - [ 0.0003343800000000, -0.0004707900000000, -0.0025834600000000 ] - [ 0.0019547700000000, -0.0004881200000000, 0.0039568100000000 ] - [ -0.0002705000000000, 0.0000000000000000, 0.0024400300000000 ] - [ 0.0019547700000000, 0.0004881200000000, 0.0039568100000000 ] - [ 0.0007294200000000, -0.0003276400000000, -0.0006658300000000 ] - [ 0.0006150800000000, 0.0000000000000000, -0.0003949900000000 ] - [ 0.0007294200000000, 0.0003276400000000, -0.0006658300000000 ] - [ -0.0006263900000000, 0.0001446200000000, -0.0010805600000000 ] - [ 0.0001571200000000, 0.0000000000000000, 0.0003960000000000 ] - [ -0.0006263900000000, -0.0001446200000000, -0.0010805600000000 ] - [ -0.0016791500000000, 0.0000000000000000, 0.0014823500000000 ] - [ -0.0002928400000000, -0.0002959700000000, 0.0011044400000000 ] - [ -0.0002928400000000, 0.0002959700000000, 0.0011044400000000 ] - [ -0.0003047200000000, 0.0000000000000000, -0.0008558000000000 ] - [ -0.0001910000000000, -0.0001067200000000, -0.0005924200000000 ] - [ -0.0001910000000000, 0.0001067200000000, -0.0005924200000000 ] - [ 0.0009073100000000, 0.0000000000000000, -0.0004477400000000 ] - [ 0.0004335000000000, 0.0001251800000000, -0.0004815700000000 ] - [ 0.0004335000000000, -0.0001251800000000, -0.0004815700000000 ] - [ 0.0006759300000000, 0.0003425900000000, 0.0009010100000000 ] - [ 0.0005291000000000, 0.0000000000000000, 0.0006016700000000 ] - [ 0.0006759300000000, -0.0003425900000000, 0.0009010100000000 ] - [ -0.0017976000000000, -0.0014810000000000, 0.0008747500000000 ] - [ -0.0002872200000000, 0.0000000000000000, 0.0005822200000000 ] - [ -0.0017976000000000, 0.0014810000000000, 0.0008747500000000 ] - [ 0.0000751800000000, -0.0001309300000000, -0.0014369200000000 ] - [ 0.0000429000000000, 0.0000000000000000, -0.0012336000000000 ] - [ 0.0000751800000000, 0.0001309300000000, -0.0014369200000000 ] - [ 0.0072356200000000, 0.0000000000000000, -0.0129601200000000 ] - [ 0.0013948500000000, 0.0064395000000000, -0.0050188300000000 ] - [ 0.0013948500000000, -0.0064395000000000, -0.0050188300000000 ] - [ -0.0291918500000000, 0.0000000000000000, -0.0413192500000000 ] - [ -0.0008747000000000, -0.0024090100000000, 0.0012364500000000 ] - [ -0.0008747000000000, 0.0024090100000000, 0.0012364500000000 ] - [ 0.0000001700000000, 0.0000000000000000, -0.0032058700000000 ] - [ 0.0000471300000000, -0.0000198000000000, -0.0025314400000000 ] - [ 0.0000471300000000, 0.0000198000000000, -0.0025314400000000 ] - [ -0.0002473000000000, 0.0000000000000000, 0.0019422200000000 ] - [ -0.0007525400000000, 0.0003693200000000, 0.0017572500000000 ] - [ -0.0007525400000000, -0.0003693200000000, 0.0017572500000000 ] - [ 0.0002657300000000, 0.0000000000000000, 0.0008728400000000 ] - [ 0.0000231800000000, -0.0004814300000000, 0.0009323100000000 ] - [ 0.0000231800000000, 0.0004814300000000, 0.0009323100000000 ] - [ -0.0007365600000000, 0.0000000000000000, -0.0007092800000000 ] - [ -0.0006299500000000, 0.0000257300000000, -0.0004403700000000 ] - [ -0.0006299500000000, -0.0000257300000000, -0.0004403700000000 ] - [ -0.0069223900000000, 0.0059646900000000, -0.0040089200000000 ] - [ -0.0005311100000000, 0.0000000000000000, 0.0006666400000000 ] - [ -0.0069223900000000, -0.0059646900000000, -0.0040089200000000 ] - [ 0.0024204400000000, -0.0012973600000000, -0.0006755700000000 ] - [ 0.0005360500000000, 0.0000000000000000, 0.0005408200000000 ] - [ 0.0024204400000000, 0.0012973600000000, -0.0006755700000000 ] - [ -0.0001990900000000, 0.0001016900000000, -0.0013664900000000 ] - [ -0.0001646000000000, 0.0000000000000000, -0.0011159300000000 ] - [ -0.0001990900000000, -0.0001016900000000, -0.0013664900000000 ]- atom: 82 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0074353900000000, -0.0021859200000000, 0.0009946600000000 ] - [ -0.0074353900000000, 0.0021859200000000, 0.0009946600000000 ] - [ -0.0023699100000000, 0.0000000000000000, 0.0002971700000000 ] - [ -0.0016029400000000, -0.0000650500000000, -0.0004548000000000 ] - [ -0.0016029400000000, 0.0000650500000000, -0.0004548000000000 ] - [ -0.0014530200000000, 0.0000000000000000, -0.0004894500000000 ] - [ -0.0018536700000000, -0.0003154300000000, -0.0010539900000000 ] - [ -0.0018536700000000, 0.0003154300000000, -0.0010539900000000 ] - [ -0.0012246700000000, 0.0000000000000000, -0.0006868700000000 ] - [ 0.0135293300000000, -0.0028180400000000, 0.0051563300000000 ] - [ 0.0135293300000000, 0.0028180400000000, 0.0051563300000000 ] - [ 0.0006439200000000, 0.0000000000000000, 0.0010189200000000 ] - [ -0.0004279900000000, 0.0003181500000000, -0.0004089300000000 ] - [ -0.0004279900000000, -0.0003181500000000, -0.0004089300000000 ] - [ -0.0004750000000000, 0.0000000000000000, -0.0002448100000000 ] - [ 0.0049119300000000, 0.0038044500000000, 0.0011905600000000 ] - [ 0.0049119300000000, -0.0038044500000000, 0.0011905600000000 ] - [ 0.0004336200000000, 0.0000000000000000, 0.0000958300000000 ] - [ -0.0069136000000000, 0.0000000000000000, 0.0015918000000000 ] - [ -0.0001415900000000, -0.0007888900000000, 0.0001547300000000 ] - [ -0.0001415900000000, 0.0007888900000000, 0.0001547300000000 ] - [ -0.0046584300000000, 0.0000000000000000, -0.0028455100000000 ] - [ -0.0014579700000000, -0.0017127700000000, -0.0008955400000000 ] - [ -0.0014579700000000, 0.0017127700000000, -0.0008955400000000 ] - [ 0.0005111800000000, 0.0000000000000000, -0.0007008000000000 ] - [ 0.0006144400000000, -0.0000888900000000, -0.0006784700000000 ] - [ 0.0006144400000000, 0.0000888900000000, -0.0006784700000000 ] - [ 0.0354696900000000, 0.0000000000000000, 0.0176544600000000 ] - [ 0.0027693600000000, 0.0053855400000000, 0.0005620000000000 ] - [ 0.0027693600000000, -0.0053855400000000, 0.0005620000000000 ] - [ 0.0017734700000000, 0.0000000000000000, 0.0025540300000000 ] - [ 0.0013642300000000, 0.0004311900000000, 0.0008334000000000 ] - [ 0.0013642300000000, -0.0004311900000000, 0.0008334000000000 ] - [ 0.0015491300000000, 0.0000000000000000, -0.0008304400000000 ] - [ 0.0011835200000000, 0.0003372000000000, -0.0005157400000000 ] - [ 0.0011835200000000, -0.0003372000000000, -0.0005157400000000 ] - [ -0.0013116800000000, 0.0009218400000000, 0.0014528300000000 ] - [ -0.0013116800000000, -0.0009218400000000, 0.0014528300000000 ] - [ 0.0004242500000000, 0.0000000000000000, 0.0001521400000000 ] - [ 0.0007901400000000, 0.0000237300000000, -0.0006409100000000 ] - [ 0.0007901400000000, -0.0000237300000000, -0.0006409100000000 ] - [ 0.0007788600000000, 0.0000000000000000, -0.0005619000000000 ] - [ 0.0005535200000000, -0.0001427700000000, 0.0000089900000000 ] - [ 0.0005535200000000, 0.0001427700000000, 0.0000089900000000 ] - [ 0.0006947500000000, 0.0000000000000000, -0.0003278400000000 ] - [ 0.0011424700000000, -0.0012256800000000, 0.0043229300000000 ] - [ 0.0011424700000000, 0.0012256800000000, 0.0043229300000000 ] - [ 0.0011783800000000, 0.0000000000000000, 0.0008947700000000 ] - [ 0.0007374500000000, 0.0000151100000000, 0.0002209400000000 ] - [ 0.0007374500000000, -0.0000151100000000, 0.0002209400000000 ] - [ 0.0007360300000000, 0.0000000000000000, 0.0002358100000000 ] - [ -0.0002507300000000, -0.0000918100000000, -0.0017547900000000 ] - [ -0.0002507300000000, 0.0000918100000000, -0.0017547900000000 ] - [ 0.0005777500000000, 0.0000000000000000, -0.0000301700000000 ] - [ -0.0020075700000000, 0.0000000000000000, -0.0029751100000000 ] - [ -0.0011006800000000, 0.0000030100000000, -0.0008265600000000 ] - [ -0.0011006800000000, -0.0000030100000000, -0.0008265600000000 ] - [ -0.0009314400000000, 0.0000000000000000, 0.0000098700000000 ] - [ -0.0008403700000000, 0.0000685100000000, -0.0000956700000000 ] - [ -0.0008403700000000, -0.0000685100000000, -0.0000956700000000 ] - [ -0.0008662400000000, 0.0000000000000000, -0.0005832400000000 ] - [ -0.0008459800000000, -0.0000192100000000, -0.0005369500000000 ] - [ -0.0008459800000000, 0.0000192100000000, -0.0005369500000000 ] - [ 0.0010325100000000, 0.0000000000000000, 0.0211021800000000 ] - [ -0.0005797200000000, -0.0002818500000000, 0.0007391300000000 ] - [ -0.0005797200000000, 0.0002818500000000, 0.0007391300000000 ] - [ 0.0014919100000000, 0.0000000000000000, -0.0015088900000000 ] - [ -0.0001818900000000, 0.0000126100000000, -0.0004343200000000 ] - [ -0.0001818900000000, -0.0000126100000000, -0.0004343200000000 ] - [ -0.0006439200000000, 0.0000000000000000, 0.0001690800000000 ] - [ -0.0006024300000000, -0.0000010100000000, 0.0000865900000000 ] - [ -0.0006024300000000, 0.0000010100000000, 0.0000865900000000 ] - [ 0.0070333600000000, 0.0072576600000000, -0.0026759200000000 ] - [ 0.0070333600000000, -0.0072576600000000, -0.0026759200000000 ] - [ -0.0001737300000000, 0.0000000000000000, -0.0007750700000000 ] - [ 0.0000793800000000, -0.0000027700000000, -0.0000491500000000 ] - [ 0.0000793800000000, 0.0000027700000000, -0.0000491500000000 ] - [ 0.0001122800000000, 0.0000000000000000, -0.0000811900000000 ] - [ 0.0006378600000000, 0.0000936900000000, 0.0020296700000000 ] - [ 0.0006378600000000, -0.0000936900000000, 0.0020296700000000 ] - [ 0.0000664800000000, 0.0000000000000000, 0.0004607800000000 ] - [ -0.0815246400000000, 0.0000000000000000, -0.0397387700000000 ] - [ -0.0030050200000000, 0.0015821700000000, -0.0033831500000000 ] - [ -0.0030050200000000, -0.0015821700000000, -0.0033831500000000 ] - [ -0.0011040600000000, 0.0000000000000000, 0.0005413600000000 ] - [ -0.0003439400000000, 0.0000179000000000, -0.0003595500000000 ] - [ -0.0003439400000000, -0.0000179000000000, -0.0003595500000000 ] - [ -0.0011016700000000, 0.0000000000000000, -0.0013723200000000 ] - [ -0.0003458800000000, 0.0003905100000000, -0.0007539800000000 ] - [ -0.0003458800000000, -0.0003905100000000, -0.0007539800000000 ] - [ 0.0032027900000000, 0.0000000000000000, -0.0011716400000000 ] - [ 0.0021354300000000, -0.0004629100000000, -0.0004509800000000 ] - [ 0.0021354300000000, 0.0004629100000000, -0.0004509800000000 ] - [ 0.0004937200000000, 0.0000000000000000, 0.0010199400000000 ] - [ 0.0004337100000000, 0.0000157100000000, 0.0010149000000000 ] - [ 0.0004337100000000, -0.0000157100000000, 0.0010149000000000 ] - [ 0.0024945400000000, 0.0000000000000000, 0.0018466500000000 ] - [ 0.0009302900000000, -0.0000572300000000, 0.0010237000000000 ] - [ 0.0009302900000000, 0.0000572300000000, 0.0010237000000000 ] - [ 0.0048674200000000, -0.0038309900000000, 0.0016765900000000 ] - [ 0.0048674200000000, 0.0038309900000000, 0.0016765900000000 ] - [ 0.0003587600000000, 0.0000000000000000, -0.0005749700000000 ] - [ -0.0000135100000000, -0.0000573200000000, 0.0004574900000000 ] - [ -0.0000135100000000, 0.0000573200000000, 0.0004574900000000 ] - [ -0.0000404200000000, 0.0000000000000000, 0.0003634900000000 ] - [ 0.0003563600000000, -0.0008151900000000, -0.0009119300000000 ] - [ 0.0003563600000000, 0.0008151900000000, -0.0009119300000000 ] - [ -0.0000681900000000, 0.0000000000000000, -0.0001221800000000 ] - [ 0.0054419400000000, 0.0000000000000000, -0.0290851500000000 ] - [ -0.0006794200000000, 0.0005060600000000, -0.0005804500000000 ] - [ -0.0006794200000000, -0.0005060600000000, -0.0005804500000000 ] - [ -0.0009688300000000, 0.0000000000000000, 0.0074132400000000 ] - [ 0.0009850200000000, 0.0022293500000000, 0.0016403200000000 ] - [ 0.0009850200000000, -0.0022293500000000, 0.0016403200000000 ] - [ -0.0000398200000000, 0.0000000000000000, 0.0003064100000000 ] - [ -0.0000928800000000, 0.0000423800000000, 0.0003464000000000 ] - [ -0.0000928800000000, -0.0000423800000000, 0.0003464000000000 ] - [ -0.0043566000000000, 0.0075830000000000, 0.0057453600000000 ] - [ -0.0043566000000000, -0.0075830000000000, 0.0057453600000000 ] - [ -0.0012012900000000, 0.0000000000000000, 0.0000966600000000 ] - [ -0.0043634000000000, 0.0022313100000000, -0.0029674500000000 ] - [ -0.0043634000000000, -0.0022313100000000, -0.0029674500000000 ] - [ -0.0011997000000000, 0.0000000000000000, -0.0009514700000000 ] - [ -0.0006253000000000, -0.0000017600000000, -0.0002360000000000 ] - [ -0.0006253000000000, 0.0000017600000000, -0.0002360000000000 ] - [ -0.0005494800000000, 0.0000000000000000, -0.0003617300000000 ] - [ 0.0030650400000000, -0.0004133700000000, 0.0004143000000000 ] - [ 0.0030650400000000, 0.0004133700000000, 0.0004143000000000 ] - [ 0.0004907500000000, 0.0000000000000000, 0.0006280300000000 ] - [ 0.0007205500000000, -0.0004018500000000, 0.0017694600000000 ] - [ 0.0007205500000000, 0.0004018500000000, 0.0017694600000000 ] - [ 0.0004884600000000, 0.0000000000000000, 0.0015078500000000 ] - [ 0.0002586800000000, 0.0000232100000000, 0.0008957900000000 ] - [ 0.0002586800000000, -0.0000232100000000, 0.0008957900000000 ] - [ -0.0000129400000000, 0.0000000000000000, 0.0010149900000000 ] - [ 0.0120871800000000, 0.0000000000000000, 0.0000360000000000 ] - [ 0.0010935100000000, -0.0007703600000000, 0.0004800200000000 ] - [ 0.0010935100000000, 0.0007703600000000, 0.0004800200000000 ] - [ 0.0003726500000000, 0.0000000000000000, -0.0005439200000000 ] - [ 0.0002999500000000, -0.0000570800000000, -0.0003101100000000 ] - [ 0.0002999500000000, 0.0000570800000000, -0.0003101100000000 ] - [ 0.0001878200000000, 0.0000000000000000, 0.0004225600000000 ] - [ 0.0001838700000000, -0.0000833500000000, 0.0003229800000000 ] - [ 0.0001838700000000, 0.0000833500000000, 0.0003229800000000 ]- atom: 82 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0058958200000000, 0.0022096300000000, -0.0015899000000000 ] - [ 0.0058958200000000, -0.0022096300000000, -0.0015899000000000 ] - [ 0.0008048400000000, 0.0000000000000000, -0.0008829800000000 ] - [ 0.0000297400000000, 0.0000646600000000, -0.0001288300000000 ] - [ 0.0000297400000000, -0.0000646600000000, -0.0001288300000000 ] - [ -0.0001182700000000, 0.0000000000000000, -0.0000923700000000 ] - [ 0.0002879300000000, 0.0003199400000000, 0.0004880300000000 ] - [ 0.0002879300000000, -0.0003199400000000, 0.0004880300000000 ] - [ -0.0003462800000000, 0.0000000000000000, 0.0001148100000000 ] - [ -0.0151801500000000, 0.0027420500000000, -0.0045621000000000 ] - [ -0.0151801500000000, -0.0027420500000000, -0.0045621000000000 ] - [ -0.0022199500000000, 0.0000000000000000, -0.0004501900000000 ] - [ -0.0011424400000000, -0.0003183200000000, 0.0010016900000000 ] - [ -0.0011424400000000, 0.0003183200000000, 0.0010016900000000 ] - [ -0.0010975300000000, 0.0000000000000000, 0.0008378600000000 ] - [ -0.0065102600000000, -0.0038068600000000, -0.0006051100000000 ] - [ -0.0065102600000000, 0.0038068600000000, -0.0006051100000000 ] - [ -0.0020102500000000, 0.0000000000000000, 0.0004852300000000 ] - [ 0.0085063400000000, 0.0000000000000000, -0.0021694500000000 ] - [ 0.0017207400000000, 0.0007814100000000, -0.0007410100000000 ] - [ 0.0017207400000000, -0.0007814100000000, -0.0007410100000000 ] - [ 0.0062532500000000, 0.0000000000000000, 0.0022372200000000 ] - [ 0.0030583200000000, 0.0017050000000000, 0.0003044500000000 ] - [ 0.0030583200000000, -0.0017050000000000, 0.0003044500000000 ] - [ 0.0010616800000000, 0.0000000000000000, 0.0001306200000000 ] - [ 0.0009604200000000, 0.0000858700000000, 0.0001096400000000 ] - [ 0.0009604200000000, -0.0000858700000000, 0.0001096400000000 ] - [ -0.0357740300000000, 0.0000000000000000, -0.0186170400000000 ] - [ -0.0012337700000000, -0.0054235200000000, -0.0000069800000000 ] - [ -0.0012337700000000, 0.0054235200000000, -0.0000069800000000 ] - [ -0.0002224300000000, 0.0000000000000000, -0.0019589900000000 ] - [ 0.0001937900000000, -0.0004265300000000, -0.0002401000000000 ] - [ 0.0001937900000000, 0.0004265300000000, -0.0002401000000000 ] - [ 0.0000193900000000, 0.0000000000000000, 0.0014250100000000 ] - [ 0.0003878100000000, -0.0003432400000000, 0.0011036300000000 ] - [ 0.0003878100000000, 0.0003432400000000, 0.0011036300000000 ] - [ 0.0027572300000000, -0.0009216000000000, -0.0020651200000000 ] - [ 0.0027572300000000, 0.0009216000000000, -0.0020651200000000 ] - [ 0.0010291200000000, 0.0000000000000000, -0.0007654000000000 ] - [ 0.0006573700000000, -0.0000324600000000, 0.0000330700000000 ] - [ 0.0006573700000000, 0.0000324600000000, 0.0000330700000000 ] - [ 0.0006689700000000, 0.0000000000000000, -0.0000411700000000 ] - [ 0.0008937300000000, 0.0001368400000000, -0.0006281900000000 ] - [ 0.0008937300000000, -0.0001368400000000, -0.0006281900000000 ] - [ 0.0007532600000000, 0.0000000000000000, -0.0002902600000000 ] - [ 0.0002857100000000, 0.0012229700000000, -0.0037568600000000 ] - [ 0.0002857100000000, -0.0012229700000000, -0.0037568600000000 ] - [ 0.0002638700000000, 0.0000000000000000, -0.0002971200000000 ] - [ 0.0007124800000000, -0.0000216100000000, 0.0004042400000000 ] - [ 0.0007124800000000, 0.0000216100000000, 0.0004042400000000 ] - [ 0.0007142400000000, 0.0000000000000000, 0.0003877500000000 ] - [ 0.0017028000000000, 0.0000861100000000, 0.0023766300000000 ] - [ 0.0017028000000000, -0.0000861100000000, 0.0023766300000000 ] - [ 0.0008693200000000, 0.0000000000000000, 0.0006354400000000 ] - [ 0.0005775800000000, 0.0000000000000000, 0.0023888700000000 ] - [ -0.0003438700000000, -0.0000124300000000, 0.0002200100000000 ] - [ -0.0003438700000000, 0.0000124300000000, 0.0002200100000000 ] - [ -0.0005194200000000, 0.0000000000000000, -0.0006379700000000 ] - [ -0.0006093100000000, -0.0000754500000000, -0.0005311500000000 ] - [ -0.0006093100000000, 0.0000754500000000, -0.0005311500000000 ] - [ -0.0005810300000000, 0.0000000000000000, -0.0000186500000000 ] - [ -0.0006012600000000, 0.0000125900000000, -0.0000636200000000 ] - [ -0.0006012600000000, -0.0000125900000000, -0.0000636200000000 ] - [ -0.0023123000000000, 0.0000000000000000, -0.0204794400000000 ] - [ -0.0008601200000000, 0.0002759400000000, -0.0001335100000000 ] - [ -0.0008601200000000, -0.0002759400000000, -0.0001335100000000 ] - [ -0.0029464700000000, 0.0000000000000000, 0.0021281400000000 ] - [ -0.0012761900000000, -0.0000274200000000, 0.0010558300000000 ] - [ -0.0012761900000000, 0.0000274200000000, 0.0010558300000000 ] - [ -0.0008078400000000, 0.0000000000000000, 0.0004424900000000 ] - [ -0.0008483200000000, -0.0000057500000000, 0.0005216600000000 ] - [ -0.0008483200000000, 0.0000057500000000, 0.0005216600000000 ] - [ -0.0071001200000000, -0.0073447700000000, 0.0028080100000000 ] - [ -0.0071001200000000, 0.0073447700000000, 0.0028080100000000 ] - [ 0.0001468000000000, 0.0000000000000000, 0.0009029500000000 ] - [ -0.0000952500000000, 0.0000081200000000, 0.0000974800000000 ] - [ -0.0000952500000000, -0.0000081200000000, 0.0000974800000000 ] - [ -0.0001379800000000, 0.0000000000000000, 0.0001284200000000 ] - [ -0.0006554900000000, -0.0000996700000000, -0.0020250300000000 ] - [ -0.0006554900000000, 0.0000996700000000, -0.0020250300000000 ] - [ -0.0001013900000000, 0.0000000000000000, -0.0004718700000000 ] - [ 0.0840840400000000, 0.0000000000000000, 0.0400232500000000 ] - [ 0.0035354000000000, -0.0016184900000000, 0.0019193400000000 ] - [ 0.0035354000000000, 0.0016184900000000, 0.0019193400000000 ] - [ 0.0016428800000000, 0.0000000000000000, -0.0021403000000000 ] - [ 0.0008558300000000, -0.0000126100000000, -0.0012361500000000 ] - [ 0.0008558300000000, 0.0000126100000000, -0.0012361500000000 ] - [ 0.0016452900000000, 0.0000000000000000, -0.0001714000000000 ] - [ 0.0008538200000000, -0.0004020700000000, -0.0007905000000000 ] - [ 0.0008538200000000, 0.0004020700000000, -0.0007905000000000 ] - [ -0.0026851800000000, 0.0000000000000000, 0.0026922800000000 ] - [ -0.0016385500000000, 0.0004795500000000, 0.0019654100000000 ] - [ -0.0016385500000000, -0.0004795500000000, 0.0019654100000000 ] - [ 0.0000489300000000, 0.0000000000000000, 0.0005084000000000 ] - [ 0.0000732600000000, -0.0000313500000000, 0.0005181200000000 ] - [ 0.0000732600000000, 0.0000313500000000, 0.0005181200000000 ] - [ -0.0019680400000000, 0.0000000000000000, -0.0002758700000000 ] - [ -0.0004244100000000, 0.0000645100000000, 0.0005543900000000 ] - [ -0.0004244100000000, -0.0000645100000000, 0.0005543900000000 ] - [ -0.0048898700000000, 0.0037944600000000, -0.0017337800000000 ] - [ -0.0048898700000000, -0.0037944600000000, -0.0017337800000000 ] - [ -0.0004082400000000, 0.0000000000000000, 0.0004658000000000 ] - [ -0.0000043700000000, 0.0000537600000000, -0.0004790100000000 ] - [ -0.0000043700000000, -0.0000537600000000, -0.0004790100000000 ] - [ 0.0000025600000000, 0.0000000000000000, -0.0003606200000000 ] - [ -0.0003730800000000, 0.0008188800000000, 0.0008568000000000 ] - [ -0.0003730800000000, -0.0008188800000000, 0.0008568000000000 ] - [ 0.0000385700000000, 0.0000000000000000, 0.0000664100000000 ] - [ -0.0054547700000000, 0.0000000000000000, 0.0289373400000000 ] - [ 0.0006967300000000, -0.0004991600000000, 0.0006495900000000 ] - [ 0.0006967300000000, 0.0004991600000000, 0.0006495900000000 ] - [ 0.0009553500000000, 0.0000000000000000, -0.0074233600000000 ] - [ -0.0009897800000000, -0.0022809700000000, -0.0016683200000000 ] - [ -0.0009897800000000, 0.0022809700000000, -0.0016683200000000 ] - [ 0.0000760600000000, 0.0000000000000000, -0.0001975700000000 ] - [ 0.0001130400000000, -0.0000426100000000, -0.0002619100000000 ] - [ 0.0001130400000000, 0.0000426100000000, -0.0002619100000000 ] - [ 0.0039087800000000, -0.0076661800000000, -0.0073594100000000 ] - [ 0.0039087800000000, 0.0076661800000000, -0.0073594100000000 ] - [ 0.0006686700000000, 0.0000000000000000, -0.0016821900000000 ] - [ 0.0039017500000000, -0.0022376900000000, 0.0014209500000000 ] - [ 0.0039017500000000, 0.0022376900000000, 0.0014209500000000 ] - [ 0.0006702400000000, 0.0000000000000000, -0.0005805500000000 ] - [ 0.0001208200000000, 0.0000077400000000, -0.0012729500000000 ] - [ 0.0001208200000000, -0.0000077400000000, -0.0012729500000000 ] - [ 0.0000199600000000, 0.0000000000000000, -0.0011461000000000 ] - [ -0.0035838900000000, 0.0003902400000000, 0.0011234800000000 ] - [ -0.0035838900000000, -0.0003902400000000, 0.0011234800000000 ] - [ -0.0010379300000000, 0.0000000000000000, 0.0009110700000000 ] - [ -0.0012336400000000, 0.0004050700000000, -0.0001882600000000 ] - [ -0.0012336400000000, -0.0004050700000000, -0.0001882600000000 ] - [ -0.0010322900000000, 0.0000000000000000, 0.0000780500000000 ] - [ -0.0007690800000000, -0.0000169400000000, 0.0005965300000000 ] - [ -0.0007690800000000, 0.0000169400000000, 0.0005965300000000 ] - [ -0.0005213400000000, 0.0000000000000000, 0.0004785600000000 ] - [ -0.0121687700000000, 0.0000000000000000, -0.0000105400000000 ] - [ -0.0010796800000000, 0.0007752900000000, -0.0004987200000000 ] - [ -0.0010796800000000, -0.0007752900000000, -0.0004987200000000 ] - [ -0.0003377500000000, 0.0000000000000000, 0.0004970200000000 ] - [ -0.0002757000000000, 0.0000624900000000, 0.0002597900000000 ] - [ -0.0002757000000000, -0.0000624900000000, 0.0002597900000000 ] - [ -0.0001532700000000, 0.0000000000000000, -0.0005473900000000 ] - [ -0.0001639800000000, 0.0000840900000000, -0.0004193700000000 ] - [ -0.0001639800000000, -0.0000840900000000, -0.0004193700000000 ]- atom: 82 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0023227400000000, 0.0012168600000000, -0.0009775800000000 ] - [ 0.0007283400000000, 0.0012430400000000, 0.0004318400000000 ] - [ -0.0007875200000000, -0.0024140100000000, -0.0002820500000000 ] - [ -0.0009014000000000, 0.0004345900000000, 0.0001748000000000 ] - [ -0.0006718600000000, 0.0004382700000000, -0.0007702400000000 ] - [ -0.0007874800000000, -0.0008697600000000, -0.0002977900000000 ] - [ -0.0010789200000000, 0.0003309400000000, -0.0005539400000000 ] - [ -0.0004968600000000, 0.0003428800000000, -0.0000388000000000 ] - [ -0.0007884100000000, -0.0006795600000000, -0.0002928700000000 ] - [ -0.0073662600000000, 0.0321527900000000, -0.0148129300000000 ] - [ 0.0063453800000000, 0.0337926000000000, 0.0168689800000000 ] - [ -0.0007832800000000, -0.0123751900000000, 0.0002926900000000 ] - [ -0.0006500700000000, 0.0008538300000000, 0.0010111300000000 ] - [ -0.0009240100000000, 0.0008622600000000, -0.0004534700000000 ] - [ -0.0007871800000000, -0.0017336800000000, 0.0002773400000000 ] - [ 0.0003644000000000, 0.0009646100000000, -0.0024318900000000 ] - [ -0.0019454600000000, 0.0010376600000000, 0.0029782300000000 ] - [ -0.0007855600000000, -0.0021370500000000, 0.0002992500000000 ] - [ 0.0008225000000000, 0.0021667000000000, -0.0002951200000000 ] - [ -0.0000018900000000, -0.0010919600000000, 0.0005815800000000 ] - [ 0.0015749100000000, -0.0011084000000000, -0.0011571500000000 ] - [ 0.0007830300000000, 0.0049827800000000, -0.0002865300000000 ] - [ -0.0025265600000000, -0.0024456700000000, -0.0013065300000000 ] - [ 0.0040572300000000, -0.0024490300000000, 0.0007322800000000 ] - [ 0.0007867700000000, 0.0004857100000000, -0.0002976500000000 ] - [ 0.0007132200000000, -0.0002410900000000, -0.0003978000000000 ] - [ 0.0008609600000000, -0.0002438400000000, -0.0001937900000000 ] - [ 0.0007875400000000, 0.0163023600000000, 0.0003137600000000 ] - [ 0.0045178000000000, -0.0052032500000000, 0.0038322900000000 ] - [ -0.0028984500000000, -0.0052336200000000, -0.0032005900000000 ] - [ 0.0007883500000000, 0.0072371800000000, 0.0002908300000000 ] - [ 0.0022816900000000, -0.0035505600000000, -0.0020184200000000 ] - [ -0.0006887200000000, -0.0035450900000000, 0.0025866700000000 ] - [ 0.0007836800000000, 0.0009666500000000, 0.0002775100000000 ] - [ 0.0008060900000000, -0.0004841800000000, 0.0005022300000000 ] - [ 0.0007676900000000, -0.0004884500000000, 0.0000584500000000 ] - [ 0.0019545400000000, -0.0002992900000000, -0.0020742600000000 ] - [ -0.0005104300000000, -0.0002891000000000, 0.0014930800000000 ] - [ 0.0007208900000000, -0.0002194200000000, -0.0002957400000000 ] - [ 0.0006933800000000, 0.0000682100000000, -0.0000676200000000 ] - [ 0.0007545500000000, 0.0000776600000000, -0.0005456100000000 ] - [ 0.0007235300000000, -0.0001627100000000, -0.0003052300000000 ] - [ 0.0007847400000000, -0.0000450100000000, -0.0004353900000000 ] - [ 0.0006671900000000, -0.0000401600000000, -0.0001954200000000 ] - [ 0.0007251100000000, 0.0000303300000000, -0.0003108800000000 ] - [ -0.0009599300000000, -0.0004175100000000, 0.0011130500000000 ] - [ 0.0024246300000000, -0.0004008100000000, -0.0004821700000000 ] - [ 0.0007288400000000, -0.0004533000000000, 0.0003065900000000 ] - [ 0.0008452500000000, 0.0000048900000000, 0.0004772600000000 ] - [ 0.0005996600000000, 0.0000116800000000, 0.0001358700000000 ] - [ 0.0007232900000000, -0.0000054900000000, 0.0003064100000000 ] - [ -0.0000358700000000, 0.0000769600000000, -0.0011548600000000 ] - [ 0.0014764700000000, 0.0000866200000000, 0.0017501400000000 ] - [ 0.0007241400000000, -0.0000752700000000, 0.0003038500000000 ] - [ -0.0007255600000000, 0.0000477100000000, -0.0003096500000000 ] - [ -0.0005849400000000, -0.0000165100000000, 0.0000723500000000 ] - [ -0.0008617700000000, -0.0000089000000000, -0.0006794900000000 ] - [ -0.0007232900000000, 0.0002668200000000, -0.0003064100000000 ] - [ -0.0007038700000000, -0.0001363800000000, -0.0005082800000000 ] - [ -0.0007431600000000, -0.0001301400000000, -0.0001088000000000 ] - [ -0.0007258800000000, 0.0000014900000000, -0.0003057700000000 ] - [ -0.0007227700000000, -0.0000042400000000, -0.0003058800000000 ] - [ -0.0007283400000000, 0.0000025000000000, -0.0003030500000000 ] - [ -0.0006558000000000, 0.0124406500000000, 0.0001750200000000 ] - [ -0.0020143300000000, -0.0007711600000000, 0.0025803900000000 ] - [ 0.0005503600000000, -0.0007632300000000, -0.0019281400000000 ] - [ -0.0007308300000000, 0.0002567600000000, 0.0003009900000000 ] - [ 0.0005937200000000, 0.0004529400000000, -0.0016261500000000 ] - [ -0.0020312900000000, 0.0004607300000000, 0.0022160400000000 ] - [ -0.0007214400000000, -0.0000001500000000, 0.0002962800000000 ] - [ -0.0007582100000000, -0.0000051900000000, 0.0003814000000000 ] - [ -0.0006868200000000, 0.0000014200000000, 0.0002140800000000 ] - [ 0.0074390300000000, 0.0011695500000000, 0.0011115300000000 ] - [ -0.0074877100000000, 0.0011246300000000, -0.0010514500000000 ] - [ -0.0000244600000000, 0.0021818900000000, 0.0000507200000000 ] - [ 0.0000908100000000, -0.0005323000000000, -0.0004385800000000 ] - [ -0.0001124600000000, -0.0005377800000000, 0.0005045000000000 ] - [ -0.0000155500000000, 0.0011209000000000, 0.0000311900000000 ] - [ 0.0005694400000000, -0.0001535300000000, 0.0014152000000000 ] - [ -0.0005800900000000, -0.0001533700000000, -0.0013838000000000 ] - [ -0.0000174500000000, 0.0002766400000000, -0.0000038500000000 ] - [ -0.0003085200000000, -0.1082998700000000, -0.0022741300000000 ] - [ -0.0013615800000000, 0.0121326300000000, -0.0038487200000000 ] - [ 0.0018390600000000, 0.0120400300000000, 0.0022916300000000 ] - [ 0.0002732100000000, -0.0009676700000000, -0.0007893300000000 ] - [ -0.0001445000000000, 0.0004365000000000, 0.0012726400000000 ] - [ 0.0006481400000000, 0.0004345000000000, -0.0028294800000000 ] - [ 0.0002769300000000, -0.0009675600000000, -0.0007508900000000 ] - [ 0.0002393500000000, 0.0004183600000000, -0.0009959400000000 ] - [ 0.0002700100000000, 0.0004526200000000, -0.0005272000000000 ] - [ 0.0002726900000000, -0.0021284200000000, 0.0007403200000000 ] - [ 0.0007318900000000, 0.0010932900000000, 0.0004316700000000 ] - [ -0.0002107500000000, 0.0010933900000000, 0.0010505500000000 ] - [ 0.0002708700000000, -0.0004190500000000, 0.0007718100000000 ] - [ 0.0002295800000000, 0.0002012400000000, 0.0008174000000000 ] - [ 0.0002765400000000, 0.0002186500000000, 0.0007290700000000 ] - [ 0.0002663500000000, -0.0004709500000000, 0.0008049300000000 ] - [ 0.0003153200000000, 0.0002283300000000, 0.0002328800000000 ] - [ 0.0001936000000000, 0.0002290600000000, 0.0013471900000000 ] - [ -0.0069370200000000, -0.0000277300000000, -0.0005478100000000 ] - [ 0.0069616700000000, -0.0000540800000000, 0.0004265500000000 ] - [ -0.0000075100000000, 0.0020365600000000, -0.0000652600000000 ] - [ -0.0000865200000000, -0.0001577000000000, -0.0003278300000000 ] - [ 0.0000721700000000, -0.0001562700000000, 0.0003194600000000 ] - [ -0.0000162500000000, 0.0003268600000000, 0.0000088800000000 ] - [ -0.0002587500000000, -0.0003430800000000, 0.0001229700000000 ] - [ 0.0002238200000000, -0.0003649300000000, -0.0001640800000000 ] - [ -0.0000145800000000, 0.0005948300000000, -0.0000264200000000 ] - [ -0.0000605800000000, -0.0079256500000000, 0.0001827800000000 ] - [ 0.0009882400000000, 0.0009441300000000, -0.0023967200000000 ] - [ -0.0009628600000000, 0.0009511800000000, 0.0024223800000000 ] - [ 0.0000149100000000, -0.0088507900000000, -0.0000335500000000 ] - [ 0.0037486400000000, 0.0097928400000000, 0.0064685000000000 ] - [ -0.0036848200000000, 0.0097015300000000, -0.0063916000000000 ] - [ 0.0000168200000000, -0.0002784400000000, 0.0000664700000000 ] - [ 0.0000656500000000, 0.0001380300000000, 0.0000324200000000 ] - [ -0.0000454700000000, 0.0001401400000000, 0.0000692700000000 ] - [ 0.0019750600000000, -0.0006903700000000, 0.0030605200000000 ] - [ -0.0024939800000000, -0.0007727700000000, -0.0046309300000000 ] - [ -0.0002704700000000, 0.0028476600000000, -0.0007987100000000 ] - [ 0.0073328000000000, -0.0007239100000000, -0.0083985000000000 ] - [ -0.0079166100000000, -0.0007392800000000, 0.0068794800000000 ] - [ -0.0002824100000000, 0.0028477200000000, -0.0007633600000000 ] - [ -0.0002602400000000, -0.0002016000000000, -0.0009725600000000 ] - [ -0.0002506100000000, -0.0002122500000000, -0.0005113700000000 ] - [ -0.0002682600000000, 0.0004198100000000, -0.0007419400000000 ] - [ -0.0006551500000000, -0.0004391400000000, 0.0026231400000000 ] - [ 0.0001487400000000, -0.0004423600000000, -0.0011072300000000 ] - [ -0.0002701600000000, 0.0010386800000000, 0.0007579200000000 ] - [ -0.0006545100000000, -0.0009374200000000, 0.0002689300000000 ] - [ 0.0001523300000000, -0.0009469800000000, 0.0013184200000000 ] - [ -0.0002634300000000, 0.0020308100000000, 0.0007966300000000 ] - [ -0.0002332900000000, -0.0000967300000000, 0.0009194900000000 ] - [ -0.0002731900000000, -0.0001061400000000, 0.0005941700000000 ] - [ -0.0002650800000000, 0.0002085200000000, 0.0007526400000000 ] - [ 0.0000656600000000, -0.0007280800000000, -0.0000011400000000 ] - [ -0.0010018200000000, 0.0006941000000000, -0.0003768400000000 ] - [ 0.0010155800000000, 0.0007054700000000, 0.0003549700000000 ] - [ 0.0000118600000000, -0.0008627800000000, -0.0000283600000000 ] - [ -0.0004892200000000, 0.0004311500000000, 0.0004523500000000 ] - [ 0.0005040200000000, 0.0004264600000000, -0.0005072200000000 ] - [ 0.0000198600000000, -0.0002538500000000, -0.0000531600000000 ] - [ -0.0000666600000000, 0.0001252100000000, -0.0000687300000000 ] - [ 0.0000891300000000, 0.0001282200000000, -0.0000136000000000 ]- atom: 82 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0018358100000000, -0.0018002000000000, 0.0039358300000000 ] - [ -0.0018358100000000, 0.0018002000000000, 0.0039358300000000 ] - [ -0.0010093400000000, 0.0000000000000000, 0.0018559000000000 ] - [ -0.0005278700000000, 0.0001043300000000, -0.0017834300000000 ] - [ -0.0005278700000000, -0.0001043300000000, -0.0017834300000000 ] - [ -0.0005652400000000, 0.0000000000000000, -0.0014798700000000 ] - [ -0.0011900300000000, -0.0011162900000000, -0.0020994600000000 ] - [ -0.0011900300000000, 0.0011162900000000, -0.0020994600000000 ] - [ -0.0010099300000000, 0.0000000000000000, -0.0013110000000000 ] - [ 0.0056952000000000, -0.0130784200000000, 0.0271463300000000 ] - [ 0.0056952000000000, 0.0130784200000000, 0.0271463300000000 ] - [ -0.0001286500000000, 0.0000000000000000, 0.0030855500000000 ] - [ -0.0009300200000000, 0.0004979500000000, -0.0033259700000000 ] - [ -0.0009300200000000, -0.0004979500000000, -0.0033259700000000 ] - [ -0.0008495200000000, 0.0000000000000000, -0.0025223900000000 ] - [ -0.0014678200000000, -0.0079517600000000, -0.0066081300000000 ] - [ -0.0014678200000000, 0.0079517600000000, -0.0066081300000000 ] - [ -0.0006927000000000, 0.0000000000000000, 0.0005153500000000 ] - [ 0.0097739100000000, 0.0000000000000000, -0.0001610800000000 ] - [ 0.0017094300000000, 0.0017511000000000, 0.0008259900000000 ] - [ 0.0017094300000000, -0.0017511000000000, 0.0008259900000000 ] - [ -0.0056587700000000, 0.0000000000000000, 0.0006336100000000 ] - [ -0.0023949300000000, -0.0009390000000000, 0.0005114500000000 ] - [ -0.0023949300000000, 0.0009390000000000, 0.0005114500000000 ] - [ 0.0006630100000000, 0.0000000000000000, -0.0028484800000000 ] - [ 0.0006687600000000, 0.0002667600000000, -0.0023770400000000 ] - [ 0.0006687600000000, -0.0002667600000000, -0.0023770400000000 ] - [ 0.0150076500000000, 0.0000000000000000, 0.0265466900000000 ] - [ 0.0014550700000000, 0.0041719800000000, 0.0051990300000000 ] - [ 0.0014550700000000, -0.0041719800000000, 0.0051990300000000 ] - [ 0.0044587700000000, 0.0000000000000000, -0.0048631500000000 ] - [ 0.0023407700000000, -0.0022806200000000, -0.0017842000000000 ] - [ 0.0023407700000000, 0.0022806200000000, -0.0017842000000000 ] - [ 0.0000923800000000, 0.0000000000000000, -0.0033292500000000 ] - [ 0.0004478100000000, 0.0006306700000000, -0.0022676400000000 ] - [ 0.0004478100000000, -0.0006306700000000, -0.0022676400000000 ] - [ -0.0000744600000000, -0.0000883100000000, 0.0027727800000000 ] - [ -0.0000744600000000, 0.0000883100000000, 0.0027727800000000 ] - [ 0.0000984400000000, 0.0000000000000000, 0.0010717800000000 ] - [ 0.0008082800000000, 0.0000782100000000, -0.0010557900000000 ] - [ 0.0008082800000000, -0.0000782100000000, -0.0010557900000000 ] - [ 0.0008153400000000, 0.0000000000000000, -0.0009044600000000 ] - [ 0.0012431400000000, 0.0002003800000000, -0.0017644400000000 ] - [ 0.0012431400000000, -0.0002003800000000, -0.0017644400000000 ] - [ 0.0009812600000000, 0.0000000000000000, -0.0008842000000000 ] - [ 0.0032660000000000, 0.0009378700000000, 0.0035704200000000 ] - [ 0.0032660000000000, -0.0009378700000000, 0.0035704200000000 ] - [ 0.0014920200000000, 0.0000000000000000, 0.0015024700000000 ] - [ 0.0001854100000000, 0.0000039300000000, -0.0008742300000000 ] - [ 0.0001854100000000, -0.0000039300000000, -0.0008742300000000 ] - [ 0.0002752700000000, 0.0000000000000000, -0.0006965300000000 ] - [ -0.0005039500000000, -0.0000476200000000, -0.0020734700000000 ] - [ -0.0005039500000000, 0.0000476200000000, -0.0020734700000000 ] - [ 0.0006320100000000, 0.0000000000000000, 0.0003034200000000 ] - [ -0.0008295400000000, 0.0000000000000000, -0.0016022100000000 ] - [ -0.0007049800000000, 0.0001541600000000, -0.0000793800000000 ] - [ -0.0007049800000000, -0.0001541600000000, -0.0000793800000000 ] - [ -0.0003515200000000, 0.0000000000000000, 0.0004469400000000 ] - [ -0.0004782000000000, -0.0000477700000000, 0.0002880800000000 ] - [ -0.0004782000000000, 0.0000477700000000, 0.0002880800000000 ] - [ -0.0011207100000000, 0.0000000000000000, -0.0013185200000000 ] - [ -0.0010524000000000, -0.0000154600000000, -0.0011533100000000 ] - [ -0.0010524000000000, 0.0000154600000000, -0.0011533100000000 ] - [ 0.0157899400000000, 0.0000000000000000, -0.0149277300000000 ] - [ -0.0017665500000000, 0.0005510000000000, 0.0027011500000000 ] - [ -0.0017665500000000, -0.0005510000000000, 0.0027011500000000 ] - [ 0.0025245000000000, 0.0000000000000000, -0.0029931500000000 ] - [ 0.0003542800000000, 0.0003222400000000, -0.0011844800000000 ] - [ 0.0003542800000000, -0.0003222400000000, -0.0011844800000000 ] - [ 0.0001813600000000, 0.0000000000000000, -0.0015307200000000 ] - [ -0.0001384300000000, 0.0000151500000000, -0.0008982500000000 ] - [ -0.0001384300000000, -0.0000151500000000, -0.0008982500000000 ] - [ -0.0009587700000000, 0.0015420800000000, -0.0058388200000000 ] - [ -0.0009587700000000, -0.0015420800000000, -0.0058388200000000 ] - [ -0.0004715600000000, 0.0000000000000000, -0.0019988600000000 ] - [ -0.0004355500000000, -0.0003206900000000, 0.0018392400000000 ] - [ -0.0004355500000000, 0.0003206900000000, 0.0018392400000000 ] - [ -0.0004346200000000, 0.0000000000000000, 0.0015851500000000 ] - [ 0.0009814300000000, 0.0003082600000000, 0.0026867900000000 ] - [ 0.0009814300000000, -0.0003082600000000, 0.0026867900000000 ] - [ 0.0001811900000000, 0.0000000000000000, 0.0004363000000000 ] - [ -0.0396643300000000, 0.0000000000000000, -0.1149976300000000 ] - [ -0.0024018300000000, 0.0030621500000000, -0.0079355500000000 ] - [ -0.0024018300000000, -0.0030621500000000, -0.0079355500000000 ] - [ -0.0003366700000000, 0.0000000000000000, 0.0034113400000000 ] - [ 0.0002711800000000, 0.0002376400000000, 0.0015679200000000 ] - [ 0.0002711800000000, -0.0002376400000000, 0.0015679200000000 ] - [ 0.0016068200000000, 0.0000000000000000, 0.0034285100000000 ] - [ 0.0006900600000000, -0.0020550400000000, 0.0015902800000000 ] - [ 0.0006900600000000, 0.0020550400000000, 0.0015902800000000 ] - [ 0.0022002800000000, 0.0000000000000000, -0.0022470400000000 ] - [ 0.0014618000000000, -0.0003065800000000, -0.0012466700000000 ] - [ 0.0014618000000000, 0.0003065800000000, -0.0012466700000000 ] - [ 0.0000157900000000, 0.0000000000000000, 0.0024165100000000 ] - [ 0.0000051800000000, 0.0000365300000000, 0.0021821100000000 ] - [ 0.0000051800000000, -0.0000365300000000, 0.0021821100000000 ] - [ -0.0007878100000000, 0.0000000000000000, 0.0033974100000000 ] - [ 0.0000196800000000, -0.0005536000000000, 0.0008788500000000 ] - [ 0.0000196800000000, 0.0005536000000000, 0.0008788500000000 ] - [ 0.0046763500000000, -0.0008517100000000, -0.0032701300000000 ] - [ 0.0046763500000000, 0.0008517100000000, -0.0032701300000000 ] - [ 0.0011104500000000, 0.0000000000000000, -0.0017470600000000 ] - [ 0.0002547500000000, -0.0000461400000000, 0.0014229300000000 ] - [ 0.0002547500000000, 0.0000461400000000, 0.0014229300000000 ] - [ 0.0001771500000000, 0.0000000000000000, 0.0011653800000000 ] - [ -0.0021672000000000, 0.0018587400000000, 0.0018398800000000 ] - [ -0.0021672000000000, -0.0018587400000000, 0.0018398800000000 ] - [ -0.0003756000000000, 0.0000000000000000, 0.0003664000000000 ] - [ -0.0245204400000000, 0.0000000000000000, 0.0402564500000000 ] - [ 0.0000319200000000, -0.0017839100000000, -0.0019655500000000 ] - [ 0.0000319200000000, 0.0017839100000000, -0.0019655500000000 ] - [ 0.0061675800000000, 0.0000000000000000, 0.0121422700000000 ] - [ 0.0022814900000000, 0.0049125300000000, 0.0042254800000000 ] - [ 0.0022814900000000, -0.0049125300000000, 0.0042254800000000 ] - [ -0.0002789900000000, 0.0000000000000000, 0.0025092500000000 ] - [ -0.0001294400000000, 0.0000107600000000, 0.0018264400000000 ] - [ -0.0001294400000000, -0.0000107600000000, 0.0018264400000000 ] - [ 0.0019320200000000, 0.0076321000000000, 0.0030797400000000 ] - [ 0.0019320200000000, -0.0076321000000000, 0.0030797400000000 ] - [ -0.0000843400000000, 0.0000000000000000, -0.0016597400000000 ] - [ -0.0068135900000000, -0.0038649700000000, 0.0030995600000000 ] - [ -0.0068135900000000, 0.0038649700000000, 0.0030995600000000 ] - [ -0.0011586700000000, 0.0000000000000000, -0.0016414800000000 ] - [ -0.0007723100000000, 0.0002332900000000, 0.0016691100000000 ] - [ -0.0007723100000000, -0.0002332900000000, 0.0016691100000000 ] - [ -0.0006579900000000, 0.0000000000000000, 0.0012653600000000 ] - [ -0.0006058600000000, 0.0018527700000000, -0.0024181900000000 ] - [ -0.0006058600000000, -0.0018527700000000, -0.0024181900000000 ] - [ -0.0004115100000000, 0.0000000000000000, -0.0011151600000000 ] - [ 0.0007261600000000, -0.0005238900000000, 0.0017261800000000 ] - [ 0.0007261600000000, 0.0005238900000000, 0.0017261800000000 ] - [ 0.0004455700000000, 0.0000000000000000, 0.0015115600000000 ] - [ -0.0001027800000000, 0.0001654600000000, 0.0028597700000000 ] - [ -0.0001027800000000, -0.0001654600000000, 0.0028597700000000 ] - [ 0.0000028000000000, 0.0000000000000000, 0.0019445600000000 ] - [ 0.0098642100000000, 0.0000000000000000, -0.0011379500000000 ] - [ 0.0001532700000000, -0.0005920300000000, -0.0009944000000000 ] - [ 0.0001532700000000, 0.0005920300000000, -0.0009944000000000 ] - [ -0.0011574000000000, 0.0000000000000000, -0.0001129600000000 ] - [ -0.0007322300000000, 0.0002050500000000, -0.0001701300000000 ] - [ -0.0007322300000000, -0.0002050500000000, -0.0001701300000000 ] - [ 0.0004900000000000, 0.0000000000000000, 0.0013953700000000 ] - [ 0.0002796600000000, -0.0002657100000000, 0.0011418900000000 ] - [ 0.0002796600000000, 0.0002657100000000, 0.0011418900000000 ]- atom: 82 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002447300000000, 0.0018048000000000, -0.0045251300000000 ] - [ 0.0002447300000000, -0.0018048000000000, -0.0045251300000000 ] - [ -0.0005659800000000, 0.0000000000000000, -0.0024380400000000 ] - [ -0.0010454700000000, -0.0001051800000000, 0.0012025900000000 ] - [ -0.0010454700000000, 0.0001051800000000, 0.0012025900000000 ] - [ -0.0010045900000000, 0.0000000000000000, 0.0009004800000000 ] - [ -0.0003839900000000, 0.0011201200000000, 0.0015235800000000 ] - [ -0.0003839900000000, -0.0011201200000000, 0.0015235800000000 ] - [ -0.0005635100000000, 0.0000000000000000, 0.0007318000000000 ] - [ -0.0069864900000000, 0.0120917100000000, -0.0260848200000000 ] - [ -0.0069864900000000, -0.0120917100000000, -0.0260848200000000 ] - [ -0.0014405100000000, 0.0000000000000000, -0.0024953200000000 ] - [ -0.0006400500000000, -0.0004939100000000, 0.0039052500000000 ] - [ -0.0006400500000000, 0.0004939100000000, 0.0039052500000000 ] - [ -0.0007232700000000, 0.0000000000000000, 0.0031045300000000 ] - [ -0.0000815800000000, 0.0079917200000000, 0.0072045300000000 ] - [ -0.0000815800000000, -0.0079917200000000, 0.0072045300000000 ] - [ -0.0008775000000000, 0.0000000000000000, 0.0000600800000000 ] - [ -0.0082471700000000, 0.0000000000000000, -0.0004403000000000 ] - [ -0.0001377300000000, -0.0017593300000000, -0.0014210000000000 ] - [ -0.0001377300000000, 0.0017593300000000, -0.0014210000000000 ] - [ 0.0072165600000000, 0.0000000000000000, -0.0011864600000000 ] - [ 0.0039678300000000, 0.0009389300000000, -0.0010822000000000 ] - [ 0.0039678300000000, -0.0009389300000000, -0.0010822000000000 ] - [ 0.0009054100000000, 0.0000000000000000, 0.0022730600000000 ] - [ 0.0009028600000000, -0.0002711700000000, 0.0018032500000000 ] - [ 0.0009028600000000, 0.0002711700000000, 0.0018032500000000 ] - [ -0.0144317400000000, 0.0000000000000000, -0.0263968000000000 ] - [ 0.0001115400000000, -0.0041621400000000, -0.0046467800000000 ] - [ 0.0001115400000000, 0.0041621400000000, -0.0046467800000000 ] - [ -0.0028711100000000, 0.0000000000000000, 0.0054472400000000 ] - [ -0.0007668800000000, 0.0022780800000000, 0.0023761200000000 ] - [ -0.0007668800000000, -0.0022780800000000, 0.0023761200000000 ] - [ 0.0014834800000000, 0.0000000000000000, 0.0039111400000000 ] - [ 0.0011279000000000, -0.0006346000000000, 0.0028460100000000 ] - [ 0.0011279000000000, 0.0006346000000000, 0.0028460100000000 ] - [ 0.0015344800000000, 0.0000762000000000, -0.0033841500000000 ] - [ 0.0015344800000000, -0.0000762000000000, -0.0033841500000000 ] - [ 0.0013511300000000, 0.0000000000000000, -0.0016780400000000 ] - [ 0.0006353300000000, -0.0000860100000000, 0.0004503700000000 ] - [ 0.0006353300000000, 0.0000860100000000, 0.0004503700000000 ] - [ 0.0006294900000000, 0.0000000000000000, 0.0003036300000000 ] - [ 0.0002024200000000, -0.0002081600000000, 0.0011500400000000 ] - [ 0.0002024200000000, 0.0002081600000000, 0.0011500400000000 ] - [ 0.0004661400000000, 0.0000000000000000, 0.0002670700000000 ] - [ -0.0018200900000000, -0.0009543100000000, -0.0029427900000000 ] - [ -0.0018200900000000, 0.0009543100000000, -0.0029427900000000 ] - [ -0.0000435500000000, 0.0000000000000000, -0.0008959700000000 ] - [ 0.0012627900000000, -0.0000102700000000, 0.0014953800000000 ] - [ 0.0012627900000000, 0.0000102700000000, 0.0014953800000000 ] - [ 0.0011732000000000, 0.0000000000000000, 0.0013161400000000 ] - [ 0.0019486100000000, 0.0000383700000000, 0.0026805600000000 ] - [ 0.0019486100000000, -0.0000383700000000, 0.0026805600000000 ] - [ 0.0008127400000000, 0.0000000000000000, 0.0002970700000000 ] - [ -0.0006234000000000, 0.0000000000000000, 0.0009987400000000 ] - [ -0.0007422400000000, -0.0001636700000000, -0.0005315700000000 ] - [ -0.0007422400000000, 0.0001636700000000, -0.0005315700000000 ] - [ -0.0010967700000000, 0.0000000000000000, -0.0010620700000000 ] - [ -0.0009687600000000, 0.0000413700000000, -0.0009050900000000 ] - [ -0.0009687600000000, -0.0000413700000000, -0.0009050900000000 ] - [ -0.0003262400000000, 0.0000000000000000, 0.0007177900000000 ] - [ -0.0003948500000000, 0.0000087100000000, 0.0005530300000000 ] - [ -0.0003948500000000, -0.0000087100000000, 0.0005530300000000 ] - [ -0.0172555000000000, 0.0000000000000000, 0.0154565000000000 ] - [ 0.0003232500000000, -0.0005547300000000, -0.0020897200000000 ] - [ 0.0003232500000000, 0.0005547300000000, -0.0020897200000000 ] - [ -0.0039487900000000, 0.0000000000000000, 0.0035946000000000 ] - [ -0.0018008100000000, -0.0003313600000000, 0.0017968500000000 ] - [ -0.0018008100000000, 0.0003313600000000, 0.0017968500000000 ] - [ -0.0016309500000000, 0.0000000000000000, 0.0021387600000000 ] - [ -0.0013094800000000, -0.0000219300000000, 0.0015008200000000 ] - [ -0.0013094800000000, 0.0000219300000000, 0.0015008200000000 ] - [ 0.0009959100000000, -0.0015132400000000, 0.0059377200000000 ] - [ 0.0009959100000000, 0.0015132400000000, 0.0059377200000000 ] - [ 0.0004393000000000, 0.0000000000000000, 0.0021216200000000 ] - [ 0.0004178700000000, 0.0003253700000000, -0.0017827800000000 ] - [ 0.0004178700000000, -0.0003253700000000, -0.0017827800000000 ] - [ 0.0004059300000000, 0.0000000000000000, -0.0015294000000000 ] - [ -0.0009942700000000, -0.0003124600000000, -0.0026636600000000 ] - [ -0.0009942700000000, 0.0003124600000000, -0.0026636600000000 ] - [ -0.0002147600000000, 0.0000000000000000, -0.0004382500000000 ] - [ 0.0400824400000000, 0.0000000000000000, 0.1136121200000000 ] - [ 0.0029017500000000, -0.0030778000000000, 0.0064220100000000 ] - [ 0.0029017500000000, 0.0030778000000000, 0.0064220100000000 ] - [ 0.0008655500000000, 0.0000000000000000, -0.0049921100000000 ] - [ 0.0002357700000000, -0.0002316200000000, -0.0031539000000000 ] - [ 0.0002357700000000, 0.0002316200000000, -0.0031539000000000 ] - [ -0.0010737800000000, 0.0000000000000000, -0.0049742300000000 ] - [ -0.0001854900000000, 0.0020470900000000, -0.0031315800000000 ] - [ -0.0001854900000000, -0.0020470900000000, -0.0031315800000000 ] - [ -0.0016625600000000, 0.0000000000000000, 0.0037432400000000 ] - [ -0.0009535800000000, 0.0003124500000000, 0.0027468700000000 ] - [ -0.0009535800000000, -0.0003124500000000, 0.0027468700000000 ] - [ 0.0005282300000000, 0.0000000000000000, -0.0008853900000000 ] - [ 0.0005026800000000, -0.0000518100000000, -0.0006462400000000 ] - [ 0.0005026800000000, 0.0000518100000000, -0.0006462400000000 ] - [ 0.0013356200000000, 0.0000000000000000, -0.0018190600000000 ] - [ 0.0004900000000000, 0.0005607300000000, 0.0007081600000000 ] - [ 0.0004900000000000, -0.0005607300000000, 0.0007081600000000 ] - [ -0.0047114400000000, 0.0008686600000000, 0.0031579900000000 ] - [ -0.0047114400000000, -0.0008686600000000, 0.0031579900000000 ] - [ -0.0011475600000000, 0.0000000000000000, 0.0016261700000000 ] - [ -0.0002667400000000, 0.0000413600000000, -0.0014447500000000 ] - [ -0.0002667400000000, -0.0000413600000000, -0.0014447500000000 ] - [ -0.0002105200000000, 0.0000000000000000, -0.0011623000000000 ] - [ 0.0021593900000000, -0.0018677100000000, -0.0019066500000000 ] - [ 0.0021593900000000, 0.0018677100000000, -0.0019066500000000 ] - [ 0.0003487700000000, 0.0000000000000000, -0.0004232600000000 ] - [ 0.0250496800000000, 0.0000000000000000, -0.0409320200000000 ] - [ -0.0000168400000000, 0.0017911300000000, 0.0020347800000000 ] - [ -0.0000168400000000, -0.0017911300000000, 0.0020347800000000 ] - [ -0.0060262700000000, 0.0000000000000000, -0.0119913900000000 ] - [ -0.0022699100000000, -0.0049155400000000, -0.0041976900000000 ] - [ -0.0022699100000000, 0.0049155400000000, -0.0041976900000000 ] - [ 0.0003143500000000, 0.0000000000000000, -0.0023923200000000 ] - [ 0.0001471900000000, -0.0000103700000000, -0.0017300200000000 ] - [ 0.0001471900000000, 0.0000103700000000, -0.0017300200000000 ] - [ -0.0024578000000000, -0.0076455900000000, -0.0046572900000000 ] - [ -0.0024578000000000, 0.0076455900000000, -0.0046572900000000 ] - [ -0.0004565600000000, 0.0000000000000000, 0.0000819700000000 ] - [ 0.0062899600000000, 0.0038262400000000, -0.0046375200000000 ] - [ 0.0062899600000000, -0.0038262400000000, -0.0046375200000000 ] - [ 0.0006189500000000, 0.0000000000000000, 0.0001003600000000 ] - [ 0.0002634700000000, -0.0002277400000000, -0.0031710400000000 ] - [ 0.0002634700000000, 0.0002277400000000, -0.0031710400000000 ] - [ 0.0001250300000000, 0.0000000000000000, -0.0027672500000000 ] - [ 0.0001022100000000, -0.0018772200000000, 0.0039747400000000 ] - [ 0.0001022100000000, 0.0018772200000000, 0.0039747400000000 ] - [ -0.0001294200000000, 0.0000000000000000, 0.0026557000000000 ] - [ -0.0012324800000000, 0.0005255100000000, -0.0001493900000000 ] - [ -0.0012324800000000, -0.0005255100000000, -0.0001493900000000 ] - [ -0.0009853900000000, 0.0000000000000000, 0.0000707000000000 ] - [ -0.0004030900000000, -0.0001593900000000, -0.0013634300000000 ] - [ -0.0004030900000000, 0.0001593900000000, -0.0013634300000000 ] - [ -0.0005348300000000, 0.0000000000000000, -0.0004443300000000 ] - [ -0.0098853600000000, 0.0000000000000000, 0.0011329200000000 ] - [ -0.0001364800000000, 0.0005882000000000, 0.0009810900000000 ] - [ -0.0001364800000000, -0.0005882000000000, 0.0009810900000000 ] - [ 0.0011845900000000, 0.0000000000000000, 0.0000515100000000 ] - [ 0.0007496200000000, -0.0001995600000000, 0.0001100200000000 ] - [ 0.0007496200000000, 0.0001995600000000, 0.0001100200000000 ] - [ -0.0004583600000000, 0.0000000000000000, -0.0015215300000000 ] - [ -0.0002613300000000, 0.0002662300000000, -0.0012371300000000 ] - [ -0.0002613300000000, -0.0002662300000000, -0.0012371300000000 ]