# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/487dd102-5826-4042-aa8d-fac762f87fa6/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 Al2SiO5 / Pnma (62) / materials id 4934](https://mdr.nims.go.jp/datasets/252f48c1-08a8-487d-bc9f-94f70226424c) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Pnma" number: 62 Hall_symbol: "-P 2ac 2n"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 7.693403310000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.789796270000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 7.516929480000000 ] # c points: - symbol: O # 1 coordinates: [ 0.278562050000000, 0.514120200000000, 0.126334860000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.721437950000000, 0.014120200000000, 0.873665140000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.221437950000000, 0.485879800000000, 0.626334860000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.778562050000000, 0.985879800000000, 0.373665140000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.721437950000000, 0.485879800000000, 0.873665140000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.278562050000000, 0.985879800000000, 0.126334860000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.778562050000000, 0.514120200000000, 0.373665140000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.221437950000000, 0.014120200000000, 0.626334860000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.502544170000000, 0.250000000000000, 0.523901820000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.497455830000000, 0.750000000000000, 0.476098180000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.997455830000000, 0.750000000000000, 0.023901820000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.002544170000000, 0.250000000000000, 0.976098180000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.408003520000000, 0.250000000000000, 0.861562240000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.591996480000000, 0.750000000000000, 0.138437760000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.091996480000000, 0.750000000000000, 0.361562240000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.908003520000000, 0.250000000000000, 0.638437760000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.433023810000000, 0.750000000000000, 0.857100310000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.566976190000000, 0.250000000000000, 0.142899690000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.066976190000000, 0.250000000000000, 0.357100310000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.933023810000000, 0.750000000000000, 0.642899690000000 ] mass: 15.999400 - symbol: Al # 21 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 26.981539 - symbol: Al # 22 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 26.981539 - symbol: Al # 23 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 26.981539 - symbol: Al # 24 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 26.981539 - symbol: Al # 25 coordinates: [ 0.844219550000000, 0.750000000000000, 0.857794430000000 ] mass: 26.981539 - symbol: Al # 26 coordinates: [ 0.155780450000000, 0.250000000000000, 0.142205570000000 ] mass: 26.981539 - symbol: Al # 27 coordinates: [ 0.655780450000000, 0.250000000000000, 0.357794430000000 ] mass: 26.981539 - symbol: Al # 28 coordinates: [ 0.344219550000000, 0.750000000000000, 0.642205570000000 ] mass: 26.981539 - symbol: Si # 29 coordinates: [ 0.339828720000000, 0.250000000000000, 0.653871670000000 ] mass: 28.085500 - symbol: Si # 30 coordinates: [ 0.660171280000000, 0.750000000000000, 0.346128330000000 ] mass: 28.085500 - symbol: Si # 31 coordinates: [ 0.160171280000000, 0.750000000000000, 0.153871670000000 ] mass: 28.085500 - symbol: Si # 32 coordinates: [ 0.839828720000000, 0.250000000000000, 0.846128330000000 ] mass: 28.085500 reciprocal_lattice: # without 2pi - [ 0.129981486697855, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.172717649009781, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.133033042635382 ] # c*unit_cell: lattice: - [ 7.693403310000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.789796270000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 7.516929480000000 ] # c points: - symbol: O # 1 coordinates: [ 0.278562050000000, 0.514120200000000, 0.126334860000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.721437950000000, 0.014120200000000, 0.873665140000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.221437950000000, 0.485879800000000, 0.626334860000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.778562050000000, 0.985879800000000, 0.373665140000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.721437950000000, 0.485879800000000, 0.873665140000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.278562050000000, 0.985879800000000, 0.126334860000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.778562050000000, 0.514120200000000, 0.373665140000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.221437950000000, 0.014120200000000, 0.626334860000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.502544170000000, 0.250000000000000, 0.523901820000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.497455830000000, 0.750000000000000, 0.476098180000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.997455830000000, 0.750000000000000, 0.023901820000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.002544170000000, 0.250000000000000, 0.976098180000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.408003520000000, 0.250000000000000, 0.861562240000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.591996480000000, 0.750000000000000, 0.138437760000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.091996480000000, 0.750000000000000, 0.361562240000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.908003520000000, 0.250000000000000, 0.638437760000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.433023810000000, 0.750000000000000, 0.857100310000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.566976190000000, 0.250000000000000, 0.142899690000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.066976190000000, 0.250000000000000, 0.357100310000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.933023810000000, 0.750000000000000, 0.642899690000000 ] mass: 15.999400 reduced_to: 20 - symbol: Al # 21 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 21 - symbol: Al # 22 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 22 - symbol: Al # 23 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 26.981539 reduced_to: 23 - symbol: Al # 24 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 26.981539 reduced_to: 24 - symbol: Al # 25 coordinates: [ 0.844219550000000, 0.750000000000000, 0.857794430000000 ] mass: 26.981539 reduced_to: 25 - symbol: Al # 26 coordinates: [ 0.155780450000000, 0.250000000000000, 0.142205570000000 ] mass: 26.981539 reduced_to: 26 - symbol: Al # 27 coordinates: [ 0.655780450000000, 0.250000000000000, 0.357794430000000 ] mass: 26.981539 reduced_to: 27 - symbol: Al # 28 coordinates: [ 0.344219550000000, 0.750000000000000, 0.642205570000000 ] mass: 26.981539 reduced_to: 28 - symbol: Si # 29 coordinates: [ 0.339828720000000, 0.250000000000000, 0.653871670000000 ] mass: 28.085500 reduced_to: 29 - symbol: Si # 30 coordinates: [ 0.660171280000000, 0.750000000000000, 0.346128330000000 ] mass: 28.085500 reduced_to: 30 - symbol: Si # 31 coordinates: [ 0.160171280000000, 0.750000000000000, 0.153871670000000 ] mass: 28.085500 reduced_to: 31 - symbol: Si # 32 coordinates: [ 0.839828720000000, 0.250000000000000, 0.846128330000000 ] mass: 28.085500 reduced_to: 32supercell: lattice: - [ 7.693403310000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 11.579592540000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 15.033858960000000 ] # c points: - symbol: O # 1 coordinates: [ 0.278562050000000, 0.257060100000000, 0.063167430000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.278562050000000, 0.757060100000000, 0.063167430000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.278562050000000, 0.257060100000000, 0.563167430000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 4 coordinates: [ 0.278562050000000, 0.757060100000000, 0.563167430000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 5 coordinates: [ 0.721437950000000, 0.007060100000000, 0.436832570000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.721437950000000, 0.507060100000000, 0.436832570000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 7 coordinates: [ 0.721437950000000, 0.007060100000000, 0.936832570000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 8 coordinates: [ 0.721437950000000, 0.507060100000000, 0.936832570000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 9 coordinates: [ 0.221437950000000, 0.242939900000000, 0.313167430000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.221437950000000, 0.742939900000000, 0.313167430000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.221437950000000, 0.242939900000000, 0.813167430000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 12 coordinates: [ 0.221437950000000, 0.742939900000000, 0.813167430000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 13 coordinates: [ 0.778562050000000, 0.492939900000000, 0.186832570000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.778562050000000, 0.992939900000000, 0.186832570000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.778562050000000, 0.492939900000000, 0.686832570000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 16 coordinates: [ 0.778562050000000, 0.992939900000000, 0.686832570000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 17 coordinates: [ 0.721437950000000, 0.242939900000000, 0.436832570000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.721437950000000, 0.742939900000000, 0.436832570000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.721437950000000, 0.242939900000000, 0.936832570000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 20 coordinates: [ 0.721437950000000, 0.742939900000000, 0.936832570000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 21 coordinates: [ 0.278562050000000, 0.492939900000000, 0.063167430000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.278562050000000, 0.992939900000000, 0.063167430000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.278562050000000, 0.492939900000000, 0.563167430000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 24 coordinates: [ 0.278562050000000, 0.992939900000000, 0.563167430000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 25 coordinates: [ 0.778562050000000, 0.257060100000000, 0.186832570000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.778562050000000, 0.757060100000000, 0.186832570000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.778562050000000, 0.257060100000000, 0.686832570000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 28 coordinates: [ 0.778562050000000, 0.757060100000000, 0.686832570000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 29 coordinates: [ 0.221437950000000, 0.007060100000000, 0.313167430000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.221437950000000, 0.507060100000000, 0.313167430000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 31 coordinates: [ 0.221437950000000, 0.007060100000000, 0.813167430000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 32 coordinates: [ 0.221437950000000, 0.507060100000000, 0.813167430000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 33 coordinates: [ 0.502544170000000, 0.125000000000000, 0.261950910000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.502544170000000, 0.625000000000000, 0.261950910000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.502544170000000, 0.125000000000000, 0.761950910000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 36 coordinates: [ 0.502544170000000, 0.625000000000000, 0.761950910000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 37 coordinates: [ 0.497455830000000, 0.375000000000000, 0.238049090000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.497455830000000, 0.875000000000000, 0.238049090000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.497455830000000, 0.375000000000000, 0.738049090000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.497455830000000, 0.875000000000000, 0.738049090000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 41 coordinates: [ 0.997455830000000, 0.375000000000000, 0.011950910000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.997455830000000, 0.875000000000000, 0.011950910000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.997455830000000, 0.375000000000000, 0.511950910000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 44 coordinates: [ 0.997455830000000, 0.875000000000000, 0.511950910000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 45 coordinates: [ 0.002544170000000, 0.125000000000000, 0.488049090000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.002544170000000, 0.625000000000000, 0.488049090000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.002544170000000, 0.125000000000000, 0.988049090000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 48 coordinates: [ 0.002544170000000, 0.625000000000000, 0.988049090000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 49 coordinates: [ 0.408003520000000, 0.125000000000000, 0.430781120000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.408003520000000, 0.625000000000000, 0.430781120000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.408003520000000, 0.125000000000000, 0.930781120000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.408003520000000, 0.625000000000000, 0.930781120000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.591996480000000, 0.375000000000000, 0.069218880000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.591996480000000, 0.875000000000000, 0.069218880000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.591996480000000, 0.375000000000000, 0.569218880000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.591996480000000, 0.875000000000000, 0.569218880000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.091996480000000, 0.375000000000000, 0.180781120000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.091996480000000, 0.875000000000000, 0.180781120000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.091996480000000, 0.375000000000000, 0.680781120000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.091996480000000, 0.875000000000000, 0.680781120000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.908003520000000, 0.125000000000000, 0.319218880000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.908003520000000, 0.625000000000000, 0.319218880000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.908003520000000, 0.125000000000000, 0.819218880000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.908003520000000, 0.625000000000000, 0.819218880000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.433023810000000, 0.375000000000000, 0.428550155000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.433023810000000, 0.875000000000000, 0.428550155000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.433023810000000, 0.375000000000000, 0.928550155000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.433023810000000, 0.875000000000000, 0.928550155000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.566976190000000, 0.125000000000000, 0.071449845000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.566976190000000, 0.625000000000000, 0.071449845000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.566976190000000, 0.125000000000000, 0.571449845000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 72 coordinates: [ 0.566976190000000, 0.625000000000000, 0.571449845000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 73 coordinates: [ 0.066976190000000, 0.125000000000000, 0.178550155000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.066976190000000, 0.625000000000000, 0.178550155000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.066976190000000, 0.125000000000000, 0.678550155000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.066976190000000, 0.625000000000000, 0.678550155000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.933023810000000, 0.375000000000000, 0.321449845000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.933023810000000, 0.875000000000000, 0.321449845000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.933023810000000, 0.375000000000000, 0.821449845000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 80 coordinates: [ 0.933023810000000, 0.875000000000000, 0.821449845000000 ] mass: 15.999400 reduced_to: 77 - symbol: Al # 81 coordinates: [ 0.000000000000000, 0.250000000000000, 0.250000000000000 ] mass: 26.981539 reduced_to: 81 - symbol: Al # 82 coordinates: [ 0.000000000000000, 0.750000000000000, 0.250000000000000 ] mass: 26.981539 reduced_to: 81 - symbol: Al # 83 coordinates: [ 0.000000000000000, 0.250000000000000, 0.750000000000000 ] mass: 26.981539 reduced_to: 81 - symbol: Al # 84 coordinates: [ 0.000000000000000, 0.750000000000000, 0.750000000000000 ] mass: 26.981539 reduced_to: 81 - symbol: Al # 85 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 26.981539 reduced_to: 85 - symbol: Al # 86 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 26.981539 reduced_to: 85 - symbol: Al # 87 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 26.981539 reduced_to: 85 - symbol: Al # 88 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 26.981539 reduced_to: 85 - symbol: Al # 89 coordinates: [ 0.500000000000000, 0.250000000000000, 0.000000000000000 ] mass: 26.981539 reduced_to: 89 - symbol: Al # 90 coordinates: [ 0.500000000000000, 0.750000000000000, 0.000000000000000 ] mass: 26.981539 reduced_to: 89 - symbol: Al # 91 coordinates: [ 0.500000000000000, 0.250000000000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 89 - symbol: Al # 92 coordinates: [ 0.500000000000000, 0.750000000000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 89 - symbol: Al # 93 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 26.981539 reduced_to: 93 - symbol: Al # 94 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 26.981539 reduced_to: 93 - symbol: Al # 95 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 93 - symbol: Al # 96 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 93 - symbol: Al # 97 coordinates: [ 0.844219550000000, 0.375000000000000, 0.428897215000000 ] mass: 26.981539 reduced_to: 97 - symbol: Al # 98 coordinates: [ 0.844219550000000, 0.875000000000000, 0.428897215000000 ] mass: 26.981539 reduced_to: 97 - symbol: Al # 99 coordinates: [ 0.844219550000000, 0.375000000000000, 0.928897215000000 ] mass: 26.981539 reduced_to: 97 - symbol: Al # 100 coordinates: [ 0.844219550000000, 0.875000000000000, 0.928897215000000 ] mass: 26.981539 reduced_to: 97 - symbol: Al # 101 coordinates: [ 0.155780450000000, 0.125000000000000, 0.071102785000000 ] mass: 26.981539 reduced_to: 101 - symbol: Al # 102 coordinates: [ 0.155780450000000, 0.625000000000000, 0.071102785000000 ] mass: 26.981539 reduced_to: 101 - symbol: Al # 103 coordinates: [ 0.155780450000000, 0.125000000000000, 0.571102785000000 ] mass: 26.981539 reduced_to: 101 - symbol: Al # 104 coordinates: [ 0.155780450000000, 0.625000000000000, 0.571102785000000 ] mass: 26.981539 reduced_to: 101 - symbol: Al # 105 coordinates: [ 0.655780450000000, 0.125000000000000, 0.178897215000000 ] mass: 26.981539 reduced_to: 105 - symbol: Al # 106 coordinates: [ 0.655780450000000, 0.625000000000000, 0.178897215000000 ] mass: 26.981539 reduced_to: 105 - symbol: Al # 107 coordinates: [ 0.655780450000000, 0.125000000000000, 0.678897215000000 ] mass: 26.981539 reduced_to: 105 - symbol: Al # 108 coordinates: [ 0.655780450000000, 0.625000000000000, 0.678897215000000 ] mass: 26.981539 reduced_to: 105 - symbol: Al # 109 coordinates: [ 0.344219550000000, 0.375000000000000, 0.321102785000000 ] mass: 26.981539 reduced_to: 109 - symbol: Al # 110 coordinates: [ 0.344219550000000, 0.875000000000000, 0.321102785000000 ] mass: 26.981539 reduced_to: 109 - symbol: Al # 111 coordinates: [ 0.344219550000000, 0.375000000000000, 0.821102785000000 ] mass: 26.981539 reduced_to: 109 - symbol: Al # 112 coordinates: [ 0.344219550000000, 0.875000000000000, 0.821102785000000 ] mass: 26.981539 reduced_to: 109 - symbol: Si # 113 coordinates: [ 0.339828720000000, 0.125000000000000, 0.326935835000000 ] mass: 28.085500 reduced_to: 113 - symbol: Si # 114 coordinates: [ 0.339828720000000, 0.625000000000000, 0.326935835000000 ] mass: 28.085500 reduced_to: 113 - symbol: Si # 115 coordinates: [ 0.339828720000000, 0.125000000000000, 0.826935835000000 ] mass: 28.085500 reduced_to: 113 - symbol: Si # 116 coordinates: [ 0.339828720000000, 0.625000000000000, 0.826935835000000 ] mass: 28.085500 reduced_to: 113 - symbol: Si # 117 coordinates: [ 0.660171280000000, 0.375000000000000, 0.173064165000000 ] mass: 28.085500 reduced_to: 117 - symbol: Si # 118 coordinates: [ 0.660171280000000, 0.875000000000000, 0.173064165000000 ] mass: 28.085500 reduced_to: 117 - symbol: Si # 119 coordinates: [ 0.660171280000000, 0.375000000000000, 0.673064165000000 ] mass: 28.085500 reduced_to: 117 - symbol: Si # 120 coordinates: [ 0.660171280000000, 0.875000000000000, 0.673064165000000 ] mass: 28.085500 reduced_to: 117 - symbol: Si # 121 coordinates: [ 0.160171280000000, 0.375000000000000, 0.076935835000000 ] mass: 28.085500 reduced_to: 121 - symbol: Si # 122 coordinates: [ 0.160171280000000, 0.875000000000000, 0.076935835000000 ] mass: 28.085500 reduced_to: 121 - symbol: Si # 123 coordinates: [ 0.160171280000000, 0.375000000000000, 0.576935835000000 ] mass: 28.085500 reduced_to: 121 - symbol: Si # 124 coordinates: [ 0.160171280000000, 0.875000000000000, 0.576935835000000 ] mass: 28.085500 reduced_to: 121 - symbol: Si # 125 coordinates: [ 0.839828720000000, 0.125000000000000, 0.423064165000000 ] mass: 28.085500 reduced_to: 125 - symbol: Si # 126 coordinates: [ 0.839828720000000, 0.625000000000000, 0.423064165000000 ] mass: 28.085500 reduced_to: 125 - symbol: Si # 127 coordinates: [ 0.839828720000000, 0.125000000000000, 0.923064165000000 ] mass: 28.085500 reduced_to: 125 - symbol: Si # 128 coordinates: [ 0.839828720000000, 0.625000000000000, 0.923064165000000 ] mass: 28.085500 reduced_to: 125displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.2177687700000000, 0.0486942100000000, 0.0472921700000000 ] - [ -0.0009436300000000, -0.0006664400000000, 0.0004534900000000 ] - [ -0.0002858600000000, -0.0003835000000000, -0.0000714500000000 ] - [ -0.0001558500000000, -0.0004813200000000, -0.0000587300000000 ] - [ 0.0004023700000000, -0.0002520200000000, -0.0003090300000000 ] - [ 0.0004014200000000, -0.0005565100000000, -0.0003343000000000 ] - [ 0.0039138200000000, -0.0003147900000000, -0.0009998800000000 ] - [ 0.0039104300000000, -0.0006430500000000, -0.0000482500000000 ] - [ -0.0016878200000000, 0.0009780900000000, -0.0010754200000000 ] - [ -0.0000834600000000, 0.0002103300000000, -0.0000260400000000 ] - [ -0.0016857800000000, 0.0007114000000000, -0.0008410700000000 ] - [ -0.0000830400000000, 0.0003981500000000, -0.0000232100000000 ] - [ 0.0031111700000000, 0.0012406200000000, 0.0015418300000000 ] - [ 0.0022738100000000, -0.0000126000000000, 0.0014250400000000 ] - [ 0.0001728400000000, 0.0004317400000000, -0.0000389700000000 ] - [ 0.0000302300000000, 0.0004258200000000, -0.0001339000000000 ] - [ 0.0005998000000000, 0.0004723200000000, -0.0004806200000000 ] - [ 0.0002374600000000, 0.0003432700000000, -0.0002099600000000 ] - [ 0.0059362000000000, 0.0005541900000000, -0.0011799600000000 ] - [ 0.0007987200000000, 0.0000744600000000, -0.0001704000000000 ] - [ -0.0066374500000000, 0.0041320200000000, 0.0011342100000000 ] - [ -0.0037287800000000, -0.0012268100000000, 0.0010206600000000 ] - [ -0.0002384400000000, 0.0004415100000000, -0.0000620000000000 ] - [ -0.0002029200000000, 0.0004248000000000, -0.0000690500000000 ] - [ 0.0040713700000000, -0.0004353900000000, 0.0017222900000000 ] - [ 0.0003519900000000, -0.0007367000000000, 0.0002198500000000 ] - [ 0.0003130700000000, -0.0003716200000000, -0.0000103000000000 ] - [ -0.0000837500000000, -0.0004884800000000, -0.0001510300000000 ] - [ -0.0010040500000000, 0.0001046400000000, -0.0006364300000000 ] - [ -0.0011709400000000, -0.0014976800000000, -0.0009936800000000 ] - [ -0.0011712200000000, -0.0011553000000000, -0.0007796900000000 ] - [ -0.0010023900000000, 0.0000855000000000, -0.0004239600000000 ] - [ -0.0012069200000000, -0.0003054100000000, 0.0028092100000000 ] - [ -0.0006209600000000, 0.0000261300000000, 0.0008187900000000 ] - [ 0.0005220500000000, 0.0000522900000000, -0.0014159500000000 ] - [ -0.0000725600000000, 0.0001348500000000, 0.0002164200000000 ] - [ -0.0001900200000000, 0.0008811100000000, 0.0025607000000000 ] - [ -0.0000084400000000, -0.0001843100000000, -0.0000082600000000 ] - [ 0.0009123000000000, 0.0000429700000000, -0.0020403900000000 ] - [ 0.0004545000000000, -0.0001422600000000, -0.0008146900000000 ] - [ 0.0215373000000000, -0.0166465300000000, 0.0126984600000000 ] - [ 0.0000036500000000, 0.0003053800000000, 0.0004441500000000 ] - [ 0.0000485900000000, -0.0000077600000000, 0.0000038300000000 ] - [ 0.0001486300000000, 0.0000079600000000, 0.0002670800000000 ] - [ -0.0003922900000000, 0.0000579200000000, -0.0009244600000000 ] - [ -0.0003037400000000, -0.0000576300000000, -0.0007057900000000 ] - [ 0.0104624600000000, 0.0072783000000000, 0.0078534500000000 ] - [ -0.0000649700000000, -0.0014335700000000, 0.0000639700000000 ] - [ -0.0004476200000000, 0.0001165200000000, -0.0002412000000000 ] - [ -0.0002906900000000, -0.0001715200000000, -0.0005236800000000 ] - [ 0.0001473400000000, -0.0071774600000000, -0.0105571600000000 ] - [ -0.0001299100000000, 0.0006886500000000, -0.0000840100000000 ] - [ 0.0160042700000000, 0.0111851000000000, 0.0036627600000000 ] - [ 0.0002479100000000, -0.0014274600000000, 0.0005411500000000 ] - [ 0.0001456000000000, 0.0000183700000000, -0.0002736000000000 ] - [ 0.0000531500000000, -0.0000185500000000, -0.0000522100000000 ] - [ 0.0064092600000000, -0.0139021100000000, -0.0138956000000000 ] - [ -0.0001805800000000, 0.0005642600000000, 0.0001886800000000 ] - [ -0.0002103100000000, 0.0000674000000000, -0.0003111800000000 ] - [ 0.0000176000000000, -0.0000971800000000, -0.0005045300000000 ] - [ 0.0011665100000000, 0.0000954800000000, -0.0013898500000000 ] - [ 0.0002401000000000, -0.0002345700000000, 0.0000715100000000 ] - [ 0.0004639900000000, -0.0000293000000000, 0.0017302300000000 ] - [ -0.0000049700000000, -0.0001274800000000, 0.0005129200000000 ] - [ -0.0003710200000000, 0.0000005900000000, -0.0002367000000000 ] - [ -0.0002137100000000, 0.0000248700000000, -0.0003702500000000 ] - [ 0.0018808200000000, 0.0085866300000000, -0.0116094200000000 ] - [ -0.0000450400000000, -0.0009007700000000, -0.0002117700000000 ] - [ 0.0164023000000000, -0.0146877800000000, 0.0022236000000000 ] - [ 0.0000529000000000, 0.0007652700000000, 0.0003638500000000 ] - [ 0.0001436800000000, 0.0000147900000000, -0.0002246200000000 ] - [ 0.0000821300000000, -0.0000141900000000, -0.0000421700000000 ] - [ 0.0042103300000000, 0.0095190400000000, -0.0085803400000000 ] - [ 0.0001189100000000, -0.0014493100000000, -0.0002154300000000 ] - [ -0.0001276800000000, 0.0000247100000000, -0.0004320700000000 ] - [ 0.0000225300000000, 0.0000086000000000, -0.0004099000000000 ] - [ 0.0015907800000000, 0.0001269300000000, -0.0020921400000000 ] - [ 0.0001296800000000, 0.0000963500000000, 0.0002579300000000 ] - [ 0.0001739300000000, 0.0001308800000000, 0.0023748400000000 ] - [ -0.0001186200000000, -0.0000542100000000, 0.0003294200000000 ] - [ -0.0040185900000000, -0.0013790100000000, 0.0053129000000000 ] - [ -0.0005062700000000, 0.0004073200000000, 0.0002918200000000 ] - [ 0.0008912300000000, -0.0003620300000000, -0.0005611000000000 ] - [ 0.0002185100000000, 0.0001414300000000, -0.0000237700000000 ] - [ -0.0017950500000000, -0.0036225000000000, 0.0019642800000000 ] - [ -0.0031356200000000, 0.0050220700000000, 0.0032478900000000 ] - [ 0.0006690200000000, -0.0002990600000000, -0.0000865400000000 ] - [ 0.0005981400000000, 0.0005325400000000, -0.0004159100000000 ] - [ 0.0178165400000000, 0.0003229300000000, -0.0034249100000000 ] - [ 0.0000420900000000, 0.0003324900000000, -0.0000000300000000 ] - [ -0.0000868500000000, -0.0000162900000000, 0.0003890000000000 ] - [ 0.0000095500000000, 0.0000987900000000, 0.0003038400000000 ] - [ 0.0005434700000000, 0.0065888000000000, 0.0021750300000000 ] - [ 0.0003658500000000, -0.0066533400000000, 0.0005813500000000 ] - [ -0.0000351900000000, 0.0000464700000000, 0.0003196300000000 ] - [ -0.0000106800000000, -0.0001258300000000, 0.0003656400000000 ] - [ -0.0007828400000000, 0.0000959000000000, 0.0013571300000000 ] - [ -0.0003482700000000, -0.0000510200000000, 0.0006073400000000 ] - [ -0.0106012600000000, -0.0011323900000000, -0.0065839800000000 ] - [ -0.0012574900000000, -0.0001895900000000, 0.0001102800000000 ] - [ 0.0477643200000000, 0.0375602500000000, -0.0072108600000000 ] - [ 0.0020425600000000, 0.0014122500000000, -0.0008210600000000 ] - [ 0.0004929300000000, -0.0000391100000000, 0.0000690000000000 ] - [ 0.0003677800000000, 0.0000448900000000, -0.0000432200000000 ] - [ -0.0045440600000000, 0.0003970200000000, -0.0067233200000000 ] - [ -0.0001771200000000, -0.0003264400000000, -0.0003333100000000 ] - [ -0.0005237000000000, 0.0000325600000000, 0.0010667300000000 ] - [ 0.0000753600000000, -0.0000174600000000, 0.0007159200000000 ] - [ 0.0027690500000000, -0.0001780100000000, -0.0003729200000000 ] - [ 0.0003622300000000, -0.0001266700000000, -0.0005934600000000 ] - [ 0.0025965100000000, -0.0000743900000000, 0.0033857000000000 ] - [ -0.0001358100000000, 0.0007036500000000, 0.0001024500000000 ] - [ 0.0033946500000000, -0.0003043600000000, -0.0008297500000000 ] - [ 0.0014760200000000, 0.0007203200000000, -0.0003431000000000 ] - [ 0.0034831700000000, -0.0002775000000000, 0.0048043300000000 ] - [ 0.0007909500000000, -0.0006459900000000, 0.0000871500000000 ] - [ -0.0067767800000000, -0.0009700700000000, -0.0083623500000000 ] - [ -0.0010104700000000, 0.0009925600000000, -0.0009795900000000 ] - [ -0.0015277000000000, -0.0001140000000000, 0.0010782100000000 ] - [ -0.0007121400000000, 0.0001023800000000, 0.0007817300000000 ] - [ 0.0922457700000000, -0.0724314000000000, -0.0158473800000000 ] - [ 0.0011100600000000, 0.0002422200000000, -0.0011128600000000 ] - [ -0.0001813800000000, -0.0000449200000000, 0.0001432000000000 ] - [ -0.0004243600000000, 0.0000370100000000, 0.0000747700000000 ] - [ 0.0000590900000000, -0.0002551800000000, 0.0012373700000000 ] - [ 0.0003506700000000, 0.0001985100000000, 0.0006921300000000 ] - [ -0.0083255000000000, 0.0002824300000000, -0.0033617200000000 ] - [ -0.0010020500000000, 0.0010688500000000, -0.0007414600000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.2161555400000000, -0.0514090900000000, -0.0460048900000000 ] - [ 0.0006005800000000, -0.0001905000000000, -0.0002746700000000 ] - [ -0.0000588000000000, -0.0004695000000000, 0.0002486600000000 ] - [ -0.0001871300000000, -0.0003728100000000, 0.0002361400000000 ] - [ -0.0000570100000000, -0.0006015100000000, 0.0001289300000000 ] - [ -0.0000583300000000, -0.0002975800000000, 0.0001539700000000 ] - [ -0.0035783200000000, -0.0005458100000000, 0.0008146300000000 ] - [ -0.0035814900000000, -0.0002006800000000, -0.0001409800000000 ] - [ 0.0020314700000000, -0.0001238000000000, 0.0012497100000000 ] - [ 0.0004265500000000, 0.0006428500000000, 0.0002054800000000 ] - [ 0.0020326900000000, 0.0001433300000000, 0.0010255400000000 ] - [ 0.0004268800000000, 0.0004555100000000, 0.0002036000000000 ] - [ -0.0034420100000000, -0.0003793000000000, -0.0017050000000000 ] - [ -0.0026082000000000, 0.0008637100000000, -0.0015958000000000 ] - [ -0.0005173000000000, 0.0004228000000000, -0.0001398100000000 ] - [ -0.0003739300000000, 0.0004271800000000, -0.0000447500000000 ] - [ -0.0002548000000000, 0.0003817500000000, 0.0003024700000000 ] - [ 0.0001050100000000, 0.0005105000000000, 0.0000319300000000 ] - [ -0.0055913700000000, 0.0002945300000000, 0.0009911700000000 ] - [ -0.0004556700000000, 0.0007800300000000, -0.0000068400000000 ] - [ 0.0063120000000000, -0.0033322500000000, -0.0009512400000000 ] - [ 0.0033886900000000, 0.0020855700000000, -0.0008392300000000 ] - [ -0.0001014900000000, 0.0004141100000000, 0.0002416800000000 ] - [ -0.0001402700000000, 0.0004284100000000, 0.0002489000000000 ] - [ -0.0044032900000000, -0.0004217400000000, -0.0018908300000000 ] - [ -0.0006925300000000, -0.0001185600000000, -0.0003989500000000 ] - [ -0.0006588200000000, -0.0004816700000000, -0.0001709600000000 ] - [ -0.0002606300000000, -0.0003650300000000, -0.0000297500000000 ] - [ 0.0013474200000000, -0.0009582900000000, 0.0008142300000000 ] - [ 0.0015139900000000, 0.0006446500000000, 0.0011723300000000 ] - [ 0.0015131700000000, 0.0003008000000000, 0.0009569100000000 ] - [ 0.0013490400000000, -0.0009385900000000, 0.0006019300000000 ] - [ 0.0007250700000000, 0.0003050700000000, -0.0018462000000000 ] - [ 0.0001434200000000, -0.0000256700000000, 0.0001393400000000 ] - [ -0.0009998900000000, -0.0000515900000000, 0.0023753800000000 ] - [ -0.0004039500000000, -0.0001346800000000, 0.0007414700000000 ] - [ 0.0006545900000000, -0.0008769000000000, -0.0035035400000000 ] - [ 0.0004833700000000, 0.0001835000000000, -0.0009480800000000 ] - [ -0.0004384700000000, -0.0000431800000000, 0.0010859600000000 ] - [ 0.0000216600000000, 0.0001419000000000, -0.0001429600000000 ] - [ -0.0213058900000000, 0.0169498500000000, -0.0119047300000000 ] - [ 0.0004775200000000, -0.0003072400000000, 0.0005171300000000 ] - [ 0.0004273900000000, 0.0000078700000000, 0.0009525400000000 ] - [ 0.0003275500000000, -0.0000083000000000, 0.0006908100000000 ] - [ -0.0000839300000000, -0.0000580200000000, -0.0000333900000000 ] - [ -0.0001724900000000, 0.0000574600000000, -0.0002530400000000 ] - [ -0.0109859800000000, -0.0073746600000000, -0.0088743500000000 ] - [ -0.0004020600000000, 0.0014385300000000, -0.0010162100000000 ] - [ 0.0003305200000000, -0.0001156400000000, -0.0002075200000000 ] - [ 0.0001746000000000, 0.0001717000000000, 0.0000731100000000 ] - [ -0.0002965200000000, 0.0071645500000000, 0.0100774800000000 ] - [ 0.0000103200000000, -0.0006922600000000, -0.0003591700000000 ] - [ -0.0156697500000000, -0.0109987300000000, -0.0031969600000000 ] - [ -0.0001332200000000, 0.0014197300000000, -0.0000909800000000 ] - [ -0.0000297500000000, -0.0000185600000000, 0.0007214500000000 ] - [ 0.0000629300000000, 0.0000183700000000, 0.0005001600000000 ] - [ -0.0062359500000000, 0.0139785600000000, 0.0135401300000000 ] - [ 0.0002983800000000, -0.0005645200000000, -0.0006396400000000 ] - [ 0.0003276600000000, -0.0000676400000000, -0.0001406900000000 ] - [ 0.0000988700000000, 0.0000969100000000, 0.0000534800000000 ] - [ -0.0012788100000000, -0.0000952000000000, 0.0018340700000000 ] - [ -0.0003547700000000, 0.0002348100000000, 0.0003794000000000 ] - [ -0.0005779500000000, 0.0000290000000000, -0.0012906400000000 ] - [ -0.0001089300000000, 0.0001292300000000, -0.0000654400000000 ] - [ 0.0001800000000000, -0.0000012000000000, -0.0002265600000000 ] - [ 0.0000235400000000, -0.0000250600000000, -0.0000929000000000 ] - [ -0.0021130200000000, -0.0085665400000000, 0.0111141100000000 ] - [ -0.0001471200000000, 0.0009006300000000, -0.0002506300000000 ] - [ -0.0160138500000000, 0.0144724500000000, -0.0017542900000000 ] - [ 0.0001285500000000, -0.0007612200000000, 0.0000982500000000 ] - [ 0.0000458900000000, -0.0000148500000000, 0.0006862600000000 ] - [ 0.0001081800000000, 0.0000144800000000, 0.0005046400000000 ] - [ -0.0039890200000000, -0.0095573900000000, 0.0081616400000000 ] - [ 0.0000764000000000, 0.0014462900000000, -0.0002507900000000 ] - [ 0.0003191000000000, -0.0000243100000000, -0.0000321000000000 ] - [ 0.0001681100000000, -0.0000085500000000, -0.0000541000000000 ] - [ -0.0017757400000000, -0.0001273800000000, 0.0025479900000000 ] - [ -0.0003189000000000, -0.0000969600000000, 0.0002055600000000 ] - [ -0.0003613700000000, -0.0001313300000000, -0.0019233300000000 ] - [ -0.0000704500000000, 0.0000523900000000, 0.0001316400000000 ] - [ 0.0039995700000000, 0.0013757400000000, -0.0053148400000000 ] - [ 0.0005041400000000, -0.0004054900000000, -0.0002904100000000 ] - [ -0.0008967200000000, 0.0003625400000000, 0.0005651600000000 ] - [ -0.0002196400000000, -0.0001414900000000, 0.0000253800000000 ] - [ 0.0017928600000000, 0.0036103100000000, -0.0019569900000000 ] - [ 0.0031289800000000, -0.0050047600000000, -0.0032353500000000 ] - [ -0.0006708200000000, 0.0003011100000000, 0.0000901100000000 ] - [ -0.0006006100000000, -0.0005351300000000, 0.0004197800000000 ] - [ -0.0153316600000000, -0.0004614500000000, 0.0018760000000000 ] - [ -0.0000361100000000, -0.0003294500000000, 0.0000017700000000 ] - [ 0.0000868400000000, 0.0000163700000000, -0.0003881000000000 ] - [ -0.0000094400000000, -0.0000985500000000, -0.0003031500000000 ] - [ -0.0005263800000000, -0.0065798900000000, -0.0021601100000000 ] - [ -0.0003231000000000, 0.0066433700000000, -0.0005693800000000 ] - [ 0.0000351300000000, -0.0000468300000000, -0.0003188100000000 ] - [ 0.0000106000000000, 0.0001256700000000, -0.0003649500000000 ] - [ 0.0001604200000000, -0.0000960900000000, -0.0005673300000000 ] - [ -0.0002731300000000, 0.0000515600000000, 0.0001799400000000 ] - [ 0.0099882100000000, 0.0011310000000000, 0.0073918500000000 ] - [ 0.0006353400000000, 0.0001956000000000, 0.0006774200000000 ] - [ -0.0474626400000000, -0.0392072400000000, 0.0065203200000000 ] - [ -0.0014459600000000, -0.0013905400000000, 0.0000312500000000 ] - [ 0.0001283900000000, 0.0000392500000000, -0.0008553000000000 ] - [ 0.0002528500000000, -0.0000442400000000, -0.0007428600000000 ] - [ 0.0051606400000000, -0.0003907700000000, 0.0074900800000000 ] - [ 0.0008011500000000, 0.0003209600000000, 0.0011193900000000 ] - [ 0.0011475700000000, -0.0000321300000000, -0.0002765300000000 ] - [ 0.0005471800000000, 0.0000172200000000, 0.0000739600000000 ] - [ -0.0033834900000000, 0.0001812300000000, -0.0004121200000000 ] - [ -0.0009820800000000, 0.0001267200000000, -0.0001957700000000 ] - [ -0.0032249400000000, 0.0000779600000000, -0.0041907300000000 ] - [ -0.0004851700000000, -0.0007030100000000, -0.0008916900000000 ] - [ -0.0024714900000000, 0.0002991100000000, 0.0001603800000000 ] - [ -0.0005570000000000, -0.0007194800000000, -0.0003276400000000 ] - [ -0.0025690300000000, 0.0002716400000000, -0.0054895900000000 ] - [ 0.0001243000000000, 0.0006454200000000, -0.0007634900000000 ] - [ 0.0058566900000000, 0.0009652900000000, 0.0089801400000000 ] - [ 0.0000933100000000, -0.0009871300000000, 0.0016461800000000 ] - [ 0.0006149400000000, 0.0001132400000000, -0.0004051500000000 ] - [ -0.0002036300000000, -0.0001022200000000, -0.0001083400000000 ] - [ -0.0942408800000000, 0.0758869400000000, 0.0156559800000000 ] - [ -0.0020383100000000, -0.0002469500000000, 0.0004397100000000 ] - [ -0.0007358700000000, 0.0000435700000000, -0.0008133000000000 ] - [ -0.0004926600000000, -0.0000367800000000, -0.0007454200000000 ] - [ 0.0008567200000000, 0.0002543100000000, -0.0005635400000000 ] - [ 0.0005670800000000, -0.0001981000000000, -0.0000203600000000 ] - [ 0.0092441000000000, -0.0002729000000000, 0.0040440100000000 ] - [ 0.0019163000000000, -0.0010802000000000, 0.0014141300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0548735200000000, -0.3233315300000000, -0.0191665200000000 ] - [ -0.0004095400000000, 0.0056842200000000, 0.0001290500000000 ] - [ -0.0001293300000000, -0.0010617200000000, 0.0001340800000000 ] - [ -0.0002257300000000, 0.0001326200000000, 0.0001622900000000 ] - [ 0.0003018100000000, -0.0002792900000000, -0.0004248800000000 ] - [ -0.0000040400000000, -0.0002809700000000, 0.0003357800000000 ] - [ 0.0003905300000000, 0.0014643500000000, 0.0015079100000000 ] - [ 0.0000506300000000, 0.0014491000000000, -0.0014737200000000 ] - [ 0.0004598900000000, -0.0026585200000000, 0.0000686400000000 ] - [ 0.0001439900000000, 0.0020849200000000, 0.0001996500000000 ] - [ 0.0007244500000000, -0.0026546600000000, 0.0008526100000000 ] - [ -0.0000459600000000, 0.0020848200000000, -0.0001690400000000 ] - [ -0.0009876200000000, 0.0013007400000000, 0.0011074700000000 ] - [ 0.0002663300000000, 0.0025646800000000, -0.0013694100000000 ] - [ -0.0001765800000000, 0.0003104300000000, -0.0003947200000000 ] - [ -0.0001704700000000, 0.0008243900000000, 0.0002932300000000 ] - [ 0.0002172800000000, -0.0006251200000000, -0.0001268400000000 ] - [ 0.0000871400000000, 0.0011743800000000, 0.0000370500000000 ] - [ 0.0002924200000000, -0.0053345700000000, 0.0001501700000000 ] - [ -0.0001819900000000, 0.0032422600000000, -0.0002224600000000 ] - [ -0.0039234600000000, 0.0279302400000000, -0.0005525700000000 ] - [ 0.0014844600000000, 0.0134702200000000, -0.0000679100000000 ] - [ -0.0001837700000000, 0.0003287800000000, 0.0001330800000000 ] - [ -0.0001694300000000, 0.0005992600000000, 0.0001660100000000 ] - [ -0.0001837000000000, -0.0054154200000000, -0.0000544200000000 ] - [ -0.0004808800000000, 0.0021055800000000, -0.0001563200000000 ] - [ -0.0001172500000000, -0.0015493300000000, 0.0000070500000000 ] - [ -0.0002334300000000, 0.0004080000000000, -0.0001090800000000 ] - [ -0.0003397700000000, 0.0000489500000000, -0.0011603300000000 ] - [ 0.0009013600000000, 0.0006236300000000, 0.0015836900000000 ] - [ 0.0012420600000000, 0.0006276900000000, 0.0018097200000000 ] - [ -0.0003566900000000, 0.0000421300000000, -0.0011867100000000 ] - [ -0.0002125400000000, -0.0007618500000000, -0.0017603000000000 ] - [ -0.0003190200000000, 0.0010221000000000, 0.0013104700000000 ] - [ -0.0012363600000000, -0.0006924100000000, 0.0035537000000000 ] - [ 0.0001018200000000, 0.0005270100000000, -0.0004606400000000 ] - [ 0.0010807200000000, -0.0011846300000000, 0.0016628700000000 ] - [ 0.0004178900000000, 0.0011967300000000, -0.0012784000000000 ] - [ 0.0006443000000000, -0.0007075800000000, -0.0019418000000000 ] - [ -0.0000233300000000, 0.0006539500000000, 0.0000740800000000 ] - [ -0.0169324500000000, 0.0022888000000000, -0.0065644400000000 ] - [ 0.0013912100000000, 0.0026353700000000, 0.0010901500000000 ] - [ 0.0003843200000000, -0.0002638600000000, 0.0008607800000000 ] - [ 0.0002307300000000, 0.0002635000000000, 0.0004563000000000 ] - [ -0.0003157900000000, -0.0002323200000000, -0.0007871600000000 ] - [ -0.0001530100000000, 0.0002381300000000, -0.0001675800000000 ] - [ 0.0122095700000000, 0.0017907700000000, 0.0072197500000000 ] - [ -0.0021368500000000, 0.0027106100000000, -0.0020869500000000 ] - [ 0.0000191100000000, -0.0005055000000000, -0.0008477500000000 ] - [ 0.0000984300000000, 0.0005209200000000, 0.0004095400000000 ] - [ -0.0055743500000000, 0.0054621300000000, 0.0155643500000000 ] - [ 0.0002801500000000, 0.0028541100000000, -0.0024288100000000 ] - [ 0.0087114900000000, -0.0003707700000000, 0.0020046200000000 ] - [ -0.0005360900000000, 0.0029958000000000, -0.0001359000000000 ] - [ 0.0001659000000000, -0.0003677600000000, 0.0001144500000000 ] - [ 0.0000492300000000, 0.0003686700000000, 0.0003875200000000 ] - [ -0.0115871100000000, 0.0037846500000000, 0.0129107200000000 ] - [ 0.0007855800000000, 0.0030572300000000, -0.0016348300000000 ] - [ 0.0002141900000000, -0.0005978400000000, -0.0004654300000000 ] - [ 0.0000093600000000, 0.0005901700000000, 0.0001802200000000 ] - [ 0.0010745800000000, -0.0010156600000000, -0.0023707500000000 ] - [ -0.0004361500000000, 0.0009357200000000, 0.0012958700000000 ] - [ 0.0001578700000000, -0.0009810000000000, 0.0024611600000000 ] - [ 0.0000536400000000, 0.0009260800000000, -0.0009243300000000 ] - [ -0.0000770500000000, -0.0006278000000000, 0.0003636700000000 ] - [ -0.0001459900000000, 0.0006115500000000, -0.0004995900000000 ] - [ 0.0058856900000000, 0.0006335000000000, -0.0123016500000000 ] - [ -0.0003255100000000, 0.0032395700000000, 0.0007653800000000 ] - [ -0.0148880100000000, 0.0050410200000000, -0.0019641900000000 ] - [ 0.0016376700000000, 0.0032045500000000, 0.0005350300000000 ] - [ 0.0000268300000000, -0.0003008500000000, 0.0005566400000000 ] - [ 0.0001301400000000, 0.0003060300000000, 0.0002571800000000 ] - [ 0.0093444600000000, 0.0030142800000000, -0.0107168200000000 ] - [ -0.0012366400000000, 0.0036790500000000, 0.0017786400000000 ] - [ 0.0000231500000000, -0.0004227800000000, 0.0004203200000000 ] - [ 0.0001169900000000, 0.0004322900000000, -0.0006228500000000 ] - [ -0.0014371400000000, -0.0011874300000000, 0.0033785800000000 ] - [ 0.0000564400000000, 0.0010807900000000, -0.0005413800000000 ] - [ -0.0001716200000000, -0.0013971100000000, -0.0016215900000000 ] - [ -0.0001449400000000, 0.0013880800000000, 0.0008981500000000 ] - [ 0.0002234300000000, 0.0109104900000000, -0.0002255400000000 ] - [ 0.0001952600000000, -0.0037800500000000, -0.0002323400000000 ] - [ -0.0003104300000000, 0.0023785000000000, -0.0003824600000000 ] - [ 0.0000763600000000, -0.0017434500000000, 0.0001916600000000 ] - [ -0.0007785200000000, -0.0037018300000000, 0.0039463300000000 ] - [ 0.0017914900000000, -0.0042139900000000, -0.0048668700000000 ] - [ -0.0004477400000000, -0.0006517500000000, -0.0014294900000000 ] - [ 0.0002567400000000, 0.0000314600000000, 0.0012700400000000 ] - [ 0.0025791700000000, 0.0242390200000000, -0.0010537300000000 ] - [ 0.0000463200000000, -0.0054094600000000, 0.0001083700000000 ] - [ 0.0000005300000000, 0.0011277600000000, -0.0000670900000000 ] - [ 0.0000113800000000, -0.0009816700000000, -0.0001792300000000 ] - [ 0.0036376700000000, -0.0067439600000000, -0.0021059100000000 ] - [ -0.0072643900000000, -0.0040585000000000, 0.0038888000000000 ] - [ -0.0000250800000000, -0.0002133700000000, 0.0001580900000000 ] - [ 0.0000304600000000, 0.0000663900000000, -0.0004047900000000 ] - [ 0.0000625400000000, 0.0007635400000000, -0.0008237100000000 ] - [ -0.0004540000000000, -0.0007741100000000, 0.0008024600000000 ] - [ 0.0035292700000000, 0.0041958000000000, 0.0071906200000000 ] - [ -0.0005598100000000, -0.0038295600000000, -0.0007456400000000 ] - [ 0.0405647600000000, 0.0824219200000000, -0.0063187300000000 ] - [ 0.0047881400000000, -0.0108722000000000, -0.0008379600000000 ] - [ 0.0004324000000000, 0.0004149400000000, -0.0006415800000000 ] - [ 0.0001857100000000, -0.0004162200000000, -0.0004324500000000 ] - [ 0.0024562700000000, 0.0028582300000000, 0.0061143300000000 ] - [ -0.0000715100000000, -0.0029332000000000, -0.0010043200000000 ] - [ 0.0010110000000000, 0.0006161200000000, -0.0008019500000000 ] - [ 0.0000409700000000, -0.0006329900000000, 0.0009302100000000 ] - [ -0.0007350800000000, 0.0019542400000000, -0.0033539700000000 ] - [ -0.0003784300000000, -0.0017958600000000, 0.0005567000000000 ] - [ 0.0016423800000000, 0.0027898000000000, 0.0041617600000000 ] - [ -0.0005311900000000, -0.0025501500000000, -0.0017449200000000 ] - [ -0.0001151900000000, 0.0017971800000000, 0.0024262000000000 ] - [ 0.0003083300000000, -0.0020564700000000, -0.0016857700000000 ] - [ -0.0027524900000000, 0.0025500300000000, -0.0089817800000000 ] - [ 0.0009802800000000, -0.0021632400000000, 0.0020956200000000 ] - [ -0.0019995800000000, 0.0040700700000000, -0.0041828700000000 ] - [ -0.0002092800000000, -0.0038648500000000, 0.0016047200000000 ] - [ -0.0010599500000000, 0.0009833900000000, 0.0009208900000000 ] - [ -0.0002099800000000, -0.0009815800000000, -0.0001805300000000 ] - [ -0.0811004100000000, 0.1582731200000000, 0.0179711300000000 ] - [ -0.0038638400000000, -0.0097875200000000, 0.0008446800000000 ] - [ -0.0006525700000000, 0.0006326100000000, -0.0003991800000000 ] - [ -0.0003362800000000, -0.0006281800000000, -0.0006003900000000 ] - [ 0.0001032400000000, 0.0007932100000000, 0.0015154000000000 ] - [ 0.0006822400000000, -0.0008107200000000, -0.0005629200000000 ] - [ -0.0036465700000000, 0.0041033000000000, -0.0054705100000000 ] - [ 0.0013381900000000, -0.0035224900000000, 0.0025890900000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0452496200000000, 0.3195085500000000, 0.0173381600000000 ] - [ 0.0000682400000000, -0.0065360700000000, 0.0000468200000000 ] - [ -0.0002149400000000, 0.0002081700000000, 0.0000456200000000 ] - [ -0.0001155200000000, -0.0009882200000000, 0.0000169500000000 ] - [ 0.0000423700000000, -0.0005736600000000, 0.0002461800000000 ] - [ 0.0003436800000000, -0.0005762900000000, -0.0005144000000000 ] - [ -0.0000529700000000, -0.0023087700000000, -0.0016859600000000 ] - [ 0.0002798800000000, -0.0023244100000000, 0.0012961700000000 ] - [ -0.0001090400000000, 0.0035113600000000, 0.0001110500000000 ] - [ 0.0001999200000000, -0.0012296000000000, -0.0000149200000000 ] - [ -0.0003781800000000, 0.0035154700000000, -0.0006607800000000 ] - [ 0.0003850900000000, -0.0012296500000000, 0.0003456200000000 ] - [ 0.0006339000000000, -0.0004582500000000, -0.0012928000000000 ] - [ -0.0006089300000000, -0.0017013400000000, 0.0011900900000000 ] - [ -0.0001663000000000, 0.0005420800000000, 0.0002181100000000 ] - [ -0.0001704200000000, 0.0000333600000000, -0.0004702200000000 ] - [ 0.0001257400000000, 0.0014803300000000, -0.0000500300000000 ] - [ 0.0002524300000000, -0.0003185100000000, -0.0002132500000000 ] - [ 0.0000318700000000, 0.0061961100000000, -0.0003235000000000 ] - [ 0.0005223300000000, -0.0023875600000000, 0.0000401700000000 ] - [ 0.0035408600000000, -0.0265146200000000, 0.0007221800000000 ] - [ -0.0018266800000000, -0.0127694300000000, 0.0002396700000000 ] - [ -0.0001538400000000, 0.0005271500000000, 0.0000490000000000 ] - [ -0.0001722300000000, 0.0002570700000000, 0.0000157400000000 ] - [ -0.0001681800000000, 0.0045605700000000, -0.0001327600000000 ] - [ 0.0001396100000000, -0.0029600200000000, -0.0000219000000000 ] - [ -0.0002269100000000, 0.0006956200000000, -0.0001849400000000 ] - [ -0.0001087600000000, -0.0012629900000000, -0.0000711200000000 ] - [ 0.0006830800000000, -0.0009001300000000, 0.0013404700000000 ] - [ -0.0005571900000000, -0.0014810700000000, -0.0014002200000000 ] - [ -0.0009015000000000, -0.0014767500000000, -0.0016305200000000 ] - [ 0.0007049500000000, -0.0009070000000000, 0.0013661100000000 ] - [ -0.0002573000000000, 0.0007682600000000, 0.0027113100000000 ] - [ -0.0001530700000000, -0.0010241400000000, -0.0003490900000000 ] - [ 0.0007601100000000, 0.0006963500000000, -0.0025968300000000 ] - [ -0.0005752200000000, -0.0005302800000000, 0.0014133400000000 ] - [ -0.0006029000000000, 0.0011729400000000, -0.0026325400000000 ] - [ 0.0000586700000000, -0.0011951700000000, 0.0003253800000000 ] - [ -0.0001738200000000, 0.0007072500000000, 0.0009956700000000 ] - [ 0.0004988800000000, -0.0006530800000000, -0.0010317100000000 ] - [ 0.0173175800000000, -0.0023183800000000, 0.0074912900000000 ] - [ -0.0009348700000000, -0.0026365400000000, -0.0001434900000000 ] - [ 0.0000917600000000, 0.0002634400000000, 0.0000983500000000 ] - [ 0.0002442100000000, -0.0002632200000000, 0.0005025700000000 ] - [ -0.0001593600000000, 0.0002330700000000, -0.0001673100000000 ] - [ -0.0003206900000000, -0.0002387800000000, -0.0007872400000000 ] - [ -0.0127197400000000, -0.0017721700000000, -0.0081922100000000 ] - [ 0.0016360400000000, -0.0027110900000000, 0.0011134200000000 ] - [ -0.0001338300000000, 0.0005070800000000, 0.0004015900000000 ] - [ -0.0002127000000000, -0.0005215000000000, -0.0008548300000000 ] - [ 0.0055155100000000, -0.0054409300000000, -0.0161123900000000 ] - [ -0.0003878300000000, -0.0028574300000000, 0.0019583900000000 ] - [ -0.0085908500000000, 0.0003075800000000, -0.0015737600000000 ] - [ 0.0006593800000000, -0.0029890300000000, 0.0005835000000000 ] - [ -0.0000500600000000, 0.0003668100000000, 0.0003367400000000 ] - [ 0.0000670300000000, -0.0003680000000000, 0.0000611100000000 ] - [ 0.0116180800000000, -0.0038013400000000, -0.0132606900000000 ] - [ -0.0006807400000000, -0.0030582400000000, 0.0011992000000000 ] - [ -0.0000989700000000, 0.0005961200000000, 0.0000198300000000 ] - [ 0.0001060000000000, -0.0005890400000000, -0.0006287200000000 ] - [ -0.0011897000000000, 0.0010167400000000, 0.0028177600000000 ] - [ 0.0003176000000000, -0.0009381100000000, -0.0008397400000000 ] - [ -0.0002744700000000, 0.0009847600000000, -0.0020117800000000 ] - [ -0.0001696900000000, -0.0009304300000000, 0.0013691600000000 ] - [ -0.0001110300000000, 0.0006264900000000, -0.0008232900000000 ] - [ -0.0000422400000000, -0.0006105400000000, 0.0000428300000000 ] - [ -0.0060591900000000, -0.0007260500000000, 0.0118353100000000 ] - [ 0.0001419100000000, -0.0032349500000000, -0.0012364600000000 ] - [ 0.0151848000000000, -0.0050126200000000, 0.0024260300000000 ] - [ -0.0014299500000000, -0.0032055600000000, -0.0000756600000000 ] - [ 0.0001623200000000, 0.0003023300000000, -0.0000955100000000 ] - [ 0.0000597700000000, -0.0003069100000000, 0.0002045100000000 ] - [ -0.0091981000000000, -0.0029797700000000, 0.0102901800000000 ] - [ 0.0014080700000000, -0.0036738700000000, -0.0022188800000000 ] - [ 0.0001659700000000, 0.0004257800000000, -0.0008763400000000 ] - [ 0.0000719800000000, -0.0004342400000000, 0.0001640200000000 ] - [ 0.0012451600000000, 0.0011862400000000, -0.0029146900000000 ] - [ -0.0002472900000000, -0.0010787600000000, 0.0010060000000000 ] - [ -0.0000174400000000, 0.0013942200000000, 0.0020819000000000 ] - [ -0.0000445000000000, -0.0013853000000000, -0.0004417000000000 ] - [ -0.0002213300000000, -0.0109012800000000, 0.0002188300000000 ] - [ -0.0001904200000000, 0.0037775600000000, 0.0002209700000000 ] - [ 0.0003055100000000, -0.0023783800000000, 0.0003766800000000 ] - [ -0.0000754200000000, 0.0017438200000000, -0.0001889900000000 ] - [ 0.0007846200000000, 0.0036874100000000, -0.0039486000000000 ] - [ -0.0017806400000000, 0.0042254900000000, 0.0048613000000000 ] - [ 0.0004472600000000, 0.0006462400000000, 0.0014287300000000 ] - [ -0.0002575600000000, -0.0000260600000000, -0.0012708300000000 ] - [ -0.0026273100000000, -0.0242869100000000, 0.0011076600000000 ] - [ -0.0000599300000000, 0.0054049100000000, -0.0000975200000000 ] - [ -0.0000005200000000, -0.0011284100000000, 0.0000650800000000 ] - [ -0.0000114600000000, 0.0009815700000000, 0.0001762800000000 ] - [ -0.0036845500000000, 0.0067154000000000, 0.0021286300000000 ] - [ 0.0071887900000000, 0.0041131600000000, -0.0038349400000000 ] - [ 0.0000248200000000, 0.0002110300000000, -0.0001600500000000 ] - [ -0.0000306800000000, -0.0000631900000000, 0.0004018900000000 ] - [ -0.0006838200000000, -0.0007622900000000, 0.0016098700000000 ] - [ -0.0001674700000000, 0.0007733700000000, -0.0000189300000000 ] - [ -0.0041444200000000, -0.0041949300000000, -0.0064149100000000 ] - [ -0.0000541000000000, 0.0038193200000000, 0.0015432800000000 ] - [ -0.0434858000000000, -0.0870823200000000, 0.0060072100000000 ] - [ -0.0041180400000000, 0.0108314700000000, 0.0000515900000000 ] - [ 0.0001894900000000, -0.0004158700000000, -0.0001491300000000 ] - [ 0.0004352600000000, 0.0004181700000000, -0.0003567400000000 ] - [ -0.0018198900000000, -0.0028716100000000, -0.0053037200000000 ] - [ 0.0006871700000000, 0.0029411200000000, 0.0017867000000000 ] - [ -0.0003874200000000, -0.0006182800000000, 0.0015865400000000 ] - [ 0.0005803200000000, 0.0006355900000000, -0.0001415500000000 ] - [ 0.0001026300000000, -0.0019470400000000, 0.0025669200000000 ] - [ -0.0002449000000000, 0.0017928200000000, -0.0013520200000000 ] - [ -0.0022780700000000, -0.0027816400000000, -0.0049881400000000 ] - [ -0.0000882900000000, 0.0025447700000000, 0.0009633800000000 ] - [ 0.0010248200000000, -0.0018029000000000, -0.0030978500000000 ] - [ 0.0006058700000000, 0.0020579600000000, 0.0010049400000000 ] - [ 0.0036693400000000, -0.0025664200000000, 0.0082876600000000 ] - [ -0.0000614100000000, 0.0021740600000000, -0.0027536700000000 ] - [ 0.0011088600000000, -0.0040568800000000, 0.0048950600000000 ] - [ -0.0007111100000000, 0.0038557100000000, -0.0009347700000000 ] - [ 0.0001491400000000, -0.0009815800000000, -0.0002550300000000 ] - [ -0.0007072300000000, 0.0009794600000000, 0.0008525600000000 ] - [ 0.0739734600000000, -0.1509209800000000, -0.0171643500000000 ] - [ 0.0029874700000000, 0.0098116400000000, -0.0015240100000000 ] - [ -0.0002642500000000, -0.0006324800000000, -0.0002770500000000 ] - [ -0.0005803400000000, 0.0006271400000000, -0.0000731300000000 ] - [ 0.0008127700000000, -0.0007949300000000, -0.0008431000000000 ] - [ 0.0002356900000000, 0.0008122100000000, 0.0012297200000000 ] - [ 0.0045621400000000, -0.0041068700000000, 0.0061362100000000 ] - [ -0.0004070900000000, 0.0035383800000000, -0.0019039600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0457400700000000, -0.0185644500000000, -0.0873844800000000 ] - [ 0.0001929000000000, -0.0003878600000000, -0.0009284500000000 ] - [ -0.0003324600000000, -0.0003822000000000, 0.0010773400000000 ] - [ -0.0003181400000000, -0.0003550200000000, 0.0007182400000000 ] - [ -0.0000716300000000, -0.0008527300000000, 0.0007033500000000 ] - [ -0.0000482400000000, -0.0000910300000000, 0.0007031500000000 ] - [ 0.0002209800000000, 0.0009582500000000, -0.0005455800000000 ] - [ -0.0007282200000000, -0.0020268800000000, -0.0005433300000000 ] - [ 0.0011056300000000, -0.0003310700000000, 0.0022974400000000 ] - [ 0.0002845600000000, 0.0006845300000000, 0.0002759600000000 ] - [ 0.0013311500000000, 0.0004487600000000, 0.0022899300000000 ] - [ 0.0002859000000000, 0.0003197400000000, 0.0002771600000000 ] - [ -0.0017990900000000, 0.0016285300000000, -0.0013342100000000 ] - [ -0.0016839900000000, -0.0008537400000000, -0.0009994900000000 ] - [ -0.0002205200000000, 0.0001216000000000, 0.0005944600000000 ] - [ -0.0001256400000000, 0.0008085400000000, 0.0005827600000000 ] - [ -0.0002195600000000, 0.0003886700000000, 0.0010077100000000 ] - [ 0.0000495200000000, 0.0005526500000000, 0.0004269800000000 ] - [ -0.0009059800000000, 0.0006657400000000, -0.0005068000000000 ] - [ 0.0000903300000000, 0.0002945000000000, -0.0005343000000000 ] - [ 0.0008749600000000, 0.0010536500000000, -0.0049164200000000 ] - [ 0.0007607200000000, 0.0005810500000000, -0.0026020700000000 ] - [ -0.0003209100000000, 0.0003869500000000, 0.0009112700000000 ] - [ -0.0003301200000000, 0.0003513500000000, 0.0008722000000000 ] - [ -0.0019780100000000, -0.0004667300000000, -0.0013566900000000 ] - [ -0.0004796600000000, -0.0003610700000000, -0.0006425500000000 ] - [ -0.0002508700000000, -0.0005225900000000, 0.0007541000000000 ] - [ -0.0001102500000000, -0.0004086000000000, 0.0004032100000000 ] - [ 0.0006840600000000, -0.0017057700000000, 0.0009740500000000 ] - [ 0.0010401400000000, 0.0012956400000000, 0.0013453000000000 ] - [ 0.0012487900000000, 0.0010610500000000, 0.0013425900000000 ] - [ 0.0008945600000000, -0.0016752300000000, 0.0009738800000000 ] - [ 0.0006766200000000, -0.0009850600000000, 0.0009978000000000 ] - [ -0.0000373900000000, 0.0005552000000000, 0.0003212400000000 ] - [ -0.0014733800000000, 0.0001515700000000, 0.0033279600000000 ] - [ -0.0005702800000000, -0.0003494700000000, 0.0010416400000000 ] - [ 0.0025494100000000, 0.0013241800000000, -0.0000058000000000 ] - [ 0.0003777600000000, -0.0003582700000000, -0.0009791500000000 ] - [ -0.0007927600000000, -0.0002003400000000, 0.0019814700000000 ] - [ -0.0001560600000000, 0.0002888000000000, 0.0002650400000000 ] - [ 0.0082302200000000, -0.0048197500000000, -0.0047947100000000 ] - [ -0.0004109500000000, 0.0003324200000000, -0.0008554100000000 ] - [ 0.0007856400000000, 0.0000563900000000, 0.0019740600000000 ] - [ 0.0005936100000000, -0.0000484000000000, 0.0013637700000000 ] - [ 0.0002489800000000, -0.0001131400000000, 0.0009367800000000 ] - [ 0.0001067000000000, 0.0000986700000000, 0.0003969600000000 ] - [ 0.0054243900000000, 0.0035186000000000, -0.0012208400000000 ] - [ -0.0010283000000000, -0.0003818700000000, -0.0015956100000000 ] - [ 0.0004589300000000, -0.0003475800000000, 0.0015211400000000 ] - [ 0.0002883700000000, 0.0003212300000000, 0.0008146600000000 ] - [ -0.0062530000000000, 0.0112156500000000, 0.0102371500000000 ] - [ 0.0000190400000000, -0.0010747500000000, -0.0012823400000000 ] - [ -0.0001946900000000, 0.0001633500000000, -0.0055985100000000 ] - [ -0.0003267700000000, 0.0000600700000000, -0.0014290900000000 ] - [ 0.0002822700000000, -0.0000249300000000, 0.0020068200000000 ] - [ 0.0002667200000000, 0.0000215500000000, 0.0013662300000000 ] - [ -0.0149516500000000, 0.0171238400000000, 0.0112873800000000 ] - [ 0.0004304300000000, -0.0009104500000000, -0.0014427400000000 ] - [ -0.0000669800000000, -0.0002434600000000, 0.0014022500000000 ] - [ -0.0000697400000000, 0.0002173300000000, 0.0008503800000000 ] - [ -0.0011938600000000, -0.0003937000000000, 0.0026116900000000 ] - [ -0.0003117200000000, 0.0005424400000000, 0.0007593900000000 ] - [ 0.0000016400000000, 0.0003798500000000, 0.0010501100000000 ] - [ -0.0000994100000000, -0.0003707900000000, 0.0003665500000000 ] - [ 0.0002940300000000, 0.0002429900000000, 0.0014031800000000 ] - [ 0.0001240400000000, -0.0002243300000000, 0.0006196100000000 ] - [ -0.0084538000000000, -0.0116212500000000, 0.0101561500000000 ] - [ -0.0001457300000000, 0.0012647100000000, -0.0012337200000000 ] - [ -0.0000685700000000, -0.0004239900000000, -0.0056726000000000 ] - [ -0.0001789700000000, 0.0000305700000000, -0.0013285000000000 ] - [ 0.0002771700000000, 0.0000171500000000, 0.0018408300000000 ] - [ 0.0002623200000000, -0.0000126100000000, 0.0012947400000000 ] - [ -0.0083383000000000, -0.0103458700000000, 0.0055605400000000 ] - [ 0.0002891300000000, 0.0016517800000000, -0.0012072100000000 ] - [ 0.0000858000000000, 0.0002060100000000, 0.0012750800000000 ] - [ 0.0000156500000000, -0.0001759300000000, 0.0006840300000000 ] - [ -0.0016924800000000, 0.0001777300000000, 0.0034658300000000 ] - [ -0.0002898500000000, -0.0004169000000000, 0.0005316200000000 ] - [ 0.0000231100000000, -0.0005185800000000, 0.0009659000000000 ] - [ -0.0000322700000000, 0.0004477300000000, 0.0004187400000000 ] - [ 0.0045584900000000, 0.0016037800000000, -0.0053476700000000 ] - [ 0.0002866300000000, -0.0002823300000000, 0.0000742200000000 ] - [ -0.0009768100000000, 0.0001699400000000, -0.0020183300000000 ] - [ -0.0000808800000000, -0.0000120900000000, -0.0007508700000000 ] - [ 0.0011010200000000, 0.0042520400000000, -0.0020287800000000 ] - [ 0.0022328800000000, -0.0061339900000000, -0.0032713900000000 ] - [ -0.0005382000000000, -0.0007487200000000, -0.0013799900000000 ] - [ -0.0003423500000000, 0.0006011900000000, -0.0012609400000000 ] - [ -0.0048208300000000, -0.0002762500000000, 0.0196404700000000 ] - [ 0.0001545500000000, -0.0000476600000000, 0.0019352400000000 ] - [ -0.0000599200000000, -0.0000522300000000, -0.0021836400000000 ] - [ -0.0000600100000000, -0.0001098100000000, -0.0013340000000000 ] - [ 0.0011873300000000, -0.0032379500000000, 0.0050820900000000 ] - [ 0.0006549200000000, 0.0037114800000000, 0.0058713600000000 ] - [ -0.0000553400000000, 0.0003079200000000, -0.0017282700000000 ] - [ -0.0000626300000000, -0.0001459700000000, -0.0017806600000000 ] - [ 0.0000028400000000, -0.0002984100000000, -0.0020537300000000 ] - [ -0.0003800200000000, 0.0002568700000000, -0.0006950500000000 ] - [ -0.0003611100000000, 0.0008554100000000, -0.0001584100000000 ] - [ 0.0001595000000000, -0.0010646900000000, 0.0012216700000000 ] - [ -0.0039638200000000, -0.0015968100000000, 0.0192662600000000 ] - [ 0.0002158400000000, -0.0004702300000000, 0.0020205000000000 ] - [ 0.0002615200000000, 0.0000228300000000, -0.0024856800000000 ] - [ 0.0003011700000000, -0.0000216600000000, -0.0018225300000000 ] - [ 0.0002806600000000, 0.0013679700000000, 0.0031148700000000 ] - [ 0.0007034100000000, -0.0010006200000000, 0.0018854800000000 ] - [ 0.0009578400000000, -0.0002809300000000, -0.0018590600000000 ] - [ 0.0003650100000000, 0.0002706000000000, -0.0008799300000000 ] - [ -0.0016413200000000, -0.0012978800000000, -0.0040302200000000 ] - [ -0.0008391400000000, 0.0007832000000000, -0.0007763800000000 ] - [ -0.0021442400000000, 0.0011876800000000, -0.0062235600000000 ] - [ -0.0000949200000000, -0.0012842000000000, -0.0009168200000000 ] - [ -0.0007768900000000, 0.0019893100000000, -0.0034672900000000 ] - [ -0.0003770500000000, -0.0014131800000000, -0.0011724700000000 ] - [ -0.0015484300000000, -0.0012182000000000, -0.0076152800000000 ] - [ 0.0006637500000000, 0.0014693000000000, -0.0006674600000000 ] - [ -0.0013312100000000, -0.0009699800000000, 0.0052191200000000 ] - [ 0.0000831800000000, 0.0007411600000000, 0.0022607900000000 ] - [ 0.0003327000000000, 0.0003209600000000, -0.0022274000000000 ] - [ -0.0004321200000000, -0.0003181900000000, -0.0012008000000000 ] - [ -0.0137473400000000, 0.0129984700000000, 0.0361863400000000 ] - [ -0.0007035500000000, 0.0001629500000000, 0.0023789600000000 ] - [ -0.0005675000000000, 0.0000238200000000, -0.0027140400000000 ] - [ -0.0004232100000000, -0.0000247800000000, -0.0019646800000000 ] - [ 0.0006817000000000, 0.0004844800000000, -0.0021025200000000 ] - [ 0.0004264700000000, -0.0004376700000000, -0.0009694000000000 ] - [ -0.0003465800000000, -0.0007559300000000, -0.0007071100000000 ] - [ 0.0012079100000000, 0.0012543600000000, 0.0009497800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0475178600000000, 0.0179240900000000, 0.0882102600000000 ] - [ -0.0005350900000000, -0.0004710400000000, 0.0011058700000000 ] - [ -0.0000123400000000, -0.0004712000000000, -0.0008994900000000 ] - [ -0.0000234900000000, -0.0005007900000000, -0.0005400700000000 ] - [ 0.0004162500000000, -0.0000031800000000, -0.0008828200000000 ] - [ 0.0003891600000000, -0.0007626400000000, -0.0008831300000000 ] - [ 0.0001283300000000, -0.0018118600000000, 0.0003700200000000 ] - [ 0.0010861500000000, 0.0011662600000000, 0.0003722500000000 ] - [ -0.0007615000000000, 0.0011829900000000, -0.0021118600000000 ] - [ 0.0000571300000000, 0.0001703800000000, -0.0000973400000000 ] - [ -0.0009938200000000, 0.0004066800000000, -0.0021188600000000 ] - [ 0.0000543600000000, 0.0005347500000000, -0.0000957800000000 ] - [ 0.0014481200000000, -0.0007714100000000, 0.0011474400000000 ] - [ 0.0013371600000000, 0.0017063800000000, 0.0008169400000000 ] - [ -0.0001198800000000, 0.0007346200000000, -0.0007702100000000 ] - [ -0.0002149100000000, 0.0000455200000000, -0.0007594200000000 ] - [ 0.0005630000000000, 0.0004658900000000, -0.0011845500000000 ] - [ 0.0002909100000000, 0.0003028700000000, -0.0006052800000000 ] - [ 0.0012650700000000, 0.0001925100000000, 0.0003349900000000 ] - [ 0.0002538900000000, 0.0005573900000000, 0.0003583100000000 ] - [ -0.0012100200000000, -0.0002208300000000, 0.0050920100000000 ] - [ -0.0010989400000000, 0.0002741200000000, 0.0027833400000000 ] - [ -0.0000172700000000, 0.0004714300000000, -0.0007305300000000 ] - [ -0.0000121300000000, 0.0005021200000000, -0.0006915000000000 ] - [ 0.0016352300000000, -0.0003889600000000, 0.0011686100000000 ] - [ 0.0001393900000000, -0.0004960800000000, 0.0004601300000000 ] - [ -0.0000903100000000, -0.0003311200000000, -0.0009318700000000 ] - [ -0.0002316200000000, -0.0004469600000000, -0.0005820500000000 ] - [ -0.0003423300000000, 0.0008464500000000, -0.0007966900000000 ] - [ -0.0006971400000000, -0.0021452900000000, -0.0011659900000000 ] - [ -0.0009168400000000, -0.0019231100000000, -0.0011682700000000 ] - [ -0.0005558000000000, 0.0008248900000000, -0.0007964500000000 ] - [ -0.0011432100000000, 0.0009791600000000, -0.0000393700000000 ] - [ -0.0004352700000000, -0.0005537300000000, 0.0006321800000000 ] - [ 0.0010034800000000, -0.0001503700000000, -0.0023793600000000 ] - [ 0.0000958100000000, 0.0003504700000000, -0.0000837400000000 ] - [ -0.0020559900000000, -0.0013102200000000, -0.0009441000000000 ] - [ 0.0000973400000000, 0.0003566100000000, 0.0000199100000000 ] - [ 0.0012694600000000, 0.0002008400000000, -0.0029420200000000 ] - [ 0.0006311000000000, -0.0002904000000000, -0.0012210700000000 ] - [ -0.0077245200000000, 0.0047803000000000, 0.0058165200000000 ] - [ 0.0008859600000000, -0.0003323500000000, 0.0018114400000000 ] - [ -0.0003108000000000, -0.0000559800000000, -0.0010162500000000 ] - [ -0.0001197600000000, 0.0000477800000000, -0.0004066800000000 ] - [ -0.0007246000000000, 0.0001124400000000, -0.0018920500000000 ] - [ -0.0005809500000000, -0.0000983100000000, -0.0013543100000000 ] - [ -0.0059138600000000, -0.0035241700000000, 0.0002921100000000 ] - [ 0.0005578500000000, 0.0003727100000000, 0.0006433700000000 ] - [ -0.0005737600000000, 0.0003463300000000, -0.0019657500000000 ] - [ -0.0004034700000000, -0.0003199100000000, -0.0012644400000000 ] - [ 0.0062434500000000, -0.0113859900000000, -0.0108165800000000 ] - [ -0.0001352100000000, 0.0010767500000000, 0.0008427700000000 ] - [ 0.0002810200000000, -0.0001774200000000, 0.0060392400000000 ] - [ 0.0004421200000000, -0.0000595200000000, 0.0018756600000000 ] - [ -0.0001656300000000, 0.0000251600000000, -0.0015591000000000 ] - [ -0.0001508300000000, -0.0000221800000000, -0.0009183300000000 ] - [ 0.0148666400000000, -0.0169229100000000, -0.0115839000000000 ] - [ -0.0003140100000000, 0.0009069400000000, 0.0009893000000000 ] - [ 0.0001799600000000, 0.0002448500000000, -0.0018495100000000 ] - [ 0.0001840900000000, -0.0002186800000000, -0.0012985000000000 ] - [ 0.0010780700000000, 0.0003934400000000, -0.0021642500000000 ] - [ 0.0001964300000000, -0.0005414700000000, -0.0003117500000000 ] - [ -0.0001189600000000, -0.0003797600000000, -0.0005934200000000 ] - [ -0.0000168700000000, 0.0003696500000000, 0.0000876400000000 ] - [ -0.0004827700000000, -0.0002417800000000, -0.0018615300000000 ] - [ -0.0003130500000000, 0.0002230300000000, -0.0010798400000000 ] - [ 0.0083999600000000, 0.0117943900000000, -0.0107468800000000 ] - [ -0.0000420500000000, -0.0012717400000000, 0.0007780000000000 ] - [ 0.0002309800000000, 0.0004465400000000, 0.0061369400000000 ] - [ 0.0003642100000000, -0.0000354900000000, 0.0017861800000000 ] - [ -0.0000875600000000, -0.0000174900000000, -0.0013812700000000 ] - [ -0.0000725400000000, 0.0000133000000000, -0.0008337200000000 ] - [ 0.0084377300000000, 0.0102584200000000, -0.0059744300000000 ] - [ -0.0000972000000000, -0.0016490400000000, 0.0007393700000000 ] - [ 0.0001011000000000, -0.0002065300000000, -0.0017346100000000 ] - [ 0.0001724100000000, 0.0001763400000000, -0.0011422300000000 ] - [ 0.0015013200000000, -0.0001780200000000, -0.0030028800000000 ] - [ 0.0001003800000000, 0.0004153000000000, -0.0000728500000000 ] - [ -0.0002138900000000, 0.0005208200000000, -0.0004928700000000 ] - [ -0.0001586500000000, -0.0004490200000000, 0.0000441700000000 ] - [ -0.0045424400000000, -0.0016002600000000, 0.0053411200000000 ] - [ -0.0002866400000000, 0.0002841500000000, -0.0000702700000000 ] - [ 0.0009853100000000, -0.0001727400000000, 0.0020153600000000 ] - [ 0.0000821000000000, 0.0000138600000000, 0.0007469200000000 ] - [ -0.0011006200000000, -0.0042501200000000, 0.0020314600000000 ] - [ -0.0022324000000000, 0.0061287800000000, 0.0032756600000000 ] - [ 0.0005426700000000, 0.0007493800000000, 0.0013771800000000 ] - [ 0.0003453700000000, -0.0006009600000000, 0.0012549100000000 ] - [ 0.0055378400000000, 0.0002260200000000, -0.0198486100000000 ] - [ -0.0001560400000000, 0.0000521900000000, -0.0019393400000000 ] - [ 0.0000590800000000, 0.0000518100000000, 0.0021818200000000 ] - [ 0.0000597400000000, 0.0001101800000000, 0.0013337000000000 ] - [ -0.0012004100000000, 0.0032443800000000, -0.0051032500000000 ] - [ -0.0006525300000000, -0.0037174000000000, -0.0058982900000000 ] - [ 0.0000547000000000, -0.0003056900000000, 0.0017273000000000 ] - [ 0.0000621400000000, 0.0001437600000000, 0.0017796100000000 ] - [ -0.0006246100000000, 0.0002964400000000, 0.0028401900000000 ] - [ -0.0002425400000000, -0.0002548100000000, 0.0014824500000000 ] - [ -0.0002977400000000, -0.0008650200000000, 0.0008982000000000 ] - [ -0.0007818000000000, 0.0010647600000000, -0.0004377000000000 ] - [ 0.0048996100000000, 0.0020231200000000, -0.0201631200000000 ] - [ 0.0003955800000000, 0.0004920500000000, -0.0027986300000000 ] - [ 0.0003604000000000, -0.0000217800000000, 0.0016971700000000 ] - [ 0.0003204900000000, 0.0000216300000000, 0.0010344900000000 ] - [ 0.0003390500000000, -0.0013651800000000, -0.0023039400000000 ] - [ -0.0000812000000000, 0.0009999000000000, -0.0010891100000000 ] - [ -0.0003397600000000, 0.0002817300000000, 0.0026482000000000 ] - [ 0.0002558500000000, -0.0002712000000000, 0.0016668900000000 ] - [ 0.0010162600000000, 0.0012884000000000, 0.0032316300000000 ] - [ 0.0002162000000000, -0.0007797600000000, -0.0000105100000000 ] - [ 0.0015271900000000, -0.0011942300000000, 0.0054475900000000 ] - [ -0.0005260700000000, 0.0012908300000000, 0.0001272400000000 ] - [ 0.0016900300000000, -0.0019785300000000, 0.0027862100000000 ] - [ 0.0012914600000000, 0.0014095200000000, 0.0005034800000000 ] - [ 0.0024716500000000, 0.0012220000000000, 0.0069667000000000 ] - [ 0.0002529900000000, -0.0014744500000000, -0.0000097100000000 ] - [ 0.0004092200000000, 0.0009669900000000, -0.0045085200000000 ] - [ -0.0010000200000000, -0.0007390600000000, -0.0015829900000000 ] - [ -0.0012530000000000, -0.0003227800000000, 0.0028990900000000 ] - [ -0.0004853100000000, 0.0003196000000000, 0.0018720100000000 ] - [ 0.0133353300000000, -0.0136488600000000, -0.0371948100000000 ] - [ -0.0002183500000000, -0.0001642500000000, -0.0030436200000000 ] - [ -0.0003489100000000, -0.0000266900000000, 0.0020407000000000 ] - [ -0.0004926600000000, 0.0000263300000000, 0.0012923300000000 ] - [ 0.0002344500000000, -0.0004831800000000, 0.0027742400000000 ] - [ 0.0004898000000000, 0.0004363000000000, 0.0016418300000000 ] - [ 0.0012452700000000, 0.0007542700000000, 0.0013597200000000 ] - [ -0.0002950300000000, -0.0012454200000000, -0.0002882100000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0011297500000000, -0.0004073100000000, 0.0009987200000000 ] - [ -0.0005526500000000, -0.0005091000000000, 0.0002873100000000 ] - [ 0.0005929700000000, -0.0014295400000000, -0.0011521900000000 ] - [ -0.0000042800000000, -0.0000878700000000, -0.0002436700000000 ] - [ -0.0002592300000000, -0.0012710300000000, 0.0022194100000000 ] - [ -0.0000769600000000, -0.0006059700000000, 0.0000521800000000 ] - [ 0.0008438800000000, -0.0008329200000000, -0.0011175900000000 ] - [ 0.0003871300000000, -0.0001662300000000, -0.0004825900000000 ] - [ 0.0214689400000000, -0.0165572600000000, -0.0077966600000000 ] - [ -0.0000615000000000, 0.0015855700000000, 0.0007373800000000 ] - [ -0.0000179600000000, 0.0005724800000000, -0.0004583900000000 ] - [ 0.0000820300000000, 0.0004199700000000, -0.0002675600000000 ] - [ -0.0000105000000000, 0.0023175000000000, 0.0007040100000000 ] - [ 0.0105977700000000, -0.0121083000000000, -0.0058082300000000 ] - [ -0.0002374100000000, 0.0003421700000000, -0.0004330100000000 ] - [ -0.0003266300000000, 0.0005058300000000, -0.0005757400000000 ] - [ -0.0002592300000000, 0.0012710300000000, 0.0022194100000000 ] - [ -0.0000769600000000, 0.0006059700000000, 0.0000521800000000 ] - [ 0.0008438800000000, 0.0008329200000000, -0.0011175900000000 ] - [ 0.0003871300000000, 0.0001662300000000, -0.0004825900000000 ] - [ -0.0005526500000000, 0.0005091000000000, 0.0002873100000000 ] - [ -0.0011297500000000, 0.0004073100000000, 0.0009987200000000 ] - [ -0.0000042800000000, 0.0000878700000000, -0.0002436700000000 ] - [ 0.0005929700000000, 0.0014295400000000, -0.0011521900000000 ] - [ 0.0105977700000000, 0.0121083000000000, -0.0058082300000000 ] - [ -0.0000105000000000, -0.0023175000000000, 0.0007040100000000 ] - [ -0.0003266300000000, -0.0005058300000000, -0.0005757400000000 ] - [ -0.0002374100000000, -0.0003421700000000, -0.0004330100000000 ] - [ 0.0214689400000000, 0.0165572600000000, -0.0077966600000000 ] - [ -0.0000615000000000, -0.0015855700000000, 0.0007373800000000 ] - [ -0.0000179600000000, -0.0005724800000000, -0.0004583900000000 ] - [ 0.0000820300000000, -0.0004199700000000, -0.0002675600000000 ] - [ -0.3542456500000000, 0.0000000000000000, 0.2762973900000000 ] - [ -0.0012234300000000, 0.0000000000000000, 0.0015105600000000 ] - [ 0.0000647700000000, 0.0000000000000000, -0.0004586400000000 ] - [ -0.0000713600000000, 0.0000000000000000, 0.0000273300000000 ] - [ -0.0051853800000000, 0.0015322800000000, 0.0025770300000000 ] - [ -0.0051853800000000, -0.0015322800000000, 0.0025770300000000 ] - [ 0.0004283400000000, -0.0000174900000000, -0.0010694400000000 ] - [ 0.0004283400000000, 0.0000174900000000, -0.0010694400000000 ] - [ 0.0008116900000000, 0.0002481900000000, 0.0005534500000000 ] - [ 0.0008116900000000, -0.0002481900000000, 0.0005534500000000 ] - [ 0.0008119500000000, -0.0002049300000000, 0.0003059500000000 ] - [ 0.0008119500000000, 0.0002049300000000, 0.0003059500000000 ] - [ 0.0017903300000000, 0.0000000000000000, 0.0003406300000000 ] - [ -0.0001178500000000, 0.0000000000000000, -0.0003861000000000 ] - [ 0.0003722400000000, 0.0000000000000000, -0.0004022900000000 ] - [ -0.0001666200000000, 0.0000000000000000, -0.0005749500000000 ] - [ -0.0032638500000000, 0.0000000000000000, -0.0131990200000000 ] - [ -0.0002165500000000, 0.0000000000000000, -0.0000423000000000 ] - [ -0.0011316800000000, 0.0000000000000000, -0.0020739200000000 ] - [ -0.0002308200000000, 0.0000000000000000, -0.0006560200000000 ] - [ -0.0012276200000000, 0.0017106400000000, -0.0009852200000000 ] - [ -0.0012276200000000, -0.0017106400000000, -0.0009852200000000 ] - [ -0.0004247600000000, -0.0000752900000000, -0.0003631700000000 ] - [ -0.0004247600000000, 0.0000752900000000, -0.0003631700000000 ] - [ 0.0018694700000000, -0.0006391800000000, 0.0018664800000000 ] - [ 0.0018694700000000, 0.0006391800000000, 0.0018664800000000 ] - [ 0.0003502200000000, -0.0001702700000000, -0.0010658400000000 ] - [ 0.0003502200000000, 0.0001702700000000, -0.0010658400000000 ] - [ 0.0098294300000000, 0.0000000000000000, 0.0035069800000000 ] - [ 0.0001179700000000, 0.0000000000000000, 0.0010115500000000 ] - [ 0.0002648900000000, 0.0000000000000000, -0.0006877800000000 ] - [ 0.0001145500000000, 0.0000000000000000, -0.0003520000000000 ] - [ -0.0019051100000000, -0.0019973800000000, -0.0012092100000000 ] - [ -0.0019051100000000, 0.0019973800000000, -0.0012092100000000 ] - [ -0.0005020300000000, 0.0001743200000000, -0.0009116400000000 ] - [ -0.0005020300000000, -0.0001743200000000, -0.0009116400000000 ] - [ -0.0025883900000000, 0.0000000000000000, -0.0081644600000000 ] - [ -0.0001328600000000, 0.0000000000000000, 0.0001142400000000 ] - [ -0.0015295100000000, 0.0000000000000000, -0.0017846600000000 ] - [ -0.0000550800000000, 0.0000000000000000, -0.0000848100000000 ] - [ 0.0060386400000000, 0.0000000000000000, 0.0025232000000000 ] - [ 0.0004183400000000, 0.0000000000000000, 0.0003885500000000 ] - [ 0.0003833100000000, 0.0000000000000000, -0.0010603400000000 ] - [ 0.0002278500000000, 0.0000000000000000, -0.0007382300000000 ] - [ 0.0033214600000000, -0.0005716400000000, 0.0016446200000000 ] - [ 0.0033214600000000, 0.0005716400000000, 0.0016446200000000 ] - [ 0.0001023500000000, 0.0001131100000000, -0.0004617600000000 ] - [ 0.0001023500000000, -0.0001131100000000, -0.0004617600000000 ] - [ -0.0159435400000000, -0.0003078600000000, -0.0067572400000000 ] - [ -0.0015004500000000, -0.0003272700000000, -0.0014887900000000 ] - [ -0.0000668100000000, -0.0000716900000000, 0.0010837400000000 ] - [ -0.0000701300000000, -0.0000686400000000, 0.0008331300000000 ] - [ -0.0159435400000000, 0.0003078600000000, -0.0067572400000000 ] - [ -0.0015004500000000, 0.0003272700000000, -0.0014887900000000 ] - [ -0.0000668100000000, 0.0000716900000000, 0.0010837400000000 ] - [ -0.0000701300000000, 0.0000686400000000, 0.0008331300000000 ] - [ 0.0020203500000000, -0.0021622300000000, 0.0023553000000000 ] - [ 0.0005769500000000, 0.0007631400000000, 0.0008032100000000 ] - [ 0.0037735700000000, 0.0031296700000000, 0.0023257100000000 ] - [ 0.0005192300000000, -0.0007663600000000, 0.0006634700000000 ] - [ 0.0020203500000000, 0.0021622300000000, 0.0023553000000000 ] - [ 0.0005769500000000, -0.0007631400000000, 0.0008032100000000 ] - [ 0.0037735700000000, -0.0031296700000000, 0.0023257100000000 ] - [ 0.0005192300000000, 0.0007663600000000, 0.0006634700000000 ] - [ -0.0014408500000000, -0.0007734700000000, -0.0000267900000000 ] - [ -0.0014408500000000, 0.0007734700000000, -0.0000267900000000 ] - [ -0.0008245600000000, -0.0005209900000000, 0.0013239900000000 ] - [ -0.0008245600000000, 0.0005209900000000, 0.0013239900000000 ] - [ -0.0001498500000000, 0.0000000000000000, -0.0035920100000000 ] - [ 0.0004264900000000, 0.0000000000000000, -0.0007599600000000 ] - [ -0.0013854600000000, 0.0000000000000000, 0.0017012000000000 ] - [ 0.0000419200000000, 0.0000000000000000, 0.0000205900000000 ] - [ 0.0919051800000000, 0.0000000000000000, -0.0892314700000000 ] - [ 0.0009945500000000, 0.0000000000000000, -0.0003783700000000 ] - [ 0.0004862100000000, 0.0000000000000000, 0.0017454100000000 ] - [ 0.0002985500000000, 0.0000000000000000, 0.0010274300000000 ] - [ 0.0064420100000000, 0.0097817700000000, -0.0024628100000000 ] - [ 0.0064420100000000, -0.0097817700000000, -0.0024628100000000 ] - [ -0.0002630600000000, -0.0001063500000000, 0.0005208700000000 ] - [ -0.0002630600000000, 0.0001063500000000, 0.0005208700000000 ] - [ 0.2019693200000000, 0.0000000000000000, -0.1366805000000000 ] - [ 0.0018122900000000, 0.0000000000000000, -0.0014436800000000 ] - [ 0.0005979700000000, 0.0000000000000000, 0.0012405900000000 ] - [ 0.0004767600000000, 0.0000000000000000, 0.0004148800000000 ] - [ 0.0049717400000000, -0.0101466500000000, 0.0004560000000000 ] - [ 0.0049717400000000, 0.0101466500000000, 0.0004560000000000 ] - [ -0.0004434800000000, 0.0001454400000000, 0.0012355700000000 ] - [ -0.0004434800000000, -0.0001454400000000, 0.0012355700000000 ] - [ -0.0006897100000000, 0.0001780800000000, -0.0016787300000000 ] - [ -0.0006897100000000, -0.0001780800000000, -0.0016787300000000 ] - [ -0.0011747700000000, 0.0009568300000000, 0.0007719000000000 ] - [ -0.0011747700000000, -0.0009568300000000, 0.0007719000000000 ] - [ -0.0032493600000000, 0.0000000000000000, -0.0068087500000000 ] - [ 0.0004976600000000, 0.0000000000000000, -0.0002991200000000 ] - [ -0.0007339100000000, 0.0000000000000000, 0.0020127300000000 ] - [ 0.0000972500000000, 0.0000000000000000, 0.0009698100000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0008015400000000, -0.0004521900000000, -0.0008210800000000 ] - [ 0.0002113900000000, -0.0003443300000000, -0.0001104900000000 ] - [ -0.0009299600000000, 0.0005668700000000, 0.0013251300000000 ] - [ -0.0003363800000000, -0.0007655200000000, 0.0004228300000000 ] - [ 0.0005857100000000, 0.0004120100000000, -0.0023862900000000 ] - [ 0.0004156500000000, -0.0002472100000000, -0.0002284900000000 ] - [ -0.0005068200000000, -0.0000154800000000, 0.0009442200000000 ] - [ -0.0000453000000000, -0.0006886200000000, 0.0003042400000000 ] - [ -0.0213728500000000, 0.0176945800000000, 0.0081600000000000 ] - [ 0.0004132000000000, -0.0007403500000000, -0.0005590800000000 ] - [ 0.0003611900000000, 0.0002807100000000, 0.0006381500000000 ] - [ 0.0002614400000000, 0.0004342200000000, 0.0004460500000000 ] - [ -0.0003475000000000, -0.0014543500000000, -0.0008823300000000 ] - [ -0.0108508500000000, 0.0128212300000000, 0.0055307400000000 ] - [ -0.0001070100000000, 0.0005109900000000, 0.0002546700000000 ] - [ -0.0000185400000000, 0.0003488800000000, 0.0003976300000000 ] - [ 0.0005857100000000, -0.0004120100000000, -0.0023862900000000 ] - [ 0.0004156500000000, 0.0002472100000000, -0.0002284900000000 ] - [ -0.0005068200000000, 0.0000154800000000, 0.0009442200000000 ] - [ -0.0000453000000000, 0.0006886200000000, 0.0003042400000000 ] - [ 0.0002113900000000, 0.0003443300000000, -0.0001104900000000 ] - [ 0.0008015400000000, 0.0004521900000000, -0.0008210800000000 ] - [ -0.0003363800000000, 0.0007655200000000, 0.0004228300000000 ] - [ -0.0009299600000000, -0.0005668700000000, 0.0013251300000000 ] - [ -0.0108508500000000, -0.0128212300000000, 0.0055307400000000 ] - [ -0.0003475000000000, 0.0014543500000000, -0.0008823300000000 ] - [ -0.0000185400000000, -0.0003488800000000, 0.0003976300000000 ] - [ -0.0001070100000000, -0.0005109900000000, 0.0002546700000000 ] - [ -0.0213728500000000, -0.0176945800000000, 0.0081600000000000 ] - [ 0.0004132000000000, 0.0007403500000000, -0.0005590800000000 ] - [ 0.0003611900000000, -0.0002807100000000, 0.0006381500000000 ] - [ 0.0002614400000000, -0.0004342200000000, 0.0004460500000000 ] - [ 0.3597390200000000, 0.0000000000000000, -0.2798927400000000 ] - [ 0.0007499800000000, 0.0000000000000000, -0.0005562100000000 ] - [ -0.0005419200000000, 0.0000000000000000, 0.0014173000000000 ] - [ -0.0004052800000000, 0.0000000000000000, 0.0009301500000000 ] - [ 0.0056424400000000, -0.0016011400000000, -0.0035148600000000 ] - [ 0.0056424400000000, 0.0016011400000000, -0.0035148600000000 ] - [ 0.0000470200000000, 0.0000170100000000, 0.0001127700000000 ] - [ 0.0000470200000000, -0.0000170100000000, 0.0001127700000000 ] - [ -0.0003344400000000, -0.0002483300000000, 0.0003987000000000 ] - [ -0.0003344400000000, 0.0002483300000000, 0.0003987000000000 ] - [ -0.0003339800000000, 0.0002057900000000, 0.0006591300000000 ] - [ -0.0003339800000000, -0.0002057900000000, 0.0006591300000000 ] - [ -0.0022618200000000, 0.0000000000000000, -0.0012782300000000 ] - [ -0.0003582000000000, 0.0000000000000000, -0.0005695600000000 ] - [ -0.0008514900000000, 0.0000000000000000, -0.0005632000000000 ] - [ -0.0003107100000000, 0.0000000000000000, -0.0003839300000000 ] - [ 0.0032504600000000, 0.0000000000000000, 0.0126591200000000 ] - [ 0.0001018300000000, 0.0000000000000000, -0.0004064200000000 ] - [ 0.0010207000000000, 0.0000000000000000, 0.0016315900000000 ] - [ 0.0001144300000000, 0.0000000000000000, 0.0002073500000000 ] - [ 0.0013320200000000, -0.0017099400000000, 0.0014324400000000 ] - [ 0.0013320200000000, 0.0017099400000000, 0.0014324400000000 ] - [ 0.0005392900000000, 0.0000737700000000, 0.0008129000000000 ] - [ 0.0005392900000000, -0.0000737700000000, 0.0008129000000000 ] - [ -0.0017462800000000, 0.0006511800000000, -0.0023292100000000 ] - [ -0.0017462800000000, -0.0006511800000000, -0.0023292100000000 ] - [ -0.0002337300000000, 0.0001689600000000, 0.0006170400000000 ] - [ -0.0002337300000000, -0.0001689600000000, 0.0006170400000000 ] - [ -0.0098773900000000, 0.0000000000000000, -0.0030172000000000 ] - [ -0.0002354700000000, 0.0000000000000000, -0.0005596600000000 ] - [ -0.0003827600000000, 0.0000000000000000, 0.0011368100000000 ] - [ -0.0002304800000000, 0.0000000000000000, 0.0008008900000000 ] - [ 0.0017247000000000, 0.0019920900000000, 0.0007468600000000 ] - [ 0.0017247000000000, -0.0019920900000000, 0.0007468600000000 ] - [ 0.0003118900000000, -0.0001764600000000, 0.0004488700000000 ] - [ 0.0003118900000000, 0.0001764600000000, 0.0004488700000000 ] - [ 0.0027247700000000, 0.0000000000000000, 0.0086887400000000 ] - [ 0.0003210500000000, 0.0000000000000000, 0.0003485500000000 ] - [ 0.0017114600000000, 0.0000000000000000, 0.0022404600000000 ] - [ 0.0002450000000000, 0.0000000000000000, 0.0005495700000000 ] - [ -0.0058517200000000, 0.0000000000000000, -0.0030149200000000 ] - [ -0.0002285400000000, 0.0000000000000000, -0.0008528600000000 ] - [ -0.0001926400000000, 0.0000000000000000, 0.0005994400000000 ] - [ -0.0000381300000000, 0.0000000000000000, 0.0002760900000000 ] - [ -0.0035239000000000, 0.0005905500000000, -0.0011762700000000 ] - [ -0.0035239000000000, -0.0005905500000000, -0.0011762700000000 ] - [ -0.0002935800000000, -0.0001139900000000, 0.0009244200000000 ] - [ -0.0002935800000000, 0.0001139900000000, 0.0009244200000000 ] - [ 0.0159477900000000, 0.0002784200000000, 0.0067758800000000 ] - [ 0.0015007200000000, 0.0003392300000000, 0.0014926200000000 ] - [ 0.0000663700000000, 0.0000720300000000, -0.0010843000000000 ] - [ 0.0000696700000000, 0.0000680100000000, -0.0008334100000000 ] - [ 0.0159477900000000, -0.0002784200000000, 0.0067758800000000 ] - [ 0.0015007200000000, -0.0003392300000000, 0.0014926200000000 ] - [ 0.0000663700000000, -0.0000720300000000, -0.0010843000000000 ] - [ 0.0000696700000000, -0.0000680100000000, -0.0008334100000000 ] - [ -0.0020276000000000, 0.0021842500000000, -0.0023696100000000 ] - [ -0.0005784900000000, -0.0007645300000000, -0.0008030400000000 ] - [ -0.0037580800000000, -0.0031019200000000, -0.0023060100000000 ] - [ -0.0005175300000000, 0.0007638500000000, -0.0006636500000000 ] - [ -0.0020276000000000, -0.0021842500000000, -0.0023696100000000 ] - [ -0.0005784900000000, 0.0007645300000000, -0.0008030400000000 ] - [ -0.0037580800000000, 0.0031019200000000, -0.0023060100000000 ] - [ -0.0005175300000000, -0.0007638500000000, -0.0006636500000000 ] - [ 0.0008302800000000, 0.0007700900000000, 0.0008021800000000 ] - [ 0.0008302800000000, -0.0007700900000000, 0.0008021800000000 ] - [ 0.0002070700000000, 0.0005233300000000, -0.0005333200000000 ] - [ 0.0002070700000000, -0.0005233300000000, -0.0005333200000000 ] - [ 0.0007424100000000, 0.0000000000000000, 0.0028268400000000 ] - [ 0.0001916600000000, 0.0000000000000000, -0.0000238200000000 ] - [ 0.0019875400000000, 0.0000000000000000, -0.0024855600000000 ] - [ 0.0005761100000000, 0.0000000000000000, -0.0008098600000000 ] - [ -0.0883230400000000, 0.0000000000000000, 0.0853781500000000 ] - [ -0.0003639400000000, 0.0000000000000000, 0.0011660600000000 ] - [ 0.0001371000000000, 0.0000000000000000, -0.0009538700000000 ] - [ 0.0003222100000000, 0.0000000000000000, -0.0002393600000000 ] - [ -0.0071393100000000, -0.0097927600000000, 0.0016936600000000 ] - [ -0.0071393100000000, 0.0097927600000000, 0.0016936600000000 ] - [ -0.0003588500000000, 0.0001079300000000, -0.0013099100000000 ] - [ -0.0003588500000000, -0.0001079300000000, -0.0013099100000000 ] - [ -0.2096893700000000, 0.0000000000000000, 0.1449594600000000 ] - [ -0.0009093400000000, 0.0000000000000000, 0.0007738700000000 ] - [ 0.0003165400000000, 0.0000000000000000, -0.0019170300000000 ] - [ 0.0004396200000000, 0.0000000000000000, -0.0010869800000000 ] - [ -0.0058105300000000, 0.0101090000000000, 0.0002001900000000 ] - [ -0.0058105300000000, -0.0101090000000000, 0.0002001900000000 ] - [ -0.0004731000000000, -0.0001439500000000, -0.0005637100000000 ] - [ -0.0004731000000000, 0.0001439500000000, -0.0005637100000000 ] - [ -0.0002431900000000, -0.0001736600000000, 0.0010206400000000 ] - [ -0.0002431900000000, 0.0001736600000000, 0.0010206400000000 ] - [ 0.0002489000000000, -0.0009532800000000, -0.0014496300000000 ] - [ 0.0002489000000000, 0.0009532800000000, -0.0014496300000000 ] - [ 0.0041934500000000, 0.0000000000000000, 0.0074166500000000 ] - [ 0.0004223900000000, 0.0000000000000000, 0.0009671100000000 ] - [ 0.0016621200000000, 0.0000000000000000, -0.0013414000000000 ] - [ 0.0008213600000000, 0.0000000000000000, -0.0002959000000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004753000000000, -0.0011955100000000, -0.0008948700000000 ] - [ -0.0001465100000000, 0.0005970000000000, 0.0006417500000000 ] - [ -0.0001179200000000, -0.0011266100000000, 0.0002367700000000 ] - [ -0.0000369300000000, 0.0001026700000000, -0.0002600700000000 ] - [ -0.0007068900000000, -0.0016023500000000, -0.0014027200000000 ] - [ 0.0003548900000000, 0.0007681300000000, 0.0002689200000000 ] - [ 0.0001263200000000, -0.0011315300000000, 0.0001119700000000 ] - [ 0.0003135300000000, 0.0002258100000000, -0.0003806200000000 ] - [ -0.0167072400000000, 0.0027343600000000, 0.0049091200000000 ] - [ 0.0004738400000000, 0.0030636900000000, -0.0002409200000000 ] - [ 0.0001637100000000, 0.0001628300000000, 0.0000337400000000 ] - [ 0.0001783600000000, 0.0006917700000000, 0.0001374000000000 ] - [ 0.0012711200000000, 0.0031384000000000, -0.0004668800000000 ] - [ -0.0074671300000000, 0.0022081600000000, 0.0034179600000000 ] - [ -0.0001137800000000, 0.0006653000000000, 0.0000097000000000 ] - [ -0.0002293800000000, 0.0001959700000000, -0.0002020100000000 ] - [ 0.0010506800000000, -0.0007542900000000, 0.0012326600000000 ] - [ -0.0000132900000000, 0.0016243300000000, -0.0004448700000000 ] - [ 0.0002138200000000, -0.0002833400000000, -0.0002880600000000 ] - [ 0.0000293800000000, 0.0010815700000000, 0.0001996200000000 ] - [ -0.0001994300000000, 0.0014491800000000, -0.0004660400000000 ] - [ 0.0001363500000000, -0.0003335000000000, 0.0010706600000000 ] - [ -0.0003048400000000, 0.0009557500000000, 0.0004410900000000 ] - [ -0.0002207500000000, -0.0002610200000000, -0.0000638600000000 ] - [ 0.0071868300000000, 0.0013553000000000, -0.0036261700000000 ] - [ -0.0015986200000000, 0.0022823800000000, 0.0002865200000000 ] - [ -0.0001144100000000, -0.0006604500000000, 0.0000226700000000 ] - [ -0.0002291800000000, -0.0001876800000000, -0.0001887500000000 ] - [ 0.0168862300000000, 0.0018737200000000, -0.0046923600000000 ] - [ -0.0001386600000000, 0.0022083500000000, 0.0004227000000000 ] - [ 0.0001779600000000, -0.0006905000000000, 0.0001449500000000 ] - [ 0.0001637000000000, -0.0001636500000000, 0.0000399600000000 ] - [ -0.0005005500000000, -0.0492722300000000, 0.0006921700000000 ] - [ -0.0002392900000000, 0.0028405200000000, 0.0004817800000000 ] - [ -0.0002376900000000, -0.0001681100000000, 0.0004780600000000 ] - [ -0.0002375300000000, 0.0001693300000000, 0.0004778100000000 ] - [ 0.0018115700000000, 0.0119599600000000, -0.0034998800000000 ] - [ -0.0013228100000000, 0.0117439700000000, 0.0024920400000000 ] - [ 0.0002203500000000, -0.0000014800000000, -0.0004112700000000 ] - [ 0.0002547400000000, -0.0000004500000000, -0.0005461200000000 ] - [ 0.0000320300000000, 0.0001047100000000, -0.0004268700000000 ] - [ 0.0004426900000000, 0.0001067100000000, 0.0013818700000000 ] - [ 0.0004870300000000, 0.0001044200000000, 0.0012472800000000 ] - [ -0.0000101500000000, 0.0001068500000000, -0.0002878000000000 ] - [ -0.0002349800000000, -0.0009831500000000, -0.0004778200000000 ] - [ -0.0002370000000000, 0.0005739800000000, -0.0004772100000000 ] - [ -0.0002386300000000, -0.0006212000000000, -0.0004786600000000 ] - [ -0.0002382700000000, 0.0005327300000000, -0.0004798500000000 ] - [ -0.0000397500000000, -0.0089045700000000, -0.0002627900000000 ] - [ -0.0000577900000000, 0.0013327700000000, -0.0002217000000000 ] - [ -0.0000553400000000, -0.0005163000000000, -0.0002212600000000 ] - [ -0.0000585800000000, 0.0005010600000000, -0.0002257100000000 ] - [ -0.0001539600000000, 0.0003904900000000, -0.0024778500000000 ] - [ 0.0002712700000000, 0.0003991300000000, 0.0029132000000000 ] - [ 0.0003057800000000, 0.0000443300000000, 0.0010090200000000 ] - [ -0.0001898700000000, 0.0000477700000000, -0.0005595700000000 ] - [ 0.0002762200000000, 0.0009288000000000, -0.0015143800000000 ] - [ -0.0001606900000000, 0.0009331100000000, 0.0010655100000000 ] - [ 0.0000751000000000, -0.0000257300000000, 0.0000101400000000 ] - [ 0.0000411100000000, -0.0000232400000000, -0.0004608500000000 ] - [ -0.0000604300000000, -0.0038722600000000, 0.0002238200000000 ] - [ -0.0000580900000000, 0.0016468400000000, 0.0002270200000000 ] - [ -0.0000581300000000, -0.0002770000000000, 0.0002240100000000 ] - [ -0.0000574700000000, 0.0002896200000000, 0.0002233500000000 ] - [ 0.0002656500000000, 0.0010820900000000, 0.0023163700000000 ] - [ -0.0004586600000000, 0.0010876800000000, -0.0027649900000000 ] - [ -0.0002714200000000, 0.0000270400000000, -0.0009605600000000 ] - [ 0.0000809800000000, 0.0000298400000000, 0.0004965700000000 ] - [ 0.0000905200000000, -0.0051632600000000, 0.0002512600000000 ] - [ 0.0000940700000000, 0.0015959900000000, 0.0002271700000000 ] - [ 0.0000895700000000, -0.0005836800000000, 0.0002238800000000 ] - [ 0.0000950500000000, 0.0005502000000000, 0.0002320600000000 ] - [ 0.0000985000000000, -0.0037477600000000, -0.0002295500000000 ] - [ 0.0000951400000000, 0.0017923200000000, -0.0002311600000000 ] - [ 0.0000950300000000, -0.0003014600000000, -0.0002316100000000 ] - [ 0.0000946100000000, 0.0003185200000000, -0.0002307200000000 ] - [ -0.0008592800000000, 0.0014474200000000, 0.0011255500000000 ] - [ 0.0006724100000000, 0.0014509800000000, -0.0006613300000000 ] - [ -0.0000996200000000, -0.0000056900000000, 0.0000680800000000 ] - [ -0.0000903500000000, -0.0000039800000000, 0.0003919200000000 ] - [ 0.0015487000000000, 0.0029656500000000, 0.0013988200000000 ] - [ 0.0003281000000000, -0.0028515300000000, 0.0000863300000000 ] - [ -0.0000133900000000, 0.0003389700000000, -0.0000281900000000 ] - [ 0.0000089800000000, -0.0003404000000000, 0.0000285400000000 ] - [ -0.0015568200000000, 0.0029569100000000, -0.0014022800000000 ] - [ -0.0003299900000000, -0.0028479400000000, -0.0000890600000000 ] - [ 0.0000130800000000, 0.0003373200000000, 0.0000296800000000 ] - [ -0.0000093100000000, -0.0003383500000000, -0.0000272500000000 ] - [ -0.0002143000000000, 0.0016582200000000, 0.0015302300000000 ] - [ -0.0001114500000000, -0.0015827400000000, -0.0010459800000000 ] - [ 0.0005104100000000, 0.0018026900000000, -0.0019563100000000 ] - [ 0.0002170400000000, -0.0016941600000000, 0.0009767200000000 ] - [ 0.0002080400000000, 0.0016348000000000, -0.0015338700000000 ] - [ 0.0001122500000000, -0.0015811200000000, 0.0010539900000000 ] - [ -0.0004940100000000, 0.0017658100000000, 0.0019638600000000 ] - [ -0.0002180700000000, -0.0016924400000000, -0.0009833200000000 ] - [ -0.0004116000000000, -0.0006846900000000, -0.0015020900000000 ] - [ -0.0002134500000000, -0.0006887900000000, 0.0022832400000000 ] - [ -0.0002473200000000, 0.0000089300000000, 0.0013179400000000 ] - [ -0.0003741700000000, 0.0000045300000000, -0.0005268800000000 ] - [ 0.0003089800000000, 0.0026179200000000, -0.0003952700000000 ] - [ 0.0003112600000000, -0.0017973900000000, -0.0003913200000000 ] - [ 0.0003045300000000, 0.0007895600000000, -0.0003877900000000 ] - [ 0.0003100200000000, -0.0008600400000000, -0.0003948500000000 ] - [ 0.0000043200000000, 0.0129992600000000, 0.0007442600000000 ] - [ 0.0003063900000000, -0.0045663000000000, 0.0003974000000000 ] - [ 0.0003117500000000, 0.0004451500000000, 0.0003970600000000 ] - [ 0.0003102800000000, -0.0004197200000000, 0.0003941600000000 ] - [ 0.0029327500000000, -0.0077295100000000, -0.0046793000000000 ] - [ -0.0035045000000000, -0.0077143700000000, 0.0038651900000000 ] - [ -0.0001789200000000, -0.0000026700000000, -0.0000968900000000 ] - [ -0.0004424200000000, -0.0000052400000000, -0.0006898100000000 ] - [ 0.0011046400000000, 0.0304250900000000, -0.0008481500000000 ] - [ 0.0004627500000000, -0.0040618300000000, -0.0003420300000000 ] - [ 0.0004574700000000, 0.0004878000000000, -0.0003368100000000 ] - [ 0.0004585100000000, -0.0004715300000000, -0.0003345600000000 ] - [ -0.0051320600000000, -0.0045339000000000, 0.0065042300000000 ] - [ 0.0041697700000000, -0.0045583400000000, -0.0058035100000000 ] - [ -0.0006246000000000, -0.0000112400000000, -0.0001420100000000 ] - [ -0.0002922900000000, -0.0000143800000000, 0.0008145600000000 ] - [ -0.0003471500000000, -0.0005138600000000, 0.0018259500000000 ] - [ -0.0005674200000000, -0.0005212700000000, -0.0024925800000000 ] - [ -0.0006463300000000, 0.0000693000000000, -0.0012575900000000 ] - [ -0.0002740600000000, 0.0000609600000000, 0.0005841200000000 ] - [ 0.0004574800000000, 0.0041555900000000, 0.0003355500000000 ] - [ 0.0004580300000000, -0.0020533100000000, 0.0003326300000000 ] - [ 0.0004603300000000, 0.0009038600000000, 0.0003346500000000 ] - [ 0.0004582600000000, -0.0009531500000000, 0.0003381700000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0021480400000000, -0.0026560200000000, 0.0006100900000000 ] - [ 0.0001667300000000, 0.0004005700000000, -0.0000630000000000 ] - [ -0.0020738700000000, 0.0026594800000000, 0.0029489200000000 ] - [ -0.0004332900000000, -0.0013668800000000, 0.0006502000000000 ] - [ 0.0032125800000000, -0.0025787900000000, 0.0003767600000000 ] - [ 0.0006418100000000, 0.0003744600000000, -0.0005913900000000 ] - [ -0.0013858900000000, 0.0010341700000000, 0.0023664800000000 ] - [ -0.0001642300000000, -0.0009786400000000, 0.0006545400000000 ] - [ -0.0121015700000000, 0.0074232700000000, -0.0052727900000000 ] - [ 0.0002081200000000, -0.0001863100000000, -0.0012448300000000 ] - [ 0.0006439700000000, 0.0000485200000000, 0.0015826900000000 ] - [ 0.0003835000000000, 0.0004495000000000, 0.0009741800000000 ] - [ -0.0007144200000000, -0.0011722500000000, -0.0012045100000000 ] - [ -0.0085051200000000, 0.0081151000000000, -0.0008250000000000 ] - [ 0.0000543700000000, 0.0007379800000000, 0.0007851500000000 ] - [ 0.0002738700000000, 0.0001151200000000, 0.0013247000000000 ] - [ 0.0032125800000000, 0.0025787900000000, 0.0003767600000000 ] - [ 0.0006418100000000, -0.0003744600000000, -0.0005913900000000 ] - [ -0.0013858900000000, -0.0010341700000000, 0.0023664800000000 ] - [ -0.0001642300000000, 0.0009786400000000, 0.0006545400000000 ] - [ 0.0001667300000000, -0.0004005700000000, -0.0000630000000000 ] - [ 0.0021480400000000, 0.0026560200000000, 0.0006100900000000 ] - [ -0.0004332900000000, 0.0013668800000000, 0.0006502000000000 ] - [ -0.0020738700000000, -0.0026594800000000, 0.0029489200000000 ] - [ -0.0085051200000000, -0.0081151000000000, -0.0008250000000000 ] - [ -0.0007144200000000, 0.0011722500000000, -0.0012045100000000 ] - [ 0.0002738700000000, -0.0001151200000000, 0.0013247000000000 ] - [ 0.0000543700000000, -0.0007379800000000, 0.0007851500000000 ] - [ -0.0121015700000000, -0.0074232700000000, -0.0052727900000000 ] - [ 0.0002081200000000, 0.0001863100000000, -0.0012448300000000 ] - [ 0.0006439700000000, -0.0000485200000000, 0.0015826900000000 ] - [ 0.0003835000000000, -0.0004495000000000, 0.0009741800000000 ] - [ 0.2787065300000000, 0.0000000000000000, -0.2854903100000000 ] - [ 0.0007954300000000, 0.0000000000000000, -0.0011441400000000 ] - [ -0.0011752100000000, 0.0000000000000000, 0.0031469200000000 ] - [ -0.0006887800000000, 0.0000000000000000, 0.0015801200000000 ] - [ 0.0032705600000000, -0.0030211100000000, -0.0060788400000000 ] - [ 0.0032705600000000, 0.0030211100000000, -0.0060788400000000 ] - [ -0.0003529000000000, 0.0000684500000000, 0.0011521700000000 ] - [ -0.0003529000000000, -0.0000684500000000, 0.0011521700000000 ] - [ 0.0004149300000000, -0.0007651500000000, 0.0008107700000000 ] - [ 0.0004149300000000, 0.0007651500000000, 0.0008107700000000 ] - [ 0.0001583800000000, 0.0009053100000000, 0.0008031500000000 ] - [ 0.0001583800000000, -0.0009053100000000, 0.0008031500000000 ] - [ -0.0010525900000000, 0.0000000000000000, -0.0003172800000000 ] - [ -0.0003308100000000, 0.0000000000000000, -0.0008051900000000 ] - [ -0.0003152300000000, 0.0000000000000000, 0.0005134600000000 ] - [ -0.0001411300000000, 0.0000000000000000, -0.0000687200000000 ] - [ -0.0114577100000000, 0.0000000000000000, 0.0351523100000000 ] - [ -0.0002000500000000, 0.0000000000000000, -0.0012016200000000 ] - [ 0.0020670000000000, 0.0000000000000000, 0.0045505800000000 ] - [ 0.0002039200000000, 0.0000000000000000, 0.0008107700000000 ] - [ 0.0004237500000000, -0.0026304900000000, 0.0006627600000000 ] - [ 0.0004237500000000, 0.0026304900000000, 0.0006627600000000 ] - [ 0.0005749600000000, 0.0009953100000000, 0.0018434700000000 ] - [ 0.0005749600000000, -0.0009953100000000, 0.0018434700000000 ] - [ -0.0004652600000000, -0.0004273500000000, -0.0029187800000000 ] - [ -0.0004652600000000, 0.0004273500000000, -0.0029187800000000 ] - [ -0.0005972100000000, 0.0004885000000000, 0.0017764300000000 ] - [ -0.0005972100000000, -0.0004885000000000, 0.0017764300000000 ] - [ -0.0003224500000000, 0.0000000000000000, -0.0045932100000000 ] - [ 0.0001183800000000, 0.0000000000000000, -0.0014441900000000 ] - [ -0.0007289500000000, 0.0000000000000000, 0.0027226100000000 ] - [ -0.0003841900000000, 0.0000000000000000, 0.0015820200000000 ] - [ 0.0002621200000000, 0.0037915200000000, -0.0003927700000000 ] - [ 0.0002621200000000, -0.0037915200000000, -0.0003927700000000 ] - [ 0.0003217600000000, -0.0008082500000000, 0.0013768200000000 ] - [ 0.0003217600000000, 0.0008082500000000, 0.0013768200000000 ] - [ -0.0029321200000000, 0.0000000000000000, 0.0208780400000000 ] - [ 0.0001605800000000, 0.0000000000000000, 0.0002096400000000 ] - [ 0.0028326800000000, 0.0000000000000000, 0.0055423200000000 ] - [ 0.0002933900000000, 0.0000000000000000, 0.0007443000000000 ] - [ 0.0000576200000000, 0.0000000000000000, -0.0041731500000000 ] - [ 0.0000361300000000, 0.0000000000000000, -0.0014163000000000 ] - [ -0.0004685400000000, 0.0000000000000000, 0.0020651700000000 ] - [ -0.0001555000000000, 0.0000000000000000, 0.0008940100000000 ] - [ -0.0012096300000000, 0.0010599900000000, -0.0025791000000000 ] - [ -0.0012096300000000, -0.0010599900000000, -0.0025791000000000 ] - [ -0.0005083300000000, -0.0003004700000000, 0.0020037700000000 ] - [ -0.0005083300000000, 0.0003004700000000, 0.0020037700000000 ] - [ 0.0073207500000000, -0.0003184200000000, 0.0090948400000000 ] - [ 0.0007219100000000, 0.0000209500000000, 0.0028681000000000 ] - [ -0.0000142000000000, 0.0001049400000000, -0.0028726800000000 ] - [ 0.0000790200000000, 0.0001805600000000, -0.0020137500000000 ] - [ 0.0073207500000000, 0.0003184200000000, 0.0090948400000000 ] - [ 0.0007219100000000, -0.0000209500000000, 0.0028681000000000 ] - [ -0.0000142000000000, -0.0001049400000000, -0.0028726800000000 ] - [ 0.0000790200000000, -0.0001805600000000, -0.0020137500000000 ] - [ -0.0022778400000000, 0.0063568100000000, -0.0060080300000000 ] - [ -0.0004180500000000, -0.0013589300000000, -0.0012204000000000 ] - [ -0.0041252900000000, -0.0091273100000000, -0.0071372600000000 ] - [ -0.0005306100000000, 0.0017463900000000, -0.0006109200000000 ] - [ -0.0022778400000000, -0.0063568100000000, -0.0060080300000000 ] - [ -0.0004180500000000, 0.0013589300000000, -0.0012204000000000 ] - [ -0.0041252900000000, 0.0091273100000000, -0.0071372600000000 ] - [ -0.0005306100000000, -0.0017463900000000, -0.0006109200000000 ] - [ -0.0013091100000000, -0.0025576100000000, 0.0017948800000000 ] - [ -0.0013091100000000, 0.0025576100000000, 0.0017948800000000 ] - [ 0.0004363800000000, 0.0013221100000000, -0.0015135300000000 ] - [ 0.0004363800000000, -0.0013221100000000, -0.0015135300000000 ] - [ -0.0032921500000000, 0.0000000000000000, -0.0012289100000000 ] - [ -0.0001510000000000, 0.0000000000000000, 0.0000611300000000 ] - [ 0.0038534700000000, 0.0000000000000000, -0.0057443700000000 ] - [ 0.0008385000000000, 0.0000000000000000, -0.0010948300000000 ] - [ -0.0808302200000000, 0.0000000000000000, 0.1038174400000000 ] - [ -0.0001203400000000, 0.0000000000000000, 0.0018205600000000 ] - [ -0.0001640200000000, 0.0000000000000000, -0.0037764600000000 ] - [ 0.0003914500000000, 0.0000000000000000, -0.0010787800000000 ] - [ -0.0022792800000000, -0.0070950200000000, 0.0052368300000000 ] - [ -0.0022792800000000, 0.0070950200000000, 0.0052368300000000 ] - [ -0.0003538400000000, 0.0003144500000000, -0.0028459000000000 ] - [ -0.0003538400000000, -0.0003144500000000, -0.0028459000000000 ] - [ -0.1421451100000000, 0.0000000000000000, 0.1434885900000000 ] - [ -0.0003729500000000, 0.0000000000000000, 0.0023319000000000 ] - [ 0.0001655700000000, 0.0000000000000000, -0.0048869400000000 ] - [ 0.0004499000000000, 0.0000000000000000, -0.0022064200000000 ] - [ -0.0020137300000000, 0.0080906300000000, 0.0022010500000000 ] - [ -0.0020137300000000, -0.0080906300000000, 0.0022010500000000 ] - [ -0.0005446000000000, -0.0006070100000000, -0.0023352700000000 ] - [ -0.0005446000000000, 0.0006070100000000, -0.0023352700000000 ] - [ -0.0018845900000000, 0.0026129800000000, 0.0009955400000000 ] - [ -0.0018845900000000, -0.0026129800000000, 0.0009955400000000 ] - [ 0.0009804800000000, -0.0024021100000000, -0.0023625400000000 ] - [ 0.0009804800000000, 0.0024021100000000, -0.0023625400000000 ] - [ -0.0039477100000000, 0.0000000000000000, 0.0023978100000000 ] - [ -0.0001326600000000, 0.0000000000000000, 0.0019830800000000 ] - [ 0.0026703800000000, 0.0000000000000000, -0.0040404800000000 ] - [ 0.0009982500000000, 0.0000000000000000, -0.0011875300000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0025067200000000, 0.0018151300000000, -0.0004264800000000 ] - [ -0.0005125900000000, -0.0012582500000000, 0.0002483200000000 ] - [ 0.0017187700000000, -0.0034914000000000, -0.0027590900000000 ] - [ 0.0000931300000000, 0.0005070400000000, -0.0004755500000000 ] - [ -0.0028522400000000, 0.0017170900000000, -0.0005617900000000 ] - [ -0.0002996400000000, -0.0012294900000000, 0.0004074300000000 ] - [ 0.0017401900000000, -0.0019029100000000, -0.0025571200000000 ] - [ 0.0005069000000000, 0.0001270400000000, -0.0008316600000000 ] - [ 0.0124980900000000, -0.0066313600000000, 0.0053385600000000 ] - [ 0.0001340500000000, 0.0010477100000000, 0.0014216000000000 ] - [ -0.0003056000000000, 0.0008108100000000, -0.0014071800000000 ] - [ -0.0000408000000000, 0.0004030400000000, -0.0007960700000000 ] - [ 0.0003657600000000, 0.0020273700000000, 0.0010339700000000 ] - [ 0.0082224400000000, -0.0072951100000000, 0.0006880100000000 ] - [ -0.0003978200000000, 0.0001183500000000, -0.0009661100000000 ] - [ -0.0006163000000000, 0.0007353900000000, -0.0015041500000000 ] - [ -0.0028522400000000, -0.0017170900000000, -0.0005617900000000 ] - [ -0.0002996400000000, 0.0012294900000000, 0.0004074300000000 ] - [ 0.0017401900000000, 0.0019029100000000, -0.0025571200000000 ] - [ 0.0005069000000000, -0.0001270400000000, -0.0008316600000000 ] - [ -0.0005125900000000, 0.0012582500000000, 0.0002483200000000 ] - [ -0.0025067200000000, -0.0018151300000000, -0.0004264800000000 ] - [ 0.0000931300000000, -0.0005070400000000, -0.0004755500000000 ] - [ 0.0017187700000000, 0.0034914000000000, -0.0027590900000000 ] - [ 0.0082224400000000, 0.0072951100000000, 0.0006880100000000 ] - [ 0.0003657600000000, -0.0020273700000000, 0.0010339700000000 ] - [ -0.0006163000000000, -0.0007353900000000, -0.0015041500000000 ] - [ -0.0003978200000000, -0.0001183500000000, -0.0009661100000000 ] - [ 0.0124980900000000, 0.0066313600000000, 0.0053385600000000 ] - [ 0.0001340500000000, -0.0010477100000000, 0.0014216000000000 ] - [ -0.0003056000000000, -0.0008108100000000, -0.0014071800000000 ] - [ -0.0000408000000000, -0.0004030400000000, -0.0007960700000000 ] - [ -0.2774091700000000, 0.0000000000000000, 0.2867750400000000 ] - [ -0.0012709300000000, 0.0000000000000000, 0.0020995800000000 ] - [ 0.0007010700000000, 0.0000000000000000, -0.0021934100000000 ] - [ 0.0002143700000000, 0.0000000000000000, -0.0006249200000000 ] - [ -0.0028221300000000, 0.0029691700000000, 0.0051749500000000 ] - [ -0.0028221300000000, -0.0029691700000000, 0.0051749500000000 ] - [ 0.0008286500000000, -0.0000663200000000, -0.0021109800000000 ] - [ 0.0008286500000000, 0.0000663200000000, -0.0021109800000000 ] - [ 0.0000614900000000, 0.0007698200000000, 0.0001532200000000 ] - [ 0.0000614900000000, -0.0007698200000000, 0.0001532200000000 ] - [ 0.0003119800000000, -0.0009036000000000, 0.0001448500000000 ] - [ 0.0003119800000000, 0.0009036000000000, 0.0001448500000000 ] - [ 0.0005661300000000, 0.0000000000000000, -0.0006552700000000 ] - [ -0.0001467300000000, 0.0000000000000000, -0.0001577100000000 ] - [ -0.0001541200000000, 0.0000000000000000, -0.0014641100000000 ] - [ -0.0003318800000000, 0.0000000000000000, -0.0008836700000000 ] - [ 0.0110807800000000, 0.0000000000000000, -0.0349486600000000 ] - [ 0.0000822700000000, 0.0000000000000000, 0.0007439500000000 ] - [ -0.0021981800000000, 0.0000000000000000, -0.0050208900000000 ] - [ -0.0003194000000000, 0.0000000000000000, -0.0012549800000000 ] - [ -0.0003064200000000, 0.0026488700000000, -0.0001987300000000 ] - [ -0.0003064200000000, -0.0026488700000000, -0.0001987300000000 ] - [ -0.0004595100000000, -0.0009914000000000, -0.0014023900000000 ] - [ -0.0004595100000000, 0.0009914000000000, -0.0014023900000000 ] - [ 0.0005817400000000, 0.0004261900000000, 0.0024874100000000 ] - [ 0.0005817400000000, -0.0004261900000000, 0.0024874100000000 ] - [ 0.0007104200000000, -0.0004845800000000, -0.0022281500000000 ] - [ 0.0007104200000000, 0.0004845800000000, -0.0022281500000000 ] - [ 0.0002040600000000, 0.0000000000000000, 0.0050284200000000 ] - [ -0.0002327000000000, 0.0000000000000000, 0.0018922200000000 ] - [ 0.0006153200000000, 0.0000000000000000, -0.0022782300000000 ] - [ 0.0002694400000000, 0.0000000000000000, -0.0011333700000000 ] - [ -0.0004587300000000, -0.0037842600000000, -0.0000860300000000 ] - [ -0.0004587300000000, 0.0037842600000000, -0.0000860300000000 ] - [ -0.0005122100000000, 0.0008147200000000, -0.0018366000000000 ] - [ -0.0005122100000000, -0.0008147200000000, -0.0018366000000000 ] - [ 0.0031964000000000, 0.0000000000000000, -0.0207227500000000 ] - [ 0.0000293800000000, 0.0000000000000000, 0.0002593500000000 ] - [ -0.0026261800000000, 0.0000000000000000, -0.0050675000000000 ] - [ -0.0001044000000000, 0.0000000000000000, -0.0002891000000000 ] - [ 0.0001416500000000, 0.0000000000000000, 0.0037421100000000 ] - [ 0.0001514500000000, 0.0000000000000000, 0.0009626000000000 ] - [ 0.0006560500000000, 0.0000000000000000, -0.0025285300000000 ] - [ 0.0003450800000000, 0.0000000000000000, -0.0013589000000000 ] - [ 0.0010322900000000, -0.0010691300000000, 0.0030411000000000 ] - [ 0.0010322900000000, 0.0010691300000000, 0.0030411000000000 ] - [ 0.0003199400000000, 0.0003044500000000, -0.0015449300000000 ] - [ 0.0003199400000000, -0.0003044500000000, -0.0015449300000000 ] - [ -0.0073627200000000, 0.0003330600000000, -0.0091349500000000 ] - [ -0.0007234200000000, -0.0000258700000000, -0.0028751300000000 ] - [ 0.0000145500000000, -0.0001078700000000, 0.0028764300000000 ] - [ -0.0000791700000000, -0.0001773300000000, 0.0020162700000000 ] - [ -0.0073627200000000, -0.0003330600000000, -0.0091349500000000 ] - [ -0.0007234200000000, 0.0000258700000000, -0.0028751300000000 ] - [ 0.0000145500000000, 0.0001078700000000, 0.0028764300000000 ] - [ -0.0000791700000000, 0.0001773300000000, 0.0020162700000000 ] - [ 0.0022943900000000, -0.0064077300000000, 0.0060366000000000 ] - [ 0.0004194500000000, 0.0013660400000000, 0.0012137500000000 ] - [ 0.0040957200000000, 0.0090750200000000, 0.0071255300000000 ] - [ 0.0005295900000000, -0.0017441700000000, 0.0006214700000000 ] - [ 0.0022943900000000, 0.0064077300000000, 0.0060366000000000 ] - [ 0.0004194500000000, -0.0013660400000000, 0.0012137500000000 ] - [ 0.0040957200000000, -0.0090750200000000, 0.0071255300000000 ] - [ 0.0005295900000000, 0.0017441700000000, 0.0006214700000000 ] - [ 0.0006837400000000, 0.0025563800000000, -0.0009893700000000 ] - [ 0.0006837400000000, -0.0025563800000000, -0.0009893700000000 ] - [ -0.0010632600000000, -0.0013322700000000, 0.0022983300000000 ] - [ -0.0010632600000000, 0.0013322700000000, 0.0022983300000000 ] - [ 0.0039404200000000, 0.0000000000000000, 0.0004195900000000 ] - [ 0.0007735100000000, 0.0000000000000000, -0.0008590300000000 ] - [ -0.0032011100000000, 0.0000000000000000, 0.0049440200000000 ] - [ -0.0002162000000000, 0.0000000000000000, 0.0003154700000000 ] - [ 0.0863172300000000, 0.0000000000000000, -0.1066423300000000 ] - [ 0.0007449300000000, 0.0000000000000000, -0.0010441000000000 ] - [ 0.0007812600000000, 0.0000000000000000, 0.0045649200000000 ] - [ 0.0002308100000000, 0.0000000000000000, 0.0018724500000000 ] - [ 0.0016720600000000, 0.0071407600000000, -0.0059956100000000 ] - [ 0.0016720600000000, -0.0071407600000000, -0.0059956100000000 ] - [ -0.0002677200000000, -0.0003191500000000, 0.0020591900000000 ] - [ -0.0002677200000000, 0.0003191500000000, 0.0020591900000000 ] - [ 0.1364611600000000, 0.0000000000000000, -0.1411438900000000 ] - [ 0.0012924100000000, 0.0000000000000000, -0.0029929800000000 ] - [ 0.0007559100000000, 0.0000000000000000, 0.0042264000000000 ] - [ 0.0004649600000000, 0.0000000000000000, 0.0015333900000000 ] - [ 0.0011151900000000, -0.0081302300000000, -0.0015809800000000 ] - [ 0.0011151900000000, 0.0081302300000000, -0.0015809800000000 ] - [ -0.0003722800000000, 0.0006020400000000, 0.0030132500000000 ] - [ -0.0003722800000000, -0.0006020400000000, 0.0030132500000000 ] - [ 0.0009748600000000, -0.0026259500000000, -0.0016907900000000 ] - [ 0.0009748600000000, 0.0026259500000000, -0.0016907900000000 ] - [ -0.0018892600000000, 0.0023901500000000, 0.0017014300000000 ] - [ -0.0018892600000000, -0.0023901500000000, 0.0017014300000000 ] - [ 0.0048500400000000, 0.0000000000000000, -0.0016799600000000 ] - [ 0.0010499200000000, 0.0000000000000000, -0.0013021000000000 ] - [ -0.0017742900000000, 0.0000000000000000, 0.0047270400000000 ] - [ -0.0000844500000000, 0.0000000000000000, 0.0018561800000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0005578300000000, -0.0003519300000000, 0.0006057300000000 ] - [ -0.0004041800000000, -0.0002710900000000, 0.0004351500000000 ] - [ 0.0000705600000000, -0.0059666300000000, -0.0061487200000000 ] - [ -0.0002375500000000, -0.0000935900000000, 0.0001650500000000 ] - [ 0.0161203400000000, -0.0091686800000000, -0.0003218800000000 ] - [ 0.0003581700000000, 0.0001725400000000, -0.0004737500000000 ] - [ 0.0002586500000000, -0.0005344500000000, 0.0001356100000000 ] - [ 0.0001661000000000, -0.0004184800000000, 0.0001198200000000 ] - [ 0.0064842000000000, -0.0111036200000000, 0.0149144800000000 ] - [ -0.0000657300000000, 0.0011592600000000, -0.0002815300000000 ] - [ -0.0000980700000000, 0.0005839800000000, 0.0002133500000000 ] - [ 0.0001307700000000, 0.0003786800000000, 0.0002162400000000 ] - [ -0.0001204400000000, 0.0003151400000000, -0.0000486800000000 ] - [ 0.0003456900000000, 0.0002140200000000, -0.0001504500000000 ] - [ 0.0001260500000000, 0.0008041300000000, 0.0001649400000000 ] - [ 0.0010509800000000, -0.0007056000000000, 0.0010471900000000 ] - [ 0.0161203400000000, 0.0091686800000000, -0.0003218800000000 ] - [ 0.0003581700000000, -0.0001725400000000, -0.0004737500000000 ] - [ 0.0002586500000000, 0.0005344500000000, 0.0001356100000000 ] - [ 0.0001661000000000, 0.0004184800000000, 0.0001198200000000 ] - [ -0.0004041800000000, 0.0002710900000000, 0.0004351500000000 ] - [ -0.0005578300000000, 0.0003519300000000, 0.0006057300000000 ] - [ -0.0002375500000000, 0.0000935900000000, 0.0001650500000000 ] - [ 0.0000705600000000, 0.0059666300000000, -0.0061487200000000 ] - [ 0.0003456900000000, -0.0002140200000000, -0.0001504500000000 ] - [ -0.0001204400000000, -0.0003151400000000, -0.0000486800000000 ] - [ 0.0010509800000000, 0.0007056000000000, 0.0010471900000000 ] - [ 0.0001260500000000, -0.0008041300000000, 0.0001649400000000 ] - [ 0.0064842000000000, 0.0111036200000000, 0.0149144800000000 ] - [ -0.0000657300000000, -0.0011592600000000, -0.0002815300000000 ] - [ -0.0000980700000000, -0.0005839800000000, 0.0002133500000000 ] - [ 0.0001307700000000, -0.0003786800000000, 0.0002162400000000 ] - [ -0.0035177900000000, 0.0000000000000000, -0.0107561300000000 ] - [ -0.0003968300000000, 0.0000000000000000, 0.0003379200000000 ] - [ -0.0013146700000000, 0.0000000000000000, 0.0026131900000000 ] - [ -0.0004104200000000, 0.0000000000000000, 0.0007401700000000 ] - [ -0.0010412400000000, -0.0002145400000000, -0.0001127900000000 ] - [ -0.0010412400000000, 0.0002145400000000, -0.0001127900000000 ] - [ -0.0002446800000000, 0.0002479700000000, 0.0000390900000000 ] - [ -0.0002446800000000, -0.0002479700000000, 0.0000390900000000 ] - [ 0.0005297900000000, 0.0000168300000000, 0.0011324800000000 ] - [ 0.0005297900000000, -0.0000168300000000, 0.0011324800000000 ] - [ 0.0020534900000000, 0.0002230500000000, 0.0010083100000000 ] - [ 0.0020534900000000, -0.0002230500000000, 0.0010083100000000 ] - [ 0.0095777300000000, 0.0000000000000000, -0.0001990700000000 ] - [ -0.0000604500000000, 0.0000000000000000, -0.0006544200000000 ] - [ 0.0000859600000000, 0.0000000000000000, 0.0001938800000000 ] - [ -0.0000651600000000, 0.0000000000000000, -0.0001515600000000 ] - [ -0.1206049400000000, 0.0000000000000000, -0.1059128300000000 ] - [ -0.0004106700000000, 0.0000000000000000, -0.0007707300000000 ] - [ -0.0002056700000000, 0.0000000000000000, 0.0004472000000000 ] - [ -0.0000357800000000, 0.0000000000000000, 0.0001435400000000 ] - [ 0.0000462100000000, 0.0000827100000000, 0.0005305300000000 ] - [ 0.0000462100000000, -0.0000827100000000, 0.0005305300000000 ] - [ -0.0004764100000000, 0.0017015400000000, 0.0007349400000000 ] - [ -0.0004764100000000, -0.0017015400000000, 0.0007349400000000 ] - [ 0.0007611000000000, -0.0013087800000000, 0.0013101300000000 ] - [ 0.0007611000000000, 0.0013087800000000, 0.0013101300000000 ] - [ 0.0007629500000000, -0.0003626700000000, -0.0007274000000000 ] - [ 0.0007629500000000, 0.0003626700000000, -0.0007274000000000 ] - [ 0.0037707000000000, 0.0000000000000000, -0.0021266800000000 ] - [ 0.0002586900000000, 0.0000000000000000, -0.0003004200000000 ] - [ 0.0001100100000000, 0.0000000000000000, 0.0007083500000000 ] - [ -0.0000556500000000, 0.0000000000000000, 0.0005467400000000 ] - [ -0.0029799600000000, 0.0004576200000000, -0.0017976100000000 ] - [ -0.0029799600000000, -0.0004576200000000, -0.0017976100000000 ] - [ -0.0001069500000000, 0.0000643200000000, 0.0001954200000000 ] - [ -0.0001069500000000, -0.0000643200000000, 0.0001954200000000 ] - [ 0.0002252100000000, 0.0000000000000000, -0.0002563700000000 ] - [ 0.0000870800000000, 0.0000000000000000, 0.0004452400000000 ] - [ 0.0081515500000000, 0.0000000000000000, 0.0257964800000000 ] - [ -0.0001024500000000, 0.0000000000000000, 0.0000551100000000 ] - [ 0.0011829900000000, 0.0000000000000000, 0.0013464600000000 ] - [ 0.0001838000000000, 0.0000000000000000, -0.0002360500000000 ] - [ 0.0006916800000000, 0.0000000000000000, -0.0009238800000000 ] - [ 0.0002035400000000, 0.0000000000000000, -0.0002242500000000 ] - [ 0.0019655500000000, -0.0000072400000000, -0.0013345300000000 ] - [ 0.0019655500000000, 0.0000072400000000, -0.0013345300000000 ] - [ 0.0000436100000000, 0.0001839900000000, 0.0005925500000000 ] - [ 0.0000436100000000, -0.0001839900000000, 0.0005925500000000 ] - [ -0.0063023500000000, 0.0001963900000000, -0.0012832300000000 ] - [ -0.0006457100000000, -0.0005819500000000, 0.0005408500000000 ] - [ -0.0008805500000000, -0.0000227600000000, -0.0002017100000000 ] - [ -0.0003021900000000, -0.0000179400000000, -0.0001235700000000 ] - [ -0.0063023500000000, -0.0001963900000000, -0.0012832300000000 ] - [ -0.0006457100000000, 0.0005819500000000, 0.0005408500000000 ] - [ -0.0008805500000000, 0.0000227600000000, -0.0002017100000000 ] - [ -0.0003021900000000, 0.0000179400000000, -0.0001235700000000 ] - [ 0.0002649100000000, -0.0003374900000000, -0.0004568600000000 ] - [ 0.0001218300000000, 0.0000275800000000, -0.0004536000000000 ] - [ 0.0195529700000000, 0.0033243200000000, 0.0068616200000000 ] - [ 0.0007072900000000, 0.0006495500000000, 0.0006368200000000 ] - [ 0.0002649100000000, 0.0003374900000000, -0.0004568600000000 ] - [ 0.0001218300000000, -0.0000275800000000, -0.0004536000000000 ] - [ 0.0195529700000000, -0.0033243200000000, 0.0068616200000000 ] - [ 0.0007072900000000, -0.0006495500000000, 0.0006368200000000 ] - [ -0.0032052100000000, -0.0041888500000000, 0.0016355500000000 ] - [ -0.0032052100000000, 0.0041888500000000, 0.0016355500000000 ] - [ -0.0004794200000000, -0.0000880100000000, -0.0002248100000000 ] - [ -0.0004794200000000, 0.0000880100000000, -0.0002248100000000 ] - [ 0.0007437500000000, 0.0000000000000000, -0.0018666800000000 ] - [ 0.0002906400000000, 0.0000000000000000, -0.0008355100000000 ] - [ -0.0036195600000000, 0.0000000000000000, 0.0085448700000000 ] - [ 0.0001968700000000, 0.0000000000000000, -0.0002436500000000 ] - [ -0.0015960400000000, 0.0000000000000000, 0.0014266900000000 ] - [ 0.0002708200000000, 0.0000000000000000, 0.0003369500000000 ] - [ -0.0018062100000000, 0.0000000000000000, -0.0043980500000000 ] - [ 0.0004045200000000, 0.0000000000000000, 0.0001647300000000 ] - [ 0.0040492000000000, 0.0052003700000000, 0.0009211900000000 ] - [ 0.0040492000000000, -0.0052003700000000, 0.0009211900000000 ] - [ -0.0000262200000000, -0.0001917900000000, -0.0008822500000000 ] - [ -0.0000262200000000, 0.0001917900000000, -0.0008822500000000 ] - [ 0.0493072600000000, 0.0000000000000000, 0.0538120300000000 ] - [ 0.0012367600000000, 0.0000000000000000, 0.0004462600000000 ] - [ 0.0015881200000000, 0.0000000000000000, -0.0014055100000000 ] - [ 0.0005448700000000, 0.0000000000000000, -0.0008236000000000 ] - [ -0.0002734300000000, -0.0003505900000000, 0.0000417100000000 ] - [ -0.0002734300000000, 0.0003505900000000, 0.0000417100000000 ] - [ -0.0004196500000000, -0.0013991100000000, -0.0008552700000000 ] - [ -0.0004196500000000, 0.0013991100000000, -0.0008552700000000 ] - [ -0.0001047000000000, 0.0001102700000000, -0.0018855700000000 ] - [ -0.0001047000000000, -0.0001102700000000, -0.0018855700000000 ] - [ -0.0024513200000000, 0.0023942800000000, -0.0003803800000000 ] - [ -0.0024513200000000, -0.0023942800000000, -0.0003803800000000 ] - [ -0.0142666600000000, 0.0000000000000000, 0.0014698100000000 ] - [ -0.0002656500000000, 0.0000000000000000, 0.0010706400000000 ] - [ 0.0001447100000000, 0.0000000000000000, -0.0004691100000000 ] - [ 0.0003840700000000, 0.0000000000000000, -0.0002001500000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002190700000000, -0.0005042100000000, -0.0004269000000000 ] - [ 0.0000605400000000, -0.0005823000000000, -0.0002565400000000 ] - [ -0.0003744200000000, 0.0051239200000000, 0.0063480100000000 ] - [ -0.0000984800000000, -0.0007614300000000, 0.0000111100000000 ] - [ -0.0155525200000000, 0.0081351000000000, 0.0001538700000000 ] - [ -0.0000218900000000, -0.0010222300000000, 0.0002950200000000 ] - [ 0.0000837800000000, -0.0003185800000000, -0.0003124600000000 ] - [ 0.0001765800000000, -0.0004360000000000, -0.0002979600000000 ] - [ -0.0061614300000000, 0.0121022000000000, -0.0149035000000000 ] - [ 0.0004141800000000, -0.0003075100000000, 0.0004631000000000 ] - [ 0.0004406600000000, 0.0002707400000000, -0.0000333500000000 ] - [ 0.0002126800000000, 0.0004751100000000, -0.0000372600000000 ] - [ -0.0002253600000000, 0.0005384600000000, -0.0001317500000000 ] - [ -0.0006975400000000, 0.0006453300000000, -0.0000305300000000 ] - [ -0.0004694700000000, 0.0000505200000000, -0.0003432100000000 ] - [ -0.0013946700000000, 0.0015581600000000, -0.0012245500000000 ] - [ -0.0155525200000000, -0.0081351000000000, 0.0001538700000000 ] - [ -0.0000218900000000, 0.0010222300000000, 0.0002950200000000 ] - [ 0.0000837800000000, 0.0003185800000000, -0.0003124600000000 ] - [ 0.0001765800000000, 0.0004360000000000, -0.0002979600000000 ] - [ 0.0000605400000000, 0.0005823000000000, -0.0002565400000000 ] - [ 0.0002190700000000, 0.0005042100000000, -0.0004269000000000 ] - [ -0.0000984800000000, 0.0007614300000000, 0.0000111100000000 ] - [ -0.0003744200000000, -0.0051239200000000, 0.0063480100000000 ] - [ -0.0006975400000000, -0.0006453300000000, -0.0000305300000000 ] - [ -0.0002253600000000, -0.0005384600000000, -0.0001317500000000 ] - [ -0.0013946700000000, -0.0015581600000000, -0.0012245500000000 ] - [ -0.0004694700000000, -0.0000505200000000, -0.0003432100000000 ] - [ -0.0061614300000000, -0.0121022000000000, -0.0149035000000000 ] - [ 0.0004141800000000, 0.0003075100000000, 0.0004631000000000 ] - [ 0.0004406600000000, -0.0002707400000000, -0.0000333500000000 ] - [ 0.0002126800000000, -0.0004751100000000, -0.0000372600000000 ] - [ 0.0029943900000000, 0.0000000000000000, 0.0117803400000000 ] - [ -0.0000793300000000, 0.0000000000000000, 0.0006205800000000 ] - [ 0.0008369700000000, 0.0000000000000000, -0.0016513300000000 ] - [ -0.0000659200000000, 0.0000000000000000, 0.0002173400000000 ] - [ 0.0015194800000000, 0.0002109600000000, -0.0008436200000000 ] - [ 0.0015194800000000, -0.0002109600000000, -0.0008436200000000 ] - [ 0.0007199300000000, -0.0002474400000000, -0.0009951900000000 ] - [ 0.0007199300000000, 0.0002474400000000, -0.0009951900000000 ] - [ -0.0000534400000000, -0.0000171600000000, -0.0001751700000000 ] - [ -0.0000534400000000, 0.0000171600000000, -0.0001751700000000 ] - [ -0.0015615100000000, -0.0002132700000000, -0.0000382500000000 ] - [ -0.0015615100000000, 0.0002132700000000, -0.0000382500000000 ] - [ -0.0101295600000000, 0.0000000000000000, -0.0007258500000000 ] - [ -0.0004148300000000, 0.0000000000000000, -0.0003036700000000 ] - [ -0.0005625500000000, 0.0000000000000000, -0.0011511300000000 ] - [ -0.0004109500000000, 0.0000000000000000, -0.0008057200000000 ] - [ 0.1197014200000000, 0.0000000000000000, 0.1056038300000000 ] - [ 0.0002945400000000, 0.0000000000000000, 0.0003202400000000 ] - [ 0.0000910300000000, 0.0000000000000000, -0.0008935100000000 ] - [ -0.0000802400000000, 0.0000000000000000, -0.0005913600000000 ] - [ 0.0000698100000000, -0.0000842000000000, -0.0000801600000000 ] - [ 0.0000698100000000, 0.0000842000000000, -0.0000801600000000 ] - [ 0.0005866900000000, -0.0016990200000000, -0.0002872400000000 ] - [ 0.0005866900000000, 0.0016990200000000, -0.0002872400000000 ] - [ -0.0006459600000000, 0.0013117500000000, -0.0017663100000000 ] - [ -0.0006459600000000, -0.0013117500000000, -0.0017663100000000 ] - [ -0.0006442200000000, 0.0003607800000000, 0.0002776900000000 ] - [ -0.0006442200000000, -0.0003607800000000, 0.0002776900000000 ] - [ -0.0038846300000000, 0.0000000000000000, 0.0025504700000000 ] - [ -0.0003743200000000, 0.0000000000000000, 0.0007499300000000 ] - [ -0.0002269800000000, 0.0000000000000000, -0.0002572200000000 ] - [ -0.0000599400000000, 0.0000000000000000, -0.0000970300000000 ] - [ 0.0027829600000000, -0.0005013500000000, 0.0013270000000000 ] - [ 0.0027829600000000, 0.0005013500000000, 0.0013270000000000 ] - [ -0.0000824600000000, -0.0000645900000000, -0.0006568000000000 ] - [ -0.0000824600000000, 0.0000645900000000, -0.0006568000000000 ] - [ -0.0000361300000000, 0.0000000000000000, 0.0007329100000000 ] - [ 0.0001022300000000, 0.0000000000000000, 0.0000176000000000 ] - [ -0.0079634100000000, 0.0000000000000000, -0.0251353800000000 ] - [ 0.0002912200000000, 0.0000000000000000, 0.0004066600000000 ] - [ -0.0009907200000000, 0.0000000000000000, -0.0018163200000000 ] - [ 0.0000062900000000, 0.0000000000000000, -0.0002264500000000 ] - [ -0.0004987200000000, 0.0000000000000000, 0.0004666200000000 ] - [ -0.0000131200000000, 0.0000000000000000, -0.0002383500000000 ] - [ -0.0021509700000000, 0.0000175900000000, 0.0017856800000000 ] - [ -0.0021509700000000, -0.0000175900000000, 0.0017856800000000 ] - [ -0.0002336400000000, -0.0001836800000000, -0.0001293500000000 ] - [ -0.0002336400000000, 0.0001836800000000, -0.0001293500000000 ] - [ 0.0063009200000000, -0.0002009800000000, 0.0012976700000000 ] - [ 0.0006437900000000, 0.0005869800000000, -0.0005368000000000 ] - [ 0.0008802400000000, 0.0000209300000000, 0.0001991700000000 ] - [ 0.0003017500000000, 0.0000180000000000, 0.0001227600000000 ] - [ 0.0063009200000000, 0.0002009800000000, 0.0012976700000000 ] - [ 0.0006437900000000, -0.0005869800000000, -0.0005368000000000 ] - [ 0.0008802400000000, -0.0000209300000000, 0.0001991700000000 ] - [ 0.0003017500000000, -0.0000180000000000, 0.0001227600000000 ] - [ -0.0002670100000000, 0.0003415200000000, 0.0004524400000000 ] - [ -0.0001224600000000, -0.0000282700000000, 0.0004526000000000 ] - [ -0.0195374100000000, -0.0029459400000000, -0.0065407600000000 ] - [ -0.0006966500000000, -0.0006570000000000, -0.0006228300000000 ] - [ -0.0002670100000000, -0.0003415200000000, 0.0004524400000000 ] - [ -0.0001224600000000, 0.0000282700000000, 0.0004526000000000 ] - [ -0.0195374100000000, 0.0029459400000000, -0.0065407600000000 ] - [ -0.0006966500000000, 0.0006570000000000, -0.0006228300000000 ] - [ 0.0025861500000000, 0.0041565500000000, -0.0008455500000000 ] - [ 0.0025861500000000, -0.0041565500000000, -0.0008455500000000 ] - [ -0.0001408300000000, 0.0000883800000000, 0.0010111500000000 ] - [ -0.0001408300000000, -0.0000883800000000, 0.0010111500000000 ] - [ -0.0001269100000000, 0.0000000000000000, 0.0010802700000000 ] - [ 0.0003299700000000, 0.0000000000000000, 0.0000483900000000 ] - [ 0.0042117900000000, 0.0000000000000000, -0.0094019600000000 ] - [ 0.0004197100000000, 0.0000000000000000, -0.0005437900000000 ] - [ 0.0022625600000000, 0.0000000000000000, -0.0006624500000000 ] - [ 0.0003520400000000, 0.0000000000000000, 0.0004514700000000 ] - [ 0.0024343200000000, 0.0000000000000000, 0.0052045200000000 ] - [ 0.0002172600000000, 0.0000000000000000, 0.0006240000000000 ] - [ -0.0046906700000000, -0.0052065300000000, -0.0017249300000000 ] - [ -0.0046906700000000, 0.0052065300000000, -0.0017249300000000 ] - [ -0.0005946000000000, 0.0001917400000000, 0.0000921300000000 ] - [ -0.0005946000000000, -0.0001917400000000, 0.0000921300000000 ] - [ -0.0479661400000000, 0.0000000000000000, -0.0552162300000000 ] - [ -0.0003237300000000, 0.0000000000000000, -0.0011233300000000 ] - [ -0.0006707500000000, 0.0000000000000000, 0.0007302800000000 ] - [ 0.0003719800000000, 0.0000000000000000, 0.0001502400000000 ] - [ -0.0006388500000000, 0.0003570500000000, 0.0006295800000000 ] - [ -0.0006388500000000, -0.0003570500000000, 0.0006295800000000 ] - [ -0.0004963600000000, 0.0013971600000000, 0.0015256200000000 ] - [ -0.0004963600000000, -0.0013971600000000, 0.0015256200000000 ] - [ -0.0008146700000000, -0.0001085300000000, 0.0012159000000000 ] - [ -0.0008146700000000, 0.0001085300000000, 0.0012159000000000 ] - [ 0.0015164900000000, -0.0023887800000000, -0.0002996000000000 ] - [ 0.0015164900000000, 0.0023887800000000, -0.0002996000000000 ] - [ 0.0151737400000000, 0.0000000000000000, -0.0007664700000000 ] - [ 0.0011829000000000, 0.0000000000000000, -0.0003982500000000 ] - [ 0.0007743000000000, 0.0000000000000000, 0.0011385100000000 ] - [ 0.0005338000000000, 0.0000000000000000, 0.0008717500000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000540800000000, -0.0009357000000000, -0.0002562600000000 ] - [ -0.0003434700000000, 0.0000960300000000, 0.0004099300000000 ] - [ -0.0073719300000000, 0.0050290300000000, 0.0114454300000000 ] - [ 0.0005146700000000, 0.0024279200000000, -0.0009814200000000 ] - [ -0.0108812400000000, -0.0007553400000000, -0.0002615000000000 ] - [ 0.0016024200000000, 0.0025665300000000, -0.0001516500000000 ] - [ 0.0001516700000000, -0.0007931700000000, -0.0000627300000000 ] - [ 0.0001893600000000, -0.0000596100000000, -0.0001106600000000 ] - [ -0.0138321500000000, 0.0041895700000000, -0.0169846600000000 ] - [ 0.0007295300000000, 0.0034866600000000, 0.0009914500000000 ] - [ 0.0002400700000000, -0.0001710700000000, 0.0003357800000000 ] - [ 0.0000739800000000, 0.0010173200000000, -0.0001264600000000 ] - [ -0.0000439900000000, 0.0013519500000000, -0.0004601200000000 ] - [ -0.0001457300000000, -0.0005484000000000, 0.0002919000000000 ] - [ 0.0000641800000000, 0.0013635800000000, 0.0004555900000000 ] - [ -0.0002673500000000, -0.0005847100000000, -0.0004825000000000 ] - [ 0.0113007100000000, 0.0000783800000000, 0.0000800000000000 ] - [ -0.0012454800000000, 0.0034184500000000, -0.0000308800000000 ] - [ 0.0001898300000000, 0.0000582000000000, -0.0001117700000000 ] - [ 0.0001524900000000, 0.0007964500000000, -0.0000657900000000 ] - [ -0.0000012200000000, 0.0009463100000000, -0.0002300500000000 ] - [ -0.0002852500000000, -0.0000762200000000, 0.0004390100000000 ] - [ -0.0008653000000000, 0.0032839000000000, 0.0011715000000000 ] - [ 0.0069708000000000, 0.0058754000000000, -0.0111546400000000 ] - [ -0.0002030100000000, -0.0014173100000000, -0.0004687800000000 ] - [ -0.0002989900000000, 0.0005039500000000, 0.0002791500000000 ] - [ -0.0000777100000000, -0.0014469800000000, 0.0003036500000000 ] - [ -0.0004053200000000, 0.0005103400000000, -0.0006294300000000 ] - [ 0.0140473100000000, 0.0033957900000000, 0.0170595100000000 ] - [ -0.0003989400000000, 0.0026286600000000, -0.0008270000000000 ] - [ 0.0001034500000000, -0.0010233400000000, -0.0001535600000000 ] - [ 0.0002696800000000, 0.0001626100000000, 0.0003082700000000 ] - [ -0.0002676100000000, -0.0089043600000000, 0.0005670900000000 ] - [ -0.0002352200000000, 0.0013324400000000, 0.0004728900000000 ] - [ -0.0002371600000000, -0.0005163600000000, 0.0004777400000000 ] - [ -0.0002387100000000, 0.0005008200000000, 0.0004809900000000 ] - [ 0.0019488600000000, 0.0003879100000000, -0.0031250900000000 ] - [ -0.0014723900000000, 0.0004013200000000, 0.0021544400000000 ] - [ 0.0001627000000000, 0.0000449700000000, 0.0005180000000000 ] - [ 0.0003115300000000, 0.0000468800000000, -0.0014685500000000 ] - [ 0.0000692300000000, -0.0000254600000000, -0.0000058700000000 ] - [ 0.0004084200000000, -0.0000236600000000, 0.0009672300000000 ] - [ -0.0004090700000000, 0.0009288800000000, 0.0009043900000000 ] - [ 0.0008804200000000, 0.0009326400000000, 0.0000506400000000 ] - [ -0.0002198000000000, -0.0038723700000000, -0.0004826700000000 ] - [ -0.0002376900000000, 0.0016466500000000, -0.0004791700000000 ] - [ -0.0002371600000000, -0.0002771400000000, -0.0004761400000000 ] - [ -0.0002374400000000, 0.0002894200000000, -0.0004776700000000 ] - [ -0.0011742700000000, -0.1407953800000000, -0.0024517000000000 ] - [ -0.0000602800000000, 0.0051524000000000, -0.0002280100000000 ] - [ -0.0000563500000000, -0.0003982500000000, -0.0002210800000000 ] - [ -0.0000578400000000, 0.0003825500000000, -0.0002221700000000 ] - [ 0.0001420800000000, -0.0000203600000000, -0.0005253100000000 ] - [ -0.0000248200000000, -0.0000154100000000, 0.0009758700000000 ] - [ 0.0017640900000000, 0.0008748000000000, 0.0034576100000000 ] - [ -0.0016370300000000, 0.0008776800000000, -0.0029897000000000 ] - [ -0.0003024700000000, 0.0010481900000000, -0.0024169100000000 ] - [ 0.0004205300000000, 0.0010563300000000, 0.0019708800000000 ] - [ -0.0012551300000000, 0.0010525500000000, 0.0019891300000000 ] - [ 0.0013652400000000, 0.0010519600000000, -0.0024297900000000 ] - [ -0.0000552400000000, -0.0036838600000000, 0.0002199200000000 ] - [ -0.0000569600000000, 0.0017486800000000, 0.0002207600000000 ] - [ -0.0000587700000000, -0.0004538900000000, 0.0002269800000000 ] - [ -0.0000583200000000, 0.0004819300000000, 0.0002272900000000 ] - [ 0.0018162000000000, 0.0181123000000000, 0.0012768700000000 ] - [ -0.0019886000000000, 0.0178141900000000, -0.0017363200000000 ] - [ -0.0001138400000000, 0.0000052800000000, -0.0002180900000000 ] - [ -0.0000752400000000, 0.0000074800000000, -0.0002395500000000 ] - [ 0.0000937500000000, -0.0004588000000000, 0.0002438600000000 ] - [ 0.0000947900000000, 0.0006037900000000, 0.0002308600000000 ] - [ 0.0000668700000000, -0.0080771500000000, 0.0001787800000000 ] - [ 0.0000968000000000, 0.0020772700000000, 0.0002349300000000 ] - [ 0.0000967400000000, -0.0029276900000000, -0.0002301600000000 ] - [ 0.0000944000000000, 0.0012796800000000, -0.0002339600000000 ] - [ 0.0000923300000000, -0.0022775800000000, -0.0002297500000000 ] - [ 0.0000936000000000, 0.0014069200000000, -0.0002282200000000 ] - [ -0.0007883400000000, 0.0012160200000000, -0.0005855200000000 ] - [ 0.0006043700000000, 0.0012248400000000, 0.0010390100000000 ] - [ -0.0002857100000000, -0.0000285800000000, 0.0007443700000000 ] - [ 0.0000945100000000, -0.0000265400000000, -0.0002773200000000 ] - [ 0.0052706500000000, 0.0024599400000000, 0.0031363400000000 ] - [ -0.0005339900000000, -0.0023480100000000, -0.0007926100000000 ] - [ 0.0002895800000000, 0.0012973200000000, -0.0008529700000000 ] - [ -0.0000984000000000, -0.0013373300000000, 0.0007786300000000 ] - [ -0.0052909600000000, 0.0024511900000000, -0.0031419700000000 ] - [ 0.0005369700000000, -0.0023376800000000, 0.0008031000000000 ] - [ -0.0002865200000000, 0.0012941500000000, 0.0008468200000000 ] - [ 0.0000987900000000, -0.0013356600000000, -0.0007864500000000 ] - [ -0.0000755500000000, 0.0006171400000000, 0.0002350600000000 ] - [ 0.0000653100000000, -0.0006142600000000, -0.0002455200000000 ] - [ 0.0036222000000000, 0.0319473900000000, 0.0040303700000000 ] - [ 0.0019906000000000, -0.0068795500000000, 0.0037448800000000 ] - [ 0.0000739200000000, 0.0006081400000000, -0.0002455900000000 ] - [ -0.0000654200000000, -0.0006108700000000, 0.0002419200000000 ] - [ -0.0026662000000000, 0.0303415700000000, -0.0026252700000000 ] - [ -0.0020068500000000, -0.0068965300000000, -0.0037749700000000 ] - [ -0.0014537700000000, -0.0025736100000000, 0.0006003500000000 ] - [ 0.0008203800000000, -0.0025850200000000, 0.0001964500000000 ] - [ -0.0001322500000000, -0.0000048500000000, 0.0003973600000000 ] - [ -0.0004888000000000, -0.0000077500000000, 0.0003842000000000 ] - [ 0.0003084400000000, 0.0009816300000000, -0.0003990900000000 ] - [ 0.0003099800000000, -0.0009620100000000, -0.0003932600000000 ] - [ 0.0003028000000000, 0.0105701500000000, -0.0003629900000000 ] - [ 0.0003138200000000, -0.0036887600000000, -0.0003965600000000 ] - [ 0.0003389100000000, 0.0010145600000000, 0.0003747300000000 ] - [ 0.0003082900000000, -0.0016422000000000, 0.0003980600000000 ] - [ 0.0003153100000000, 0.0011406000000000, 0.0004069100000000 ] - [ 0.0003099000000000, -0.0016234800000000, 0.0003897500000000 ] - [ 0.0003511000000000, -0.0063731500000000, 0.0068408000000000 ] - [ -0.0009260500000000, -0.0063927700000000, -0.0075552700000000 ] - [ -0.0001694600000000, -0.0000460200000000, -0.0011381200000000 ] - [ -0.0004517800000000, -0.0000487000000000, 0.0003420700000000 ] - [ 0.0007277400000000, 0.0436412900000000, 0.0003736900000000 ] - [ 0.0004632500000000, -0.0052460500000000, -0.0003212600000000 ] - [ 0.0004563400000000, 0.0010388800000000, -0.0003395100000000 ] - [ 0.0004586000000000, -0.0009309200000000, -0.0003397900000000 ] - [ -0.0018399200000000, 0.0001141900000000, 0.0022014300000000 ] - [ 0.0009181900000000, 0.0000962800000000, -0.0015284700000000 ] - [ -0.0014045200000000, 0.0001073100000000, -0.0022229700000000 ] - [ 0.0004830300000000, 0.0000977700000000, 0.0028809900000000 ] - [ -0.0008770200000000, 0.0000269200000000, 0.0013231100000000 ] - [ -0.0000404300000000, 0.0000191000000000, -0.0020008900000000 ] - [ 0.0030844200000000, -0.0049921900000000, -0.0025402900000000 ] - [ -0.0039882000000000, -0.0049951800000000, 0.0018586300000000 ] - [ 0.0004492000000000, 0.0123672000000000, 0.0003394800000000 ] - [ 0.0004551700000000, -0.0043561600000000, 0.0003408400000000 ] - [ 0.0004590800000000, 0.0006277800000000, 0.0003316700000000 ] - [ 0.0004591200000000, -0.0006108700000000, 0.0003330800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001873300000000, -0.0010488200000000, 0.0018294100000000 ] - [ -0.0004694600000000, 0.0002025100000000, 0.0011279300000000 ] - [ -0.0105298600000000, 0.0154922300000000, 0.0106612700000000 ] - [ -0.0000298600000000, -0.0026213900000000, -0.0009778100000000 ] - [ 0.0035272700000000, -0.0021800900000000, -0.0059045500000000 ] - [ 0.0004797400000000, -0.0000724000000000, -0.0017384100000000 ] - [ -0.0003247200000000, -0.0003173200000000, 0.0016897200000000 ] - [ -0.0001046800000000, -0.0005889600000000, 0.0010507200000000 ] - [ 0.0137774800000000, -0.0125572000000000, 0.0114520800000000 ] - [ -0.0002392200000000, 0.0018403900000000, -0.0011178800000000 ] - [ 0.0002544300000000, 0.0006709700000000, 0.0017123200000000 ] - [ 0.0004496800000000, 0.0000223100000000, 0.0011615100000000 ] - [ -0.0004584000000000, -0.0007148100000000, 0.0000524600000000 ] - [ -0.0016697800000000, 0.0026532800000000, 0.0007323600000000 ] - [ -0.0000189300000000, 0.0014947400000000, 0.0004425200000000 ] - [ 0.0014426900000000, -0.0021733900000000, 0.0022980200000000 ] - [ 0.0035272700000000, 0.0021800900000000, -0.0059045500000000 ] - [ 0.0004797400000000, 0.0000724000000000, -0.0017384100000000 ] - [ -0.0003247200000000, 0.0003173200000000, 0.0016897200000000 ] - [ -0.0001046800000000, 0.0005889600000000, 0.0010507200000000 ] - [ -0.0004694600000000, -0.0002025100000000, 0.0011279300000000 ] - [ -0.0001873300000000, 0.0010488200000000, 0.0018294100000000 ] - [ -0.0000298600000000, 0.0026213900000000, -0.0009778100000000 ] - [ -0.0105298600000000, -0.0154922300000000, 0.0106612700000000 ] - [ -0.0016697800000000, -0.0026532800000000, 0.0007323600000000 ] - [ -0.0004584000000000, 0.0007148100000000, 0.0000524600000000 ] - [ 0.0014426900000000, 0.0021733900000000, 0.0022980200000000 ] - [ -0.0000189300000000, -0.0014947400000000, 0.0004425200000000 ] - [ 0.0137774800000000, 0.0125572000000000, 0.0114520800000000 ] - [ -0.0002392200000000, -0.0018403900000000, -0.0011178800000000 ] - [ 0.0002544300000000, -0.0006709700000000, 0.0017123200000000 ] - [ 0.0004496800000000, -0.0000223100000000, 0.0011615100000000 ] - [ -0.0130546900000000, 0.0000000000000000, 0.0351813000000000 ] - [ -0.0000577100000000, 0.0000000000000000, -0.0004869600000000 ] - [ -0.0020905900000000, 0.0000000000000000, 0.0052631100000000 ] - [ -0.0006674600000000, 0.0000000000000000, 0.0015076200000000 ] - [ -0.0009705300000000, -0.0026838300000000, -0.0000412600000000 ] - [ -0.0009705300000000, 0.0026838300000000, -0.0000412600000000 ] - [ -0.0003488600000000, 0.0007850700000000, 0.0011391400000000 ] - [ -0.0003488600000000, -0.0007850700000000, 0.0011391400000000 ] - [ 0.0010772500000000, -0.0002340600000000, 0.0024775900000000 ] - [ 0.0010772500000000, 0.0002340600000000, 0.0024775900000000 ] - [ -0.0018661800000000, 0.0012864300000000, -0.0022283300000000 ] - [ -0.0018661800000000, -0.0012864300000000, -0.0022283300000000 ] - [ -0.0034980900000000, 0.0000000000000000, -0.0052937700000000 ] - [ -0.0010236100000000, 0.0000000000000000, -0.0021455500000000 ] - [ 0.0006730500000000, 0.0000000000000000, 0.0020172400000000 ] - [ 0.0003381300000000, 0.0000000000000000, 0.0008774500000000 ] - [ -0.1038899500000000, 0.0000000000000000, -0.3458253400000000 ] - [ -0.0006007900000000, 0.0000000000000000, -0.0026862400000000 ] - [ 0.0006101100000000, 0.0000000000000000, 0.0034743500000000 ] - [ 0.0003087600000000, 0.0000000000000000, 0.0016037900000000 ] - [ 0.0003627900000000, -0.0007468800000000, 0.0022692900000000 ] - [ 0.0003627900000000, 0.0007468800000000, 0.0022692900000000 ] - [ 0.0005668000000000, 0.0032212600000000, -0.0006960700000000 ] - [ 0.0005668000000000, -0.0032212600000000, -0.0006960700000000 ] - [ 0.0005580900000000, -0.0022011000000000, 0.0019798500000000 ] - [ 0.0005580900000000, 0.0022011000000000, 0.0019798500000000 ] - [ -0.0014807600000000, 0.0021960300000000, 0.0019790900000000 ] - [ -0.0014807600000000, -0.0021960300000000, 0.0019790900000000 ] - [ 0.0022667800000000, 0.0000000000000000, -0.0046467800000000 ] - [ 0.0004651700000000, 0.0000000000000000, -0.0016188300000000 ] - [ -0.0005395200000000, 0.0000000000000000, 0.0032655200000000 ] - [ -0.0003786200000000, 0.0000000000000000, 0.0018842200000000 ] - [ -0.0017339900000000, -0.0002645300000000, -0.0072643900000000 ] - [ -0.0017339900000000, 0.0002645300000000, -0.0072643900000000 ] - [ 0.0002377200000000, -0.0000510400000000, 0.0019780500000000 ] - [ 0.0002377200000000, 0.0000510400000000, 0.0019780500000000 ] - [ -0.0001324000000000, 0.0000000000000000, 0.0058143800000000 ] - [ 0.0002733400000000, 0.0000000000000000, 0.0013817000000000 ] - [ 0.0268116100000000, 0.0000000000000000, 0.0412620200000000 ] - [ 0.0000865600000000, 0.0000000000000000, -0.0008196300000000 ] - [ 0.0015043700000000, 0.0000000000000000, 0.0024704800000000 ] - [ 0.0000673200000000, 0.0000000000000000, -0.0001858200000000 ] - [ -0.0011000000000000, 0.0000000000000000, 0.0021213800000000 ] - [ -0.0000061500000000, 0.0000000000000000, 0.0002146200000000 ] - [ 0.0020371200000000, -0.0015597200000000, -0.0025920800000000 ] - [ 0.0020371200000000, 0.0015597200000000, -0.0025920800000000 ] - [ -0.0004255100000000, 0.0003782200000000, 0.0025576600000000 ] - [ -0.0004255100000000, -0.0003782200000000, 0.0025576600000000 ] - [ -0.0067655200000000, 0.0014273600000000, -0.0013338800000000 ] - [ -0.0004049700000000, -0.0017066000000000, 0.0011954600000000 ] - [ -0.0002791500000000, -0.0004567400000000, -0.0034774600000000 ] - [ 0.0001096500000000, 0.0011682500000000, -0.0020229200000000 ] - [ -0.0067655200000000, -0.0014273600000000, -0.0013338800000000 ] - [ -0.0004049700000000, 0.0017066000000000, 0.0011954600000000 ] - [ -0.0002791500000000, 0.0004567400000000, -0.0034774600000000 ] - [ 0.0001096500000000, -0.0011682500000000, -0.0020229200000000 ] - [ -0.0002035700000000, 0.0009727200000000, -0.0040632300000000 ] - [ -0.0000328200000000, -0.0005100300000000, -0.0024307600000000 ] - [ 0.0057958200000000, 0.0035805200000000, 0.0288142900000000 ] - [ 0.0000987800000000, 0.0011493800000000, 0.0036060800000000 ] - [ -0.0002035700000000, -0.0009727200000000, -0.0040632300000000 ] - [ -0.0000328200000000, 0.0005100300000000, -0.0024307600000000 ] - [ 0.0057958200000000, -0.0035805200000000, 0.0288142900000000 ] - [ 0.0000987800000000, -0.0011493800000000, 0.0036060800000000 ] - [ -0.0009427700000000, -0.0011471300000000, 0.0054821400000000 ] - [ -0.0009427700000000, 0.0011471300000000, 0.0054821400000000 ] - [ -0.0002623300000000, 0.0001464800000000, -0.0025998700000000 ] - [ -0.0002623300000000, -0.0001464800000000, -0.0025998700000000 ] - [ -0.0001771700000000, 0.0000000000000000, -0.0049063500000000 ] - [ 0.0000519500000000, 0.0000000000000000, -0.0019202700000000 ] - [ 0.0136978300000000, 0.0000000000000000, -0.0059913400000000 ] - [ 0.0011794400000000, 0.0000000000000000, 0.0007767800000000 ] - [ 0.0102407000000000, 0.0000000000000000, -0.0082214000000000 ] - [ -0.0000008900000000, 0.0000000000000000, 0.0001056900000000 ] - [ -0.0027120200000000, 0.0000000000000000, -0.0093870800000000 ] - [ 0.0007043200000000, 0.0000000000000000, -0.0000799100000000 ] - [ 0.0029226700000000, 0.0095551100000000, 0.0040420700000000 ] - [ 0.0029226700000000, -0.0095551100000000, 0.0040420700000000 ] - [ -0.0002852700000000, -0.0006524600000000, -0.0034589400000000 ] - [ -0.0002852700000000, 0.0006524600000000, -0.0034589400000000 ] - [ 0.0524043500000000, 0.0000000000000000, 0.1929884200000000 ] - [ 0.0015160900000000, 0.0000000000000000, 0.0027952600000000 ] - [ 0.0016289400000000, 0.0000000000000000, -0.0054800300000000 ] - [ 0.0001871800000000, 0.0000000000000000, -0.0027525700000000 ] - [ 0.0002742800000000, 0.0030213500000000, -0.0021073700000000 ] - [ 0.0002742800000000, -0.0030213500000000, -0.0021073700000000 ] - [ -0.0003726900000000, -0.0031829100000000, -0.0014186600000000 ] - [ -0.0003726900000000, 0.0031829100000000, -0.0014186600000000 ] - [ -0.0005426300000000, 0.0011975400000000, -0.0037073000000000 ] - [ -0.0005426300000000, -0.0011975400000000, -0.0037073000000000 ] - [ 0.0045807500000000, -0.0081477200000000, 0.0014986600000000 ] - [ 0.0045807500000000, 0.0081477200000000, 0.0014986600000000 ] - [ -0.0016947800000000, 0.0000000000000000, 0.0119770100000000 ] - [ 0.0002185400000000, 0.0000000000000000, 0.0036387600000000 ] - [ 0.0006267700000000, 0.0000000000000000, -0.0040608800000000 ] - [ 0.0005567600000000, 0.0000000000000000, -0.0022093700000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001551200000000, 0.0002001700000000, -0.0016579200000000 ] - [ 0.0001265100000000, -0.0010620600000000, -0.0009515000000000 ] - [ 0.0101041000000000, -0.0161856900000000, -0.0103942500000000 ] - [ -0.0003047900000000, 0.0017646100000000, 0.0011459400000000 ] - [ -0.0033315100000000, 0.0013974900000000, 0.0057326400000000 ] - [ -0.0001517300000000, -0.0007924700000000, 0.0015660700000000 ] - [ 0.0006707000000000, -0.0005404000000000, -0.0018760900000000 ] - [ 0.0004481100000000, -0.0002636100000000, -0.0012336200000000 ] - [ -0.0136580200000000, 0.0136134300000000, -0.0114174400000000 ] - [ 0.0005901100000000, -0.0009933700000000, 0.0013136600000000 ] - [ 0.0000840400000000, 0.0001864000000000, -0.0015401400000000 ] - [ -0.0001079300000000, 0.0008317800000000, -0.0009881500000000 ] - [ 0.0001193600000000, 0.0015790800000000, -0.0002268000000000 ] - [ 0.0013497400000000, -0.0018195200000000, -0.0009116200000000 ] - [ -0.0003268100000000, -0.0006401100000000, -0.0006283800000000 ] - [ -0.0017808500000000, 0.0030152000000000, -0.0024778200000000 ] - [ -0.0033315100000000, -0.0013974900000000, 0.0057326400000000 ] - [ -0.0001517300000000, 0.0007924700000000, 0.0015660700000000 ] - [ 0.0006707000000000, 0.0005404000000000, -0.0018760900000000 ] - [ 0.0004481100000000, 0.0002636100000000, -0.0012336200000000 ] - [ 0.0001265100000000, 0.0010620600000000, -0.0009515000000000 ] - [ -0.0001551200000000, -0.0002001700000000, -0.0016579200000000 ] - [ -0.0003047900000000, -0.0017646100000000, 0.0011459400000000 ] - [ 0.0101041000000000, 0.0161856900000000, -0.0103942500000000 ] - [ 0.0013497400000000, 0.0018195200000000, -0.0009116200000000 ] - [ 0.0001193600000000, -0.0015790800000000, -0.0002268000000000 ] - [ -0.0017808500000000, -0.0030152000000000, -0.0024778200000000 ] - [ -0.0003268100000000, 0.0006401100000000, -0.0006283800000000 ] - [ -0.0136580200000000, -0.0136134300000000, -0.0114174400000000 ] - [ 0.0005901100000000, 0.0009933700000000, 0.0013136600000000 ] - [ 0.0000840400000000, -0.0001864000000000, -0.0015401400000000 ] - [ -0.0001079300000000, -0.0008317800000000, -0.0009881500000000 ] - [ 0.0128094200000000, 0.0000000000000000, -0.0349184900000000 ] - [ -0.0004214200000000, 0.0000000000000000, 0.0014581200000000 ] - [ 0.0016155900000000, 0.0000000000000000, -0.0043096300000000 ] - [ 0.0001965500000000, 0.0000000000000000, -0.0005594000000000 ] - [ 0.0014474900000000, 0.0027075400000000, -0.0009028500000000 ] - [ 0.0014474900000000, -0.0027075400000000, -0.0009028500000000 ] - [ 0.0008266100000000, -0.0007835400000000, -0.0021060300000000 ] - [ 0.0008266100000000, 0.0007835400000000, -0.0021060300000000 ] - [ -0.0006058800000000, 0.0002370200000000, -0.0015276900000000 ] - [ -0.0006058800000000, -0.0002370200000000, -0.0015276900000000 ] - [ 0.0023287600000000, -0.0012942000000000, 0.0031767400000000 ] - [ 0.0023287600000000, 0.0012942000000000, 0.0031767400000000 ] - [ 0.0030262700000000, 0.0000000000000000, 0.0043287100000000 ] - [ 0.0005481500000000, 0.0000000000000000, 0.0011913200000000 ] - [ -0.0011510900000000, 0.0000000000000000, -0.0029834500000000 ] - [ -0.0008143200000000, 0.0000000000000000, -0.0018378600000000 ] - [ 0.1077479600000000, 0.0000000000000000, 0.3569211100000000 ] - [ 0.0004906600000000, 0.0000000000000000, 0.0022468800000000 ] - [ -0.0007302600000000, 0.0000000000000000, -0.0039377700000000 ] - [ -0.0004254900000000, 0.0000000000000000, -0.0020586800000000 ] - [ -0.0002482100000000, 0.0007546300000000, -0.0018268500000000 ] - [ -0.0002482100000000, -0.0007546300000000, -0.0018268500000000 ] - [ -0.0004563300000000, -0.0032256600000000, 0.0011200200000000 ] - [ -0.0004563300000000, 0.0032256600000000, 0.0011200200000000 ] - [ -0.0004470400000000, 0.0022181300000000, -0.0024339700000000 ] - [ -0.0004470400000000, -0.0022181300000000, -0.0024339700000000 ] - [ 0.0015945900000000, -0.0021925100000000, -0.0024346200000000 ] - [ 0.0015945900000000, 0.0021925100000000, -0.0024346200000000 ] - [ -0.0024103900000000, 0.0000000000000000, 0.0051486900000000 ] - [ -0.0005847500000000, 0.0000000000000000, 0.0020845500000000 ] - [ 0.0004266800000000, 0.0000000000000000, -0.0028288500000000 ] - [ 0.0002655900000000, 0.0000000000000000, -0.0014444400000000 ] - [ 0.0015480100000000, 0.0001340500000000, 0.0068280200000000 ] - [ 0.0015480100000000, -0.0001340500000000, 0.0068280200000000 ] - [ -0.0004281400000000, 0.0000539500000000, -0.0024467200000000 ] - [ -0.0004281400000000, -0.0000539500000000, -0.0024467200000000 ] - [ 0.0003268400000000, 0.0000000000000000, -0.0053989300000000 ] - [ -0.0000848600000000, 0.0000000000000000, -0.0009226800000000 ] - [ -0.0261299800000000, 0.0000000000000000, -0.0401968700000000 ] - [ 0.0001009400000000, 0.0000000000000000, 0.0012733900000000 ] - [ -0.0013261000000000, 0.0000000000000000, -0.0029383600000000 ] - [ 0.0001216300000000, 0.0000000000000000, -0.0002659900000000 ] - [ 0.0012923000000000, 0.0000000000000000, -0.0025940400000000 ] - [ 0.0001973900000000, 0.0000000000000000, -0.0006830800000000 ] - [ -0.0022477300000000, 0.0015672300000000, 0.0030815500000000 ] - [ -0.0022477300000000, -0.0015672300000000, 0.0030815500000000 ] - [ 0.0002379300000000, -0.0003761900000000, -0.0021063100000000 ] - [ 0.0002379300000000, 0.0003761900000000, -0.0021063100000000 ] - [ 0.0068051000000000, -0.0014345000000000, 0.0013257100000000 ] - [ 0.0004053800000000, 0.0017176500000000, -0.0012136600000000 ] - [ 0.0002775600000000, 0.0004564300000000, 0.0034910700000000 ] - [ -0.0001095300000000, -0.0011671900000000, 0.0020356300000000 ] - [ 0.0068051000000000, 0.0014345000000000, 0.0013257100000000 ] - [ 0.0004053800000000, -0.0017176500000000, -0.0012136600000000 ] - [ 0.0002775600000000, -0.0004564300000000, 0.0034910700000000 ] - [ -0.0001095300000000, 0.0011671900000000, 0.0020356300000000 ] - [ 0.0002049700000000, -0.0009845600000000, 0.0040836600000000 ] - [ 0.0000331100000000, 0.0005156600000000, 0.0024393500000000 ] - [ -0.0052104300000000, -0.0024613400000000, -0.0281535800000000 ] - [ -0.0000880700000000, -0.0011742200000000, -0.0035778200000000 ] - [ 0.0002049700000000, 0.0009845600000000, 0.0040836600000000 ] - [ 0.0000331100000000, -0.0005156600000000, 0.0024393500000000 ] - [ -0.0052104300000000, 0.0024613400000000, -0.0281535800000000 ] - [ -0.0000880700000000, 0.0011742200000000, -0.0035778200000000 ] - [ 0.0003495700000000, 0.0011878200000000, -0.0047203300000000 ] - [ 0.0003495700000000, -0.0011878200000000, -0.0047203300000000 ] - [ -0.0003603100000000, -0.0001508000000000, 0.0033989700000000 ] - [ -0.0003603100000000, 0.0001508000000000, 0.0033989700000000 ] - [ 0.0008053900000000, 0.0000000000000000, 0.0041409600000000 ] - [ 0.0005724100000000, 0.0000000000000000, 0.0011338600000000 ] - [ -0.0130398100000000, 0.0000000000000000, 0.0052359000000000 ] - [ -0.0005627800000000, 0.0000000000000000, -0.0015563800000000 ] - [ -0.0096959600000000, 0.0000000000000000, 0.0090617300000000 ] - [ 0.0006264100000000, 0.0000000000000000, 0.0006742400000000 ] - [ 0.0033497200000000, 0.0000000000000000, 0.0102183600000000 ] - [ -0.0000816400000000, 0.0000000000000000, 0.0008816700000000 ] - [ -0.0035798600000000, -0.0096308000000000, -0.0049079500000000 ] - [ -0.0035798600000000, 0.0096308000000000, -0.0049079500000000 ] - [ -0.0003369500000000, 0.0006505400000000, 0.0026832500000000 ] - [ -0.0003369500000000, -0.0006505400000000, 0.0026832500000000 ] - [ -0.0565310400000000, 0.0000000000000000, -0.2063879800000000 ] - [ -0.0006086500000000, 0.0000000000000000, -0.0035017700000000 ] - [ -0.0007095000000000, 0.0000000000000000, 0.0048252900000000 ] - [ 0.0007281200000000, 0.0000000000000000, 0.0020932200000000 ] - [ -0.0011942900000000, -0.0030508300000000, 0.0027824700000000 ] - [ -0.0011942900000000, 0.0030508300000000, 0.0027824700000000 ] - [ -0.0005390900000000, 0.0031758300000000, 0.0021152100000000 ] - [ -0.0005390900000000, -0.0031758300000000, 0.0021152100000000 ] - [ -0.0003715300000000, -0.0012085300000000, 0.0030453500000000 ] - [ -0.0003715300000000, 0.0012085300000000, 0.0030453500000000 ] - [ -0.0055063700000000, 0.0081587200000000, -0.0021407400000000 ] - [ -0.0055063700000000, -0.0081587200000000, -0.0021407400000000 ] - [ 0.0026944900000000, 0.0000000000000000, -0.0113760800000000 ] - [ 0.0007100000000000, 0.0000000000000000, -0.0029854900000000 ] - [ 0.0002869000000000, 0.0000000000000000, 0.0047511100000000 ] - [ 0.0003581400000000, 0.0000000000000000, 0.0028922000000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004469500000000, -0.0004088300000000, 0.0004776200000000 ] - [ -0.0002904300000000, -0.0004775700000000, 0.0003080700000000 ] - [ 0.0018484600000000, 0.0055325300000000, -0.0083161300000000 ] - [ -0.0001195900000000, -0.0006603600000000, 0.0000374000000000 ] - [ 0.0001319800000000, -0.0019655400000000, -0.0003608200000000 ] - [ 0.0164810000000000, 0.0147287200000000, -0.0002293700000000 ] - [ 0.0001594200000000, -0.0004609300000000, 0.0000773300000000 ] - [ 0.0002214400000000, -0.0003583300000000, 0.0000926000000000 ] - [ 0.0042642100000000, 0.0096529200000000, 0.0084366800000000 ] - [ 0.0001969800000000, -0.0008946500000000, -0.0001010800000000 ] - [ -0.0000505000000000, 0.0003543300000000, 0.0000971100000000 ] - [ 0.0000993200000000, 0.0004483200000000, 0.0001680500000000 ] - [ 0.0000906300000000, 0.0005016500000000, -0.0002097800000000 ] - [ -0.0001974300000000, 0.0004755700000000, -0.0001538100000000 ] - [ 0.0015097900000000, 0.0017661500000000, 0.0015062600000000 ] - [ 0.0000514600000000, 0.0002739900000000, 0.0001053600000000 ] - [ 0.0164810000000000, -0.0147287200000000, -0.0002293700000000 ] - [ 0.0001319800000000, 0.0019655400000000, -0.0003608200000000 ] - [ 0.0002214400000000, 0.0003583300000000, 0.0000926000000000 ] - [ 0.0001594200000000, 0.0004609300000000, 0.0000773300000000 ] - [ -0.0004469500000000, 0.0004088300000000, 0.0004776200000000 ] - [ -0.0002904300000000, 0.0004775700000000, 0.0003080700000000 ] - [ 0.0018484600000000, -0.0055325300000000, -0.0083161300000000 ] - [ -0.0001195900000000, 0.0006603600000000, 0.0000374000000000 ] - [ 0.0000906300000000, -0.0005016500000000, -0.0002097800000000 ] - [ -0.0001974300000000, -0.0004755700000000, -0.0001538100000000 ] - [ 0.0015097900000000, -0.0017661500000000, 0.0015062600000000 ] - [ 0.0000514600000000, -0.0002739900000000, 0.0001053600000000 ] - [ 0.0001969800000000, 0.0008946500000000, -0.0001010800000000 ] - [ 0.0042642100000000, -0.0096529200000000, 0.0084366800000000 ] - [ 0.0000993200000000, -0.0004483200000000, 0.0001680500000000 ] - [ -0.0000505000000000, -0.0003543300000000, 0.0000971100000000 ] - [ -0.0020528600000000, 0.0003624400000000, 0.0008424300000000 ] - [ -0.0020528600000000, -0.0003624400000000, 0.0008424300000000 ] - [ -0.0006465700000000, -0.0001760500000000, 0.0008969400000000 ] - [ -0.0006465700000000, 0.0001760500000000, 0.0008969400000000 ] - [ -0.0024266200000000, 0.0000000000000000, -0.0035251300000000 ] - [ 0.0000125200000000, 0.0000000000000000, -0.0004146300000000 ] - [ -0.0013819700000000, 0.0000000000000000, 0.0022504100000000 ] - [ 0.0000897400000000, 0.0000000000000000, -0.0002815000000000 ] - [ 0.0005269900000000, 0.0000000000000000, 0.0010416300000000 ] - [ 0.0003728100000000, 0.0000000000000000, 0.0007304200000000 ] - [ 0.0061766700000000, 0.0000000000000000, 0.0005394600000000 ] - [ 0.0005650500000000, 0.0000000000000000, 0.0005400800000000 ] - [ 0.0031935400000000, -0.0007709900000000, 0.0006469400000000 ] - [ 0.0031935400000000, 0.0007709900000000, 0.0006469400000000 ] - [ -0.0000418800000000, -0.0000046900000000, -0.0000668300000000 ] - [ -0.0000418800000000, 0.0000046900000000, -0.0000668300000000 ] - [ -0.0029361800000000, 0.0019182500000000, -0.0018617300000000 ] - [ -0.0029361800000000, -0.0019182500000000, -0.0018617300000000 ] - [ -0.0000707900000000, -0.0000191700000000, 0.0001074200000000 ] - [ -0.0000707900000000, 0.0000191700000000, 0.0001074200000000 ] - [ 0.0001876600000000, 0.0000000000000000, -0.0000002400000000 ] - [ 0.0000508400000000, 0.0000000000000000, 0.0004039400000000 ] - [ 0.0081032300000000, 0.0000000000000000, 0.0267768700000000 ] - [ -0.0001388200000000, 0.0000000000000000, 0.0002187000000000 ] - [ 0.0006546800000000, 0.0000000000000000, 0.0009671500000000 ] - [ 0.0001671800000000, 0.0000000000000000, -0.0001242400000000 ] - [ 0.0011484600000000, 0.0000000000000000, -0.0016404500000000 ] - [ 0.0001475600000000, 0.0000000000000000, -0.0001983300000000 ] - [ 0.0020018100000000, -0.0007010200000000, -0.0019225400000000 ] - [ 0.0020018100000000, 0.0007010200000000, -0.0019225400000000 ] - [ 0.0000802600000000, -0.0001899600000000, 0.0005561300000000 ] - [ 0.0000802600000000, 0.0001899600000000, 0.0005561300000000 ] - [ -0.1126522500000000, 0.0000000000000000, -0.0942149300000000 ] - [ -0.0006287300000000, 0.0000000000000000, -0.0007535600000000 ] - [ -0.0002059500000000, 0.0000000000000000, 0.0002780300000000 ] - [ -0.0000955300000000, 0.0000000000000000, 0.0000159900000000 ] - [ 0.0000443000000000, -0.0000460500000000, 0.0004616000000000 ] - [ 0.0000443000000000, 0.0000460500000000, 0.0004616000000000 ] - [ -0.0011542700000000, -0.0016022300000000, 0.0006409100000000 ] - [ -0.0011542700000000, 0.0016022300000000, 0.0006409100000000 ] - [ 0.0009317900000000, 0.0008626900000000, 0.0006347900000000 ] - [ 0.0009317900000000, -0.0008626900000000, 0.0006347900000000 ] - [ 0.0009330000000000, 0.0004870100000000, -0.0007232500000000 ] - [ 0.0009330000000000, -0.0004870100000000, -0.0007232500000000 ] - [ 0.0037025100000000, 0.0000000000000000, -0.0014375200000000 ] - [ 0.0003771200000000, 0.0000000000000000, -0.0002819500000000 ] - [ 0.0002324300000000, 0.0000000000000000, 0.0005057300000000 ] - [ -0.0000683100000000, 0.0000000000000000, 0.0004338300000000 ] - [ -0.0047660200000000, -0.0000022800000000, -0.0008291100000000 ] - [ -0.0009676300000000, 0.0002070500000000, 0.0006019000000000 ] - [ -0.0012778400000000, -0.0001214500000000, 0.0000461700000000 ] - [ -0.0002576300000000, 0.0000981000000000, -0.0000264600000000 ] - [ -0.0009676300000000, -0.0002070500000000, 0.0006019000000000 ] - [ -0.0047660200000000, 0.0000022800000000, -0.0008291100000000 ] - [ -0.0002576300000000, -0.0000981000000000, -0.0000264600000000 ] - [ -0.0012778400000000, 0.0001214500000000, 0.0000461700000000 ] - [ 0.0002067600000000, 0.0001810300000000, -0.0003777600000000 ] - [ 0.0000800600000000, -0.0000286900000000, -0.0003403200000000 ] - [ 0.0226488000000000, -0.0065572700000000, 0.0093168600000000 ] - [ 0.0014010600000000, -0.0001978200000000, 0.0010090600000000 ] - [ 0.0000800600000000, 0.0000286900000000, -0.0003403200000000 ] - [ 0.0002067600000000, -0.0001810300000000, -0.0003777600000000 ] - [ 0.0014010600000000, 0.0001978200000000, 0.0010090600000000 ] - [ 0.0226488000000000, 0.0065572700000000, 0.0093168600000000 ] - [ -0.0156135800000000, 0.0000000000000000, 0.0006722500000000 ] - [ -0.0010208600000000, 0.0000000000000000, 0.0008621100000000 ] - [ -0.0005289400000000, 0.0000000000000000, -0.0001415600000000 ] - [ -0.0003675000000000, 0.0000000000000000, 0.0000431500000000 ] - [ 0.0004516800000000, -0.0000927500000000, -0.0012508800000000 ] - [ 0.0004516800000000, 0.0000927500000000, -0.0012508800000000 ] - [ -0.0017709200000000, -0.0027595200000000, -0.0007362800000000 ] - [ -0.0017709200000000, 0.0027595200000000, -0.0007362800000000 ] - [ 0.0006577200000000, 0.0002407900000000, 0.0002915900000000 ] - [ 0.0006577200000000, -0.0002407900000000, 0.0002915900000000 ] - [ 0.0004485300000000, 0.0011192000000000, -0.0005282900000000 ] - [ 0.0004485300000000, -0.0011192000000000, -0.0005282900000000 ] - [ 0.0372337000000000, 0.0000000000000000, 0.0463566600000000 ] - [ 0.0002662900000000, 0.0000000000000000, -0.0000632500000000 ] - [ 0.0006807100000000, 0.0000000000000000, -0.0010673100000000 ] - [ -0.0002194500000000, 0.0000000000000000, -0.0006955300000000 ] - [ 0.0052381100000000, -0.0062178900000000, 0.0005542200000000 ] - [ 0.0052381100000000, 0.0062178900000000, 0.0005542200000000 ] - [ 0.0007827700000000, 0.0000808500000000, -0.0007499800000000 ] - [ 0.0007827700000000, -0.0000808500000000, -0.0007499800000000 ] - [ -0.0015340900000000, 0.0000000000000000, 0.0011654400000000 ] - [ -0.0003376200000000, 0.0000000000000000, 0.0001665900000000 ] - [ -0.0026341400000000, 0.0000000000000000, -0.0063309600000000 ] - [ -0.0003876400000000, 0.0000000000000000, 0.0000139500000000 ] - [ -0.0001255900000000, 0.0000000000000000, -0.0017158000000000 ] - [ -0.0004634300000000, 0.0000000000000000, -0.0007483300000000 ] - [ -0.0060524000000000, 0.0000000000000000, 0.0072865500000000 ] - [ -0.0008604400000000, 0.0000000000000000, -0.0003988900000000 ] - [ -0.0039165900000000, 0.0064880600000000, 0.0024673600000000 ] - [ -0.0039165900000000, -0.0064880600000000, 0.0024673600000000 ] - [ 0.0003330700000000, 0.0000787500000000, -0.0002138100000000 ] - [ 0.0003330700000000, -0.0000787500000000, -0.0002138100000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001044700000000, -0.0004441300000000, -0.0002997800000000 ] - [ -0.0000524500000000, -0.0003752900000000, -0.0001295100000000 ] - [ -0.0021448400000000, -0.0064144500000000, 0.0085365600000000 ] - [ -0.0002209100000000, -0.0001943800000000, 0.0001405600000000 ] - [ 0.0002064100000000, 0.0011001700000000, 0.0001830400000000 ] - [ -0.0159352200000000, -0.0153471900000000, 0.0000711000000000 ] - [ 0.0001847400000000, -0.0003920900000000, -0.0002568600000000 ] - [ 0.0001228000000000, -0.0004951900000000, -0.0002715800000000 ] - [ -0.0039358100000000, -0.0088885500000000, -0.0083398300000000 ] - [ 0.0001540600000000, 0.0017514700000000, 0.0002846400000000 ] - [ 0.0003956100000000, 0.0004985800000000, 0.0000813700000000 ] - [ 0.0002439500000000, 0.0004049900000000, 0.0000107300000000 ] - [ -0.0004440800000000, 0.0003489700000000, 0.0000273400000000 ] - [ -0.0001485400000000, 0.0003764300000000, -0.0000272000000000 ] - [ -0.0018558000000000, -0.0009143300000000, -0.0016869700000000 ] - [ -0.0003964400000000, 0.0005791500000000, -0.0002844000000000 ] - [ -0.0159352200000000, 0.0153471900000000, 0.0000711000000000 ] - [ 0.0002064100000000, -0.0011001700000000, 0.0001830400000000 ] - [ 0.0001228000000000, 0.0004951900000000, -0.0002715800000000 ] - [ 0.0001847400000000, 0.0003920900000000, -0.0002568600000000 ] - [ 0.0001044700000000, 0.0004441300000000, -0.0002997800000000 ] - [ -0.0000524500000000, 0.0003752900000000, -0.0001295100000000 ] - [ -0.0021448400000000, 0.0064144500000000, 0.0085365600000000 ] - [ -0.0002209100000000, 0.0001943800000000, 0.0001405600000000 ] - [ -0.0004440800000000, -0.0003489700000000, 0.0000273400000000 ] - [ -0.0001485400000000, -0.0003764300000000, -0.0000272000000000 ] - [ -0.0018558000000000, 0.0009143300000000, -0.0016869700000000 ] - [ -0.0003964400000000, -0.0005791500000000, -0.0002844000000000 ] - [ 0.0001540600000000, -0.0017514700000000, 0.0002846400000000 ] - [ -0.0039358100000000, 0.0088885500000000, -0.0083398300000000 ] - [ 0.0002439500000000, -0.0004049900000000, 0.0000107300000000 ] - [ 0.0003956100000000, -0.0004985800000000, 0.0000813700000000 ] - [ 0.0015780600000000, -0.0003619300000000, 0.0001201200000000 ] - [ 0.0015780600000000, 0.0003619300000000, 0.0001201200000000 ] - [ 0.0001685100000000, 0.0001763000000000, 0.0000614700000000 ] - [ 0.0001685100000000, -0.0001763000000000, 0.0000614700000000 ] - [ 0.0028852000000000, 0.0000000000000000, 0.0026045600000000 ] - [ 0.0004653600000000, 0.0000000000000000, -0.0005444600000000 ] - [ 0.0018578900000000, 0.0000000000000000, -0.0032065100000000 ] - [ 0.0003887700000000, 0.0000000000000000, -0.0006776400000000 ] - [ -0.0000499300000000, 0.0000000000000000, -0.0000847400000000 ] - [ 0.0001058200000000, 0.0000000000000000, 0.0002283100000000 ] - [ -0.0057149700000000, 0.0000000000000000, 0.0004544600000000 ] - [ -0.0000830400000000, 0.0000000000000000, 0.0004230200000000 ] - [ -0.0036506600000000, 0.0007606600000000, -0.0015934500000000 ] - [ -0.0036506600000000, -0.0007606600000000, -0.0015934500000000 ] - [ -0.0004369000000000, 0.0000047000000000, -0.0008937700000000 ] - [ -0.0004369000000000, -0.0000047000000000, -0.0008937700000000 ] - [ 0.0028271300000000, -0.0018867600000000, 0.0014208800000000 ] - [ 0.0028271300000000, 0.0018867600000000, 0.0014208800000000 ] - [ -0.0000457900000000, 0.0000194500000000, -0.0005579000000000 ] - [ -0.0000457900000000, -0.0000194500000000, -0.0005579000000000 ] - [ -0.0000741200000000, 0.0000000000000000, 0.0004581600000000 ] - [ 0.0000655000000000, 0.0000000000000000, 0.0000448600000000 ] - [ -0.0080121700000000, 0.0000000000000000, -0.0261609600000000 ] - [ 0.0002542300000000, 0.0000000000000000, 0.0002321700000000 ] - [ -0.0005359600000000, 0.0000000000000000, -0.0014251500000000 ] - [ -0.0000499100000000, 0.0000000000000000, -0.0003276700000000 ] - [ -0.0010255800000000, 0.0000000000000000, 0.0011903600000000 ] - [ -0.0000304700000000, 0.0000000000000000, -0.0002520500000000 ] - [ -0.0021141600000000, 0.0006916400000000, 0.0023617800000000 ] - [ -0.0021141600000000, -0.0006916400000000, 0.0023617800000000 ] - [ -0.0001966000000000, 0.0001904000000000, -0.0001076700000000 ] - [ -0.0001966000000000, -0.0001904000000000, -0.0001076700000000 ] - [ 0.1121771900000000, 0.0000000000000000, 0.0943715700000000 ] - [ 0.0004364000000000, 0.0000000000000000, 0.0002897800000000 ] - [ 0.0000165800000000, 0.0000000000000000, -0.0007415100000000 ] - [ -0.0000945000000000, 0.0000000000000000, -0.0004810700000000 ] - [ 0.0001451300000000, 0.0000471000000000, 0.0000023200000000 ] - [ 0.0001451300000000, -0.0000471000000000, 0.0000023200000000 ] - [ 0.0013369300000000, 0.0016065400000000, -0.0001783800000000 ] - [ 0.0013369300000000, -0.0016065400000000, -0.0001783800000000 ] - [ -0.0007422600000000, -0.0008652900000000, -0.0011047600000000 ] - [ -0.0007422600000000, 0.0008652900000000, -0.0011047600000000 ] - [ -0.0007411000000000, -0.0004843400000000, 0.0002588600000000 ] - [ -0.0007411000000000, 0.0004843400000000, 0.0002588600000000 ] - [ -0.0038936100000000, 0.0000000000000000, 0.0018865400000000 ] - [ -0.0005658500000000, 0.0000000000000000, 0.0007449600000000 ] - [ -0.0004221500000000, 0.0000000000000000, -0.0000432400000000 ] - [ -0.0001218000000000, 0.0000000000000000, 0.0000296100000000 ] - [ 0.0047689000000000, 0.0000083000000000, 0.0008452300000000 ] - [ 0.0009650200000000, -0.0002120500000000, -0.0005981200000000 ] - [ 0.0012780100000000, 0.0001210700000000, -0.0000449000000000 ] - [ 0.0002575500000000, -0.0000974500000000, 0.0000267900000000 ] - [ 0.0009650200000000, 0.0002120500000000, -0.0005981200000000 ] - [ 0.0047689000000000, -0.0000083000000000, 0.0008452300000000 ] - [ 0.0002575500000000, 0.0000974500000000, 0.0000267900000000 ] - [ 0.0012780100000000, -0.0001210700000000, -0.0000449000000000 ] - [ -0.0002084200000000, -0.0001833700000000, 0.0003769300000000 ] - [ -0.0000804600000000, 0.0000293700000000, 0.0003413900000000 ] - [ -0.0227574700000000, 0.0063100100000000, -0.0091353100000000 ] - [ -0.0013887100000000, 0.0002070700000000, -0.0010028900000000 ] - [ -0.0000804600000000, -0.0000293700000000, 0.0003413900000000 ] - [ -0.0002084200000000, 0.0001833700000000, 0.0003769300000000 ] - [ -0.0013887100000000, -0.0002070700000000, -0.0010028900000000 ] - [ -0.0227574700000000, -0.0063100100000000, -0.0091353100000000 ] - [ 0.0149322200000000, 0.0000000000000000, 0.0001055500000000 ] - [ 0.0003979600000000, 0.0000000000000000, -0.0000767900000000 ] - [ -0.0000904100000000, 0.0000000000000000, 0.0009295600000000 ] - [ -0.0002527100000000, 0.0000000000000000, 0.0007455100000000 ] - [ 0.0001677400000000, 0.0000931100000000, 0.0004669100000000 ] - [ 0.0001677400000000, -0.0000931100000000, 0.0004669100000000 ] - [ 0.0023763900000000, 0.0027506500000000, -0.0000580100000000 ] - [ 0.0023763900000000, -0.0027506500000000, -0.0000580100000000 ] - [ -0.0000323800000000, -0.0002435100000000, 0.0004987900000000 ] - [ -0.0000323800000000, 0.0002435100000000, 0.0004987900000000 ] - [ 0.0001733300000000, -0.0011202700000000, 0.0013177500000000 ] - [ 0.0001733300000000, 0.0011202700000000, 0.0013177500000000 ] - [ -0.0376943800000000, 0.0000000000000000, -0.0482664200000000 ] - [ -0.0008896300000000, 0.0000000000000000, -0.0007293300000000 ] - [ -0.0013022200000000, 0.0000000000000000, 0.0002800900000000 ] - [ -0.0004010400000000, 0.0000000000000000, -0.0000924100000000 ] - [ -0.0043473000000000, 0.0062356300000000, -0.0012559900000000 ] - [ -0.0043473000000000, -0.0062356300000000, -0.0012559900000000 ] - [ 0.0001350200000000, -0.0000807800000000, 0.0000785900000000 ] - [ 0.0001350200000000, 0.0000807800000000, 0.0000785900000000 ] - [ 0.0006525000000000, 0.0000000000000000, -0.0005041000000000 ] - [ -0.0005781000000000, 0.0000000000000000, 0.0005072100000000 ] - [ 0.0017227000000000, 0.0000000000000000, 0.0070447800000000 ] - [ -0.0005299300000000, 0.0000000000000000, 0.0006580000000000 ] - [ -0.0007955200000000, 0.0000000000000000, 0.0010484300000000 ] - [ -0.0004555200000000, 0.0000000000000000, 0.0000779500000000 ] - [ 0.0050945600000000, 0.0000000000000000, -0.0080304500000000 ] - [ -0.0000630700000000, 0.0000000000000000, -0.0002765600000000 ] - [ 0.0048377900000000, -0.0064727200000000, -0.0017911200000000 ] - [ 0.0048377900000000, 0.0064727200000000, -0.0017911200000000 ] - [ 0.0005856000000000, -0.0000793500000000, 0.0008880900000000 ] - [ 0.0005856000000000, 0.0000793500000000, 0.0008880900000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001689300000000, -0.0010525600000000, 0.0003319200000000 ] - [ -0.0001465500000000, 0.0001829800000000, -0.0001353400000000 ] - [ 0.0083853200000000, 0.0002730500000000, -0.0115843500000000 ] - [ -0.0010764800000000, 0.0028109400000000, 0.0013636000000000 ] - [ -0.0005848400000000, 0.0027787300000000, -0.0001232800000000 ] - [ 0.0148086600000000, 0.0045936800000000, 0.0003485600000000 ] - [ 0.0001855300000000, -0.0001197500000000, -0.0000768000000000 ] - [ 0.0001559500000000, -0.0007302900000000, -0.0001063800000000 ] - [ 0.0096690100000000, 0.0034499300000000, 0.0103602500000000 ] - [ -0.0012836100000000, 0.0041020300000000, -0.0015689800000000 ] - [ 0.0001962300000000, 0.0000046300000000, -0.0001160200000000 ] - [ 0.0001796500000000, 0.0008594100000000, 0.0002668600000000 ] - [ -0.0003087000000000, -0.0009750400000000, -0.0006081000000000 ] - [ -0.0001170000000000, 0.0018151900000000, 0.0003580000000000 ] - [ -0.0003028400000000, -0.0007662000000000, 0.0000848900000000 ] - [ -0.0002663800000000, 0.0015081600000000, -0.0005026500000000 ] - [ -0.0143493300000000, 0.0054611800000000, -0.0005201200000000 ] - [ 0.0009407000000000, 0.0036308300000000, -0.0000567400000000 ] - [ 0.0001863500000000, 0.0001272200000000, -0.0000706300000000 ] - [ 0.0001571200000000, 0.0007326900000000, -0.0001016500000000 ] - [ -0.0001728000000000, -0.0002022000000000, -0.0001514800000000 ] - [ -0.0001945000000000, 0.0010398300000000, 0.0003131600000000 ] - [ -0.0087653200000000, 0.0010891300000000, 0.0118314800000000 ] - [ 0.0007253500000000, 0.0036632300000000, -0.0011716200000000 ] - [ -0.0000437500000000, -0.0018168300000000, 0.0004299800000000 ] - [ -0.0002233700000000, 0.0009578000000000, -0.0005397900000000 ] - [ -0.0000484700000000, -0.0016068900000000, -0.0002716900000000 ] - [ -0.0000739700000000, 0.0006517400000000, 0.0003283100000000 ] - [ 0.0016110500000000, 0.0032497400000000, 0.0017301900000000 ] - [ -0.0094091700000000, 0.0025434700000000, -0.0102441000000000 ] - [ 0.0001617100000000, 0.0000067400000000, -0.0000863900000000 ] - [ 0.0001482500000000, -0.0008521600000000, 0.0002950900000000 ] - [ -0.0022283100000000, 0.0010881600000000, 0.0042531900000000 ] - [ 0.0017597900000000, 0.0010814800000000, -0.0033215800000000 ] - [ -0.0000620500000000, 0.0000300300000000, -0.0003315200000000 ] - [ -0.0004131600000000, 0.0000266700000000, 0.0012914000000000 ] - [ 0.0002150700000000, -0.0051629400000000, -0.0004211100000000 ] - [ 0.0002395000000000, 0.0015956000000000, -0.0004825000000000 ] - [ 0.0002404700000000, -0.0005837300000000, -0.0004852100000000 ] - [ 0.0002366900000000, 0.0005497200000000, -0.0004758300000000 ] - [ 0.0002373300000000, -0.0003015100000000, 0.0004792000000000 ] - [ 0.0002374100000000, 0.0003182600000000, 0.0004779400000000 ] - [ 0.0002444500000000, -0.0037476900000000, 0.0004755400000000 ] - [ 0.0002366000000000, 0.0017919200000000, 0.0004795500000000 ] - [ -0.0008178200000000, 0.0014506600000000, -0.0015404000000000 ] - [ 0.0003436800000000, 0.0014473400000000, 0.0005874300000000 ] - [ -0.0001236200000000, -0.0000041000000000, -0.0001756600000000 ] - [ -0.0003511300000000, -0.0000057800000000, -0.0007807800000000 ] - [ 0.0004095600000000, 0.0178151200000000, -0.0004208800000000 ] - [ -0.0005502500000000, 0.0181116500000000, -0.0000229000000000 ] - [ 0.0000067900000000, 0.0000076700000000, -0.0002766300000000 ] - [ -0.0001223800000000, 0.0000052300000000, -0.0001712000000000 ] - [ 0.0000550500000000, -0.0004587200000000, 0.0002354700000000 ] - [ 0.0000579400000000, 0.0006038500000000, 0.0002227300000000 ] - [ 0.0000122400000000, -0.0080770400000000, 0.0001344400000000 ] - [ 0.0000599700000000, 0.0020771200000000, 0.0002285300000000 ] - [ 0.0000585900000000, -0.0022775000000000, -0.0002239600000000 ] - [ 0.0000576800000000, 0.0014067900000000, -0.0002283800000000 ] - [ 0.0000552000000000, -0.0029277200000000, -0.0002240600000000 ] - [ 0.0000558900000000, 0.0012796900000000, -0.0002209600000000 ] - [ -0.0000689100000000, 0.0012230300000000, 0.0017837000000000 ] - [ -0.0000447100000000, 0.0012177300000000, -0.0013412500000000 ] - [ 0.0001255500000000, -0.0000258300000000, -0.0001524200000000 ] - [ -0.0002419300000000, -0.0000291900000000, 0.0006023500000000 ] - [ -0.0012511500000000, -0.1555986400000000, -0.0028002800000000 ] - [ -0.0000936600000000, 0.0057078900000000, -0.0002305100000000 ] - [ -0.0000937100000000, -0.0004110300000000, -0.0002292400000000 ] - [ -0.0000947200000000, 0.0003962600000000, -0.0002302400000000 ] - [ 0.0000488500000000, -0.0000099100000000, 0.0010219300000000 ] - [ 0.0001414300000000, -0.0000153800000000, -0.0005626800000000 ] - [ -0.0015041400000000, 0.0015937400000000, -0.0034530800000000 ] - [ 0.0017051900000000, 0.0015900400000000, 0.0039383000000000 ] - [ 0.0005805100000000, 0.0007108500000000, 0.0018987600000000 ] - [ -0.0003910400000000, 0.0007050200000000, -0.0023623800000000 ] - [ 0.0009579000000000, 0.0007108900000000, -0.0018899700000000 ] - [ -0.0007699200000000, 0.0007051000000000, 0.0014323000000000 ] - [ -0.0000938800000000, -0.0042540300000000, 0.0002301100000000 ] - [ -0.0000949300000000, 0.0023129900000000, 0.0002284100000000 ] - [ -0.0000952500000000, -0.0004371900000000, 0.0002302000000000 ] - [ -0.0000951800000000, 0.0004838000000000, 0.0002320700000000 ] - [ -0.0038609900000000, 0.0031861300000000, -0.0029518500000000 ] - [ 0.0008936700000000, -0.0027677700000000, 0.0012431700000000 ] - [ -0.0002775400000000, 0.0011440800000000, 0.0007222400000000 ] - [ 0.0000482400000000, -0.0011314200000000, -0.0006337100000000 ] - [ -0.0008898100000000, -0.0027739200000000, -0.0012347700000000 ] - [ 0.0038583600000000, 0.0031980300000000, 0.0029521500000000 ] - [ -0.0000482500000000, -0.0011367500000000, 0.0006284800000000 ] - [ 0.0002823200000000, 0.0011480100000000, -0.0007216200000000 ] - [ 0.0000192000000000, 0.0006452200000000, -0.0002285600000000 ] - [ -0.0000186900000000, -0.0006486800000000, 0.0002316500000000 ] - [ -0.0054377500000000, 0.0429707200000000, -0.0114419000000000 ] - [ -0.0020721400000000, -0.0073944600000000, -0.0037223200000000 ] - [ 0.0000181200000000, -0.0006520400000000, -0.0002306300000000 ] - [ -0.0000211100000000, 0.0006541700000000, 0.0002233200000000 ] - [ 0.0020496400000000, -0.0073756200000000, 0.0036877000000000 ] - [ 0.0064190000000000, 0.0452509500000000, 0.0134847500000000 ] - [ -0.0002978700000000, 0.0113747900000000, 0.0003945800000000 ] - [ -0.0003133800000000, -0.0043130000000000, 0.0003946200000000 ] - [ -0.0003103500000000, 0.0005437600000000, 0.0003923100000000 ] - [ -0.0003105700000000, -0.0005289700000000, 0.0003933500000000 ] - [ 0.0005988100000000, -0.0000047800000000, -0.0016677900000000 ] - [ 0.0000227600000000, 0.0000003400000000, 0.0008813200000000 ] - [ -0.0020338800000000, -0.0033983200000000, 0.0024663000000000 ] - [ 0.0026636400000000, -0.0033806900000000, -0.0032715200000000 ] - [ 0.0017373800000000, -0.0000175100000000, -0.0021427100000000 ] - [ -0.0011214900000000, -0.0000028800000000, 0.0029394700000000 ] - [ 0.0011870100000000, 0.0000461000000000, 0.0027453200000000 ] - [ -0.0005698000000000, 0.0000594700000000, -0.0019663000000000 ] - [ -0.0001105300000000, 0.0268468900000000, 0.0000615900000000 ] - [ -0.0003085400000000, -0.0054380200000000, -0.0003845600000000 ] - [ -0.0003138400000000, 0.0008682300000000, -0.0003933800000000 ] - [ -0.0003103000000000, -0.0007568700000000, -0.0003964900000000 ] - [ -0.0015839500000000, -0.0079671900000000, -0.0101099300000000 ] - [ 0.0025586500000000, -0.0079594800000000, 0.0095340500000000 ] - [ 0.0001608400000000, -0.0000624800000000, 0.0002731600000000 ] - [ 0.0007556400000000, -0.0000584700000000, -0.0009470000000000 ] - [ -0.0004298300000000, 0.0019715800000000, 0.0003197100000000 ] - [ -0.0004606600000000, -0.0022204600000000, 0.0003399600000000 ] - [ -0.0004505400000000, 0.0011576800000000, 0.0003651500000000 ] - [ -0.0004595100000000, -0.0019792200000000, 0.0003302900000000 ] - [ -0.0004596700000000, 0.0011779900000000, -0.0003384300000000 ] - [ -0.0004591400000000, -0.0011644600000000, -0.0003328500000000 ] - [ -0.0004696400000000, 0.0150484300000000, -0.0003074000000000 ] - [ -0.0004537300000000, -0.0044726700000000, -0.0003402600000000 ] - [ 0.0024274800000000, -0.0054038500000000, -0.0008563700000000 ] - [ -0.0015163900000000, -0.0053917900000000, 0.0015309100000000 ] - [ 0.0002573200000000, -0.0000108900000000, 0.0003723400000000 ] - [ 0.0006594200000000, -0.0000066700000000, 0.0002983700000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001775500000000, 0.0001648800000000, 0.0017195200000000 ] - [ -0.0003091600000000, -0.0006960900000000, 0.0009394400000000 ] - [ -0.0115877800000000, -0.0125664800000000, 0.0105839500000000 ] - [ -0.0001502100000000, 0.0005736400000000, -0.0009205500000000 ] - [ 0.0003012500000000, -0.0007252900000000, -0.0016446200000000 ] - [ 0.0020908900000000, 0.0017183300000000, -0.0059926600000000 ] - [ -0.0001022500000000, -0.0004537600000000, 0.0009743100000000 ] - [ -0.0002829600000000, -0.0007499100000000, 0.0015200200000000 ] - [ 0.0084879100000000, 0.0108784600000000, 0.0058398700000000 ] - [ 0.0001560000000000, -0.0015688300000000, -0.0008765500000000 ] - [ 0.0003705200000000, -0.0002232700000000, 0.0015923900000000 ] - [ 0.0003475800000000, 0.0008209100000000, 0.0010009200000000 ] - [ -0.0023076300000000, -0.0014167400000000, 0.0006419300000000 ] - [ -0.0002679600000000, 0.0010945600000000, 0.0001005600000000 ] - [ 0.0021557100000000, 0.0035842900000000, 0.0031522300000000 ] - [ -0.0001984100000000, -0.0003487200000000, 0.0002104700000000 ] - [ 0.0020908900000000, -0.0017183300000000, -0.0059926600000000 ] - [ 0.0003012500000000, 0.0007252900000000, -0.0016446200000000 ] - [ -0.0002829600000000, 0.0007499100000000, 0.0015200200000000 ] - [ -0.0001022500000000, 0.0004537600000000, 0.0009743100000000 ] - [ -0.0001775500000000, -0.0001648800000000, 0.0017195200000000 ] - [ -0.0003091600000000, 0.0006960900000000, 0.0009394400000000 ] - [ -0.0115877800000000, 0.0125664800000000, 0.0105839500000000 ] - [ -0.0001502100000000, -0.0005736400000000, -0.0009205500000000 ] - [ -0.0023076300000000, 0.0014167400000000, 0.0006419300000000 ] - [ -0.0002679600000000, -0.0010945600000000, 0.0001005600000000 ] - [ 0.0021557100000000, -0.0035842900000000, 0.0031522300000000 ] - [ -0.0001984100000000, 0.0003487200000000, 0.0002104700000000 ] - [ 0.0001560000000000, 0.0015688300000000, -0.0008765500000000 ] - [ 0.0084879100000000, -0.0108784600000000, 0.0058398700000000 ] - [ 0.0003475800000000, -0.0008209100000000, 0.0010009200000000 ] - [ 0.0003705200000000, 0.0002232700000000, 0.0015923900000000 ] - [ -0.0012156000000000, 0.0025309700000000, 0.0003331000000000 ] - [ -0.0012156000000000, -0.0025309700000000, 0.0003331000000000 ] - [ -0.0009175100000000, -0.0007299600000000, 0.0020833200000000 ] - [ -0.0009175100000000, 0.0007299600000000, 0.0020833200000000 ] - [ -0.0081493700000000, 0.0000000000000000, 0.0201729900000000 ] - [ 0.0001186200000000, 0.0000000000000000, -0.0005000700000000 ] - [ -0.0017796100000000, 0.0000000000000000, 0.0048315100000000 ] - [ -0.0000783900000000, 0.0000000000000000, 0.0000345500000000 ] - [ 0.0010666700000000, 0.0000000000000000, 0.0027737400000000 ] - [ 0.0007451200000000, 0.0000000000000000, 0.0016066900000000 ] - [ -0.0025300700000000, 0.0000000000000000, -0.0034884100000000 ] - [ -0.0003839400000000, 0.0000000000000000, -0.0007112000000000 ] - [ -0.0016572500000000, -0.0008880700000000, -0.0032938900000000 ] - [ -0.0016572500000000, 0.0008880700000000, -0.0032938900000000 ] - [ 0.0004550900000000, 0.0001608800000000, 0.0012944300000000 ] - [ 0.0004550900000000, -0.0001608800000000, 0.0012944300000000 ] - [ -0.0016140600000000, 0.0015540100000000, -0.0072524100000000 ] - [ -0.0016140600000000, -0.0015540100000000, -0.0072524100000000 ] - [ 0.0003670700000000, 0.0000094300000000, 0.0019857200000000 ] - [ 0.0003670700000000, -0.0000094300000000, 0.0019857200000000 ] - [ -0.0004324500000000, 0.0000000000000000, 0.0058126200000000 ] - [ 0.0002724600000000, 0.0000000000000000, 0.0013777500000000 ] - [ 0.0257857700000000, 0.0000000000000000, 0.0412715100000000 ] - [ -0.0001182800000000, 0.0000000000000000, -0.0008268400000000 ] - [ 0.0007499700000000, 0.0000000000000000, 0.0021336400000000 ] - [ 0.0000507600000000, 0.0000000000000000, 0.0002274100000000 ] - [ -0.0015201200000000, 0.0000000000000000, 0.0024727000000000 ] - [ 0.0000645800000000, 0.0000000000000000, -0.0001890200000000 ] - [ 0.0014947000000000, 0.0008130300000000, -0.0025990800000000 ] - [ 0.0014947000000000, -0.0008130300000000, -0.0025990800000000 ] - [ -0.0004183300000000, -0.0005123700000000, 0.0025543100000000 ] - [ -0.0004183300000000, 0.0005123700000000, 0.0025543100000000 ] - [ -0.0930202800000000, 0.0000000000000000, -0.2817529800000000 ] - [ -0.0006156600000000, 0.0000000000000000, -0.0022183600000000 ] - [ 0.0004135500000000, 0.0000000000000000, 0.0028563300000000 ] - [ 0.0001536000000000, 0.0000000000000000, 0.0011850000000000 ] - [ 0.0003242200000000, 0.0007887500000000, 0.0020800600000000 ] - [ 0.0003242200000000, -0.0007887500000000, 0.0020800600000000 ] - [ 0.0005027300000000, -0.0036966900000000, -0.0010773400000000 ] - [ 0.0005027300000000, 0.0036966900000000, -0.0010773400000000 ] - [ 0.0005845400000000, 0.0016562500000000, 0.0012500100000000 ] - [ 0.0005845400000000, -0.0016562500000000, 0.0012500100000000 ] - [ -0.0007750400000000, -0.0021334000000000, 0.0012456000000000 ] - [ -0.0007750400000000, 0.0021334000000000, 0.0012456000000000 ] - [ 0.0015592700000000, 0.0000000000000000, -0.0027044700000000 ] - [ 0.0004174100000000, 0.0000000000000000, -0.0009932100000000 ] - [ -0.0003678300000000, 0.0000000000000000, 0.0029984000000000 ] - [ -0.0002964700000000, 0.0000000000000000, 0.0013873200000000 ] - [ -0.0040416200000000, -0.0009207200000000, -0.0008056200000000 ] - [ -0.0007044200000000, 0.0012066900000000, 0.0007445800000000 ] - [ -0.0005949400000000, 0.0011308600000000, -0.0034296900000000 ] - [ 0.0000698800000000, -0.0010835400000000, -0.0015336900000000 ] - [ -0.0007044200000000, -0.0012066900000000, 0.0007445800000000 ] - [ -0.0040416200000000, 0.0009207200000000, -0.0008056200000000 ] - [ 0.0000698800000000, 0.0010835400000000, -0.0015336900000000 ] - [ -0.0005949400000000, -0.0011308600000000, -0.0034296900000000 ] - [ -0.0002604300000000, -0.0010458700000000, -0.0037645100000000 ] - [ -0.0000857800000000, 0.0002906100000000, -0.0022013300000000 ] - [ 0.0089506100000000, -0.0147392600000000, 0.0401710500000000 ] - [ 0.0006875400000000, -0.0008328100000000, 0.0038064600000000 ] - [ -0.0000857800000000, -0.0002906100000000, -0.0022013300000000 ] - [ -0.0002604300000000, 0.0010458700000000, -0.0037645100000000 ] - [ 0.0006875400000000, 0.0008328100000000, 0.0038064600000000 ] - [ 0.0089506100000000, 0.0147392600000000, 0.0401710500000000 ] - [ -0.0013625400000000, 0.0000000000000000, 0.0104943700000000 ] - [ -0.0004274600000000, 0.0000000000000000, 0.0027551900000000 ] - [ -0.0000554100000000, 0.0000000000000000, -0.0033763700000000 ] - [ -0.0002851200000000, 0.0000000000000000, -0.0015008100000000 ] - [ 0.0001677700000000, -0.0008458600000000, -0.0029285200000000 ] - [ 0.0001677700000000, 0.0008458600000000, -0.0029285200000000 ] - [ 0.0030874400000000, 0.0060991200000000, 0.0022527000000000 ] - [ 0.0030874400000000, -0.0060991200000000, 0.0022527000000000 ] - [ 0.0011451700000000, -0.0024722500000000, -0.0013591300000000 ] - [ 0.0011451700000000, 0.0024722500000000, -0.0013591300000000 ] - [ 0.0005101200000000, 0.0029197100000000, -0.0011176200000000 ] - [ 0.0005101200000000, -0.0029197100000000, -0.0011176200000000 ] - [ 0.0458335200000000, 0.0000000000000000, 0.1277978800000000 ] - [ 0.0003608500000000, 0.0000000000000000, 0.0013913600000000 ] - [ 0.0006039000000000, 0.0000000000000000, -0.0048125900000000 ] - [ -0.0004838800000000, 0.0000000000000000, -0.0019836700000000 ] - [ 0.0033126000000000, -0.0101686200000000, 0.0045438300000000 ] - [ 0.0033126000000000, 0.0101686200000000, 0.0045438300000000 ] - [ 0.0004549800000000, 0.0008652600000000, -0.0034834000000000 ] - [ 0.0004549800000000, -0.0008652600000000, -0.0034834000000000 ] - [ 0.0098657300000000, 0.0000000000000000, -0.0080318700000000 ] - [ -0.0006380000000000, 0.0000000000000000, -0.0006620100000000 ] - [ -0.0033991500000000, 0.0000000000000000, -0.0124502800000000 ] - [ 0.0000318200000000, 0.0000000000000000, 0.0003705000000000 ] - [ -0.0010189100000000, 0.0000000000000000, -0.0046671800000000 ] - [ -0.0006847700000000, 0.0000000000000000, -0.0019019500000000 ] - [ 0.0111573100000000, 0.0000000000000000, -0.0033134300000000 ] - [ 0.0002532300000000, 0.0000000000000000, 0.0007483600000000 ] - [ 0.0001092900000000, 0.0009823000000000, 0.0051503800000000 ] - [ 0.0001092900000000, -0.0009823000000000, 0.0051503800000000 ] - [ 0.0006070900000000, -0.0000871600000000, -0.0027981100000000 ] - [ 0.0006070900000000, 0.0000871600000000, -0.0027981100000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001686500000000, -0.0010245700000000, -0.0015454600000000 ] - [ -0.0000328800000000, -0.0001559000000000, -0.0007602700000000 ] - [ 0.0111357900000000, 0.0115695900000000, -0.0103196200000000 ] - [ -0.0001891300000000, -0.0014302300000000, 0.0010905100000000 ] - [ 0.0000359900000000, -0.0001173000000000, 0.0014697300000000 ] - [ -0.0018854900000000, -0.0026734700000000, 0.0058163800000000 ] - [ 0.0004451100000000, -0.0004036400000000, -0.0011545500000000 ] - [ 0.0006286000000000, -0.0000997600000000, -0.0017025100000000 ] - [ -0.0082536100000000, -0.0101258100000000, -0.0056946800000000 ] - [ 0.0001929700000000, 0.0024307900000000, 0.0010702300000000 ] - [ -0.0000289400000000, 0.0010754100000000, -0.0014176700000000 ] - [ -0.0000077000000000, 0.0000367400000000, -0.0008258300000000 ] - [ 0.0019891900000000, 0.0022891200000000, -0.0008178500000000 ] - [ -0.0000714300000000, -0.0002432700000000, -0.0002747400000000 ] - [ -0.0024841500000000, -0.0027057900000000, -0.0033165800000000 ] - [ -0.0001465900000000, 0.0012007900000000, -0.0003943600000000 ] - [ -0.0018854900000000, 0.0026734700000000, 0.0058163800000000 ] - [ 0.0000359900000000, 0.0001173000000000, 0.0014697300000000 ] - [ 0.0006286000000000, 0.0000997600000000, -0.0017025100000000 ] - [ 0.0004451100000000, 0.0004036400000000, -0.0011545500000000 ] - [ -0.0001686500000000, 0.0010245700000000, -0.0015454600000000 ] - [ -0.0000328800000000, 0.0001559000000000, -0.0007602700000000 ] - [ 0.0111357900000000, -0.0115695900000000, -0.0103196200000000 ] - [ -0.0001891300000000, 0.0014302300000000, 0.0010905100000000 ] - [ 0.0019891900000000, -0.0022891200000000, -0.0008178500000000 ] - [ -0.0000714300000000, 0.0002432700000000, -0.0002747400000000 ] - [ -0.0024841500000000, 0.0027057900000000, -0.0033165800000000 ] - [ -0.0001465900000000, -0.0012007900000000, -0.0003943600000000 ] - [ 0.0001929700000000, -0.0024307900000000, 0.0010702300000000 ] - [ -0.0082536100000000, 0.0101258100000000, -0.0056946800000000 ] - [ -0.0000077000000000, -0.0000367400000000, -0.0008258300000000 ] - [ -0.0000289400000000, -0.0010754100000000, -0.0014176700000000 ] - [ 0.0007401700000000, -0.0025512600000000, 0.0006386400000000 ] - [ 0.0007401700000000, 0.0025512600000000, 0.0006386400000000 ] - [ 0.0004434100000000, 0.0007272600000000, -0.0011324500000000 ] - [ 0.0004434100000000, -0.0007272600000000, -0.0011324500000000 ] - [ 0.0087066300000000, 0.0000000000000000, -0.0214279200000000 ] - [ 0.0003529200000000, 0.0000000000000000, -0.0004492700000000 ] - [ 0.0022448900000000, 0.0000000000000000, -0.0057762000000000 ] - [ 0.0005559000000000, 0.0000000000000000, -0.0009976500000000 ] - [ -0.0005930000000000, 0.0000000000000000, -0.0018219600000000 ] - [ -0.0002696400000000, 0.0000000000000000, -0.0006484700000000 ] - [ 0.0030076200000000, 0.0000000000000000, 0.0044252100000000 ] - [ 0.0008571300000000, 0.0000000000000000, 0.0016658400000000 ] - [ 0.0011640300000000, 0.0008985500000000, 0.0023282100000000 ] - [ 0.0011640300000000, -0.0008985500000000, 0.0023282100000000 ] - [ -0.0009311400000000, -0.0001631500000000, -0.0022534700000000 ] - [ -0.0009311400000000, 0.0001631500000000, -0.0022534700000000 ] - [ 0.0015119000000000, -0.0014592600000000, 0.0068408600000000 ] - [ 0.0015119000000000, 0.0014592600000000, 0.0068408600000000 ] - [ -0.0004838500000000, -0.0000118200000000, -0.0024393600000000 ] - [ -0.0004838500000000, 0.0000118200000000, -0.0024393600000000 ] - [ 0.0005559100000000, 0.0000000000000000, -0.0054011400000000 ] - [ -0.0001562300000000, 0.0000000000000000, -0.0009271400000000 ] - [ -0.0251519400000000, 0.0000000000000000, -0.0401858800000000 ] - [ 0.0002317700000000, 0.0000000000000000, 0.0012662200000000 ] - [ -0.0006411200000000, 0.0000000000000000, -0.0025821600000000 ] - [ 0.0000637700000000, 0.0000000000000000, -0.0006703000000000 ] - [ 0.0016409100000000, 0.0000000000000000, -0.0029354400000000 ] - [ 0.0000535900000000, 0.0000000000000000, -0.0002695100000000 ] - [ -0.0016246200000000, -0.0008119700000000, 0.0030749900000000 ] - [ -0.0016246200000000, 0.0008119700000000, 0.0030749900000000 ] - [ 0.0003049200000000, 0.0005091200000000, -0.0021096500000000 ] - [ 0.0003049200000000, -0.0005091200000000, -0.0021096500000000 ] - [ 0.0956537100000000, 0.0000000000000000, 0.2869731100000000 ] - [ 0.0004274900000000, 0.0000000000000000, 0.0017603000000000 ] - [ -0.0006062400000000, 0.0000000000000000, -0.0033237700000000 ] - [ -0.0003436000000000, 0.0000000000000000, -0.0016491700000000 ] - [ -0.0001348000000000, -0.0007960100000000, -0.0016217400000000 ] - [ -0.0001348000000000, 0.0007960100000000, -0.0016217400000000 ] - [ -0.0003164400000000, 0.0036939400000000, 0.0015178200000000 ] - [ -0.0003164400000000, -0.0036939400000000, 0.0015178200000000 ] - [ -0.0003972200000000, -0.0016666100000000, -0.0017081200000000 ] - [ -0.0003972200000000, 0.0016666100000000, -0.0017081200000000 ] - [ 0.0009645500000000, 0.0021278100000000, -0.0017123800000000 ] - [ 0.0009645500000000, -0.0021278100000000, -0.0017123800000000 ] - [ -0.0017652800000000, 0.0000000000000000, 0.0031977400000000 ] - [ -0.0006097800000000, 0.0000000000000000, 0.0014646900000000 ] - [ 0.0001811100000000, 0.0000000000000000, -0.0025421800000000 ] - [ 0.0001075000000000, 0.0000000000000000, -0.0009317000000000 ] - [ 0.0040569500000000, 0.0009267300000000, 0.0007903900000000 ] - [ 0.0007056700000000, -0.0012107500000000, -0.0007598600000000 ] - [ 0.0005881100000000, -0.0011303000000000, 0.0034366500000000 ] - [ -0.0000701900000000, 0.0010799000000000, 0.0015431500000000 ] - [ 0.0007056700000000, 0.0012107500000000, -0.0007598600000000 ] - [ 0.0040569500000000, -0.0009267300000000, 0.0007903900000000 ] - [ -0.0000701900000000, -0.0010799000000000, 0.0015431500000000 ] - [ 0.0005881100000000, 0.0011303000000000, 0.0034366500000000 ] - [ 0.0002626700000000, 0.0010565400000000, 0.0037772700000000 ] - [ 0.0000865100000000, -0.0002952400000000, 0.0022047400000000 ] - [ -0.0083799000000000, 0.0132488800000000, -0.0393751800000000 ] - [ -0.0006787300000000, 0.0008498900000000, -0.0037825100000000 ] - [ 0.0000865100000000, 0.0002952400000000, 0.0022047400000000 ] - [ 0.0002626700000000, -0.0010565400000000, 0.0037772700000000 ] - [ -0.0006787300000000, -0.0008498900000000, -0.0037825100000000 ] - [ -0.0083799000000000, -0.0132488800000000, -0.0393751800000000 ] - [ 0.0008082200000000, 0.0000000000000000, -0.0097223000000000 ] - [ -0.0001871400000000, 0.0000000000000000, -0.0019752400000000 ] - [ -0.0005690000000000, 0.0000000000000000, 0.0041725100000000 ] - [ -0.0003373800000000, 0.0000000000000000, 0.0022922500000000 ] - [ 0.0004556400000000, 0.0008540000000000, 0.0021430100000000 ] - [ 0.0004556400000000, -0.0008540000000000, 0.0021430100000000 ] - [ -0.0024719400000000, -0.0061008100000000, -0.0030128500000000 ] - [ -0.0024719400000000, 0.0061008100000000, -0.0030128500000000 ] - [ -0.0005290200000000, 0.0024936800000000, 0.0021444800000000 ] - [ -0.0005290200000000, -0.0024936800000000, 0.0021444800000000 ] - [ 0.0001160200000000, -0.0029067700000000, 0.0019212800000000 ] - [ 0.0001160200000000, 0.0029067700000000, 0.0019212800000000 ] - [ -0.0503898900000000, 0.0000000000000000, -0.1363827600000000 ] - [ -0.0009847100000000, 0.0000000000000000, -0.0022005200000000 ] - [ -0.0012200100000000, 0.0000000000000000, 0.0040291900000000 ] - [ -0.0001378800000000, 0.0000000000000000, 0.0012023500000000 ] - [ -0.0024122400000000, 0.0102392600000000, -0.0052959200000000 ] - [ -0.0024122400000000, -0.0102392600000000, -0.0052959200000000 ] - [ 0.0004623000000000, -0.0008608500000000, 0.0028188200000000 ] - [ 0.0004623000000000, 0.0008608500000000, 0.0028188200000000 ] - [ -0.0108645800000000, 0.0000000000000000, 0.0087490600000000 ] - [ -0.0002775500000000, 0.0000000000000000, 0.0013274300000000 ] - [ 0.0024978400000000, 0.0000000000000000, 0.0131287300000000 ] - [ -0.0009466700000000, 0.0000000000000000, 0.0003153100000000 ] - [ 0.0001088700000000, 0.0000000000000000, 0.0040063600000000 ] - [ -0.0002305700000000, 0.0000000000000000, 0.0012262400000000 ] - [ -0.0120700600000000, 0.0000000000000000, 0.0026926600000000 ] - [ -0.0011743000000000, 0.0000000000000000, -0.0014087200000000 ] - [ 0.0008351700000000, -0.0010314800000000, -0.0045087500000000 ] - [ 0.0008351700000000, 0.0010314800000000, -0.0045087500000000 ] - [ 0.0003083900000000, 0.0000923900000000, 0.0034762800000000 ] - [ 0.0003083900000000, -0.0000923900000000, 0.0034762800000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0041679100000000, -0.0002091000000000, 0.0046446400000000 ] - [ -0.0006738800000000, -0.0002356000000000, 0.0003754000000000 ] - [ 0.0007259500000000, -0.0007355900000000, -0.0008937400000000 ] - [ 0.0000486200000000, -0.0003519500000000, 0.0000076200000000 ] - [ -0.0029770200000000, -0.0022200900000000, 0.0021556600000000 ] - [ -0.0016357700000000, 0.0003571300000000, 0.0010167400000000 ] - [ 0.0007664500000000, -0.0006842300000000, -0.0004331100000000 ] - [ 0.0008376500000000, 0.0000184500000000, -0.0006296800000000 ] - [ 0.0179469100000000, 0.0029563000000000, 0.0059294800000000 ] - [ 0.0002130100000000, 0.0004803000000000, -0.0000638300000000 ] - [ 0.0000844600000000, 0.0004282700000000, 0.0001498600000000 ] - [ 0.0001795700000000, 0.0004393800000000, 0.0001496700000000 ] - [ 0.0001607100000000, 0.0076330200000000, -0.0007468900000000 ] - [ 0.0003542100000000, -0.0032252800000000, -0.0012849800000000 ] - [ -0.0001820100000000, 0.0003965200000000, -0.0000266800000000 ] - [ -0.0002059000000000, 0.0004532200000000, -0.0000340300000000 ] - [ -0.0038507400000000, 0.0006534900000000, 0.0044573000000000 ] - [ -0.0003368200000000, 0.0006213500000000, 0.0001981000000000 ] - [ 0.0010629500000000, 0.0001199300000000, -0.0010669800000000 ] - [ 0.0003882000000000, 0.0005036200000000, -0.0001697200000000 ] - [ -0.0032871900000000, -0.0013519100000000, 0.0023091700000000 ] - [ -0.0019509500000000, 0.0012063400000000, 0.0011842700000000 ] - [ 0.0004321200000000, 0.0001714300000000, -0.0002547800000000 ] - [ 0.0004997400000000, 0.0008759000000000, -0.0004513300000000 ] - [ 0.0152087800000000, 0.0022440200000000, 0.0044497500000000 ] - [ -0.0001328700000000, -0.0003748600000000, -0.0002456800000000 ] - [ -0.0002594100000000, -0.0004266900000000, -0.0000309300000000 ] - [ -0.0001615200000000, -0.0004162200000000, -0.0000302900000000 ] - [ 0.0005262900000000, 0.0068200900000000, -0.0005605500000000 ] - [ 0.0007153000000000, -0.0040968800000000, -0.0011022600000000 ] - [ 0.0001590600000000, -0.0004591400000000, 0.0001515700000000 ] - [ 0.0001371800000000, -0.0004021700000000, 0.0001439000000000 ] - [ -0.0161777100000000, 0.0015685600000000, 0.0078100200000000 ] - [ -0.0017358100000000, 0.0003256700000000, 0.0011987700000000 ] - [ -0.0003029900000000, -0.0000129800000000, 0.0004639000000000 ] - [ -0.0003066500000000, 0.0000089400000000, 0.0005568500000000 ] - [ -0.0157123500000000, 0.0015374300000000, 0.0068739300000000 ] - [ -0.0012652000000000, 0.0003325200000000, 0.0002463400000000 ] - [ 0.0001711200000000, -0.0000133600000000, -0.0004922100000000 ] - [ 0.0001672700000000, 0.0000091100000000, -0.0003988200000000 ] - [ 0.0039974200000000, 0.0005009700000000, 0.0045795800000000 ] - [ 0.0007531200000000, 0.0002163800000000, 0.0010069700000000 ] - [ 0.0022657300000000, -0.0002122800000000, 0.0027734400000000 ] - [ 0.0008147900000000, -0.0001123000000000, 0.0008981500000000 ] - [ 0.0035342800000000, 0.0005032800000000, 0.0036417200000000 ] - [ 0.0002814300000000, 0.0002187900000000, 0.0000533200000000 ] - [ 0.0017827600000000, -0.0002100800000000, 0.0017990400000000 ] - [ 0.0003380000000000, -0.0001114700000000, -0.0000604700000000 ] - [ -0.0063653000000000, 0.0052805000000000, -0.0070167100000000 ] - [ -0.0007032800000000, -0.0005360200000000, -0.0006310800000000 ] - [ -0.0009370300000000, 0.0002895100000000, -0.0005000900000000 ] - [ -0.0003586600000000, -0.0000979000000000, -0.0001138800000000 ] - [ -0.0062375000000000, 0.0052819100000000, -0.0065531800000000 ] - [ -0.0005862400000000, -0.0005346900000000, -0.0001796800000000 ] - [ -0.0008247300000000, 0.0002863600000000, -0.0000579500000000 ] - [ -0.0002449700000000, -0.0000987000000000, 0.0003334600000000 ] - [ 0.0196497400000000, 0.0032747800000000, -0.0058386400000000 ] - [ 0.0007601000000000, 0.0019901700000000, -0.0003154800000000 ] - [ 0.0003240500000000, -0.0000748600000000, -0.0000189400000000 ] - [ 0.0001793800000000, 0.0000657900000000, -0.0001911500000000 ] - [ 0.0194415200000000, 0.0029983700000000, -0.0051634700000000 ] - [ 0.0006429400000000, 0.0020064700000000, 0.0001283500000000 ] - [ 0.0002072000000000, -0.0000741700000000, 0.0004268600000000 ] - [ 0.0000639800000000, 0.0000655200000000, 0.0002568600000000 ] - [ -0.0048669700000000, -0.0038633300000000, -0.0042875800000000 ] - [ -0.0010624900000000, 0.0008931400000000, -0.0009370000000000 ] - [ -0.0013715700000000, -0.0002817800000000, -0.0008184400000000 ] - [ -0.0003507900000000, 0.0000478600000000, -0.0001594800000000 ] - [ -0.0046678200000000, -0.0038562900000000, -0.0038108600000000 ] - [ -0.0008696800000000, 0.0008900600000000, -0.0004729900000000 ] - [ -0.0011859100000000, -0.0002777700000000, -0.0003652800000000 ] - [ -0.0001636200000000, 0.0000482500000000, 0.0002997700000000 ] - [ 0.0227637500000000, -0.0059464700000000, -0.0089114300000000 ] - [ 0.0014873200000000, -0.0020546400000000, -0.0009106600000000 ] - [ 0.0003021000000000, 0.0000202800000000, 0.0000329000000000 ] - [ 0.0001740200000000, -0.0000188400000000, -0.0001427900000000 ] - [ 0.0226434500000000, -0.0058924800000000, -0.0084134800000000 ] - [ 0.0013026300000000, -0.0020668200000000, -0.0004553700000000 ] - [ 0.0001127600000000, 0.0000199100000000, 0.0004899500000000 ] - [ -0.0000149400000000, -0.0000188700000000, 0.0003149500000000 ] - [ -0.1534947000000000, 0.0036525600000000, 0.0140971100000000 ] - [ -0.0022147300000000, -0.0002032200000000, 0.0018495400000000 ] - [ -0.0000641900000000, -0.0000492500000000, -0.0001889700000000 ] - [ -0.0000440800000000, -0.0000464100000000, -0.0000977700000000 ] - [ -0.0142190600000000, 0.0003658600000000, 0.0085573700000000 ] - [ -0.0142114200000000, 0.0002393100000000, 0.0085652900000000 ] - [ -0.0000391700000000, 0.0000488500000000, -0.0001365600000000 ] - [ -0.0000390600000000, 0.0000484400000000, -0.0001367500000000 ] - [ 0.0054355600000000, 0.0005332600000000, 0.0023334000000000 ] - [ 0.0006660600000000, -0.0001589400000000, 0.0003945900000000 ] - [ 0.0054377400000000, 0.0005341500000000, 0.0023504200000000 ] - [ 0.0006696700000000, -0.0001596300000000, 0.0003975500000000 ] - [ 0.0016804800000000, 0.0014469200000000, 0.0010129700000000 ] - [ 0.0027639800000000, -0.0019699600000000, 0.0014717100000000 ] - [ 0.0027764800000000, -0.0019810200000000, 0.0014788700000000 ] - [ 0.0016892700000000, 0.0014584400000000, 0.0010196600000000 ] - [ 0.0013822400000000, -0.0036974900000000, -0.0098031200000000 ] - [ -0.0004102900000000, 0.0015773100000000, -0.0005581300000000 ] - [ -0.0024438000000000, -0.0003538700000000, 0.0008569900000000 ] - [ -0.0008743900000000, 0.0000905300000000, 0.0001689900000000 ] - [ 0.0019487500000000, -0.0037197300000000, -0.0105812800000000 ] - [ 0.0002112300000000, 0.0015657700000000, -0.0013402800000000 ] - [ -0.0018321700000000, -0.0003544400000000, 0.0000697000000000 ] - [ -0.0002562800000000, 0.0000909900000000, -0.0006197500000000 ] - [ 0.0213359400000000, 0.0227816300000000, 0.0040695900000000 ] - [ 0.0022851000000000, -0.0026431800000000, 0.0003913500000000 ] - [ 0.0004692400000000, 0.0000063700000000, 0.0003264100000000 ] - [ 0.0003540100000000, -0.0000071200000000, 0.0002667400000000 ] - [ 0.0208322100000000, 0.0229184600000000, 0.0033983900000000 ] - [ 0.0016651700000000, -0.0026614200000000, -0.0003942800000000 ] - [ -0.0001551700000000, 0.0000069200000000, -0.0004642800000000 ] - [ -0.0002683200000000, -0.0000077500000000, -0.0005217400000000 ] - [ 0.0276543500000000, -0.0308922100000000, 0.0056922900000000 ] - [ 0.0029140300000000, 0.0016660700000000, -0.0005575300000000 ] - [ 0.0005604200000000, 0.0000177700000000, -0.0004887100000000 ] - [ 0.0005003000000000, -0.0000167000000000, -0.0005132900000000 ] - [ 0.0265836400000000, -0.0307708300000000, 0.0062110800000000 ] - [ 0.0019995200000000, 0.0016563400000000, 0.0001077800000000 ] - [ -0.0003529900000000, 0.0000179700000000, 0.0001857400000000 ] - [ -0.0004151000000000, -0.0000170700000000, 0.0001582000000000 ] - [ 0.0026394800000000, 0.0039835800000000, -0.0166619700000000 ] - [ -0.0002817800000000, -0.0015248600000000, -0.0016506800000000 ] - [ -0.0024970200000000, 0.0006375300000000, -0.0001681800000000 ] - [ -0.0012118400000000, -0.0003254000000000, -0.0004909700000000 ] - [ 0.0036161900000000, 0.0039382400000000, -0.0160246800000000 ] - [ 0.0006395200000000, -0.0015383200000000, -0.0009861200000000 ] - [ -0.0015671100000000, 0.0006363900000000, 0.0005059900000000 ] - [ -0.0002917900000000, -0.0003243600000000, 0.0001816400000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0015550500000000, 0.0104785900000000, 0.0017005400000000 ] - [ 0.0002348000000000, -0.0042059800000000, -0.0001916400000000 ] - [ -0.0005354700000000, 0.0019515300000000, 0.0002623600000000 ] - [ -0.0000285900000000, -0.0021724500000000, 0.0000754800000000 ] - [ -0.0048491600000000, -0.0046518900000000, 0.0060488500000000 ] - [ 0.0037785300000000, -0.0041168700000000, -0.0043368300000000 ] - [ -0.0003623000000000, -0.0004013700000000, -0.0006914000000000 ] - [ 0.0004711200000000, -0.0010757100000000, 0.0006581500000000 ] - [ 0.0004681700000000, 0.0246879000000000, 0.0002871200000000 ] - [ 0.0005000000000000, -0.0049789200000000, 0.0001390900000000 ] - [ 0.0001538700000000, 0.0015559700000000, 0.0001421600000000 ] - [ 0.0002683000000000, -0.0005533600000000, 0.0002002800000000 ] - [ 0.0065012600000000, -0.0036568400000000, 0.0036342200000000 ] - [ -0.0067355800000000, -0.0062914500000000, -0.0033226100000000 ] - [ -0.0000450900000000, 0.0004930500000000, -0.0002341300000000 ] - [ -0.0002167300000000, 0.0002151000000000, 0.0002179200000000 ] - [ -0.0011976800000000, 0.0113303500000000, 0.0015037800000000 ] - [ 0.0005764600000000, -0.0033485500000000, -0.0003747000000000 ] - [ -0.0001892700000000, 0.0028046200000000, 0.0000802300000000 ] - [ 0.0003119900000000, -0.0013157800000000, -0.0001014000000000 ] - [ -0.0051768100000000, -0.0037863400000000, 0.0062137400000000 ] - [ 0.0034550500000000, -0.0032705900000000, -0.0041647500000000 ] - [ -0.0007023800000000, 0.0004594900000000, -0.0005101900000000 ] - [ 0.0001280300000000, -0.0002237600000000, 0.0008397900000000 ] - [ 0.0003243400000000, 0.0238366100000000, 0.0002158000000000 ] - [ 0.0001631100000000, -0.0058341300000000, -0.0000394400000000 ] - [ -0.0001877300000000, 0.0007010700000000, -0.0000376900000000 ] - [ -0.0000721300000000, -0.0014095800000000, 0.0000195200000000 ] - [ 0.0067946700000000, -0.0045154600000000, 0.0037941600000000 ] - [ -0.0064335600000000, -0.0071667700000000, -0.0031595600000000 ] - [ 0.0002943200000000, -0.0003647900000000, -0.0000559700000000 ] - [ 0.0001250100000000, -0.0006389700000000, 0.0003960600000000 ] - [ -0.0005233900000000, 0.0029423100000000, 0.0001493400000000 ] - [ -0.0005706100000000, -0.0028510300000000, 0.0005014800000000 ] - [ -0.0003091800000000, 0.0003389300000000, 0.0005846800000000 ] - [ -0.0003050900000000, -0.0003377100000000, 0.0006566000000000 ] - [ -0.0000627600000000, 0.0029829000000000, -0.0008012900000000 ] - [ -0.0000956800000000, -0.0028510800000000, -0.0004542700000000 ] - [ 0.0001651300000000, 0.0003392900000000, -0.0003712200000000 ] - [ 0.0001689000000000, -0.0003381400000000, -0.0002992200000000 ] - [ 0.0033568100000000, 0.0017856200000000, 0.0095887200000000 ] - [ -0.0005280700000000, -0.0016954800000000, -0.0012650900000000 ] - [ -0.0019382700000000, 0.0016459700000000, -0.0059085900000000 ] - [ 0.0010001900000000, -0.0015830500000000, 0.0018388400000000 ] - [ 0.0028740600000000, 0.0017835300000000, 0.0086140600000000 ] - [ -0.0010011600000000, -0.0016927000000000, -0.0022248400000000 ] - [ -0.0024086700000000, 0.0016467200000000, -0.0068564300000000 ] - [ 0.0005269600000000, -0.0015821900000000, 0.0008862200000000 ] - [ 0.0001476200000000, 0.0024399500000000, 0.0012204300000000 ] - [ -0.0006448100000000, -0.0023423700000000, -0.0019417500000000 ] - [ -0.0000807300000000, 0.0012951900000000, -0.0006825400000000 ] - [ -0.0000747800000000, -0.0013350600000000, 0.0009443800000000 ] - [ 0.0002494300000000, 0.0024715900000000, 0.0016422600000000 ] - [ -0.0005235900000000, -0.0023432200000000, -0.0014845200000000 ] - [ 0.0000369400000000, 0.0012943100000000, -0.0002325200000000 ] - [ 0.0000396800000000, -0.0013375200000000, 0.0013902400000000 ] - [ 0.0036141700000000, 0.0319813400000000, -0.0038830500000000 ] - [ 0.0007083800000000, -0.0068897100000000, -0.0013788000000000 ] - [ -0.0002824900000000, 0.0006126800000000, -0.0012028900000000 ] - [ 0.0000855900000000, -0.0006139200000000, 0.0002882200000000 ] - [ 0.0026697300000000, 0.0303088700000000, -0.0021723100000000 ] - [ 0.0005978800000000, -0.0068862000000000, -0.0009446400000000 ] - [ -0.0003966800000000, 0.0006118700000000, -0.0007545500000000 ] - [ -0.0000288700000000, -0.0006131500000000, 0.0007376200000000 ] - [ -0.0000952100000000, 0.0032022000000000, -0.0011446400000000 ] - [ 0.0001129000000000, -0.0027720100000000, 0.0009768700000000 ] - [ -0.0002163900000000, 0.0011446600000000, 0.0009006900000000 ] - [ 0.0000040600000000, -0.0011352700000000, -0.0013093800000000 ] - [ 0.0000847200000000, 0.0031817500000000, -0.0007032800000000 ] - [ 0.0003056900000000, -0.0027698500000000, 0.0014415200000000 ] - [ -0.0000257700000000, 0.0011454000000000, 0.0013614300000000 ] - [ 0.0001910400000000, -0.0011326300000000, -0.0008535100000000 ] - [ -0.0059152200000000, 0.0429639900000000, 0.0128524500000000 ] - [ -0.0001108100000000, -0.0073876400000000, 0.0006182900000000 ] - [ 0.0002755000000000, 0.0006490300000000, 0.0008223900000000 ] - [ 0.0000643800000000, -0.0006511000000000, -0.0005217500000000 ] - [ -0.0069684300000000, 0.0452587800000000, 0.0151541800000000 ] - [ -0.0002938600000000, -0.0073820000000000, 0.0010652700000000 ] - [ 0.0000882400000000, 0.0006498300000000, 0.0012796800000000 ] - [ -0.0001236000000000, -0.0006520000000000, -0.0000645100000000 ] - [ 0.0036506200000000, -0.2411421500000000, -0.0177962400000000 ] - [ -0.0002035200000000, 0.0097645800000000, -0.0000621600000000 ] - [ -0.0000491300000000, -0.0021108900000000, -0.0001074200000000 ] - [ -0.0000464300000000, 0.0014757000000000, -0.0001556000000000 ] - [ -0.0003030800000000, 0.0423603700000000, -0.0002094800000000 ] - [ -0.0003023100000000, 0.0429047800000000, -0.0001946400000000 ] - [ -0.0000486200000000, 0.0003170300000000, -0.0001317100000000 ] - [ -0.0000486600000000, 0.0003156200000000, -0.0001319000000000 ] - [ 0.0005405300000000, -0.0035392700000000, -0.0006409300000000 ] - [ -0.0001597900000000, 0.0036426500000000, 0.0002131700000000 ] - [ 0.0005266900000000, -0.0035414000000000, -0.0006526500000000 ] - [ -0.0001590800000000, 0.0036431200000000, 0.0002190100000000 ] - [ -0.0014537300000000, -0.0005440100000000, 0.0023141800000000 ] - [ 0.0019754100000000, 0.0004004800000000, -0.0027288000000000 ] - [ 0.0019754000000000, 0.0004134700000000, -0.0027320300000000 ] - [ -0.0014520500000000, -0.0005544700000000, 0.0023119400000000 ] - [ -0.0094391100000000, -0.0056545700000000, 0.0201013400000000 ] - [ 0.0001033000000000, 0.0064743000000000, -0.0025076400000000 ] - [ -0.0027227100000000, -0.0016219900000000, -0.0026163100000000 ] - [ 0.0004379500000000, 0.0016467500000000, 0.0018044300000000 ] - [ -0.0088108000000000, -0.0056657900000000, 0.0192947100000000 ] - [ 0.0007309200000000, 0.0064639200000000, -0.0033041600000000 ] - [ -0.0020930500000000, -0.0016168300000000, -0.0034055100000000 ] - [ 0.0010609000000000, 0.0016451500000000, 0.0010203400000000 ] - [ 0.0119501700000000, -0.0068103500000000, 0.0086317000000000 ] - [ -0.0011732300000000, 0.0070715200000000, -0.0006899400000000 ] - [ 0.0003252400000000, -0.0008289300000000, -0.0004015500000000 ] - [ 0.0004848600000000, 0.0008281200000000, 0.0008103000000000 ] - [ 0.0113739200000000, -0.0069167700000000, 0.0078573900000000 ] - [ -0.0017827500000000, 0.0070603400000000, -0.0014733000000000 ] - [ -0.0002961400000000, -0.0008300800000000, -0.0011890200000000 ] - [ -0.0001374400000000, 0.0008289300000000, 0.0000210800000000 ] - [ -0.0111211700000000, -0.0054500400000000, -0.0085801000000000 ] - [ 0.0026617800000000, 0.0083287400000000, 0.0014138200000000 ] - [ 0.0004608300000000, -0.0010437000000000, 0.0000328500000000 ] - [ 0.0002515500000000, 0.0010412100000000, -0.0012173400000000 ] - [ -0.0120717800000000, -0.0056164900000000, -0.0079216800000000 ] - [ 0.0017289200000000, 0.0083134600000000, 0.0020767600000000 ] - [ -0.0004559600000000, -0.0010455800000000, 0.0007041000000000 ] - [ -0.0006641100000000, 0.0010425700000000, -0.0005446100000000 ] - [ 0.0104259300000000, -0.0068429700000000, -0.0283506100000000 ] - [ -0.0012940300000000, 0.0071321300000000, 0.0032692100000000 ] - [ 0.0025952200000000, -0.0020402000000000, 0.0020811700000000 ] - [ -0.0012221900000000, 0.0020234200000000, -0.0017094000000000 ] - [ 0.0113302300000000, -0.0068608600000000, -0.0276569600000000 ] - [ -0.0003806400000000, 0.0071151400000000, 0.0039516300000000 ] - [ 0.0035042600000000, -0.0020333400000000, 0.0027544000000000 ] - [ -0.0003085600000000, 0.0020207500000000, -0.0010410100000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0051300100000000, -0.0006541800000000, -0.0052495300000000 ] - [ 0.0001204500000000, -0.0006553800000000, 0.0001598700000000 ] - [ -0.0007388000000000, -0.0008070400000000, -0.0019272100000000 ] - [ -0.0001947700000000, -0.0002375600000000, -0.0006594400000000 ] - [ 0.0034028600000000, 0.0044333700000000, -0.0033462200000000 ] - [ 0.0021207600000000, -0.0043738300000000, -0.0021101200000000 ] - [ -0.0002454500000000, -0.0016958100000000, -0.0013503700000000 ] - [ 0.0000843400000000, 0.0009980900000000, -0.0014707200000000 ] - [ 0.0031123900000000, 0.0014896600000000, 0.0199867100000000 ] - [ 0.0001733300000000, 0.0003246300000000, 0.0020293800000000 ] - [ -0.0002188800000000, 0.0004946200000000, -0.0020922100000000 ] - [ -0.0001338900000000, 0.0006058000000000, -0.0012436400000000 ] - [ -0.0007448100000000, 0.0042902500000000, 0.0057927500000000 ] - [ -0.0023354000000000, -0.0016867100000000, 0.0050012000000000 ] - [ -0.0005357600000000, 0.0000228200000000, -0.0018690700000000 ] - [ -0.0004886900000000, 0.0005892200000000, -0.0018167400000000 ] - [ 0.0055010300000000, 0.0002084000000000, -0.0054389800000000 ] - [ 0.0004596400000000, 0.0002025800000000, -0.0000156300000000 ] - [ -0.0003865700000000, 0.0000481800000000, -0.0021051200000000 ] - [ 0.0001471400000000, 0.0006179500000000, -0.0008407100000000 ] - [ 0.0030795700000000, 0.0052945200000000, -0.0031994800000000 ] - [ 0.0018011000000000, -0.0035198200000000, -0.0019490800000000 ] - [ -0.0005881000000000, -0.0008434500000000, -0.0011668700000000 ] - [ -0.0002610200000000, 0.0018593000000000, -0.0012877000000000 ] - [ 0.0021709900000000, 0.0006679100000000, 0.0195016400000000 ] - [ -0.0001687500000000, -0.0005319500000000, 0.0018458700000000 ] - [ -0.0005595700000000, -0.0003614800000000, -0.0022729300000000 ] - [ -0.0004740300000000, -0.0002501900000000, -0.0014233600000000 ] - [ -0.0004075900000000, 0.0034322000000000, 0.0059753200000000 ] - [ -0.0019991400000000, -0.0025463400000000, 0.0051826700000000 ] - [ -0.0001973100000000, -0.0008312000000000, -0.0016908300000000 ] - [ -0.0001477200000000, -0.0002695700000000, -0.0016389100000000 ] - [ -0.0070030400000000, 0.0013971400000000, 0.0095913800000000 ] - [ -0.0017276400000000, 0.0000885800000000, 0.0033497100000000 ] - [ 0.0008463400000000, -0.0000279700000000, -0.0023959800000000 ] - [ 0.0005956500000000, 0.0000271400000000, -0.0015368100000000 ] - [ -0.0065292300000000, 0.0014035800000000, 0.0086387500000000 ] - [ -0.0012536300000000, 0.0000875300000000, 0.0023937200000000 ] - [ 0.0013213300000000, -0.0000292800000000, -0.0033515700000000 ] - [ 0.0010704200000000, 0.0000282300000000, -0.0024919500000000 ] - [ -0.0020830700000000, 0.0019469500000000, -0.0066468700000000 ] - [ -0.0004286000000000, -0.0009796900000000, -0.0001423600000000 ] - [ -0.0021265200000000, -0.0015414300000000, -0.0055510300000000 ] - [ -0.0005651400000000, 0.0010522600000000, -0.0007374700000000 ] - [ -0.0025506800000000, 0.0019744400000000, -0.0076153800000000 ] - [ -0.0008983500000000, -0.0009801900000000, -0.0010909500000000 ] - [ -0.0025987500000000, -0.0015235800000000, -0.0064939300000000 ] - [ -0.0010422200000000, 0.0010477600000000, -0.0016982600000000 ] - [ -0.0013437500000000, 0.0031331600000000, -0.0015388800000000 ] - [ 0.0004815100000000, -0.0007982300000000, 0.0009824700000000 ] - [ -0.0002595700000000, -0.0008473000000000, -0.0037096400000000 ] - [ -0.0001807700000000, 0.0007819900000000, -0.0022552600000000 ] - [ -0.0012369000000000, 0.0031464000000000, -0.0011199400000000 ] - [ 0.0005966600000000, -0.0007985900000000, 0.0014261800000000 ] - [ -0.0001422200000000, -0.0008536800000000, -0.0032601300000000 ] - [ -0.0000657900000000, 0.0007824600000000, -0.0018024500000000 ] - [ -0.0064144300000000, -0.0028884600000000, 0.0279337600000000 ] - [ -0.0005722800000000, -0.0037674500000000, 0.0033680700000000 ] - [ 0.0005106400000000, -0.0002412900000000, -0.0043000100000000 ] - [ 0.0005099100000000, 0.0002447300000000, -0.0026590000000000 ] - [ -0.0069903900000000, -0.0037533600000000, 0.0290365100000000 ] - [ -0.0006874400000000, -0.0037528400000000, 0.0038172900000000 ] - [ 0.0003975000000000, -0.0002392700000000, -0.0038483500000000 ] - [ 0.0003959200000000, 0.0002429000000000, -0.0022114800000000 ] - [ -0.0009288600000000, -0.0029502800000000, -0.0010166300000000 ] - [ 0.0005061900000000, 0.0012391400000000, 0.0005273600000000 ] - [ -0.0000500800000000, 0.0007189100000000, -0.0036623100000000 ] - [ -0.0001199100000000, -0.0006305700000000, -0.0017686800000000 ] - [ -0.0007450300000000, -0.0029544600000000, -0.0005800400000000 ] - [ 0.0006938700000000, 0.0012398000000000, 0.0009782000000000 ] - [ 0.0001405500000000, 0.0007261200000000, -0.0032056600000000 ] - [ 0.0000667500000000, -0.0006310600000000, -0.0013079200000000 ] - [ -0.0088890300000000, 0.0118043100000000, 0.0391189100000000 ] - [ -0.0009126000000000, 0.0037083100000000, 0.0035665300000000 ] - [ 0.0004699900000000, 0.0002272500000000, -0.0040004200000000 ] - [ 0.0004340700000000, -0.0002324700000000, -0.0024300800000000 ] - [ -0.0095684100000000, 0.0131032800000000, 0.0404287300000000 ] - [ -0.0010993600000000, 0.0037016600000000, 0.0040230700000000 ] - [ 0.0002838700000000, 0.0002252000000000, -0.0035415400000000 ] - [ 0.0002468900000000, -0.0002306100000000, -0.0019764900000000 ] - [ 0.0141335600000000, -0.0177902300000000, -0.1752339900000000 ] - [ 0.0018492300000000, -0.0000619300000000, -0.0070977400000000 ] - [ -0.0001889400000000, -0.0001075000000000, 0.0048626700000000 ] - [ -0.0000977100000000, -0.0001555200000000, 0.0030536300000000 ] - [ 0.0085632300000000, 0.0002448200000000, -0.0281427200000000 ] - [ 0.0085590200000000, 0.0001595500000000, -0.0281382300000000 ] - [ -0.0001366500000000, 0.0001286900000000, 0.0039618400000000 ] - [ -0.0001366800000000, 0.0001349300000000, 0.0039616800000000 ] - [ -0.0023323100000000, 0.0006464600000000, 0.0044088700000000 ] - [ -0.0003968500000000, -0.0002158100000000, 0.0005784500000000 ] - [ -0.0023522700000000, 0.0006470800000000, 0.0044048700000000 ] - [ -0.0003954000000000, -0.0002160600000000, 0.0005719700000000 ] - [ -0.0010191000000000, 0.0023103100000000, 0.0018601300000000 ] - [ -0.0014776700000000, -0.0027286300000000, 0.0024004000000000 ] - [ -0.0014732100000000, -0.0027323200000000, 0.0023886500000000 ] - [ -0.0010138200000000, 0.0023157900000000, 0.0018490800000000 ] - [ -0.0085152800000000, 0.0093108700000000, 0.0176390300000000 ] - [ 0.0003389300000000, -0.0038628200000000, 0.0004492300000000 ] - [ 0.0020084100000000, -0.0011720400000000, 0.0064516100000000 ] - [ -0.0001685400000000, 0.0010016300000000, 0.0025930900000000 ] - [ -0.0078117100000000, 0.0091659200000000, 0.0167878200000000 ] - [ 0.0009658000000000, -0.0038687200000000, -0.0003253300000000 ] - [ 0.0026505700000000, -0.0011770500000000, 0.0056792900000000 ] - [ 0.0004531900000000, 0.0010066000000000, 0.0018008100000000 ] - [ 0.0101209200000000, 0.0121995000000000, -0.0104029100000000 ] - [ 0.0009271500000000, -0.0016066300000000, -0.0032244500000000 ] - [ 0.0002988200000000, -0.0002406100000000, 0.0049725100000000 ] - [ 0.0001986500000000, 0.0002388700000000, 0.0033009500000000 ] - [ 0.0094981300000000, 0.0121754000000000, -0.0112384200000000 ] - [ 0.0003030600000000, -0.0016065300000000, -0.0040168600000000 ] - [ -0.0003229800000000, -0.0002381300000000, 0.0041835200000000 ] - [ -0.0004229200000000, 0.0002361800000000, 0.0025150700000000 ] - [ 0.0120788000000000, -0.0169824500000000, -0.0073501000000000 ] - [ 0.0012819900000000, 0.0012428600000000, -0.0039052900000000 ] - [ 0.0004104500000000, 0.0003788000000000, 0.0046902100000000 ] - [ 0.0004166700000000, -0.0003771100000000, 0.0030743900000000 ] - [ 0.0111528800000000, -0.0170190700000000, -0.0066349300000000 ] - [ 0.0003670300000000, 0.0012415000000000, -0.0032287700000000 ] - [ -0.0005063300000000, 0.0003814100000000, 0.0053622800000000 ] - [ -0.0005004100000000, -0.0003800800000000, 0.0037424900000000 ] - [ -0.0108450300000000, -0.0103176200000000, 0.0220223600000000 ] - [ 0.0001776100000000, 0.0040323200000000, -0.0006731100000000 ] - [ 0.0020968600000000, 0.0015220700000000, 0.0060489100000000 ] - [ -0.0003671000000000, -0.0013234900000000, 0.0026762400000000 ] - [ -0.0100376700000000, -0.0105020000000000, 0.0227340600000000 ] - [ 0.0010936500000000, 0.0040203200000000, -0.0000170100000000 ] - [ 0.0029944400000000, 0.0015161900000000, 0.0067089400000000 ] - [ 0.0005478200000000, -0.0013178900000000, 0.0033510900000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0006424000000000, -0.0000554700000000, 0.0004030000000000 ] - [ -0.0002082900000000, -0.0005701900000000, 0.0000211900000000 ] - [ -0.0104409500000000, 0.0034137500000000, 0.0000423500000000 ] - [ -0.0011170100000000, -0.0006812000000000, 0.0005592900000000 ] - [ 0.0019162700000000, -0.0049043300000000, -0.0001777200000000 ] - [ 0.0475244600000000, -0.0414674400000000, -0.0044461200000000 ] - [ 0.0002289700000000, -0.0003022100000000, -0.0000989200000000 ] - [ 0.0003533600000000, -0.0005490500000000, -0.0001386400000000 ] - [ -0.0046719000000000, 0.0025839900000000, 0.0001379800000000 ] - [ -0.0003146000000000, 0.0000429400000000, -0.0003017800000000 ] - [ -0.0006621400000000, 0.0011252900000000, -0.0005591700000000 ] - [ -0.0000647500000000, 0.0001580800000000, 0.0000351100000000 ] - [ 0.0027273700000000, -0.0015304600000000, 0.0017387900000000 ] - [ 0.0000011300000000, 0.0006481000000000, -0.0003066300000000 ] - [ 0.0028962500000000, 0.0008411600000000, 0.0012370200000000 ] - [ 0.0005004400000000, 0.0004939700000000, 0.0004388600000000 ] - [ 0.0475244600000000, 0.0414674400000000, -0.0044461200000000 ] - [ 0.0019162700000000, 0.0049043300000000, -0.0001777200000000 ] - [ 0.0003533600000000, 0.0005490500000000, -0.0001386400000000 ] - [ 0.0002289700000000, 0.0003022100000000, -0.0000989200000000 ] - [ -0.0006424000000000, 0.0000554700000000, 0.0004030000000000 ] - [ -0.0002082900000000, 0.0005701900000000, 0.0000211900000000 ] - [ -0.0104409500000000, -0.0034137500000000, 0.0000423500000000 ] - [ -0.0011170100000000, 0.0006812000000000, 0.0005592900000000 ] - [ 0.0027273700000000, 0.0015304600000000, 0.0017387900000000 ] - [ 0.0000011300000000, -0.0006481000000000, -0.0003066300000000 ] - [ 0.0028962500000000, -0.0008411600000000, 0.0012370200000000 ] - [ 0.0005004400000000, -0.0004939700000000, 0.0004388600000000 ] - [ -0.0003146000000000, -0.0000429400000000, -0.0003017800000000 ] - [ -0.0046719000000000, -0.0025839900000000, 0.0001379800000000 ] - [ -0.0000647500000000, -0.0001580800000000, 0.0000351100000000 ] - [ -0.0006621400000000, -0.0011252900000000, -0.0005591700000000 ] - [ -0.0013827500000000, -0.0000943700000000, -0.0005141800000000 ] - [ -0.0013827500000000, 0.0000943700000000, -0.0005141800000000 ] - [ -0.0007548500000000, 0.0000640200000000, 0.0012287400000000 ] - [ -0.0007548500000000, -0.0000640200000000, 0.0012287400000000 ] - [ -0.0002207300000000, 0.0000000000000000, -0.0040667600000000 ] - [ 0.0003540700000000, 0.0000000000000000, -0.0009410400000000 ] - [ -0.0014441100000000, 0.0000000000000000, 0.0030336500000000 ] - [ -0.0000289100000000, 0.0000000000000000, 0.0000496000000000 ] - [ 0.0004131800000000, 0.0000000000000000, 0.0009505900000000 ] - [ 0.0002277400000000, 0.0000000000000000, 0.0003986700000000 ] - [ 0.0918784500000000, 0.0000000000000000, 0.0862929900000000 ] - [ 0.0009209600000000, 0.0000000000000000, 0.0009146200000000 ] - [ 0.0065755800000000, 0.0032257200000000, 0.0015011200000000 ] - [ 0.0065755800000000, -0.0032257200000000, 0.0015011200000000 ] - [ -0.0001903900000000, 0.0001318600000000, -0.0004359400000000 ] - [ -0.0001903900000000, -0.0001318600000000, -0.0004359400000000 ] - [ -0.0029648700000000, -0.0011227600000000, -0.0008755200000000 ] - [ -0.0029648700000000, 0.0011227600000000, -0.0008755200000000 ] - [ -0.0002269000000000, 0.0001787700000000, -0.0001753900000000 ] - [ -0.0002269000000000, -0.0001787700000000, -0.0001753900000000 ] - [ 0.0004905700000000, 0.0000000000000000, -0.0002626800000000 ] - [ 0.0000376900000000, 0.0000000000000000, -0.0000359300000000 ] - [ -0.0038687300000000, 0.0000000000000000, 0.0135167200000000 ] - [ -0.0000540500000000, 0.0000000000000000, 0.0010983600000000 ] - [ -0.0020450800000000, 0.0000000000000000, 0.0027916100000000 ] - [ 0.0001531400000000, 0.0000000000000000, -0.0006187800000000 ] - [ -0.0018635900000000, 0.0000000000000000, -0.0101677700000000 ] - [ 0.0000179500000000, 0.0000000000000000, 0.0000886700000000 ] - [ 0.0043245400000000, 0.0006279300000000, -0.0030365500000000 ] - [ 0.0043245400000000, -0.0006279300000000, -0.0030365500000000 ] - [ 0.0002259800000000, 0.0001417500000000, 0.0001991400000000 ] - [ 0.0002259800000000, -0.0001417500000000, 0.0001991400000000 ] - [ -0.0152852100000000, 0.0000000000000000, -0.0013186300000000 ] - [ -0.0008083300000000, 0.0000000000000000, -0.0003534300000000 ] - [ -0.0003139400000000, 0.0000000000000000, 0.0000242700000000 ] - [ -0.0001521600000000, 0.0000000000000000, -0.0002054800000000 ] - [ 0.0002351400000000, 0.0002883400000000, 0.0000881100000000 ] - [ 0.0002351400000000, -0.0002883400000000, 0.0000881100000000 ] - [ -0.0019871200000000, -0.0023462500000000, 0.0030194900000000 ] - [ -0.0019871200000000, 0.0023462500000000, 0.0030194900000000 ] - [ 0.0002375300000000, 0.0008792100000000, -0.0004294900000000 ] - [ 0.0002375300000000, -0.0008792100000000, -0.0004294900000000 ] - [ 0.0004420100000000, 0.0014289100000000, -0.0010684800000000 ] - [ 0.0004420100000000, -0.0014289100000000, -0.0010684800000000 ] - [ 0.0373150700000000, 0.0000000000000000, -0.0483433900000000 ] - [ 0.0004859600000000, 0.0000000000000000, -0.0004438100000000 ] - [ 0.0008947800000000, 0.0000000000000000, -0.0006791300000000 ] - [ -0.0000039100000000, 0.0000000000000000, 0.0004054100000000 ] - [ 0.0016257700000000, -0.0091118500000000, -0.0081624400000000 ] - [ -0.0001059300000000, 0.0004150200000000, 0.0006580600000000 ] - [ -0.0021349300000000, -0.0024035300000000, 0.0023264100000000 ] - [ -0.0005654100000000, 0.0007499400000000, 0.0001416600000000 ] - [ -0.0001059300000000, -0.0004150200000000, 0.0006580600000000 ] - [ 0.0016257700000000, 0.0091118500000000, -0.0081624400000000 ] - [ -0.0005654100000000, -0.0007499400000000, 0.0001416600000000 ] - [ -0.0021349300000000, 0.0024035300000000, 0.0023264100000000 ] - [ 0.0001570500000000, 0.0000132400000000, 0.0000114900000000 ] - [ 0.0000428700000000, 0.0001739100000000, 0.0001121000000000 ] - [ 0.0210743400000000, 0.0115475000000000, -0.0097587600000000 ] - [ 0.0019874600000000, -0.0014761300000000, -0.0006151700000000 ] - [ 0.0000428700000000, -0.0001739100000000, 0.0001121000000000 ] - [ 0.0001570500000000, -0.0000132400000000, 0.0000114900000000 ] - [ 0.0019874600000000, 0.0014761300000000, -0.0006151700000000 ] - [ 0.0210743400000000, -0.0115475000000000, -0.0097587600000000 ] - [ -0.2378076400000000, 0.0000000000000000, -0.0285489300000000 ] - [ -0.0029238200000000, 0.0000000000000000, 0.0003810600000000 ] - [ -0.0008043800000000, 0.0000000000000000, 0.0005029100000000 ] - [ -0.0003196100000000, 0.0000000000000000, 0.0003516800000000 ] - [ 0.0004550200000000, -0.0004135400000000, -0.0004861500000000 ] - [ 0.0004550200000000, 0.0004135400000000, -0.0004861500000000 ] - [ 0.0025531300000000, -0.0056884700000000, 0.0003349400000000 ] - [ 0.0025531300000000, 0.0056884700000000, 0.0003349400000000 ] - [ -0.0006308700000000, -0.0005211700000000, 0.0017362400000000 ] - [ -0.0006308700000000, 0.0005211700000000, 0.0017362400000000 ] - [ -0.0006371300000000, 0.0003253900000000, -0.0019574400000000 ] - [ -0.0006371300000000, -0.0003253900000000, -0.0019574400000000 ] - [ 0.0125659000000000, 0.0000000000000000, 0.0037141100000000 ] - [ 0.0002852100000000, 0.0000000000000000, 0.0003195800000000 ] - [ 0.0018146900000000, 0.0000000000000000, -0.0001789900000000 ] - [ 0.0000534600000000, 0.0000000000000000, -0.0007038800000000 ] - [ 0.0046643700000000, -0.0020280500000000, 0.0016174300000000 ] - [ 0.0046643700000000, 0.0020280500000000, 0.0016174300000000 ] - [ 0.0013857900000000, -0.0005172300000000, -0.0005674700000000 ] - [ 0.0013857900000000, 0.0005172300000000, -0.0005674700000000 ] - [ -0.0055373900000000, 0.0000000000000000, 0.0020136100000000 ] - [ -0.0007672500000000, 0.0000000000000000, 0.0010146100000000 ] - [ -0.0067716200000000, 0.0000000000000000, -0.0101941600000000 ] - [ -0.0008520300000000, 0.0000000000000000, -0.0009954200000000 ] - [ 0.0004993900000000, 0.0000000000000000, -0.0020876600000000 ] - [ -0.0004822800000000, 0.0000000000000000, -0.0000566100000000 ] - [ 0.0315495300000000, 0.0000000000000000, 0.0214756100000000 ] - [ -0.0001182300000000, 0.0000000000000000, -0.0008832700000000 ] - [ -0.0214715400000000, 0.0096700700000000, 0.0021123800000000 ] - [ -0.0214715400000000, -0.0096700700000000, 0.0021123800000000 ] - [ 0.0002976100000000, -0.0002425200000000, 0.0002847500000000 ] - [ 0.0002976100000000, 0.0002425200000000, 0.0002847500000000 ]- atom: 97 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003018200000000, -0.0007997900000000, -0.0002250200000000 ] - [ -0.0001344600000000, -0.0002835800000000, 0.0001583300000000 ] - [ 0.0101479100000000, -0.0042588900000000, 0.0001052400000000 ] - [ 0.0007748500000000, -0.0001756900000000, -0.0003810800000000 ] - [ -0.0015698100000000, 0.0040017800000000, 0.0000025100000000 ] - [ -0.0477051200000000, 0.0425348200000000, 0.0044197200000000 ] - [ 0.0001144800000000, -0.0005512100000000, -0.0000800300000000 ] - [ -0.0000103700000000, -0.0003048900000000, -0.0000399700000000 ] - [ 0.0050325700000000, -0.0016926600000000, 0.0000805400000000 ] - [ 0.0006649100000000, 0.0007998300000000, 0.0004819300000000 ] - [ 0.0010101700000000, -0.0002735700000000, 0.0007399800000000 ] - [ 0.0004074400000000, 0.0006955500000000, 0.0001442900000000 ] - [ -0.0030949300000000, 0.0023890300000000, -0.0019329800000000 ] - [ -0.0003479700000000, 0.0002044700000000, 0.0001243400000000 ] - [ -0.0032565900000000, 0.0000027100000000, -0.0014207700000000 ] - [ -0.0008433700000000, 0.0003599400000000, -0.0006161800000000 ] - [ -0.0477051200000000, -0.0425348200000000, 0.0044197200000000 ] - [ -0.0015698100000000, -0.0040017800000000, 0.0000025100000000 ] - [ -0.0000103700000000, 0.0003048900000000, -0.0000399700000000 ] - [ 0.0001144800000000, 0.0005512100000000, -0.0000800300000000 ] - [ 0.0003018200000000, 0.0007997900000000, -0.0002250200000000 ] - [ -0.0001344600000000, 0.0002835800000000, 0.0001583300000000 ] - [ 0.0101479100000000, 0.0042588900000000, 0.0001052400000000 ] - [ 0.0007748500000000, 0.0001756900000000, -0.0003810800000000 ] - [ -0.0030949300000000, -0.0023890300000000, -0.0019329800000000 ] - [ -0.0003479700000000, -0.0002044700000000, 0.0001243400000000 ] - [ -0.0032565900000000, -0.0000027100000000, -0.0014207700000000 ] - [ -0.0008433700000000, -0.0003599400000000, -0.0006161800000000 ] - [ 0.0006649100000000, -0.0007998300000000, 0.0004819300000000 ] - [ 0.0050325700000000, 0.0016926600000000, 0.0000805400000000 ] - [ 0.0004074400000000, -0.0006955500000000, 0.0001442900000000 ] - [ 0.0010101700000000, 0.0002735700000000, 0.0007399800000000 ] - [ 0.0008890600000000, 0.0001045600000000, 0.0014789800000000 ] - [ 0.0008890600000000, -0.0001045600000000, 0.0014789800000000 ] - [ 0.0002773300000000, -0.0000617900000000, -0.0002695200000000 ] - [ 0.0002773300000000, 0.0000617900000000, -0.0002695200000000 ] - [ 0.0006718400000000, 0.0000000000000000, 0.0031661500000000 ] - [ 0.0001201700000000, 0.0000000000000000, -0.0000174600000000 ] - [ 0.0019291900000000, 0.0000000000000000, -0.0040206300000000 ] - [ 0.0005052600000000, 0.0000000000000000, -0.0010056800000000 ] - [ 0.0000637800000000, 0.0000000000000000, 0.0000061400000000 ] - [ 0.0002504800000000, 0.0000000000000000, 0.0005604600000000 ] - [ -0.0883466800000000, 0.0000000000000000, -0.0808445200000000 ] - [ -0.0004349800000000, 0.0000000000000000, 0.0000503900000000 ] - [ -0.0070064700000000, -0.0032122200000000, -0.0024530300000000 ] - [ -0.0070064700000000, 0.0032122200000000, -0.0024530300000000 ] - [ -0.0002867000000000, -0.0001320200000000, -0.0005225000000000 ] - [ -0.0002867000000000, 0.0001320200000000, -0.0005225000000000 ] - [ 0.0028265600000000, 0.0011505700000000, 0.0004168900000000 ] - [ 0.0028265600000000, -0.0011505700000000, 0.0004168900000000 ] - [ 0.0001105900000000, -0.0001783800000000, -0.0002739000000000 ] - [ 0.0001105900000000, 0.0001783800000000, -0.0002739000000000 ] - [ -0.0003807200000000, 0.0000000000000000, 0.0007198200000000 ] - [ 0.0000782200000000, 0.0000000000000000, 0.0004848000000000 ] - [ 0.0039626600000000, 0.0000000000000000, -0.0132217900000000 ] - [ 0.0001676300000000, 0.0000000000000000, -0.0006436300000000 ] - [ 0.0021983500000000, 0.0000000000000000, -0.0032717800000000 ] - [ -0.0000342800000000, 0.0000000000000000, 0.0001666700000000 ] - [ 0.0019973300000000, 0.0000000000000000, 0.0097694000000000 ] - [ 0.0000993700000000, 0.0000000000000000, -0.0005382300000000 ] - [ -0.0044166300000000, -0.0006486000000000, 0.0034661100000000 ] - [ -0.0044166300000000, 0.0006486000000000, 0.0034661100000000 ] - [ -0.0003427300000000, -0.0001409400000000, 0.0002500200000000 ] - [ -0.0003427300000000, 0.0001409400000000, 0.0002500200000000 ] - [ 0.0152641300000000, 0.0000000000000000, 0.0008525700000000 ] - [ 0.0006103300000000, 0.0000000000000000, -0.0001133800000000 ] - [ 0.0001252400000000, 0.0000000000000000, -0.0004900100000000 ] - [ -0.0000377900000000, 0.0000000000000000, -0.0002582000000000 ] - [ -0.0000472300000000, -0.0002884000000000, 0.0003758700000000 ] - [ -0.0000472300000000, 0.0002884000000000, 0.0003758700000000 ] - [ 0.0021607700000000, 0.0023515400000000, -0.0025391100000000 ] - [ 0.0021607700000000, -0.0023515400000000, -0.0025391100000000 ] - [ -0.0000386500000000, -0.0008767200000000, -0.0000343000000000 ] - [ -0.0000386500000000, 0.0008767200000000, -0.0000343000000000 ] - [ -0.0002489400000000, -0.0014288900000000, 0.0006044000000000 ] - [ -0.0002489400000000, 0.0014288900000000, 0.0006044000000000 ] - [ -0.0376118900000000, 0.0000000000000000, 0.0478041000000000 ] - [ -0.0006682500000000, 0.0000000000000000, 0.0009007200000000 ] - [ -0.0010883900000000, 0.0000000000000000, 0.0011460300000000 ] - [ -0.0001856800000000, 0.0000000000000000, 0.0000591900000000 ] - [ -0.0017052600000000, 0.0091373000000000, 0.0081630700000000 ] - [ 0.0000927000000000, -0.0004191100000000, -0.0006475100000000 ] - [ 0.0021406200000000, 0.0024116700000000, -0.0023323400000000 ] - [ 0.0005648600000000, -0.0007490700000000, -0.0001430800000000 ] - [ 0.0000927000000000, 0.0004191100000000, -0.0006475100000000 ] - [ -0.0017052600000000, -0.0091373000000000, 0.0081630700000000 ] - [ 0.0005648600000000, 0.0007490700000000, -0.0001430800000000 ] - [ 0.0021406200000000, -0.0024116700000000, -0.0023323400000000 ] - [ -0.0001573400000000, -0.0000163200000000, -0.0000124300000000 ] - [ -0.0000427600000000, -0.0001731700000000, -0.0001120800000000 ] - [ -0.0210939200000000, -0.0117780100000000, 0.0098617600000000 ] - [ -0.0019630500000000, 0.0014799000000000, 0.0006148700000000 ] - [ -0.0000427600000000, 0.0001731700000000, -0.0001120800000000 ] - [ -0.0001573400000000, 0.0000163200000000, -0.0000124300000000 ] - [ -0.0019630500000000, -0.0014799000000000, 0.0006148700000000 ] - [ -0.0210939200000000, 0.0117780100000000, 0.0098617600000000 ] - [ 0.2352771900000000, 0.0000000000000000, 0.0253314100000000 ] - [ 0.0022862700000000, 0.0000000000000000, 0.0004042900000000 ] - [ 0.0001861400000000, 0.0000000000000000, 0.0002840700000000 ] - [ -0.0003007800000000, 0.0000000000000000, 0.0004354800000000 ] - [ 0.0001643500000000, 0.0004137800000000, -0.0003023400000000 ] - [ 0.0001643500000000, -0.0004137800000000, -0.0003023400000000 ] - [ -0.0019502000000000, 0.0056776100000000, -0.0011147700000000 ] - [ -0.0019502000000000, -0.0056776100000000, -0.0011147700000000 ] - [ 0.0012661300000000, 0.0005224500000000, -0.0009484900000000 ] - [ 0.0012661300000000, -0.0005224500000000, -0.0009484900000000 ] - [ 0.0012598500000000, -0.0003320000000000, 0.0027408600000000 ] - [ 0.0012598500000000, 0.0003320000000000, 0.0027408600000000 ] - [ -0.0132163000000000, 0.0000000000000000, -0.0046589600000000 ] - [ -0.0009021800000000, 0.0000000000000000, -0.0011063000000000 ] - [ -0.0024492000000000, 0.0000000000000000, -0.0006059200000000 ] - [ -0.0006732300000000, 0.0000000000000000, -0.0000859100000000 ] - [ -0.0037259500000000, 0.0019711300000000, -0.0022932800000000 ] - [ -0.0037259500000000, -0.0019711300000000, -0.0022932800000000 ] - [ -0.0004695500000000, 0.0005165500000000, -0.0001040600000000 ] - [ -0.0004695500000000, -0.0005165500000000, -0.0001040600000000 ] - [ 0.0046857400000000, 0.0000000000000000, -0.0013541400000000 ] - [ -0.0001458500000000, 0.0000000000000000, -0.0003409900000000 ] - [ 0.0059191700000000, 0.0000000000000000, 0.0109337700000000 ] - [ -0.0000665000000000, 0.0000000000000000, 0.0016621700000000 ] - [ -0.0014222100000000, 0.0000000000000000, 0.0014178300000000 ] - [ -0.0004370100000000, 0.0000000000000000, -0.0006151700000000 ] - [ -0.0324792700000000, 0.0000000000000000, -0.0219388400000000 ] - [ -0.0008058100000000, 0.0000000000000000, 0.0002080100000000 ] - [ 0.0222746300000000, -0.0094531200000000, -0.0014348500000000 ] - [ 0.0222746300000000, 0.0094531200000000, -0.0014348500000000 ] - [ 0.0006206400000000, 0.0002422000000000, 0.0003879600000000 ] - [ 0.0006206400000000, -0.0002422000000000, 0.0003879600000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000748600000000, 0.0003306800000000, -0.0002101300000000 ] - [ -0.0002233400000000, -0.0011984400000000, 0.0003461600000000 ] - [ -0.0012921200000000, 0.0037412900000000, 0.0009523300000000 ] - [ -0.0003715300000000, -0.0042510700000000, -0.0009799200000000 ] - [ -0.0012123000000000, -0.0112913400000000, 0.0003895500000000 ] - [ -0.0399098300000000, 0.0867250100000000, 0.0019321600000000 ] - [ 0.0001268900000000, -0.0008468200000000, -0.0000679600000000 ] - [ 0.0002097700000000, -0.0000102500000000, -0.0001118500000000 ] - [ 0.0005703900000000, 0.0032709000000000, -0.0012768400000000 ] - [ -0.0001592900000000, -0.0025059500000000, 0.0010910800000000 ] - [ 0.0002044700000000, 0.0010393400000000, 0.0003727700000000 ] - [ 0.0001527000000000, -0.0002041300000000, -0.0001821400000000 ] - [ -0.0000994200000000, 0.0032286600000000, 0.0010963500000000 ] - [ -0.0008702400000000, -0.0021189300000000, -0.0013702100000000 ] - [ 0.0000094800000000, 0.0023866200000000, -0.0013784900000000 ] - [ -0.0000435100000000, -0.0013691500000000, 0.0006900700000000 ] - [ 0.0369113700000000, 0.0827819000000000, -0.0016969700000000 ] - [ 0.0015873600000000, -0.0104101300000000, -0.0005718200000000 ] - [ 0.0001336200000000, 0.0008395500000000, -0.0000662500000000 ] - [ 0.0002155300000000, 0.0000112900000000, -0.0001099500000000 ] - [ -0.0002669500000000, 0.0011926800000000, 0.0003863500000000 ] - [ -0.0001199000000000, -0.0003466600000000, -0.0001637800000000 ] - [ 0.0009748200000000, 0.0046497600000000, -0.0007673700000000 ] - [ 0.0000124700000000, -0.0033974200000000, 0.0011515000000000 ] - [ -0.0002499200000000, 0.0023419400000000, -0.0012872600000000 ] - [ 0.0005372400000000, -0.0029757300000000, 0.0012034500000000 ] - [ -0.0003508300000000, 0.0015143500000000, 0.0012070200000000 ] - [ -0.0002968300000000, -0.0022188600000000, -0.0008737600000000 ] - [ 0.0004879200000000, -0.0033676000000000, -0.0009106200000000 ] - [ -0.0002194800000000, 0.0024560800000000, 0.0014549100000000 ] - [ 0.0001861100000000, -0.0010638400000000, 0.0003586700000000 ] - [ 0.0001400800000000, 0.0001949900000000, -0.0001909500000000 ] - [ -0.0010065200000000, -0.0006912400000000, -0.0020777400000000 ] - [ 0.0005381400000000, -0.0006818100000000, 0.0030353200000000 ] - [ -0.0007608500000000, 0.0000039000000000, 0.0018060200000000 ] - [ 0.0002850200000000, 0.0000091700000000, -0.0008486000000000 ] - [ 0.0002336900000000, 0.0026170600000000, -0.0004852700000000 ] - [ 0.0002377500000000, -0.0017963600000000, -0.0004768800000000 ] - [ 0.0002357500000000, 0.0007893100000000, -0.0004701900000000 ] - [ 0.0002384600000000, -0.0008601900000000, -0.0004807500000000 ] - [ 0.0002368900000000, 0.0004446100000000, 0.0004761900000000 ] - [ 0.0002382900000000, -0.0004193600000000, 0.0004805600000000 ] - [ -0.0001747700000000, 0.0129988000000000, 0.0000833300000000 ] - [ 0.0002354300000000, -0.0045650600000000, 0.0004739900000000 ] - [ 0.0095161800000000, -0.0076871200000000, 0.0066013800000000 ] - [ -0.0100592000000000, -0.0077577100000000, -0.0076346300000000 ] - [ -0.0003444900000000, -0.0000057000000000, -0.0007942400000000 ] - [ -0.0001299500000000, -0.0000026400000000, -0.0001603000000000 ] - [ -0.0042404300000000, -0.0025911800000000, -0.0013934900000000 ] - [ 0.0041040600000000, -0.0025665600000000, 0.0009413800000000 ] - [ -0.0001456900000000, -0.0000092700000000, -0.0000758200000000 ] - [ 0.0000301000000000, -0.0000055000000000, -0.0003718400000000 ] - [ 0.0000581300000000, 0.0009806200000000, 0.0002217800000000 ] - [ 0.0000597600000000, -0.0009616400000000, 0.0002280900000000 ] - [ 0.0000478700000000, 0.0105693300000000, 0.0002356900000000 ] - [ 0.0000573600000000, -0.0036873800000000, 0.0002204500000000 ] - [ 0.0000692200000000, 0.0011397200000000, -0.0002441900000000 ] - [ 0.0000557300000000, -0.0016229200000000, -0.0002203000000000 ] - [ 0.0000641100000000, 0.0010140300000000, -0.0001929700000000 ] - [ 0.0000584100000000, -0.0016413000000000, -0.0002312200000000 ] - [ 0.0051354200000000, -0.0063670500000000, -0.0093370400000000 ] - [ -0.0052713800000000, -0.0064005300000000, 0.0098507100000000 ] - [ -0.0002491100000000, -0.0000498700000000, 0.0008757200000000 ] - [ 0.0001348000000000, -0.0000445900000000, -0.0004275400000000 ] - [ -0.0000952000000000, 0.0113724400000000, -0.0002339900000000 ] - [ -0.0000947000000000, -0.0043108200000000, -0.0002305500000000 ] - [ -0.0000949000000000, 0.0005425200000000, -0.0002297100000000 ] - [ -0.0000946700000000, -0.0005297900000000, -0.0002303200000000 ] - [ 0.0000025300000000, -0.0000060500000000, -0.0006180800000000 ] - [ 0.0001870600000000, 0.0000011600000000, 0.0010810500000000 ] - [ -0.0026557800000000, -0.0033970200000000, 0.0063318400000000 ] - [ 0.0028540200000000, -0.0033813300000000, -0.0058676600000000 ] - [ 0.0012099100000000, 0.0000458200000000, -0.0031357800000000 ] - [ -0.0010295400000000, 0.0000584700000000, 0.0026911100000000 ] - [ 0.0003350500000000, -0.0000186400000000, 0.0022430700000000 ] - [ -0.0001486400000000, -0.0000021700000000, -0.0027216800000000 ] - [ -0.0002960800000000, 0.0268468900000000, 0.0006426400000000 ] - [ -0.0000956100000000, -0.0054374000000000, 0.0002351900000000 ] - [ -0.0000967000000000, 0.0008674100000000, 0.0002351400000000 ] - [ -0.0000945500000000, -0.0007557300000000, 0.0002291200000000 ] - [ -0.0037024900000000, -0.0056064800000000, 0.0092268200000000 ] - [ 0.0015836700000000, 0.0064806400000000, -0.0038855400000000 ] - [ -0.0003533600000000, -0.0016063200000000, -0.0011801800000000 ] - [ 0.0000901700000000, 0.0016429200000000, 0.0010086600000000 ] - [ -0.0015593600000000, 0.0064579300000000, 0.0038464600000000 ] - [ 0.0037146700000000, -0.0057145400000000, -0.0092495100000000 ] - [ -0.0000911500000000, 0.0016488900000000, -0.0009991100000000 ] - [ 0.0003549800000000, -0.0016325800000000, 0.0011686900000000 ] - [ 0.0000062700000000, -0.0008268100000000, 0.0002398800000000 ] - [ -0.0000074200000000, 0.0008257600000000, -0.0002394200000000 ] - [ 0.0228302500000000, -0.0068394700000000, -0.0121796800000000 ] - [ -0.0026520000000000, 0.0070573100000000, 0.0016063100000000 ] - [ 0.0000072300000000, 0.0008316900000000, 0.0002358400000000 ] - [ -0.0000067500000000, -0.0008327700000000, -0.0002392000000000 ] - [ 0.0026523400000000, 0.0070748900000000, -0.0016068800000000 ] - [ -0.0228699600000000, -0.0068868600000000, 0.0121960100000000 ] - [ 0.0039088100000000, -0.2714176000000000, -0.0000221500000000 ] - [ -0.0003195500000000, 0.0111580100000000, 0.0003919600000000 ] - [ -0.0003096600000000, -0.0007615200000000, 0.0003924500000000 ] - [ -0.0003113900000000, 0.0007475700000000, 0.0003930700000000 ] - [ -0.0001020700000000, 0.0000341000000000, 0.0009790100000000 ] - [ 0.0007255100000000, 0.0000250600000000, -0.0017725900000000 ] - [ -0.0053364200000000, -0.0001448500000000, -0.0078597400000000 ] - [ 0.0060302100000000, -0.0001942900000000, 0.0071418100000000 ] - [ 0.0006347900000000, 0.0003856900000000, 0.0043787200000000 ] - [ -0.0000223300000000, 0.0003648000000000, -0.0036049600000000 ] - [ -0.0002130400000000, 0.0003845300000000, -0.0042045100000000 ] - [ 0.0008306200000000, 0.0003666100000000, 0.0050015400000000 ] - [ -0.0003144500000000, -0.0067048700000000, -0.0003833900000000 ] - [ -0.0003083100000000, 0.0049673300000000, -0.0003966300000000 ] - [ -0.0003107700000000, -0.0010844200000000, -0.0004001900000000 ] - [ -0.0003105900000000, 0.0010706500000000, -0.0003925300000000 ] - [ 0.0021862100000000, 0.0010124400000000, 0.0035883800000000 ] - [ -0.0012587500000000, 0.0009825500000000, -0.0042575900000000 ] - [ 0.0009588700000000, 0.0000110000000000, -0.0011673100000000 ] - [ -0.0000412100000000, 0.0000003000000000, 0.0004950200000000 ] - [ -0.0004544100000000, -0.0045786200000000, 0.0003557200000000 ] - [ -0.0004629200000000, 0.0037068800000000, 0.0003313300000000 ] - [ -0.0004591800000000, -0.0045157000000000, 0.0003104200000000 ] - [ -0.0004592600000000, 0.0034845100000000, 0.0003417300000000 ] - [ -0.0004608800000000, -0.0015307600000000, -0.0003287100000000 ] - [ -0.0004574100000000, 0.0014034000000000, -0.0003406000000000 ] - [ -0.0005023900000000, -0.0044249900000000, -0.0003700600000000 ] - [ -0.0004503500000000, 0.0062460700000000, -0.0003223500000000 ] - [ -0.0076557900000000, 0.0526023100000000, 0.0056130400000000 ] - [ 0.0083528900000000, 0.0531380200000000, -0.0049557700000000 ] - [ 0.0007443600000000, 0.0000112100000000, 0.0001278300000000 ] - [ 0.0001714400000000, 0.0000043300000000, 0.0005428600000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0007938100000000, -0.0016459100000000, -0.0023611700000000 ] - [ 0.0000440300000000, -0.0000181200000000, -0.0010001300000000 ] - [ -0.0071392300000000, 0.0063711300000000, -0.0004300400000000 ] - [ -0.0004529500000000, -0.0015715500000000, 0.0009228100000000 ] - [ -0.0002541200000000, -0.0000034000000000, 0.0023200700000000 ] - [ -0.0065327700000000, 0.0054785100000000, 0.0195584100000000 ] - [ 0.0005210800000000, -0.0003887700000000, -0.0015182800000000 ] - [ 0.0006329000000000, -0.0001824300000000, -0.0021810900000000 ] - [ 0.0072695300000000, -0.0052766000000000, 0.0027927800000000 ] - [ 0.0008972300000000, 0.0018238500000000, 0.0015726700000000 ] - [ -0.0005001600000000, 0.0016239600000000, -0.0021646700000000 ] - [ -0.0001507500000000, -0.0001093300000000, -0.0011833200000000 ] - [ -0.0039577600000000, 0.0049941300000000, -0.0059144100000000 ] - [ -0.0006681200000000, -0.0009246600000000, -0.0006141700000000 ] - [ -0.0001939700000000, -0.0025466600000000, -0.0037327600000000 ] - [ 0.0000284000000000, 0.0013844400000000, -0.0004697700000000 ] - [ -0.0065327700000000, -0.0054785100000000, 0.0195584100000000 ] - [ -0.0002541200000000, 0.0000034000000000, 0.0023200700000000 ] - [ 0.0006329000000000, 0.0001824300000000, -0.0021810900000000 ] - [ 0.0005210800000000, 0.0003887700000000, -0.0015182800000000 ] - [ 0.0007938100000000, 0.0016459100000000, -0.0023611700000000 ] - [ 0.0000440300000000, 0.0000181200000000, -0.0010001300000000 ] - [ -0.0071392300000000, -0.0063711300000000, -0.0004300400000000 ] - [ -0.0004529500000000, 0.0015715500000000, 0.0009228100000000 ] - [ -0.0039577600000000, -0.0049941300000000, -0.0059144100000000 ] - [ -0.0006681200000000, 0.0009246600000000, -0.0006141700000000 ] - [ -0.0001939700000000, 0.0025466600000000, -0.0037327600000000 ] - [ 0.0000284000000000, -0.0013844400000000, -0.0004697700000000 ] - [ 0.0008972300000000, -0.0018238500000000, 0.0015726700000000 ] - [ 0.0072695300000000, 0.0052766000000000, 0.0027927800000000 ] - [ -0.0001507500000000, 0.0001093300000000, -0.0011833200000000 ] - [ -0.0005001600000000, -0.0016239600000000, -0.0021646700000000 ] - [ -0.0006468900000000, -0.0018902500000000, 0.0018629300000000 ] - [ -0.0006468900000000, 0.0018902500000000, 0.0018629300000000 ] - [ 0.0006934400000000, 0.0009257900000000, -0.0014275300000000 ] - [ 0.0006934400000000, -0.0009257900000000, -0.0014275300000000 ] - [ -0.0029543300000000, 0.0000000000000000, -0.0013027500000000 ] - [ -0.0001295800000000, 0.0000000000000000, -0.0000220400000000 ] - [ 0.0023389900000000, 0.0000000000000000, -0.0058383900000000 ] - [ 0.0006514000000000, 0.0000000000000000, -0.0011804300000000 ] - [ -0.0011155800000000, 0.0000000000000000, -0.0036969400000000 ] - [ -0.0003969400000000, 0.0000000000000000, -0.0009983400000000 ] - [ 0.0899613500000000, 0.0000000000000000, 0.1075575400000000 ] - [ 0.0010116800000000, 0.0000000000000000, 0.0019150000000000 ] - [ 0.0018602000000000, 0.0042623400000000, 0.0051577800000000 ] - [ 0.0018602000000000, -0.0042623400000000, 0.0051577800000000 ] - [ -0.0011537600000000, -0.0002959800000000, -0.0029323900000000 ] - [ -0.0011537600000000, 0.0002959800000000, -0.0029323900000000 ] - [ 0.0011740200000000, 0.0001952000000000, 0.0048762500000000 ] - [ 0.0011740200000000, -0.0001952000000000, 0.0048762500000000 ] - [ -0.0006751600000000, 0.0000075900000000, -0.0032250200000000 ] - [ -0.0006751600000000, -0.0000075900000000, -0.0032250200000000 ] - [ -0.0014131900000000, 0.0000000000000000, -0.0042963900000000 ] - [ -0.0003845200000000, 0.0000000000000000, -0.0013052600000000 ] - [ 0.0091177000000000, 0.0000000000000000, -0.0054132600000000 ] - [ 0.0002080100000000, 0.0000000000000000, 0.0013959200000000 ] - [ 0.0048772700000000, 0.0000000000000000, -0.0100641600000000 ] - [ 0.0002880600000000, 0.0000000000000000, -0.0007080200000000 ] - [ -0.0009964000000000, 0.0000000000000000, -0.0088566600000000 ] - [ 0.0001128600000000, 0.0000000000000000, -0.0005029800000000 ] - [ -0.0013729100000000, -0.0071897000000000, 0.0046783600000000 ] - [ -0.0013729100000000, 0.0071897000000000, 0.0046783600000000 ] - [ 0.0004288100000000, 0.0007432800000000, -0.0028483500000000 ] - [ 0.0004288100000000, -0.0007432800000000, -0.0028483500000000 ] - [ 0.0001740400000000, 0.0000000000000000, 0.0098847100000000 ] - [ 0.0003727500000000, 0.0000000000000000, 0.0021372400000000 ] - [ -0.0006288300000000, 0.0000000000000000, -0.0040058100000000 ] - [ -0.0004453000000000, 0.0000000000000000, -0.0021264500000000 ] - [ -0.0007628700000000, -0.0012720800000000, -0.0023063700000000 ] - [ -0.0007628700000000, 0.0012720800000000, -0.0023063700000000 ] - [ -0.0002436700000000, 0.0028751500000000, 0.0028778800000000 ] - [ -0.0002436700000000, -0.0028751500000000, 0.0028778800000000 ] - [ 0.0010154600000000, -0.0023543300000000, -0.0017515200000000 ] - [ 0.0010154600000000, 0.0023543300000000, -0.0017515200000000 ] - [ 0.0001952300000000, 0.0025451300000000, -0.0019748400000000 ] - [ 0.0001952300000000, -0.0025451300000000, -0.0019748400000000 ] - [ -0.0454765800000000, 0.0000000000000000, 0.1283459900000000 ] - [ -0.0004249100000000, 0.0000000000000000, 0.0020198300000000 ] - [ 0.0005762100000000, 0.0000000000000000, -0.0041959100000000 ] - [ 0.0002065700000000, 0.0000000000000000, -0.0013618900000000 ] - [ -0.0101410900000000, 0.0196809800000000, 0.0171644100000000 ] - [ -0.0009478200000000, -0.0029040600000000, 0.0000666300000000 ] - [ 0.0004737000000000, -0.0030158400000000, 0.0060695200000000 ] - [ -0.0002247000000000, 0.0014153800000000, 0.0021930900000000 ] - [ -0.0009478200000000, 0.0029040600000000, 0.0000666300000000 ] - [ -0.0101410900000000, -0.0196809800000000, 0.0171644100000000 ] - [ -0.0002247000000000, -0.0014153800000000, 0.0021930900000000 ] - [ 0.0004737000000000, 0.0030158400000000, 0.0060695200000000 ] - [ 0.0000663400000000, 0.0007925100000000, 0.0045787700000000 ] - [ 0.0001269500000000, -0.0004138100000000, 0.0029094800000000 ] - [ -0.0037254700000000, -0.0082701600000000, -0.0108898500000000 ] - [ 0.0000048500000000, 0.0010792700000000, -0.0036306400000000 ] - [ 0.0001269500000000, 0.0004138100000000, 0.0029094800000000 ] - [ 0.0000663400000000, -0.0007925100000000, 0.0045787700000000 ] - [ 0.0000048500000000, -0.0010792700000000, -0.0036306400000000 ] - [ -0.0037254700000000, 0.0082701600000000, -0.0108898500000000 ] - [ -0.0322225800000000, 0.0000000000000000, -0.2917398500000000 ] - [ -0.0003290700000000, 0.0000000000000000, -0.0036017200000000 ] - [ -0.0002005000000000, 0.0000000000000000, 0.0058319100000000 ] - [ -0.0003522300000000, 0.0000000000000000, 0.0029612000000000 ] - [ 0.0002196200000000, 0.0013757900000000, 0.0029203400000000 ] - [ 0.0002196200000000, -0.0013757900000000, 0.0029203400000000 ] - [ 0.0010323100000000, -0.0075022400000000, -0.0011184900000000 ] - [ 0.0010323100000000, 0.0075022400000000, -0.0011184900000000 ] - [ 0.0026546300000000, 0.0045912000000000, 0.0020351100000000 ] - [ 0.0026546300000000, -0.0045912000000000, 0.0020351100000000 ] - [ -0.0010370500000000, -0.0040084500000000, 0.0020262300000000 ] - [ -0.0010370500000000, 0.0040084500000000, 0.0020262300000000 ] - [ -0.0045082000000000, 0.0000000000000000, -0.0082070300000000 ] - [ -0.0010239900000000, 0.0000000000000000, -0.0029677300000000 ] - [ -0.0005312500000000, 0.0000000000000000, 0.0053665600000000 ] - [ -0.0000015900000000, 0.0000000000000000, 0.0017522300000000 ] - [ -0.0016103300000000, 0.0043855900000000, -0.0066972200000000 ] - [ -0.0016103300000000, -0.0043855900000000, -0.0066972200000000 ] - [ 0.0007843000000000, -0.0011894700000000, 0.0036958200000000 ] - [ 0.0007843000000000, 0.0011894700000000, 0.0036958200000000 ] - [ 0.0062019900000000, 0.0000000000000000, 0.0116726300000000 ] - [ 0.0007970600000000, 0.0000000000000000, 0.0012785000000000 ] - [ -0.0015932400000000, 0.0000000000000000, 0.0151600700000000 ] - [ -0.0012519200000000, 0.0000000000000000, 0.0003264300000000 ] - [ -0.0018652800000000, 0.0000000000000000, 0.0075646400000000 ] - [ -0.0002325700000000, 0.0000000000000000, 0.0016315400000000 ] - [ 0.0232530200000000, 0.0000000000000000, 0.0199150700000000 ] - [ -0.0010683100000000, 0.0000000000000000, -0.0013324800000000 ] - [ 0.0008084500000000, 0.0014655200000000, -0.0161199900000000 ] - [ 0.0008084500000000, -0.0014655200000000, -0.0161199900000000 ] - [ 0.0003652300000000, 0.0000807100000000, 0.0047164200000000 ] - [ 0.0003652300000000, -0.0000807100000000, 0.0047164200000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0011301400000000, 0.0007878700000000, 0.0025336500000000 ] - [ -0.0003829900000000, -0.0008393800000000, 0.0011768100000000 ] - [ 0.0068357100000000, -0.0072352700000000, 0.0006272700000000 ] - [ 0.0001147000000000, 0.0007176900000000, -0.0007360900000000 ] - [ 0.0005977700000000, -0.0008930500000000, -0.0024992800000000 ] - [ 0.0071963800000000, -0.0068368800000000, -0.0198725400000000 ] - [ -0.0001791400000000, -0.0004643200000000, 0.0013388700000000 ] - [ -0.0002912000000000, -0.0006753300000000, 0.0020013900000000 ] - [ -0.0069429500000000, 0.0061414100000000, -0.0026260100000000 ] - [ -0.0005569800000000, -0.0009674400000000, -0.0014015000000000 ] - [ 0.0008444300000000, -0.0007639400000000, 0.0023427100000000 ] - [ 0.0004910700000000, 0.0009621700000000, 0.0013635300000000 ] - [ 0.0036189900000000, -0.0041566000000000, 0.0057567700000000 ] - [ 0.0003270200000000, 0.0017836600000000, 0.0004308100000000 ] - [ -0.0001551900000000, 0.0033746000000000, 0.0035285300000000 ] - [ -0.0003690500000000, -0.0005237900000000, 0.0002966100000000 ] - [ 0.0071963800000000, 0.0068368800000000, -0.0198725400000000 ] - [ 0.0005977700000000, 0.0008930500000000, -0.0024992800000000 ] - [ -0.0002912000000000, 0.0006753300000000, 0.0020013900000000 ] - [ -0.0001791400000000, 0.0004643200000000, 0.0013388700000000 ] - [ -0.0011301400000000, -0.0007878700000000, 0.0025336500000000 ] - [ -0.0003829900000000, 0.0008393800000000, 0.0011768100000000 ] - [ 0.0068357100000000, 0.0072352700000000, 0.0006272700000000 ] - [ 0.0001147000000000, -0.0007176900000000, -0.0007360900000000 ] - [ 0.0036189900000000, 0.0041566000000000, 0.0057567700000000 ] - [ 0.0003270200000000, -0.0017836600000000, 0.0004308100000000 ] - [ -0.0001551900000000, -0.0033746000000000, 0.0035285300000000 ] - [ -0.0003690500000000, 0.0005237900000000, 0.0002966100000000 ] - [ -0.0005569800000000, 0.0009674400000000, -0.0014015000000000 ] - [ -0.0069429500000000, -0.0061414100000000, -0.0026260100000000 ] - [ 0.0004910700000000, -0.0009621700000000, 0.0013635300000000 ] - [ 0.0008444300000000, 0.0007639400000000, 0.0023427100000000 ] - [ 0.0001811100000000, 0.0018952100000000, -0.0009222500000000 ] - [ 0.0001811100000000, -0.0018952100000000, -0.0009222500000000 ] - [ -0.0011634400000000, -0.0009188100000000, 0.0023838200000000 ] - [ -0.0011634400000000, 0.0009188100000000, 0.0023838200000000 ] - [ 0.0034652600000000, 0.0000000000000000, 0.0003475900000000 ] - [ 0.0006059700000000, 0.0000000000000000, -0.0009410300000000 ] - [ -0.0018467900000000, 0.0000000000000000, 0.0048486500000000 ] - [ -0.0001787100000000, 0.0000000000000000, 0.0002304900000000 ] - [ 0.0015830200000000, 0.0000000000000000, 0.0046443400000000 ] - [ 0.0008700200000000, 0.0000000000000000, 0.0019523100000000 ] - [ -0.0846557000000000, 0.0000000000000000, -0.1029012400000000 ] - [ -0.0005319400000000, 0.0000000000000000, -0.0009507600000000 ] - [ -0.0022983000000000, -0.0042815500000000, -0.0060747500000000 ] - [ -0.0022983000000000, 0.0042815500000000, -0.0060747500000000 ] - [ 0.0006772900000000, 0.0002973000000000, 0.0019735500000000 ] - [ 0.0006772900000000, -0.0002973000000000, 0.0019735500000000 ] - [ -0.0013068900000000, -0.0002083300000000, -0.0053274200000000 ] - [ -0.0013068900000000, 0.0002083300000000, -0.0053274200000000 ] - [ 0.0005604600000000, -0.0000054000000000, 0.0027756800000000 ] - [ 0.0005604600000000, 0.0000054000000000, 0.0027756800000000 ] - [ 0.0015328600000000, 0.0000000000000000, 0.0047522700000000 ] - [ 0.0004994500000000, 0.0000000000000000, 0.0017486500000000 ] - [ -0.0088293000000000, 0.0000000000000000, 0.0058130800000000 ] - [ -0.0000918000000000, 0.0000000000000000, -0.0009363500000000 ] - [ -0.0047273100000000, 0.0000000000000000, 0.0095419700000000 ] - [ -0.0001720500000000, 0.0000000000000000, 0.0002512300000000 ] - [ 0.0010943500000000, 0.0000000000000000, 0.0084291400000000 ] - [ -0.0000004900000000, 0.0000000000000000, 0.0000642100000000 ] - [ 0.0012729600000000, 0.0072069200000000, -0.0042721500000000 ] - [ 0.0012729600000000, -0.0072069200000000, -0.0042721500000000 ] - [ -0.0005465000000000, -0.0007366100000000, 0.0032937400000000 ] - [ -0.0005465000000000, 0.0007366100000000, 0.0032937400000000 ] - [ -0.0003926000000000, 0.0000000000000000, -0.0103290300000000 ] - [ -0.0005657400000000, 0.0000000000000000, -0.0025961600000000 ] - [ 0.0004424400000000, 0.0000000000000000, 0.0035437500000000 ] - [ 0.0002569300000000, 0.0000000000000000, 0.0016677100000000 ] - [ 0.0009543400000000, 0.0012776000000000, 0.0027634500000000 ] - [ 0.0009543400000000, -0.0012776000000000, 0.0027634500000000 ] - [ 0.0004351500000000, -0.0028622800000000, -0.0023876200000000 ] - [ 0.0004351500000000, 0.0028622800000000, -0.0023876200000000 ] - [ -0.0008297300000000, 0.0023572400000000, 0.0012870100000000 ] - [ -0.0008297300000000, -0.0023572400000000, 0.0012870100000000 ] - [ -0.0000130800000000, -0.0025367500000000, 0.0015285100000000 ] - [ -0.0000130800000000, 0.0025367500000000, 0.0015285100000000 ] - [ 0.0492221900000000, 0.0000000000000000, -0.1358365200000000 ] - [ 0.0002401100000000, 0.0000000000000000, -0.0015717000000000 ] - [ -0.0007697800000000, 0.0000000000000000, 0.0046468100000000 ] - [ -0.0003963200000000, 0.0000000000000000, 0.0018229800000000 ] - [ 0.0102438000000000, -0.0197145300000000, -0.0172609500000000 ] - [ 0.0009503100000000, 0.0029077300000000, -0.0000576200000000 ] - [ -0.0004534400000000, 0.0030057600000000, -0.0060620700000000 ] - [ 0.0002262100000000, -0.0014088900000000, -0.0022007600000000 ] - [ 0.0009503100000000, -0.0029077300000000, -0.0000576200000000 ] - [ 0.0102438000000000, 0.0197145300000000, -0.0172609500000000 ] - [ 0.0002262100000000, 0.0014088900000000, -0.0022007600000000 ] - [ -0.0004534400000000, -0.0030057600000000, -0.0060620700000000 ] - [ -0.0000713800000000, -0.0007985600000000, -0.0045777400000000 ] - [ -0.0001282600000000, 0.0004177200000000, -0.0029068100000000 ] - [ 0.0037420900000000, 0.0082192100000000, 0.0107519400000000 ] - [ 0.0000021800000000, -0.0010835700000000, 0.0036106500000000 ] - [ -0.0001282600000000, -0.0004177200000000, -0.0029068100000000 ] - [ -0.0000713800000000, 0.0007985600000000, -0.0045777400000000 ] - [ 0.0000021800000000, 0.0010835700000000, 0.0036106500000000 ] - [ 0.0037420900000000, -0.0082192100000000, 0.0107519400000000 ] - [ 0.0215952700000000, 0.0000000000000000, 0.2973275400000000 ] - [ -0.0003053800000000, 0.0000000000000000, 0.0043941700000000 ] - [ -0.0004195300000000, 0.0000000000000000, -0.0050379700000000 ] - [ -0.0002684100000000, 0.0000000000000000, -0.0021727700000000 ] - [ 0.0004031600000000, -0.0013760600000000, -0.0037022100000000 ] - [ 0.0004031600000000, 0.0013760600000000, -0.0037022100000000 ] - [ -0.0004175800000000, 0.0074979000000000, 0.0002988300000000 ] - [ -0.0004175800000000, -0.0074979000000000, 0.0002988300000000 ] - [ -0.0020438600000000, -0.0046151800000000, -0.0012385100000000 ] - [ -0.0020438600000000, 0.0046151800000000, -0.0012385100000000 ] - [ 0.0016474600000000, 0.0039750500000000, -0.0012471900000000 ] - [ 0.0016474600000000, -0.0039750500000000, -0.0012471900000000 ] - [ 0.0038636800000000, 0.0000000000000000, 0.0074720300000000 ] - [ 0.0004019300000000, 0.0000000000000000, 0.0021897700000000 ] - [ -0.0001038200000000, 0.0000000000000000, -0.0061430600000000 ] - [ -0.0006190900000000, 0.0000000000000000, -0.0025442200000000 ] - [ 0.0025278700000000, -0.0043880700000000, 0.0060551200000000 ] - [ 0.0025278700000000, 0.0043880700000000, 0.0060551200000000 ] - [ 0.0001298600000000, 0.0011831700000000, -0.0043659700000000 ] - [ 0.0001298600000000, -0.0011831700000000, -0.0043659700000000 ] - [ -0.0071406300000000, 0.0000000000000000, -0.0110563300000000 ] - [ -0.0017160700000000, 0.0000000000000000, -0.0005966300000000 ] - [ 0.0006702400000000, 0.0000000000000000, -0.0143375600000000 ] - [ 0.0003320200000000, 0.0000000000000000, 0.0003306600000000 ] - [ 0.0009498600000000, 0.0000000000000000, -0.0082263300000000 ] - [ -0.0006854300000000, 0.0000000000000000, -0.0022958600000000 ] - [ -0.0239976100000000, 0.0000000000000000, -0.0205489600000000 ] - [ 0.0001500300000000, 0.0000000000000000, 0.0006434100000000 ] - [ 0.0000674100000000, -0.0012761700000000, 0.0168399200000000 ] - [ 0.0000674100000000, 0.0012761700000000, 0.0168399200000000 ] - [ 0.0005518200000000, -0.0000851600000000, -0.0040398700000000 ] - [ 0.0005518200000000, 0.0000851600000000, -0.0040398700000000 ]- atom: 113 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0027565100000000, -0.0009990800000000, -0.0011455100000000 ] - [ 0.0008450200000000, -0.0005767200000000, -0.0007458600000000 ] - [ 0.0028422100000000, -0.0036316900000000, -0.0019115800000000 ] - [ 0.0001604500000000, 0.0000930600000000, 0.0002955200000000 ] - [ -0.0061355500000000, 0.0011475200000000, -0.0009802000000000 ] - [ -0.0003786000000000, -0.0006807700000000, 0.0004520700000000 ] - [ -0.0008976400000000, 0.0001765700000000, 0.0007019800000000 ] - [ -0.0000825400000000, -0.0006754100000000, -0.0000635200000000 ] - [ 0.0927641100000000, -0.0752265600000000, 0.0133686100000000 ] - [ 0.0017445400000000, -0.0030121700000000, 0.0003324100000000 ] - [ 0.0004471400000000, 0.0002331400000000, 0.0001974100000000 ] - [ 0.0002055300000000, 0.0005495700000000, 0.0000537800000000 ] - [ -0.0016294300000000, -0.0004462300000000, -0.0008396000000000 ] - [ -0.0089307800000000, 0.0045350700000000, 0.0007165700000000 ] - [ -0.0002798500000000, 0.0002037400000000, -0.0000584900000000 ] - [ -0.0005695900000000, 0.0007817100000000, -0.0003139900000000 ] - [ -0.0061355500000000, -0.0011475200000000, -0.0009802000000000 ] - [ -0.0003786000000000, 0.0006807700000000, 0.0004520700000000 ] - [ -0.0008976400000000, -0.0001765700000000, 0.0007019800000000 ] - [ -0.0000825400000000, 0.0006754100000000, -0.0000635200000000 ] - [ 0.0008450200000000, 0.0005767200000000, -0.0007458600000000 ] - [ 0.0027565100000000, 0.0009990800000000, -0.0011455100000000 ] - [ 0.0001604500000000, -0.0000930600000000, 0.0002955200000000 ] - [ 0.0028422100000000, 0.0036316900000000, -0.0019115800000000 ] - [ -0.0089307800000000, -0.0045350700000000, 0.0007165700000000 ] - [ -0.0016294300000000, 0.0004462300000000, -0.0008396000000000 ] - [ -0.0005695900000000, -0.0007817100000000, -0.0003139900000000 ] - [ -0.0002798500000000, -0.0002037400000000, -0.0000584900000000 ] - [ 0.0927641100000000, 0.0752265600000000, 0.0133686100000000 ] - [ 0.0017445400000000, 0.0030121700000000, 0.0003324100000000 ] - [ 0.0004471400000000, -0.0002331400000000, 0.0001974100000000 ] - [ 0.0002055300000000, -0.0005495700000000, 0.0000537800000000 ] - [ 0.2100273100000000, 0.0000000000000000, -0.1433257100000000 ] - [ 0.0011260800000000, 0.0000000000000000, -0.0003553500000000 ] - [ -0.0000966000000000, 0.0000000000000000, 0.0001824400000000 ] - [ -0.0002189800000000, 0.0000000000000000, 0.0004703100000000 ] - [ 0.0056416300000000, -0.0046531200000000, -0.0020409300000000 ] - [ 0.0056416300000000, 0.0046531200000000, -0.0020409300000000 ] - [ 0.0002538600000000, -0.0001661100000000, -0.0005657900000000 ] - [ 0.0002538600000000, 0.0001661100000000, -0.0005657900000000 ] - [ -0.0004757400000000, -0.0001864600000000, -0.0009590200000000 ] - [ -0.0004757400000000, 0.0001864600000000, -0.0009590200000000 ] - [ 0.0000065900000000, 0.0001048600000000, 0.0019042200000000 ] - [ 0.0000065900000000, -0.0001048600000000, 0.0019042200000000 ] - [ -0.0039611400000000, 0.0000000000000000, 0.0038806400000000 ] - [ -0.0002020300000000, 0.0000000000000000, 0.0001133400000000 ] - [ -0.0014340400000000, 0.0000000000000000, -0.0026934000000000 ] - [ -0.0006008400000000, 0.0000000000000000, -0.0010206900000000 ] - [ 0.0483815000000000, 0.0000000000000000, 0.0544554300000000 ] - [ 0.0007250500000000, 0.0000000000000000, 0.0008411100000000 ] - [ 0.0010697200000000, 0.0000000000000000, 0.0009408300000000 ] - [ 0.0000283300000000, 0.0000000000000000, -0.0004960000000000 ] - [ 0.0002428400000000, -0.0013779800000000, 0.0009589600000000 ] - [ 0.0002428400000000, 0.0013779800000000, 0.0009589600000000 ] - [ 0.0001003300000000, -0.0009461800000000, 0.0003057100000000 ] - [ 0.0001003300000000, 0.0009461800000000, 0.0003057100000000 ] - [ -0.0019352400000000, 0.0035389600000000, -0.0052807900000000 ] - [ -0.0019352400000000, -0.0035389600000000, -0.0052807900000000 ] - [ 0.0004105500000000, -0.0004183700000000, -0.0001396600000000 ] - [ 0.0004105500000000, 0.0004183700000000, -0.0001396600000000 ] - [ -0.0147412600000000, 0.0000000000000000, 0.0024184900000000 ] - [ -0.0007847800000000, 0.0000000000000000, 0.0004731900000000 ] - [ -0.0003715200000000, 0.0000000000000000, 0.0000534300000000 ] - [ -0.0001321800000000, 0.0000000000000000, 0.0001238000000000 ] - [ 0.0047121900000000, -0.0020623700000000, 0.0026391700000000 ] - [ 0.0047121900000000, 0.0020623700000000, 0.0026391700000000 ] - [ 0.0002286400000000, -0.0002973600000000, -0.0002364800000000 ] - [ 0.0002286400000000, 0.0002973600000000, -0.0002364800000000 ] - [ -0.0009942200000000, 0.0000000000000000, 0.0105735700000000 ] - [ 0.0002157300000000, 0.0000000000000000, 0.0000505900000000 ] - [ -0.0020618200000000, 0.0000000000000000, -0.0027049100000000 ] - [ 0.0001676300000000, 0.0000000000000000, 0.0007214600000000 ] - [ -0.0054823600000000, 0.0000000000000000, -0.0117857500000000 ] - [ -0.0003053900000000, 0.0000000000000000, -0.0009457600000000 ] - [ 0.0004277100000000, 0.0000000000000000, 0.0003263800000000 ] - [ 0.0000905400000000, 0.0000000000000000, -0.0000050400000000 ] - [ -0.0044873200000000, 0.0019575500000000, 0.0006026000000000 ] - [ -0.0044873200000000, -0.0019575500000000, 0.0006026000000000 ] - [ -0.0002211200000000, -0.0002010500000000, 0.0000806200000000 ] - [ -0.0002211200000000, 0.0002010500000000, 0.0000806200000000 ] - [ 0.0270953400000000, -0.0114872900000000, 0.0115518800000000 ] - [ 0.0024680600000000, 0.0021950300000000, 0.0008213800000000 ] - [ 0.0001037600000000, 0.0000043500000000, -0.0000455300000000 ] - [ 0.0000430200000000, -0.0002065000000000, -0.0000405400000000 ] - [ 0.0270953400000000, 0.0114872900000000, 0.0115518800000000 ] - [ 0.0024680600000000, -0.0021950300000000, 0.0008213800000000 ] - [ 0.0001037600000000, -0.0000043500000000, -0.0000455300000000 ] - [ 0.0000430200000000, 0.0002065000000000, -0.0000405400000000 ] - [ -0.0020315600000000, 0.0030454300000000, -0.0025400200000000 ] - [ -0.0007525000000000, -0.0007652500000000, -0.0000887100000000 ] - [ 0.0030774600000000, 0.0108736600000000, 0.0104473500000000 ] - [ 0.0001748100000000, -0.0008375700000000, -0.0006404100000000 ] - [ -0.0020315600000000, -0.0030454300000000, -0.0025400200000000 ] - [ -0.0007525000000000, 0.0007652500000000, -0.0000887100000000 ] - [ 0.0030774600000000, -0.0108736600000000, 0.0104473500000000 ] - [ 0.0001748100000000, 0.0008375700000000, -0.0006404100000000 ] - [ 0.0038920900000000, 0.0017484300000000, -0.0016753300000000 ] - [ 0.0038920900000000, -0.0017484300000000, -0.0016753300000000 ] - [ 0.0006168600000000, 0.0005000200000000, 0.0007226400000000 ] - [ 0.0006168600000000, -0.0005000200000000, 0.0007226400000000 ] - [ -0.0047740800000000, 0.0000000000000000, 0.0062605900000000 ] - [ -0.0000002900000000, 0.0000000000000000, 0.0008648700000000 ] - [ -0.0059970800000000, 0.0000000000000000, -0.0015147600000000 ] - [ -0.0000812200000000, 0.0000000000000000, -0.0011862400000000 ] - [ 0.0323443900000000, 0.0000000000000000, -0.0233407200000000 ] - [ 0.0006518700000000, 0.0000000000000000, 0.0010044400000000 ] - [ 0.0012685600000000, 0.0000000000000000, 0.0018046800000000 ] - [ 0.0002872600000000, 0.0000000000000000, 0.0001687100000000 ] - [ -0.0222170900000000, -0.0080800200000000, -0.0007638200000000 ] - [ -0.0222170900000000, 0.0080800200000000, -0.0007638200000000 ] - [ -0.0004717700000000, 0.0002867100000000, -0.0002995700000000 ] - [ -0.0004717700000000, -0.0002867100000000, -0.0002995700000000 ] - [ -0.4696419100000000, 0.0000000000000000, 0.0551031900000000 ] - [ -0.0035712200000000, 0.0000000000000000, -0.0010216300000000 ] - [ -0.0001845000000000, 0.0000000000000000, -0.0006457400000000 ] - [ 0.0004655400000000, 0.0000000000000000, -0.0001369600000000 ] - [ 0.0021938200000000, 0.0067451100000000, -0.0013084200000000 ] - [ 0.0021938200000000, -0.0067451100000000, -0.0013084200000000 ] - [ -0.0001706400000000, 0.0005412600000000, 0.0005751600000000 ] - [ -0.0001706400000000, -0.0005412600000000, 0.0005751600000000 ] - [ -0.0023554900000000, 0.0000535100000000, 0.0043033500000000 ] - [ -0.0023554900000000, -0.0000535100000000, 0.0043033500000000 ] - [ -0.0023472100000000, 0.0010648700000000, -0.0021220900000000 ] - [ -0.0023472100000000, -0.0010648700000000, -0.0021220900000000 ] - [ 0.0199359100000000, 0.0000000000000000, -0.0023606300000000 ] - [ 0.0013244800000000, 0.0000000000000000, -0.0007431200000000 ] - [ 0.0027983900000000, 0.0000000000000000, 0.0002495400000000 ] - [ 0.0009860700000000, 0.0000000000000000, 0.0007503400000000 ]- atom: 113 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0031091100000000, 0.0001409100000000, 0.0013214000000000 ] - [ -0.0011874900000000, -0.0002779300000000, 0.0009220000000000 ] - [ -0.0032102000000000, 0.0027906700000000, 0.0021083300000000 ] - [ -0.0005054700000000, -0.0009478100000000, -0.0001155900000000 ] - [ 0.0064981000000000, -0.0019606800000000, 0.0007600200000000 ] - [ 0.0007250200000000, -0.0001795200000000, -0.0006302400000000 ] - [ 0.0012457200000000, -0.0010314900000000, -0.0008841100000000 ] - [ 0.0004255900000000, -0.0001788400000000, -0.0001162400000000 ] - [ -0.0937245500000000, 0.0797743400000000, -0.0137263700000000 ] - [ -0.0014028000000000, 0.0038390700000000, -0.0001537000000000 ] - [ -0.0001071600000000, 0.0006209800000000, -0.0000214100000000 ] - [ 0.0001372900000000, 0.0003048400000000, 0.0001232000000000 ] - [ 0.0012885100000000, 0.0012977800000000, 0.0006632700000000 ] - [ 0.0086388400000000, -0.0036730000000000, -0.0008747300000000 ] - [ -0.0000638400000000, 0.0006491900000000, -0.0001213800000000 ] - [ 0.0002286100000000, 0.0000726100000000, 0.0001337400000000 ] - [ 0.0064981000000000, 0.0019606800000000, 0.0007600200000000 ] - [ 0.0007250200000000, 0.0001795200000000, -0.0006302400000000 ] - [ 0.0012457200000000, 0.0010314900000000, -0.0008841100000000 ] - [ 0.0004255900000000, 0.0001788400000000, -0.0001162400000000 ] - [ -0.0011874900000000, 0.0002779300000000, 0.0009220000000000 ] - [ -0.0031091100000000, -0.0001409100000000, 0.0013214000000000 ] - [ -0.0005054700000000, 0.0009478100000000, -0.0001155900000000 ] - [ -0.0032102000000000, -0.0027906700000000, 0.0021083300000000 ] - [ 0.0086388400000000, 0.0036730000000000, -0.0008747300000000 ] - [ 0.0012885100000000, -0.0012977800000000, 0.0006632700000000 ] - [ 0.0002286100000000, -0.0000726100000000, 0.0001337400000000 ] - [ -0.0000638400000000, -0.0006491900000000, -0.0001213800000000 ] - [ -0.0937245500000000, -0.0797743400000000, -0.0137263700000000 ] - [ -0.0014028000000000, -0.0038390700000000, -0.0001537000000000 ] - [ -0.0001071600000000, -0.0006209800000000, -0.0000214100000000 ] - [ 0.0001372900000000, -0.0003048400000000, 0.0001232000000000 ] - [ -0.2016290900000000, 0.0000000000000000, 0.1353563900000000 ] - [ -0.0015935400000000, 0.0000000000000000, 0.0013097900000000 ] - [ -0.0003780900000000, 0.0000000000000000, 0.0007730300000000 ] - [ -0.0002556400000000, 0.0000000000000000, 0.0004849300000000 ] - [ -0.0051411500000000, 0.0046483700000000, 0.0010881400000000 ] - [ -0.0051411500000000, -0.0046483700000000, 0.0010881400000000 ] - [ 0.0002235100000000, 0.0001660000000000, -0.0003937600000000 ] - [ 0.0002235100000000, -0.0001660000000000, -0.0003937600000000 ] - [ 0.0009480100000000, 0.0001847900000000, 0.0019109100000000 ] - [ 0.0009480100000000, -0.0001847900000000, 0.0019109100000000 ] - [ 0.0004532100000000, -0.0001155700000000, -0.0009549400000000 ] - [ 0.0004532100000000, 0.0001155700000000, -0.0009549400000000 ] - [ 0.0034821900000000, 0.0000000000000000, -0.0049183100000000 ] - [ -0.0002759700000000, 0.0000000000000000, -0.0010692700000000 ] - [ 0.0009627000000000, 0.0000000000000000, 0.0017509700000000 ] - [ 0.0001239800000000, 0.0000000000000000, 0.0000612100000000 ] - [ -0.0488920900000000, 0.0000000000000000, -0.0543654300000000 ] - [ -0.0008353200000000, 0.0000000000000000, -0.0012828500000000 ] - [ -0.0011896700000000, 0.0000000000000000, -0.0013981300000000 ] - [ -0.0001445900000000, 0.0000000000000000, 0.0000454900000000 ] - [ -0.0001226200000000, 0.0013793200000000, -0.0005089000000000 ] - [ -0.0001226200000000, -0.0013793200000000, -0.0005089000000000 ] - [ 0.0000232000000000, 0.0009407900000000, 0.0001388100000000 ] - [ 0.0000232000000000, -0.0009407900000000, 0.0001388100000000 ] - [ 0.0020327300000000, -0.0035341900000000, 0.0048065700000000 ] - [ 0.0020327300000000, 0.0035341900000000, 0.0048065700000000 ] - [ -0.0002983200000000, 0.0004191300000000, -0.0003106000000000 ] - [ -0.0002983200000000, -0.0004191300000000, -0.0003106000000000 ] - [ 0.0147022200000000, 0.0000000000000000, -0.0019703200000000 ] - [ 0.0006639000000000, 0.0000000000000000, -0.0000185300000000 ] - [ 0.0002576800000000, 0.0000000000000000, 0.0003935900000000 ] - [ 0.0000171100000000, 0.0000000000000000, 0.0003227400000000 ] - [ -0.0048732300000000, 0.0020789000000000, -0.0030852500000000 ] - [ -0.0048732300000000, -0.0020789000000000, -0.0030852500000000 ] - [ -0.0004186100000000, 0.0002976200000000, -0.0002280700000000 ] - [ -0.0004186100000000, -0.0002976200000000, -0.0002280700000000 ] - [ 0.0011930700000000, 0.0000000000000000, -0.0101562100000000 ] - [ -0.0000252000000000, 0.0000000000000000, 0.0004105600000000 ] - [ 0.0022963800000000, 0.0000000000000000, 0.0031930900000000 ] - [ 0.0000246700000000, 0.0000000000000000, -0.0002572300000000 ] - [ 0.0056647300000000, 0.0000000000000000, 0.0114433600000000 ] - [ 0.0004914000000000, 0.0000000000000000, 0.0004820000000000 ] - [ -0.0002432000000000, 0.0000000000000000, -0.0008013400000000 ] - [ 0.0000988700000000, 0.0000000000000000, -0.0004585600000000 ] - [ 0.0042674600000000, -0.0019866200000000, -0.0001238300000000 ] - [ 0.0042674600000000, 0.0019866200000000, -0.0001238300000000 ] - [ 0.0000311600000000, 0.0002008100000000, 0.0003793200000000 ] - [ 0.0000311600000000, -0.0002008100000000, 0.0003793200000000 ] - [ -0.0271433600000000, 0.0117066700000000, -0.0116815900000000 ] - [ -0.0024456200000000, -0.0021963300000000, -0.0008280300000000 ] - [ -0.0001029900000000, 0.0000001900000000, 0.0000508400000000 ] - [ -0.0000425200000000, 0.0002058700000000, 0.0000431000000000 ] - [ -0.0271433600000000, -0.0117066700000000, -0.0116815900000000 ] - [ -0.0024456200000000, 0.0021963300000000, -0.0008280300000000 ] - [ -0.0001029900000000, -0.0000001900000000, 0.0000508400000000 ] - [ -0.0000425200000000, -0.0002058700000000, 0.0000431000000000 ] - [ 0.0020320500000000, -0.0030543000000000, 0.0025509400000000 ] - [ 0.0007513200000000, 0.0007655300000000, 0.0000914600000000 ] - [ -0.0031783500000000, -0.0108822500000000, -0.0104343000000000 ] - [ -0.0001830600000000, 0.0008364300000000, 0.0006315000000000 ] - [ 0.0020320500000000, 0.0030543000000000, 0.0025509400000000 ] - [ 0.0007513200000000, -0.0007655300000000, 0.0000914600000000 ] - [ -0.0031783500000000, 0.0108822500000000, -0.0104343000000000 ] - [ -0.0001830600000000, -0.0008364300000000, 0.0006315000000000 ] - [ -0.0044981200000000, -0.0016967500000000, 0.0024634100000000 ] - [ -0.0044981200000000, 0.0016967500000000, 0.0024634100000000 ] - [ -0.0012383400000000, -0.0004994500000000, 0.0000673700000000 ] - [ -0.0012383400000000, 0.0004994500000000, 0.0000673700000000 ] - [ 0.0054488800000000, 0.0000000000000000, -0.0070827400000000 ] - [ 0.0006216700000000, 0.0000000000000000, -0.0016479600000000 ] - [ 0.0066938900000000, 0.0000000000000000, 0.0007492600000000 ] - [ 0.0007046300000000, 0.0000000000000000, 0.0003979900000000 ] - [ -0.0316838600000000, 0.0000000000000000, 0.0239093000000000 ] - [ -0.0000355300000000, 0.0000000000000000, -0.0002144500000000 ] - [ -0.0006528000000000, 0.0000000000000000, -0.0010103500000000 ] - [ 0.0003329000000000, 0.0000000000000000, 0.0006216500000000 ] - [ 0.0215281400000000, 0.0079304800000000, -0.0000221300000000 ] - [ 0.0215281400000000, -0.0079304800000000, -0.0000221300000000 ] - [ -0.0001489700000000, -0.0002860500000000, -0.0004860600000000 ] - [ -0.0001489700000000, 0.0002860500000000, -0.0004860600000000 ] - [ 0.4647574900000000, 0.0000000000000000, -0.0459971700000000 ] - [ 0.0044696800000000, 0.0000000000000000, 0.0003440900000000 ] - [ 0.0011047400000000, 0.0000000000000000, -0.0000203900000000 ] - [ 0.0004514600000000, 0.0000000000000000, -0.0005322700000000 ] - [ -0.0031272600000000, -0.0067443400000000, 0.0019707400000000 ] - [ -0.0031272600000000, 0.0067443400000000, 0.0019707400000000 ] - [ -0.0007480000000000, -0.0005391000000000, 0.0001033200000000 ] - [ -0.0007480000000000, 0.0005391000000000, 0.0001033200000000 ] - [ 0.0014402800000000, -0.0000499800000000, -0.0049641800000000 ] - [ 0.0014402800000000, 0.0000499800000000, -0.0049641800000000 ] - [ 0.0014486600000000, -0.0010683800000000, 0.0014547800000000 ] - [ 0.0014486600000000, 0.0010683800000000, 0.0014547800000000 ] - [ -0.0190568400000000, 0.0000000000000000, 0.0031564700000000 ] - [ -0.0004023500000000, 0.0000000000000000, 0.0014108600000000 ] - [ -0.0018943900000000, 0.0000000000000000, 0.0004238800000000 ] - [ -0.0000685800000000, 0.0000000000000000, -0.0000747100000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004717800000000, 0.0013782200000000, 0.0020710900000000 ] - [ 0.0005503700000000, -0.0024865800000000, -0.0013211100000000 ] - [ -0.0004500900000000, 0.0021538400000000, -0.0011245500000000 ] - [ -0.0008101300000000, -0.0025974800000000, 0.0015528600000000 ] - [ 0.0011453900000000, 0.0036153800000000, 0.0008810600000000 ] - [ -0.0008285900000000, -0.0042868400000000, -0.0008292000000000 ] - [ 0.0002848200000000, 0.0005516100000000, -0.0004125500000000 ] - [ 0.0000684100000000, -0.0014067200000000, 0.0002298800000000 ] - [ -0.0771355700000000, 0.1588890700000000, -0.0139842400000000 ] - [ 0.0004251000000000, -0.0093727300000000, -0.0000696600000000 ] - [ 0.0001264500000000, 0.0010610300000000, 0.0000647500000000 ] - [ 0.0002084700000000, -0.0002012400000000, 0.0001154600000000 ] - [ -0.0012561700000000, -0.0031014200000000, 0.0011627200000000 ] - [ -0.0004520800000000, 0.0045130400000000, -0.0008473600000000 ] - [ -0.0003704800000000, -0.0003819500000000, -0.0005270400000000 ] - [ 0.0000828100000000, 0.0012161200000000, 0.0003956700000000 ] - [ -0.0007908400000000, 0.0045101700000000, -0.0010547000000000 ] - [ 0.0011512900000000, -0.0034328100000000, 0.0006517600000000 ] - [ 0.0000589500000000, 0.0014118800000000, 0.0002321800000000 ] - [ 0.0002726500000000, -0.0005533700000000, -0.0004068900000000 ] - [ -0.0008893900000000, -0.0016271600000000, 0.0015023100000000 ] - [ 0.0001322000000000, 0.0022215700000000, -0.0018953300000000 ] - [ 0.0004837900000000, -0.0017379800000000, -0.0013894800000000 ] - [ 0.0000998400000000, 0.0029628800000000, 0.0013176800000000 ] - [ 0.0001054400000000, 0.0036953000000000, 0.0006622800000000 ] - [ 0.0008941600000000, -0.0039587100000000, -0.0013389800000000 ] - [ -0.0004265800000000, 0.0003708900000000, -0.0005727700000000 ] - [ 0.0000258000000000, -0.0012397400000000, 0.0003453500000000 ] - [ 0.0712609900000000, 0.1503061500000000, 0.0126975100000000 ] - [ -0.0000651000000000, -0.0102253900000000, 0.0002566700000000 ] - [ 0.0002145600000000, 0.0002024400000000, 0.0001143100000000 ] - [ 0.0001351600000000, -0.0010536400000000, 0.0000628700000000 ] - [ -0.0010465300000000, 0.0304240700000000, 0.0010887800000000 ] - [ -0.0002370000000000, -0.0040612700000000, 0.0004797100000000 ] - [ -0.0002377500000000, 0.0004872900000000, 0.0004806300000000 ] - [ -0.0002363700000000, -0.0004711500000000, 0.0004767300000000 ] - [ -0.0099298500000000, -0.0045553600000000, 0.0076694500000000 ] - [ 0.0103280000000000, -0.0045382500000000, -0.0085533600000000 ] - [ 0.0003814200000000, -0.0000112700000000, -0.0010835400000000 ] - [ 0.0000931100000000, -0.0000144700000000, 0.0001251200000000 ] - [ 0.0011907000000000, 0.0000668200000000, 0.0028724000000000 ] - [ -0.0007185700000000, 0.0000635900000000, -0.0019186100000000 ] - [ 0.0004150100000000, -0.0005119800000000, -0.0021405300000000 ] - [ 0.0000635600000000, -0.0005233900000000, 0.0030990200000000 ] - [ -0.0002483700000000, 0.0041551100000000, -0.0004705700000000 ] - [ -0.0002369800000000, -0.0020525100000000, -0.0004798200000000 ] - [ -0.0002376900000000, 0.0009032300000000, -0.0004806300000000 ] - [ -0.0002367000000000, -0.0009530200000000, -0.0004771300000000 ] - [ -0.0003229600000000, 0.0436407500000000, -0.0008402000000000 ] - [ -0.0000574600000000, -0.0052454200000000, -0.0002268300000000 ] - [ -0.0000591000000000, 0.0010381200000000, -0.0002270600000000 ] - [ -0.0000572200000000, -0.0009298700000000, -0.0002231200000000 ] - [ -0.0002984600000000, 0.0001098700000000, 0.0032690100000000 ] - [ 0.0004097000000000, 0.0000993900000000, -0.0028023000000000 ] - [ -0.0013468200000000, 0.0001091100000000, -0.0029664800000000 ] - [ 0.0014497100000000, 0.0000955900000000, 0.0033925400000000 ] - [ 0.0024519700000000, -0.0049821200000000, 0.0079204000000000 ] - [ -0.0023304400000000, -0.0050042300000000, -0.0083877800000000 ] - [ 0.0001659800000000, 0.0000266900000000, -0.0014274500000000 ] - [ -0.0000516000000000, 0.0000190400000000, 0.0009781900000000 ] - [ -0.0000420700000000, 0.0123654300000000, 0.0002211700000000 ] - [ -0.0000576900000000, -0.0043546900000000, 0.0002257500000000 ] - [ -0.0000582200000000, 0.0006266300000000, 0.0002243800000000 ] - [ -0.0000573900000000, -0.0006112800000000, 0.0002242000000000 ] - [ -0.0063410800000000, -0.0079928400000000, -0.0104773300000000 ] - [ 0.0061128600000000, -0.0079360100000000, 0.0099306300000000 ] - [ -0.0000128900000000, -0.0000584100000000, 0.0006345700000000 ] - [ -0.0001742800000000, -0.0000624700000000, -0.0010917900000000 ] - [ 0.0000986000000000, 0.0019705500000000, 0.0002089600000000 ] - [ 0.0000945900000000, -0.0022203900000000, 0.0002333000000000 ] - [ 0.0001088900000000, 0.0011571300000000, 0.0002575500000000 ] - [ 0.0000924300000000, -0.0019783500000000, 0.0002251200000000 ] - [ 0.0000915300000000, 0.0150482900000000, -0.0002243000000000 ] - [ 0.0000941100000000, -0.0044715500000000, -0.0002258900000000 ] - [ 0.0000940800000000, 0.0011771900000000, -0.0002261500000000 ] - [ 0.0000956200000000, -0.0011640700000000, -0.0002321400000000 ] - [ 0.0063653100000000, -0.0053748600000000, -0.0007740200000000 ] - [ -0.0065949800000000, -0.0054198100000000, 0.0012407900000000 ] - [ -0.0000156400000000, -0.0000077500000000, 0.0003189500000000 ] - [ -0.0001736000000000, -0.0000113500000000, 0.0001397500000000 ] - [ -0.0308570400000000, -0.0055286200000000, -0.0170017500000000 ] - [ 0.0016587400000000, 0.0083325000000000, 0.0012437300000000 ] - [ 0.0000179300000000, -0.0010473400000000, 0.0003789500000000 ] - [ -0.0000167200000000, 0.0010447100000000, -0.0003773300000000 ] - [ 0.0308063200000000, -0.0055381500000000, 0.0169998900000000 ] - [ -0.0016633400000000, 0.0083096600000000, -0.0012400400000000 ] - [ -0.0000174300000000, -0.0010420200000000, -0.0003809300000000 ] - [ 0.0000169200000000, 0.0010393900000000, 0.0003796700000000 ] - [ 0.0006366600000000, -0.0020463300000000, -0.0015167000000000 ] - [ -0.0003263900000000, 0.0020233600000000, 0.0013169300000000 ] - [ 0.0039707300000000, -0.0069188000000000, 0.0104231200000000 ] - [ -0.0015186600000000, 0.0071056000000000, -0.0040026400000000 ] - [ -0.0006378200000000, -0.0020267000000000, 0.0015220200000000 ] - [ 0.0003238800000000, 0.0020208200000000, -0.0013246700000000 ] - [ -0.0039509400000000, -0.0067864300000000, -0.0103962800000000 ] - [ 0.0015445800000000, 0.0071427000000000, 0.0040509600000000 ] - [ -0.0023031700000000, 0.0009818900000000, 0.0047754300000000 ] - [ 0.0016957100000000, 0.0010127300000000, -0.0039982700000000 ] - [ -0.0008271700000000, 0.0000025400000000, -0.0007934200000000 ] - [ 0.0002068200000000, 0.0000084700000000, 0.0015795200000000 ] - [ 0.0003162100000000, -0.0045785800000000, -0.0003801500000000 ] - [ 0.0003106600000000, 0.0037064100000000, -0.0003968600000000 ] - [ 0.0003236000000000, -0.0045152800000000, -0.0004248300000000 ] - [ 0.0003071400000000, 0.0034849400000000, -0.0003895000000000 ] - [ 0.0003069400000000, -0.0044245300000000, 0.0003873200000000 ] - [ 0.0003165500000000, 0.0062456100000000, 0.0003872900000000 ] - [ 0.0003084700000000, -0.0015306800000000, 0.0003868200000000 ] - [ 0.0003124600000000, 0.0014035100000000, 0.0003981500000000 ] - [ 0.0092032600000000, 0.0531570800000000, -0.0017987500000000 ] - [ -0.0099187900000000, 0.0525829800000000, 0.0009440600000000 ] - [ -0.0005542900000000, 0.0000051600000000, -0.0004771000000000 ] - [ -0.0000690900000000, 0.0000097600000000, -0.0003113600000000 ] - [ 0.0079086900000000, -0.4533008200000000, 0.0012185800000000 ] - [ 0.0004533100000000, 0.0120160600000000, -0.0003385000000000 ] - [ 0.0004595800000000, -0.0010910000000000, -0.0003354900000000 ] - [ 0.0004567600000000, 0.0010715100000000, -0.0003354400000000 ] - [ 0.0063279100000000, -0.0007721000000000, -0.0069617200000000 ] - [ -0.0071628600000000, -0.0007357100000000, 0.0075800100000000 ] - [ 0.0000842600000000, 0.0000510900000000, 0.0022932000000000 ] - [ -0.0009965300000000, 0.0000616000000000, -0.0016126600000000 ] - [ 0.0006060100000000, 0.0004836600000000, -0.0077553400000000 ] - [ -0.0015279700000000, 0.0004956900000000, 0.0070806600000000 ] - [ -0.0004105800000000, 0.0004743700000000, 0.0039734300000000 ] - [ -0.0005144000000000, 0.0005044200000000, -0.0046331000000000 ] - [ 0.0004561000000000, -0.0086405000000000, 0.0003327200000000 ] - [ 0.0004614800000000, 0.0062921300000000, 0.0003346600000000 ] - [ 0.0004580300000000, -0.0015265200000000, 0.0003381600000000 ] - [ 0.0004581800000000, 0.0015182300000000, 0.0003349200000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0006648300000000, 0.0023183600000000, -0.0030281100000000 ] - [ -0.0001798100000000, -0.0017688100000000, -0.0007511800000000 ] - [ 0.0049796600000000, -0.0090784200000000, -0.0072142200000000 ] - [ 0.0002554200000000, 0.0019991400000000, -0.0002372100000000 ] - [ -0.0085066100000000, 0.0041167100000000, 0.0047853100000000 ] - [ -0.0011448100000000, -0.0016977800000000, 0.0018359800000000 ] - [ 0.0009145400000000, -0.0010124300000000, -0.0026519900000000 ] - [ 0.0006164700000000, 0.0000874800000000, -0.0016267500000000 ] - [ 0.0161898300000000, -0.0174911900000000, 0.0369825200000000 ] - [ 0.0009488700000000, -0.0007694300000000, 0.0028006200000000 ] - [ -0.0003085300000000, 0.0004882800000000, -0.0022871300000000 ] - [ -0.0002389900000000, 0.0006922200000000, -0.0015391200000000 ] - [ 0.0009075300000000, 0.0026763700000000, 0.0005255700000000 ] - [ 0.0035536900000000, -0.0053820400000000, -0.0011407500000000 ] - [ -0.0005268700000000, -0.0004691700000000, -0.0013936200000000 ] - [ -0.0010690500000000, 0.0016061100000000, -0.0025255900000000 ] - [ -0.0085066100000000, -0.0041167100000000, 0.0047853100000000 ] - [ -0.0011448100000000, 0.0016977800000000, 0.0018359800000000 ] - [ 0.0009145400000000, 0.0010124300000000, -0.0026519900000000 ] - [ 0.0006164700000000, -0.0000874800000000, -0.0016267500000000 ] - [ -0.0001798100000000, 0.0017688100000000, -0.0007511800000000 ] - [ -0.0006648300000000, -0.0023183600000000, -0.0030281100000000 ] - [ 0.0002554200000000, -0.0019991400000000, -0.0002372100000000 ] - [ 0.0049796600000000, 0.0090784200000000, -0.0072142200000000 ] - [ 0.0035536900000000, 0.0053820400000000, -0.0011407500000000 ] - [ 0.0009075300000000, -0.0026763700000000, 0.0005255700000000 ] - [ -0.0010690500000000, -0.0016061100000000, -0.0025255900000000 ] - [ -0.0005268700000000, 0.0004691700000000, -0.0013936200000000 ] - [ 0.0161898300000000, 0.0174911900000000, 0.0369825200000000 ] - [ 0.0009488700000000, 0.0007694300000000, 0.0028006200000000 ] - [ -0.0003085300000000, -0.0004882800000000, -0.0022871300000000 ] - [ -0.0002389900000000, -0.0006922200000000, -0.0015391200000000 ] - [ -0.1377995700000000, 0.0000000000000000, 0.1413047800000000 ] - [ -0.0013423000000000, 0.0000000000000000, 0.0031393100000000 ] - [ 0.0013393400000000, 0.0000000000000000, -0.0040754400000000 ] - [ 0.0005135400000000, 0.0000000000000000, -0.0013918700000000 ] - [ 0.0003761700000000, 0.0061594400000000, 0.0013938700000000 ] - [ 0.0003761700000000, -0.0061594400000000, 0.0013938700000000 ] - [ 0.0011352300000000, -0.0004790800000000, -0.0031506300000000 ] - [ 0.0011352300000000, 0.0004790800000000, -0.0031506300000000 ] - [ -0.0008711800000000, 0.0009170300000000, -0.0015557900000000 ] - [ -0.0008711800000000, -0.0009170300000000, -0.0015557900000000 ] - [ 0.0015901800000000, -0.0021628100000000, 0.0018280600000000 ] - [ 0.0015901800000000, 0.0021628100000000, 0.0018280600000000 ] - [ 0.0069105500000000, 0.0000000000000000, 0.0015699000000000 ] - [ 0.0003980100000000, 0.0000000000000000, 0.0011685600000000 ] - [ -0.0019081800000000, 0.0000000000000000, -0.0048504900000000 ] - [ -0.0008698700000000, 0.0000000000000000, -0.0020022800000000 ] - [ 0.0570685100000000, 0.0000000000000000, 0.2060130600000000 ] - [ 0.0007292600000000, 0.0000000000000000, 0.0029289000000000 ] - [ -0.0011252200000000, 0.0000000000000000, -0.0053735600000000 ] - [ -0.0005449000000000, 0.0000000000000000, -0.0026482900000000 ] - [ -0.0002395300000000, 0.0018616800000000, -0.0022291500000000 ] - [ -0.0002395300000000, -0.0018616800000000, -0.0022291500000000 ] - [ -0.0011340800000000, -0.0025534400000000, -0.0015393100000000 ] - [ -0.0011340800000000, 0.0025534400000000, -0.0015393100000000 ] - [ 0.0000998800000000, 0.0021939300000000, 0.0015769800000000 ] - [ 0.0000998800000000, -0.0021939300000000, 0.0015769800000000 ] - [ 0.0016092500000000, -0.0016653200000000, -0.0036010600000000 ] - [ 0.0016092500000000, 0.0016653200000000, -0.0036010600000000 ] - [ -0.0011827800000000, 0.0000000000000000, 0.0118983600000000 ] - [ -0.0007928700000000, 0.0000000000000000, 0.0035397200000000 ] - [ 0.0007472800000000, 0.0000000000000000, -0.0041796700000000 ] - [ 0.0004788500000000, 0.0000000000000000, -0.0023266600000000 ] - [ 0.0008171200000000, -0.0098323100000000, 0.0047134700000000 ] - [ 0.0008171200000000, 0.0098323100000000, 0.0047134700000000 ] - [ -0.0005098400000000, 0.0006068800000000, -0.0033786700000000 ] - [ -0.0005098400000000, -0.0006068800000000, -0.0033786700000000 ] - [ 0.0009189300000000, 0.0000000000000000, -0.0081613000000000 ] - [ -0.0000776800000000, 0.0000000000000000, -0.0007705800000000 ] - [ -0.0065735700000000, 0.0000000000000000, -0.0125188200000000 ] - [ -0.0002280300000000, 0.0000000000000000, 0.0002598800000000 ] - [ -0.0074820300000000, 0.0000000000000000, -0.0032241200000000 ] - [ 0.0001557700000000, 0.0000000000000000, 0.0008446200000000 ] - [ 0.0014776300000000, 0.0000000000000000, -0.0045680000000000 ] - [ 0.0005067700000000, 0.0000000000000000, -0.0017908100000000 ] - [ -0.0022378400000000, 0.0012066100000000, 0.0050591600000000 ] - [ -0.0022378400000000, -0.0012066100000000, 0.0050591600000000 ] - [ 0.0004571100000000, -0.0000382300000000, -0.0029089800000000 ] - [ 0.0004571100000000, 0.0000382300000000, -0.0029089800000000 ] - [ 0.0059530700000000, -0.0082256500000000, -0.0069152400000000 ] - [ -0.0002231500000000, 0.0017492600000000, -0.0035567100000000 ] - [ -0.0001535400000000, 0.0003710700000000, 0.0050259700000000 ] - [ -0.0001784000000000, -0.0008831800000000, 0.0034080800000000 ] - [ 0.0059530700000000, 0.0082256500000000, -0.0069152400000000 ] - [ -0.0002231500000000, -0.0017492600000000, -0.0035567100000000 ] - [ -0.0001535400000000, -0.0003710700000000, 0.0050259700000000 ] - [ -0.0001784000000000, 0.0008831800000000, 0.0034080800000000 ] - [ -0.0001624200000000, -0.0024100400000000, 0.0063754400000000 ] - [ 0.0001561300000000, 0.0013729300000000, 0.0030177200000000 ] - [ 0.0164103900000000, 0.0280429900000000, 0.0224587500000000 ] - [ 0.0013201900000000, -0.0036136000000000, -0.0003484700000000 ] - [ -0.0001624200000000, 0.0024100400000000, 0.0063754400000000 ] - [ 0.0001561300000000, -0.0013729300000000, 0.0030177200000000 ] - [ 0.0164103900000000, -0.0280429900000000, 0.0224587500000000 ] - [ 0.0013201900000000, 0.0036136000000000, -0.0003484700000000 ] - [ 0.0016463200000000, 0.0039253600000000, -0.0059986600000000 ] - [ 0.0016463200000000, -0.0039253600000000, -0.0059986600000000 ] - [ -0.0005437500000000, -0.0008278000000000, 0.0044244800000000 ] - [ -0.0005437500000000, 0.0008278000000000, 0.0044244800000000 ] - [ 0.0019950800000000, 0.0000000000000000, 0.0109161200000000 ] - [ 0.0009877900000000, 0.0000000000000000, 0.0005498900000000 ] - [ -0.0102683000000000, 0.0000000000000000, 0.0143920900000000 ] - [ -0.0010191800000000, 0.0000000000000000, -0.0004001200000000 ] - [ -0.0213162900000000, 0.0000000000000000, 0.0206512000000000 ] - [ 0.0008568300000000, 0.0000000000000000, -0.0005877200000000 ] - [ 0.0020646900000000, 0.0000000000000000, 0.0082878900000000 ] - [ 0.0000316300000000, 0.0000000000000000, 0.0023553900000000 ] - [ -0.0020944300000000, -0.0053751400000000, -0.0168714200000000 ] - [ -0.0020944300000000, 0.0053751400000000, -0.0168714200000000 ] - [ -0.0002595300000000, 0.0002097000000000, 0.0039827700000000 ] - [ -0.0002595300000000, -0.0002097000000000, 0.0039827700000000 ] - [ 0.0442789200000000, 0.0000000000000000, -0.4522255600000000 ] - [ -0.0002340400000000, 0.0000000000000000, -0.0066680000000000 ] - [ 0.0001460200000000, 0.0000000000000000, 0.0063839500000000 ] - [ 0.0006559200000000, 0.0000000000000000, 0.0032940200000000 ] - [ -0.0020966100000000, -0.0072731800000000, 0.0028496500000000 ] - [ -0.0020966100000000, 0.0072731800000000, 0.0028496500000000 ] - [ -0.0002210400000000, 0.0019532000000000, 0.0043629400000000 ] - [ -0.0002210400000000, -0.0019532000000000, 0.0043629400000000 ] - [ 0.0013221700000000, -0.0042830000000000, 0.0018776200000000 ] - [ 0.0013221700000000, 0.0042830000000000, 0.0018776200000000 ] - [ -0.0051018600000000, 0.0074352100000000, 0.0018655200000000 ] - [ -0.0051018600000000, -0.0074352100000000, 0.0018655200000000 ] - [ 0.0031982000000000, 0.0000000000000000, -0.0174529300000000 ] - [ 0.0015353200000000, 0.0000000000000000, -0.0043056500000000 ] - [ 0.0005388500000000, 0.0000000000000000, 0.0068592700000000 ] - [ 0.0000460500000000, 0.0000000000000000, 0.0037635100000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003259500000000, -0.0032058000000000, 0.0032250400000000 ] - [ -0.0001635200000000, 0.0009213700000000, 0.0009248900000000 ] - [ -0.0053139800000000, 0.0081919200000000, 0.0073686100000000 ] - [ -0.0005955100000000, -0.0028500700000000, 0.0004215500000000 ] - [ 0.0088339700000000, -0.0049615900000000, -0.0049427200000000 ] - [ 0.0014811200000000, 0.0008418100000000, -0.0020078400000000 ] - [ -0.0005704000000000, 0.0001631800000000, 0.0024745800000000 ] - [ -0.0002741000000000, -0.0009454200000000, 0.0014458800000000 ] - [ -0.0153036500000000, 0.0176106500000000, -0.0363992000000000 ] - [ -0.0006040100000000, 0.0015991100000000, -0.0026219200000000 ] - [ 0.0006478800000000, 0.0003660600000000, 0.0024676800000000 ] - [ 0.0005810900000000, 0.0001648500000000, 0.0017182100000000 ] - [ -0.0012475700000000, -0.0018168900000000, -0.0007124400000000 ] - [ -0.0038508000000000, 0.0062245800000000, 0.0009262400000000 ] - [ 0.0001854300000000, 0.0013234200000000, 0.0012167500000000 ] - [ 0.0007320100000000, -0.0007526300000000, 0.0023515800000000 ] - [ 0.0088339700000000, 0.0049615900000000, -0.0049427200000000 ] - [ 0.0014811200000000, -0.0008418100000000, -0.0020078400000000 ] - [ -0.0005704000000000, -0.0001631800000000, 0.0024745800000000 ] - [ -0.0002741000000000, 0.0009454200000000, 0.0014458800000000 ] - [ -0.0001635200000000, -0.0009213700000000, 0.0009248900000000 ] - [ 0.0003259500000000, 0.0032058000000000, 0.0032250400000000 ] - [ -0.0005955100000000, 0.0028500700000000, 0.0004215500000000 ] - [ -0.0053139800000000, -0.0081919200000000, 0.0073686100000000 ] - [ -0.0038508000000000, -0.0062245800000000, 0.0009262400000000 ] - [ -0.0012475700000000, 0.0018168900000000, -0.0007124400000000 ] - [ 0.0007320100000000, 0.0007526300000000, 0.0023515800000000 ] - [ 0.0001854300000000, -0.0013234200000000, 0.0012167500000000 ] - [ -0.0153036500000000, -0.0176106500000000, -0.0363992000000000 ] - [ -0.0006040100000000, -0.0015991100000000, -0.0026219200000000 ] - [ 0.0006478800000000, -0.0003660600000000, 0.0024676800000000 ] - [ 0.0005810900000000, -0.0001648500000000, 0.0017182100000000 ] - [ 0.1437686000000000, 0.0000000000000000, -0.1433259600000000 ] - [ 0.0008749300000000, 0.0000000000000000, -0.0021865100000000 ] - [ -0.0018181500000000, 0.0000000000000000, 0.0050387800000000 ] - [ -0.0009886600000000, 0.0000000000000000, 0.0023486900000000 ] - [ 0.0001205600000000, -0.0061478200000000, -0.0023879000000000 ] - [ 0.0001205600000000, 0.0061478200000000, -0.0023879000000000 ] - [ -0.0006636600000000, 0.0004780300000000, 0.0021977500000000 ] - [ -0.0006636600000000, -0.0004780300000000, 0.0021977500000000 ] - [ 0.0013502000000000, -0.0009244100000000, 0.0025079700000000 ] - [ 0.0013502000000000, 0.0009244100000000, 0.0025079700000000 ] - [ -0.0011077800000000, 0.0021562300000000, -0.0008577500000000 ] - [ -0.0011077800000000, -0.0021562300000000, -0.0008577500000000 ] - [ -0.0073146500000000, 0.0000000000000000, -0.0025093600000000 ] - [ -0.0008683200000000, 0.0000000000000000, -0.0021163700000000 ] - [ 0.0014449800000000, 0.0000000000000000, 0.0039178400000000 ] - [ 0.0003943900000000, 0.0000000000000000, 0.0010424900000000 ] - [ -0.0520765100000000, 0.0000000000000000, -0.1933669300000000 ] - [ -0.0008399800000000, 0.0000000000000000, -0.0033674400000000 ] - [ 0.0010094300000000, 0.0000000000000000, 0.0049331200000000 ] - [ 0.0004286900000000, 0.0000000000000000, 0.0021980600000000 ] - [ 0.0003481800000000, -0.0018679300000000, 0.0026610100000000 ] - [ 0.0003481800000000, 0.0018679300000000, 0.0026610100000000 ] - [ 0.0012473900000000, 0.0025506400000000, 0.0019932300000000 ] - [ 0.0012473900000000, -0.0025506400000000, 0.0019932300000000 ] - [ 0.0000187600000000, -0.0022045200000000, -0.0020625800000000 ] - [ 0.0000187600000000, 0.0022045200000000, -0.0020625800000000 ] - [ -0.0014913800000000, 0.0016591900000000, 0.0031523200000000 ] - [ -0.0014913800000000, -0.0016591900000000, 0.0031523200000000 ] - [ 0.0010539100000000, 0.0000000000000000, -0.0114534500000000 ] - [ 0.0006751900000000, 0.0000000000000000, -0.0030871600000000 ] - [ -0.0008604600000000, 0.0000000000000000, 0.0046329500000000 ] - [ -0.0005931000000000, 0.0000000000000000, 0.0027756800000000 ] - [ -0.0009931900000000, 0.0098114300000000, -0.0051269200000000 ] - [ -0.0009931900000000, -0.0098114300000000, -0.0051269200000000 ] - [ 0.0003188800000000, -0.0006129700000000, 0.0029227600000000 ] - [ 0.0003188800000000, 0.0006129700000000, 0.0029227600000000 ] - [ -0.0007514400000000, 0.0000000000000000, 0.0086202100000000 ] - [ 0.0002626000000000, 0.0000000000000000, 0.0012187200000000 ] - [ 0.0068044300000000, 0.0000000000000000, 0.0130640400000000 ] - [ 0.0004166100000000, 0.0000000000000000, 0.0002044200000000 ] - [ 0.0078355400000000, 0.0000000000000000, 0.0027818300000000 ] - [ 0.0000334900000000, 0.0000000000000000, -0.0013123800000000 ] - [ -0.0012857300000000, 0.0000000000000000, 0.0041051600000000 ] - [ -0.0003188700000000, 0.0000000000000000, 0.0013371500000000 ] - [ 0.0020200600000000, -0.0011805200000000, -0.0045995800000000 ] - [ 0.0020200600000000, 0.0011805200000000, -0.0045995800000000 ] - [ -0.0006448900000000, 0.0000359900000000, 0.0033668900000000 ] - [ -0.0006448900000000, -0.0000359900000000, 0.0033668900000000 ] - [ -0.0059491600000000, 0.0082762000000000, 0.0070712000000000 ] - [ 0.0002263000000000, -0.0017410200000000, 0.0035781600000000 ] - [ 0.0001494800000000, -0.0003656000000000, -0.0050268800000000 ] - [ 0.0001770200000000, 0.0008792700000000, -0.0034094700000000 ] - [ -0.0059491600000000, -0.0082762000000000, 0.0070712000000000 ] - [ 0.0002263000000000, 0.0017410200000000, 0.0035781600000000 ] - [ 0.0001494800000000, 0.0003656000000000, -0.0050268800000000 ] - [ 0.0001770200000000, -0.0008792700000000, -0.0034094700000000 ] - [ 0.0001754500000000, 0.0024253700000000, -0.0063827000000000 ] - [ -0.0001534400000000, -0.0013775500000000, -0.0030094500000000 ] - [ -0.0162770600000000, -0.0279652500000000, -0.0222973300000000 ] - [ -0.0013166300000000, 0.0036082700000000, 0.0003414700000000 ] - [ 0.0001754500000000, -0.0024253700000000, -0.0063827000000000 ] - [ -0.0001534400000000, 0.0013775500000000, -0.0030094500000000 ] - [ -0.0162770600000000, 0.0279652500000000, -0.0222973300000000 ] - [ -0.0013166300000000, -0.0036082700000000, 0.0003414700000000 ] - [ -0.0022631800000000, -0.0039214000000000, 0.0067542700000000 ] - [ -0.0022631800000000, 0.0039214000000000, 0.0067542700000000 ] - [ -0.0000803500000000, 0.0008344200000000, -0.0036367700000000 ] - [ -0.0000803500000000, -0.0008344200000000, -0.0036367700000000 ] - [ -0.0013731400000000, 0.0000000000000000, -0.0118137500000000 ] - [ -0.0003684400000000, 0.0000000000000000, -0.0013252300000000 ] - [ 0.0108592200000000, 0.0000000000000000, -0.0151059000000000 ] - [ 0.0016380900000000, 0.0000000000000000, -0.0003960000000000 ] - [ 0.0220971300000000, 0.0000000000000000, -0.0198114500000000 ] - [ -0.0002347800000000, 0.0000000000000000, 0.0013881400000000 ] - [ -0.0014413800000000, 0.0000000000000000, -0.0075036700000000 ] - [ 0.0005900400000000, 0.0000000000000000, -0.0015719300000000 ] - [ 0.0014533500000000, 0.0051920600000000, 0.0160878800000000 ] - [ 0.0014533500000000, -0.0051920600000000, 0.0160878800000000 ] - [ -0.0003618400000000, -0.0002056400000000, -0.0047738600000000 ] - [ -0.0003618400000000, 0.0002056400000000, -0.0047738600000000 ] - [ -0.0566497300000000, 0.0000000000000000, 0.4399991400000000 ] - [ 0.0011316200000000, 0.0000000000000000, 0.0059847400000000 ] - [ 0.0007722800000000, 0.0000000000000000, -0.0070642200000000 ] - [ 0.0002611700000000, 0.0000000000000000, -0.0039661700000000 ] - [ 0.0011824000000000, 0.0072677200000000, -0.0021462100000000 ] - [ 0.0011824000000000, -0.0072677200000000, -0.0021462100000000 ] - [ -0.0006935100000000, -0.0019531600000000, -0.0036963500000000 ] - [ -0.0006935100000000, 0.0019531600000000, -0.0036963500000000 ] - [ -0.0022550700000000, 0.0043234100000000, -0.0025318800000000 ] - [ -0.0022550700000000, -0.0043234100000000, -0.0025318800000000 ] - [ 0.0041648200000000, -0.0074012600000000, -0.0025448100000000 ] - [ 0.0041648200000000, 0.0074012600000000, -0.0025448100000000 ] - [ -0.0023171400000000, 0.0000000000000000, 0.0180147100000000 ] - [ -0.0006182100000000, 0.0000000000000000, 0.0049636100000000 ] - [ 0.0003642300000000, 0.0000000000000000, -0.0061996500000000 ] - [ 0.0008708700000000, 0.0000000000000000, -0.0030886800000000 ]