# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/4f277d54-689f-4180-b1e3-0625df159326/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 CsNd2CuSe4 / Cmcm (63) / materials id 862772](https://mdr.nims.go.jp/datasets/4e90ea4a-d3a8-43de-b435-df768a192ad5) ## 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: "Cmcm" number: 63 Hall_symbol: "-C 2c 2"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 4, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 2.098709080000000, -7.367153925000000, 0.000000000000000 ] # a - [ 2.098709080000000, 7.367153925000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.524189870000001 ] # c points: - symbol: Cs # 1 coordinates: [ 0.605873640000000, 0.394126360000000, 0.750000000000000 ] mass: 132.905452 - symbol: Cs # 2 coordinates: [ 0.394126360000000, 0.605873640000000, 0.250000000000000 ] mass: 132.905452 - symbol: Nd # 3 coordinates: [ 0.865899320000000, 0.134100680000000, 0.939193010000000 ] mass: 144.242000 - symbol: Nd # 4 coordinates: [ 0.134100680000000, 0.865899320000000, 0.439193010000000 ] mass: 144.242000 - symbol: Nd # 5 coordinates: [ 0.134100680000000, 0.865899320000000, 0.060806990000000 ] mass: 144.242000 - symbol: Nd # 6 coordinates: [ 0.865899320000000, 0.134100680000000, 0.560806990000000 ] mass: 144.242000 - symbol: Cu # 7 coordinates: [ 0.335310250000000, 0.664689750000000, 0.750000000000000 ] mass: 63.546000 - symbol: Cu # 8 coordinates: [ 0.664689750000000, 0.335310250000000, 0.250000000000000 ] mass: 63.546000 - symbol: Se # 9 coordinates: [ 0.759585690000000, 0.240414310000000, 0.388495330000000 ] mass: 78.960000 - symbol: Se # 10 coordinates: [ 0.240414310000000, 0.759585690000000, 0.888495330000000 ] mass: 78.960000 - symbol: Se # 11 coordinates: [ 0.240414310000000, 0.759585690000000, 0.611504670000000 ] mass: 78.960000 - symbol: Se # 12 coordinates: [ 0.759585690000000, 0.240414310000000, 0.111504670000000 ] mass: 78.960000 - symbol: Se # 13 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 78.960000 - symbol: Se # 14 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 78.960000 - symbol: Se # 15 coordinates: [ 0.922333190000000, 0.077666810000000, 0.750000000000000 ] mass: 78.960000 - symbol: Se # 16 coordinates: [ 0.077666810000000, 0.922333190000000, 0.250000000000000 ] mass: 78.960000 reciprocal_lattice: # without 2pi - [ 0.238241690935077, -0.067868814075308, 0.000000000000000 ] # a* - [ 0.238241690935077, 0.067868814075308, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.068850655971217 ] # c*unit_cell: lattice: - [ 4.197418160000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 14.734307850000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.524189870000001 ] # c points: - symbol: Cs # 1 coordinates: [ 0.000000000000000, 0.394126360000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 2 coordinates: [ 0.500000000000000, 0.105873640000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 2 - symbol: Cs # 3 coordinates: [ 0.500000000000000, 0.894126360000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 4 coordinates: [ 0.000000000000000, 0.605873640000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 2 - symbol: Nd # 5 coordinates: [ 0.000000000000000, 0.134100680000000, 0.939193010000000 ] mass: 144.242000 reduced_to: 5 - symbol: Nd # 6 coordinates: [ 0.500000000000000, 0.365899320000000, 0.439193010000000 ] mass: 144.242000 reduced_to: 6 - symbol: Nd # 7 coordinates: [ 0.500000000000000, 0.365899320000000, 0.060806990000000 ] mass: 144.242000 reduced_to: 7 - symbol: Nd # 8 coordinates: [ 0.000000000000000, 0.134100680000000, 0.560806990000000 ] mass: 144.242000 reduced_to: 8 - symbol: Nd # 9 coordinates: [ 0.500000000000000, 0.634100680000000, 0.939193010000000 ] mass: 144.242000 reduced_to: 5 - symbol: Nd # 10 coordinates: [ 0.000000000000000, 0.865899320000000, 0.439193010000000 ] mass: 144.242000 reduced_to: 6 - symbol: Nd # 11 coordinates: [ 0.000000000000000, 0.865899320000000, 0.060806990000000 ] mass: 144.242000 reduced_to: 7 - symbol: Nd # 12 coordinates: [ 0.500000000000000, 0.634100680000000, 0.560806990000000 ] mass: 144.242000 reduced_to: 8 - symbol: Cu # 13 coordinates: [ 0.500000000000000, 0.164689750000000, 0.750000000000000 ] mass: 63.546000 reduced_to: 13 - symbol: Cu # 14 coordinates: [ 0.000000000000000, 0.335310250000000, 0.250000000000000 ] mass: 63.546000 reduced_to: 14 - symbol: Cu # 15 coordinates: [ 0.000000000000000, 0.664689750000000, 0.750000000000000 ] mass: 63.546000 reduced_to: 13 - symbol: Cu # 16 coordinates: [ 0.500000000000000, 0.835310250000000, 0.250000000000000 ] mass: 63.546000 reduced_to: 14 - symbol: Se # 17 coordinates: [ 0.000000000000000, 0.240414310000000, 0.388495330000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 18 coordinates: [ 0.500000000000000, 0.259585690000000, 0.888495330000000 ] mass: 78.960000 reduced_to: 18 - symbol: Se # 19 coordinates: [ 0.500000000000000, 0.259585690000000, 0.611504670000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 20 coordinates: [ 0.000000000000000, 0.240414310000000, 0.111504670000000 ] mass: 78.960000 reduced_to: 20 - symbol: Se # 21 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 21 - symbol: Se # 22 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 22 - symbol: Se # 23 coordinates: [ 0.000000000000000, 0.077666810000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 23 - symbol: Se # 24 coordinates: [ 0.500000000000000, 0.422333190000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 24 - symbol: Se # 25 coordinates: [ 0.500000000000000, 0.740414310000000, 0.388495330000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 26 coordinates: [ 0.000000000000000, 0.759585690000000, 0.888495330000000 ] mass: 78.960000 reduced_to: 18 - symbol: Se # 27 coordinates: [ 0.000000000000000, 0.759585690000000, 0.611504670000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 28 coordinates: [ 0.500000000000000, 0.740414310000000, 0.111504670000000 ] mass: 78.960000 reduced_to: 20 - symbol: Se # 29 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 21 - symbol: Se # 30 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 22 - symbol: Se # 31 coordinates: [ 0.500000000000000, 0.577666810000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 23 - symbol: Se # 32 coordinates: [ 0.000000000000000, 0.922333190000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 24supercell: lattice: - [ 16.789672639999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 14.734307850000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.524189870000001 ] # c points: - symbol: Cs # 1 coordinates: [ 0.000000000000000, 0.394126360000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 2 coordinates: [ 0.250000000000000, 0.394126360000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 3 coordinates: [ 0.500000000000000, 0.394126360000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 4 coordinates: [ 0.750000000000000, 0.394126360000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 5 coordinates: [ 0.125000000000000, 0.105873640000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 5 - symbol: Cs # 6 coordinates: [ 0.375000000000000, 0.105873640000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 5 - symbol: Cs # 7 coordinates: [ 0.625000000000000, 0.105873640000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 5 - symbol: Cs # 8 coordinates: [ 0.875000000000000, 0.105873640000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 5 - symbol: Cs # 9 coordinates: [ 0.125000000000000, 0.894126360000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 10 coordinates: [ 0.375000000000000, 0.894126360000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 11 coordinates: [ 0.625000000000000, 0.894126360000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 12 coordinates: [ 0.875000000000000, 0.894126360000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 13 coordinates: [ 0.000000000000000, 0.605873640000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 5 - symbol: Cs # 14 coordinates: [ 0.250000000000000, 0.605873640000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 5 - symbol: Cs # 15 coordinates: [ 0.500000000000000, 0.605873640000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 5 - symbol: Cs # 16 coordinates: [ 0.750000000000000, 0.605873640000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 5 - symbol: Nd # 17 coordinates: [ 0.000000000000000, 0.134100680000000, 0.939193010000000 ] mass: 144.242000 reduced_to: 17 - symbol: Nd # 18 coordinates: [ 0.250000000000000, 0.134100680000000, 0.939193010000000 ] mass: 144.242000 reduced_to: 17 - symbol: Nd # 19 coordinates: [ 0.500000000000000, 0.134100680000000, 0.939193010000000 ] mass: 144.242000 reduced_to: 17 - symbol: Nd # 20 coordinates: [ 0.750000000000000, 0.134100680000000, 0.939193010000000 ] mass: 144.242000 reduced_to: 17 - symbol: Nd # 21 coordinates: [ 0.125000000000000, 0.365899320000000, 0.439193010000000 ] mass: 144.242000 reduced_to: 21 - symbol: Nd # 22 coordinates: [ 0.375000000000000, 0.365899320000000, 0.439193010000000 ] mass: 144.242000 reduced_to: 21 - symbol: Nd # 23 coordinates: [ 0.625000000000000, 0.365899320000000, 0.439193010000000 ] mass: 144.242000 reduced_to: 21 - symbol: Nd # 24 coordinates: [ 0.875000000000000, 0.365899320000000, 0.439193010000000 ] mass: 144.242000 reduced_to: 21 - symbol: Nd # 25 coordinates: [ 0.125000000000000, 0.365899320000000, 0.060806990000000 ] mass: 144.242000 reduced_to: 25 - symbol: Nd # 26 coordinates: [ 0.375000000000000, 0.365899320000000, 0.060806990000000 ] mass: 144.242000 reduced_to: 25 - symbol: Nd # 27 coordinates: [ 0.625000000000000, 0.365899320000000, 0.060806990000000 ] mass: 144.242000 reduced_to: 25 - symbol: Nd # 28 coordinates: [ 0.875000000000000, 0.365899320000000, 0.060806990000000 ] mass: 144.242000 reduced_to: 25 - symbol: Nd # 29 coordinates: [ 0.000000000000000, 0.134100680000000, 0.560806990000000 ] mass: 144.242000 reduced_to: 29 - symbol: Nd # 30 coordinates: [ 0.250000000000000, 0.134100680000000, 0.560806990000000 ] mass: 144.242000 reduced_to: 29 - symbol: Nd # 31 coordinates: [ 0.500000000000000, 0.134100680000000, 0.560806990000000 ] mass: 144.242000 reduced_to: 29 - symbol: Nd # 32 coordinates: [ 0.750000000000000, 0.134100680000000, 0.560806990000000 ] mass: 144.242000 reduced_to: 29 - symbol: Nd # 33 coordinates: [ 0.125000000000000, 0.634100680000000, 0.939193010000000 ] mass: 144.242000 reduced_to: 17 - symbol: Nd # 34 coordinates: [ 0.375000000000000, 0.634100680000000, 0.939193010000000 ] mass: 144.242000 reduced_to: 17 - symbol: Nd # 35 coordinates: [ 0.625000000000000, 0.634100680000000, 0.939193010000000 ] mass: 144.242000 reduced_to: 17 - symbol: Nd # 36 coordinates: [ 0.875000000000000, 0.634100680000000, 0.939193010000000 ] mass: 144.242000 reduced_to: 17 - symbol: Nd # 37 coordinates: [ 0.000000000000000, 0.865899320000000, 0.439193010000000 ] mass: 144.242000 reduced_to: 21 - symbol: Nd # 38 coordinates: [ 0.250000000000000, 0.865899320000000, 0.439193010000000 ] mass: 144.242000 reduced_to: 21 - symbol: Nd # 39 coordinates: [ 0.500000000000000, 0.865899320000000, 0.439193010000000 ] mass: 144.242000 reduced_to: 21 - symbol: Nd # 40 coordinates: [ 0.750000000000000, 0.865899320000000, 0.439193010000000 ] mass: 144.242000 reduced_to: 21 - symbol: Nd # 41 coordinates: [ 0.000000000000000, 0.865899320000000, 0.060806990000000 ] mass: 144.242000 reduced_to: 25 - symbol: Nd # 42 coordinates: [ 0.250000000000000, 0.865899320000000, 0.060806990000000 ] mass: 144.242000 reduced_to: 25 - symbol: Nd # 43 coordinates: [ 0.500000000000000, 0.865899320000000, 0.060806990000000 ] mass: 144.242000 reduced_to: 25 - symbol: Nd # 44 coordinates: [ 0.750000000000000, 0.865899320000000, 0.060806990000000 ] mass: 144.242000 reduced_to: 25 - symbol: Nd # 45 coordinates: [ 0.125000000000000, 0.634100680000000, 0.560806990000000 ] mass: 144.242000 reduced_to: 29 - symbol: Nd # 46 coordinates: [ 0.375000000000000, 0.634100680000000, 0.560806990000000 ] mass: 144.242000 reduced_to: 29 - symbol: Nd # 47 coordinates: [ 0.625000000000000, 0.634100680000000, 0.560806990000000 ] mass: 144.242000 reduced_to: 29 - symbol: Nd # 48 coordinates: [ 0.875000000000000, 0.634100680000000, 0.560806990000000 ] mass: 144.242000 reduced_to: 29 - symbol: Cu # 49 coordinates: [ 0.125000000000000, 0.164689750000000, 0.750000000000000 ] mass: 63.546000 reduced_to: 49 - symbol: Cu # 50 coordinates: [ 0.375000000000000, 0.164689750000000, 0.750000000000000 ] mass: 63.546000 reduced_to: 49 - symbol: Cu # 51 coordinates: [ 0.625000000000000, 0.164689750000000, 0.750000000000000 ] mass: 63.546000 reduced_to: 49 - symbol: Cu # 52 coordinates: [ 0.875000000000000, 0.164689750000000, 0.750000000000000 ] mass: 63.546000 reduced_to: 49 - symbol: Cu # 53 coordinates: [ 0.000000000000000, 0.335310250000000, 0.250000000000000 ] mass: 63.546000 reduced_to: 53 - symbol: Cu # 54 coordinates: [ 0.250000000000000, 0.335310250000000, 0.250000000000000 ] mass: 63.546000 reduced_to: 53 - symbol: Cu # 55 coordinates: [ 0.500000000000000, 0.335310250000000, 0.250000000000000 ] mass: 63.546000 reduced_to: 53 - symbol: Cu # 56 coordinates: [ 0.750000000000000, 0.335310250000000, 0.250000000000000 ] mass: 63.546000 reduced_to: 53 - symbol: Cu # 57 coordinates: [ 0.000000000000000, 0.664689750000000, 0.750000000000000 ] mass: 63.546000 reduced_to: 49 - symbol: Cu # 58 coordinates: [ 0.250000000000000, 0.664689750000000, 0.750000000000000 ] mass: 63.546000 reduced_to: 49 - symbol: Cu # 59 coordinates: [ 0.500000000000000, 0.664689750000000, 0.750000000000000 ] mass: 63.546000 reduced_to: 49 - symbol: Cu # 60 coordinates: [ 0.750000000000000, 0.664689750000000, 0.750000000000000 ] mass: 63.546000 reduced_to: 49 - symbol: Cu # 61 coordinates: [ 0.125000000000000, 0.835310250000000, 0.250000000000000 ] mass: 63.546000 reduced_to: 53 - symbol: Cu # 62 coordinates: [ 0.375000000000000, 0.835310250000000, 0.250000000000000 ] mass: 63.546000 reduced_to: 53 - symbol: Cu # 63 coordinates: [ 0.625000000000000, 0.835310250000000, 0.250000000000000 ] mass: 63.546000 reduced_to: 53 - symbol: Cu # 64 coordinates: [ 0.875000000000000, 0.835310250000000, 0.250000000000000 ] mass: 63.546000 reduced_to: 53 - symbol: Se # 65 coordinates: [ 0.000000000000000, 0.240414310000000, 0.388495330000000 ] mass: 78.960000 reduced_to: 65 - symbol: Se # 66 coordinates: [ 0.250000000000000, 0.240414310000000, 0.388495330000000 ] mass: 78.960000 reduced_to: 65 - symbol: Se # 67 coordinates: [ 0.500000000000000, 0.240414310000000, 0.388495330000000 ] mass: 78.960000 reduced_to: 65 - symbol: Se # 68 coordinates: [ 0.750000000000000, 0.240414310000000, 0.388495330000000 ] mass: 78.960000 reduced_to: 65 - symbol: Se # 69 coordinates: [ 0.125000000000000, 0.259585690000000, 0.888495330000000 ] mass: 78.960000 reduced_to: 69 - symbol: Se # 70 coordinates: [ 0.375000000000000, 0.259585690000000, 0.888495330000000 ] mass: 78.960000 reduced_to: 69 - symbol: Se # 71 coordinates: [ 0.625000000000000, 0.259585690000000, 0.888495330000000 ] mass: 78.960000 reduced_to: 69 - symbol: Se # 72 coordinates: [ 0.875000000000000, 0.259585690000000, 0.888495330000000 ] mass: 78.960000 reduced_to: 69 - symbol: Se # 73 coordinates: [ 0.125000000000000, 0.259585690000000, 0.611504670000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 74 coordinates: [ 0.375000000000000, 0.259585690000000, 0.611504670000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 75 coordinates: [ 0.625000000000000, 0.259585690000000, 0.611504670000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 76 coordinates: [ 0.875000000000000, 0.259585690000000, 0.611504670000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 77 coordinates: [ 0.000000000000000, 0.240414310000000, 0.111504670000000 ] mass: 78.960000 reduced_to: 77 - symbol: Se # 78 coordinates: [ 0.250000000000000, 0.240414310000000, 0.111504670000000 ] mass: 78.960000 reduced_to: 77 - symbol: Se # 79 coordinates: [ 0.500000000000000, 0.240414310000000, 0.111504670000000 ] mass: 78.960000 reduced_to: 77 - symbol: Se # 80 coordinates: [ 0.750000000000000, 0.240414310000000, 0.111504670000000 ] mass: 78.960000 reduced_to: 77 - symbol: Se # 81 coordinates: [ 0.125000000000000, 0.000000000000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 81 - symbol: Se # 82 coordinates: [ 0.375000000000000, 0.000000000000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 81 - symbol: Se # 83 coordinates: [ 0.625000000000000, 0.000000000000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 81 - symbol: Se # 84 coordinates: [ 0.875000000000000, 0.000000000000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 81 - symbol: Se # 85 coordinates: [ 0.125000000000000, 0.000000000000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 85 - symbol: Se # 86 coordinates: [ 0.375000000000000, 0.000000000000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 85 - symbol: Se # 87 coordinates: [ 0.625000000000000, 0.000000000000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 85 - symbol: Se # 88 coordinates: [ 0.875000000000000, 0.000000000000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 85 - symbol: Se # 89 coordinates: [ 0.000000000000000, 0.077666810000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 89 - symbol: Se # 90 coordinates: [ 0.250000000000000, 0.077666810000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 89 - symbol: Se # 91 coordinates: [ 0.500000000000000, 0.077666810000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 89 - symbol: Se # 92 coordinates: [ 0.750000000000000, 0.077666810000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 89 - symbol: Se # 93 coordinates: [ 0.125000000000000, 0.422333190000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 93 - symbol: Se # 94 coordinates: [ 0.375000000000000, 0.422333190000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 93 - symbol: Se # 95 coordinates: [ 0.625000000000000, 0.422333190000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 93 - symbol: Se # 96 coordinates: [ 0.875000000000000, 0.422333190000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 93 - symbol: Se # 97 coordinates: [ 0.125000000000000, 0.740414310000000, 0.388495330000000 ] mass: 78.960000 reduced_to: 65 - symbol: Se # 98 coordinates: [ 0.375000000000000, 0.740414310000000, 0.388495330000000 ] mass: 78.960000 reduced_to: 65 - symbol: Se # 99 coordinates: [ 0.625000000000000, 0.740414310000000, 0.388495330000000 ] mass: 78.960000 reduced_to: 65 - symbol: Se # 100 coordinates: [ 0.875000000000000, 0.740414310000000, 0.388495330000000 ] mass: 78.960000 reduced_to: 65 - symbol: Se # 101 coordinates: [ 0.000000000000000, 0.759585690000000, 0.888495330000000 ] mass: 78.960000 reduced_to: 69 - symbol: Se # 102 coordinates: [ 0.250000000000000, 0.759585690000000, 0.888495330000000 ] mass: 78.960000 reduced_to: 69 - symbol: Se # 103 coordinates: [ 0.500000000000000, 0.759585690000000, 0.888495330000000 ] mass: 78.960000 reduced_to: 69 - symbol: Se # 104 coordinates: [ 0.750000000000000, 0.759585690000000, 0.888495330000000 ] mass: 78.960000 reduced_to: 69 - symbol: Se # 105 coordinates: [ 0.000000000000000, 0.759585690000000, 0.611504670000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 106 coordinates: [ 0.250000000000000, 0.759585690000000, 0.611504670000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 107 coordinates: [ 0.500000000000000, 0.759585690000000, 0.611504670000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 108 coordinates: [ 0.750000000000000, 0.759585690000000, 0.611504670000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 109 coordinates: [ 0.125000000000000, 0.740414310000000, 0.111504670000000 ] mass: 78.960000 reduced_to: 77 - symbol: Se # 110 coordinates: [ 0.375000000000000, 0.740414310000000, 0.111504670000000 ] mass: 78.960000 reduced_to: 77 - symbol: Se # 111 coordinates: [ 0.625000000000000, 0.740414310000000, 0.111504670000000 ] mass: 78.960000 reduced_to: 77 - symbol: Se # 112 coordinates: [ 0.875000000000000, 0.740414310000000, 0.111504670000000 ] mass: 78.960000 reduced_to: 77 - symbol: Se # 113 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 81 - symbol: Se # 114 coordinates: [ 0.250000000000000, 0.500000000000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 81 - symbol: Se # 115 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 81 - symbol: Se # 116 coordinates: [ 0.750000000000000, 0.500000000000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 81 - symbol: Se # 117 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 85 - symbol: Se # 118 coordinates: [ 0.250000000000000, 0.500000000000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 85 - symbol: Se # 119 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 85 - symbol: Se # 120 coordinates: [ 0.750000000000000, 0.500000000000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 85 - symbol: Se # 121 coordinates: [ 0.125000000000000, 0.577666810000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 89 - symbol: Se # 122 coordinates: [ 0.375000000000000, 0.577666810000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 89 - symbol: Se # 123 coordinates: [ 0.625000000000000, 0.577666810000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 89 - symbol: Se # 124 coordinates: [ 0.875000000000000, 0.577666810000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 89 - symbol: Se # 125 coordinates: [ 0.000000000000000, 0.922333190000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 93 - symbol: Se # 126 coordinates: [ 0.250000000000000, 0.922333190000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 93 - symbol: Se # 127 coordinates: [ 0.500000000000000, 0.922333190000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 93 - symbol: Se # 128 coordinates: [ 0.750000000000000, 0.922333190000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 93displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0268066100000000, 0.0067663700000000, 0.0000000000000000 ] - [ 0.0025154300000000, 0.0066095600000000, 0.0000000000000000 ] - [ 0.0002872400000000, 0.0066683900000000, 0.0000000000000000 ] - [ 0.0024858200000000, 0.0067270600000000, 0.0000000000000000 ] - [ -0.0000432400000000, -0.0066794300000000, 0.0000000000000000 ] - [ 0.0000301600000000, -0.0066909500000000, 0.0000000000000000 ] - [ 0.0000300700000000, -0.0066493100000000, 0.0000000000000000 ] - [ -0.0000434300000000, -0.0066610200000000, 0.0000000000000000 ] - [ -0.0000494200000000, 0.0066553800000000, 0.0000000000000000 ] - [ 0.0000477500000000, 0.0066494100000000, 0.0000000000000000 ] - [ 0.0000486000000000, 0.0066871200000000, 0.0000000000000000 ] - [ -0.0000500900000000, 0.0066804400000000, 0.0000000000000000 ] - [ -0.0000198800000000, -0.0066702500000000, 0.0000000000000000 ] - [ -0.0000133400000000, -0.0066316300000000, 0.0000000000000000 ] - [ 0.0000463500000000, -0.0066700000000000, 0.0000000000000000 ] - [ -0.0000126100000000, -0.0067080100000000, 0.0000000000000000 ] - [ -0.0016328700000000, 0.0053933000000000, -0.0042681500000000 ] - [ 0.0006877100000000, 0.0048590800000000, -0.0037702200000000 ] - [ 0.0004394800000000, 0.0053893300000000, -0.0042653900000000 ] - [ 0.0006882200000000, 0.0059192800000000, -0.0047599600000000 ] - [ -0.0002383400000000, -0.0050875300000000, -0.0054251200000000 ] - [ 0.0002941500000000, -0.0053858700000000, -0.0043797500000000 ] - [ 0.0002921700000000, -0.0053975200000000, -0.0041529400000000 ] - [ -0.0002370700000000, -0.0056958100000000, -0.0031074900000000 ] - [ -0.0002383400000000, -0.0050875300000000, 0.0054251200000000 ] - [ 0.0002941500000000, -0.0053858700000000, 0.0043797500000000 ] - [ 0.0002921700000000, -0.0053975200000000, 0.0041529400000000 ] - [ -0.0002370700000000, -0.0056958100000000, 0.0031074900000000 ] - [ -0.0016328700000000, 0.0053933000000000, 0.0042681500000000 ] - [ 0.0006877100000000, 0.0048590800000000, 0.0037702200000000 ] - [ 0.0004394800000000, 0.0053893300000000, 0.0042653900000000 ] - [ 0.0006882200000000, 0.0059192800000000, 0.0047599600000000 ] - [ -0.0001546900000000, 0.0061943800000000, -0.0032623500000000 ] - [ 0.0002522600000000, 0.0055042600000000, -0.0041870200000000 ] - [ 0.0002522200000000, 0.0052795100000000, -0.0043446900000000 ] - [ -0.0001535500000000, 0.0045908400000000, -0.0052699300000000 ] - [ -0.0002190200000000, -0.0053922700000000, -0.0042662000000000 ] - [ 0.0000455800000000, -0.0053977900000000, -0.0043374300000000 ] - [ 0.0002048500000000, -0.0053920600000000, -0.0042660300000000 ] - [ 0.0000472400000000, -0.0053863300000000, -0.0041937200000000 ] - [ -0.0002190200000000, -0.0053922700000000, 0.0042662000000000 ] - [ 0.0000455800000000, -0.0053977900000000, 0.0043374300000000 ] - [ 0.0002048500000000, -0.0053920600000000, 0.0042660300000000 ] - [ 0.0000472400000000, -0.0053863300000000, 0.0041937200000000 ] - [ -0.0001546900000000, 0.0061943800000000, 0.0032623500000000 ] - [ 0.0002522600000000, 0.0055042600000000, 0.0041870200000000 ] - [ 0.0002522200000000, 0.0052795100000000, 0.0043446900000000 ] - [ -0.0001535500000000, 0.0045908400000000, 0.0052699300000000 ] - [ 0.0003499300000000, 0.0064500800000000, 0.0000000000000000 ] - [ 0.0000407400000000, 0.0071511900000000, 0.0000000000000000 ] - [ 0.0000409400000000, 0.0071797100000000, 0.0000000000000000 ] - [ 0.0003451800000000, 0.0078747800000000, 0.0000000000000000 ] - [ 0.0000197800000000, -0.0071699100000000, 0.0000000000000000 ] - [ -0.0000286500000000, -0.0071158000000000, 0.0000000000000000 ] - [ 0.0000091100000000, -0.0071701300000000, 0.0000000000000000 ] - [ -0.0000294400000000, -0.0072209300000000, 0.0000000000000000 ] - [ -0.0008147800000000, 0.0071684300000000, 0.0000000000000000 ] - [ -0.0001183100000000, 0.0072465400000000, 0.0000000000000000 ] - [ 0.0000839500000000, 0.0071685700000000, 0.0000000000000000 ] - [ -0.0001129700000000, 0.0070885300000000, 0.0000000000000000 ] - [ -0.0000159800000000, -0.0071353800000000, 0.0000000000000000 ] - [ 0.0000035500000000, -0.0071583000000000, 0.0000000000000000 ] - [ 0.0000044500000000, -0.0071791800000000, 0.0000000000000000 ] - [ -0.0000142700000000, -0.0072031600000000, 0.0000000000000000 ] - [ 0.0004111000000000, 0.0089184500000000, 0.0063854600000000 ] - [ -0.0001056100000000, 0.0088496500000000, 0.0065416900000000 ] - [ -0.0001856900000000, 0.0089195300000000, 0.0063841900000000 ] - [ -0.0001057000000000, 0.0089891800000000, 0.0062268300000000 ] - [ 0.0029472600000000, -0.0112917200000000, 0.0086752100000000 ] - [ -0.0003169300000000, -0.0087814700000000, 0.0062550800000000 ] - [ -0.0003161500000000, -0.0090573200000000, 0.0065112200000000 ] - [ 0.0029074400000000, -0.0066163000000000, 0.0041522300000000 ] - [ 0.0029472600000000, -0.0112917200000000, -0.0086752100000000 ] - [ -0.0003169300000000, -0.0087814700000000, -0.0062550800000000 ] - [ -0.0003161500000000, -0.0090573200000000, -0.0065112200000000 ] - [ 0.0029074400000000, -0.0066163000000000, -0.0041522300000000 ] - [ 0.0004111000000000, 0.0089184500000000, -0.0063854600000000 ] - [ -0.0001056100000000, 0.0088496500000000, -0.0065416900000000 ] - [ -0.0001856900000000, 0.0089195300000000, -0.0063841900000000 ] - [ -0.0001057000000000, 0.0089891800000000, -0.0062268300000000 ] - [ 0.0001845800000000, 0.0000953500000000, -0.0000254000000000 ] - [ -0.0002252400000000, 0.0000914100000000, -0.0000618600000000 ] - [ -0.0002266600000000, -0.0000926800000000, 0.0000617800000000 ] - [ 0.0001846300000000, -0.0000964500000000, 0.0000250000000000 ] - [ 0.0001845800000000, 0.0000953500000000, 0.0000254000000000 ] - [ -0.0002252400000000, 0.0000914100000000, 0.0000618600000000 ] - [ -0.0002266600000000, -0.0000926800000000, -0.0000617800000000 ] - [ 0.0001846300000000, -0.0000964500000000, -0.0000250000000000 ] - [ 0.0004557000000000, -0.0087218700000000, 0.0000000000000000 ] - [ -0.0002526300000000, -0.0084888500000000, 0.0000000000000000 ] - [ -0.0001641800000000, -0.0087213100000000, 0.0000000000000000 ] - [ -0.0002521900000000, -0.0089537600000000, 0.0000000000000000 ] - [ 0.0000555200000000, 0.0087430500000000, 0.0000000000000000 ] - [ -0.0000868000000000, 0.0087047700000000, 0.0000000000000000 ] - [ -0.0000882100000000, 0.0087358100000000, 0.0000000000000000 ] - [ 0.0000541700000000, 0.0086980100000000, 0.0000000000000000 ] - [ 0.0000597200000000, 0.0088069500000000, 0.0064978100000000 ] - [ -0.0000882000000000, 0.0088725300000000, 0.0064048600000000 ] - [ -0.0000886800000000, 0.0089651400000000, 0.0063641500000000 ] - [ 0.0000589500000000, 0.0090318800000000, 0.0062697700000000 ] - [ 0.0004368800000000, -0.0089209100000000, 0.0063837800000000 ] - [ -0.0000433600000000, -0.0089635700000000, 0.0063127000000000 ] - [ -0.0001515800000000, -0.0089211600000000, 0.0063835000000000 ] - [ -0.0000455300000000, -0.0088763200000000, 0.0064576500000000 ] - [ 0.0004368800000000, -0.0089209100000000, -0.0063837800000000 ] - [ -0.0000433600000000, -0.0089635700000000, -0.0063127000000000 ] - [ -0.0001515800000000, -0.0089211600000000, -0.0063835000000000 ] - [ -0.0000455300000000, -0.0088763200000000, -0.0064576500000000 ] - [ 0.0000597200000000, 0.0088069500000000, -0.0064978100000000 ] - [ -0.0000882000000000, 0.0088725300000000, -0.0064048600000000 ] - [ -0.0000886800000000, 0.0089651400000000, -0.0063641500000000 ] - [ 0.0000589500000000, 0.0090318800000000, -0.0062697700000000 ] - [ 0.0013232500000000, -0.0000015400000000, 0.0000005700000000 ] - [ -0.0001817900000000, -0.0001174800000000, -0.0002166800000000 ] - [ -0.0002323400000000, -0.0000012700000000, 0.0000001100000000 ] - [ -0.0001802400000000, 0.0001139500000000, 0.0002153500000000 ] - [ 0.0013232500000000, -0.0000015400000000, -0.0000005700000000 ] - [ -0.0001817900000000, -0.0001174800000000, 0.0002166800000000 ] - [ -0.0002323400000000, -0.0000012700000000, -0.0000001100000000 ] - [ -0.0001802400000000, 0.0001139500000000, -0.0002153500000000 ] - [ 0.0047063400000000, -0.0030728400000000, 0.0000000000000000 ] - [ -0.0002306300000000, -0.0089162800000000, 0.0000000000000000 ] - [ -0.0002307100000000, -0.0085291200000000, 0.0000000000000000 ] - [ 0.0046350600000000, -0.0142380000000000, 0.0000000000000000 ] - [ 0.0000903100000000, 0.0087199700000000, 0.0000000000000000 ] - [ -0.0000158600000000, 0.0086878200000000, 0.0000000000000000 ] - [ -0.0000541200000000, 0.0087204800000000, 0.0000000000000000 ] - [ -0.0000146300000000, 0.0087526800000000, 0.0000000000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0230926900000000, 0.0000000000000000 ] - [ 0.0000508200000000, 0.0057462800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0065336900000000, 0.0000000000000000 ] - [ -0.0000508200000000, 0.0057462800000000, 0.0000000000000000 ] - [ -0.0000088600000000, -0.0065561000000000, 0.0000000000000000 ] - [ -0.0000208900000000, -0.0066000000000000, 0.0000000000000000 ] - [ 0.0000208900000000, -0.0066000000000000, 0.0000000000000000 ] - [ 0.0000088600000000, -0.0065561000000000, 0.0000000000000000 ] - [ 0.0000136600000000, 0.0071254800000000, 0.0000000000000000 ] - [ 0.0000192300000000, 0.0068494400000000, 0.0000000000000000 ] - [ -0.0000192300000000, 0.0068494400000000, 0.0000000000000000 ] - [ -0.0000136600000000, 0.0071254800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0065310200000000, 0.0000000000000000 ] - [ 0.0000377900000000, -0.0067156500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0067022700000000, 0.0000000000000000 ] - [ -0.0000377900000000, -0.0067156500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0074108200000000, -0.0063194100000000 ] - [ -0.0008998400000000, 0.0060441200000000, -0.0048823100000000 ] - [ 0.0000000000000000, 0.0054978200000000, -0.0044078400000000 ] - [ 0.0008998400000000, 0.0060441200000000, -0.0048823100000000 ] - [ 0.0002456800000000, -0.0066375100000000, -0.0036723200000000 ] - [ -0.0000246600000000, -0.0057125400000000, -0.0042893100000000 ] - [ 0.0000246600000000, -0.0057125400000000, -0.0042893100000000 ] - [ -0.0002456800000000, -0.0066375100000000, -0.0036723200000000 ] - [ 0.0002456800000000, -0.0066375100000000, 0.0036723200000000 ] - [ -0.0000246600000000, -0.0057125400000000, 0.0042893100000000 ] - [ 0.0000246600000000, -0.0057125400000000, 0.0042893100000000 ] - [ -0.0002456800000000, -0.0066375100000000, 0.0036723200000000 ] - [ 0.0000000000000000, 0.0074108200000000, 0.0063194100000000 ] - [ -0.0008998400000000, 0.0060441200000000, 0.0048823100000000 ] - [ 0.0000000000000000, 0.0054978200000000, 0.0044078400000000 ] - [ 0.0008998400000000, 0.0060441200000000, 0.0048823100000000 ] - [ 0.0008368000000000, 0.0064630400000000, -0.0025458900000000 ] - [ 0.0001988300000000, 0.0053181300000000, -0.0040416600000000 ] - [ -0.0001988300000000, 0.0053181300000000, -0.0040416600000000 ] - [ -0.0008368000000000, 0.0064630400000000, -0.0025458900000000 ] - [ 0.0000000000000000, -0.0047779900000000, -0.0044150100000000 ] - [ 0.0000751600000000, -0.0049712100000000, -0.0042691400000000 ] - [ 0.0000000000000000, -0.0051473900000000, -0.0042169100000000 ] - [ -0.0000751600000000, -0.0049712100000000, -0.0042691400000000 ] - [ 0.0000000000000000, -0.0047779900000000, 0.0044150100000000 ] - [ 0.0000751600000000, -0.0049712100000000, 0.0042691400000000 ] - [ 0.0000000000000000, -0.0051473900000000, 0.0042169100000000 ] - [ -0.0000751600000000, -0.0049712100000000, 0.0042691400000000 ] - [ 0.0008368000000000, 0.0064630400000000, 0.0025458900000000 ] - [ 0.0001988300000000, 0.0053181300000000, 0.0040416600000000 ] - [ -0.0001988300000000, 0.0053181300000000, 0.0040416600000000 ] - [ -0.0008368000000000, 0.0064630400000000, 0.0025458900000000 ] - [ -0.0008598800000000, 0.0081344700000000, 0.0000000000000000 ] - [ -0.0000381700000000, 0.0070836600000000, 0.0000000000000000 ] - [ 0.0000381700000000, 0.0070836600000000, 0.0000000000000000 ] - [ 0.0008598800000000, 0.0081344700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0072570900000000, 0.0000000000000000 ] - [ 0.0000436500000000, -0.0072259300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0071848100000000, 0.0000000000000000 ] - [ -0.0000436500000000, -0.0072259300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0081748000000000, 0.0000000000000000 ] - [ 0.0000756400000000, 0.0074754800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0072794500000000, 0.0000000000000000 ] - [ -0.0000756400000000, 0.0074754800000000, 0.0000000000000000 ] - [ -0.0000036800000000, -0.0070902000000000, 0.0000000000000000 ] - [ -0.0000014400000000, -0.0071644700000000, 0.0000000000000000 ] - [ 0.0000014400000000, -0.0071644700000000, 0.0000000000000000 ] - [ 0.0000036800000000, -0.0070902000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0092499500000000, 0.0060605800000000 ] - [ 0.0001538400000000, 0.0090919900000000, 0.0061652600000000 ] - [ 0.0000000000000000, 0.0089823800000000, 0.0063397000000000 ] - [ -0.0001538400000000, 0.0090919900000000, 0.0061652600000000 ] - [ -0.0020222500000000, -0.0065607300000000, 0.0045935100000000 ] - [ 0.0001652700000000, -0.0088084600000000, 0.0064113100000000 ] - [ -0.0001652700000000, -0.0088084600000000, 0.0064113100000000 ] - [ 0.0020222500000000, -0.0065607300000000, 0.0045935100000000 ] - [ -0.0020222500000000, -0.0065607300000000, -0.0045935100000000 ] - [ 0.0001652700000000, -0.0088084600000000, -0.0064113100000000 ] - [ -0.0001652700000000, -0.0088084600000000, -0.0064113100000000 ] - [ 0.0020222500000000, -0.0065607300000000, -0.0045935100000000 ] - [ 0.0000000000000000, 0.0092499500000000, -0.0060605800000000 ] - [ 0.0001538400000000, 0.0090919900000000, -0.0061652600000000 ] - [ 0.0000000000000000, 0.0089823800000000, -0.0063397000000000 ] - [ -0.0001538400000000, 0.0090919900000000, -0.0061652600000000 ] - [ 0.0000947400000000, -0.0005816500000000, 0.0002688000000000 ] - [ 0.0001013100000000, -0.0002859700000000, 0.0001492500000000 ] - [ -0.0001013100000000, -0.0002859700000000, 0.0001492500000000 ] - [ -0.0000947400000000, -0.0005816500000000, 0.0002688000000000 ] - [ 0.0000947400000000, -0.0005816500000000, -0.0002688000000000 ] - [ 0.0001013100000000, -0.0002859700000000, -0.0001492500000000 ] - [ -0.0001013100000000, -0.0002859700000000, -0.0001492500000000 ] - [ -0.0000947400000000, -0.0005816500000000, -0.0002688000000000 ] - [ 0.0000000000000000, -0.0096673800000000, 0.0000000000000000 ] - [ 0.0003118300000000, -0.0089146700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0087393900000000, 0.0000000000000000 ] - [ -0.0003118300000000, -0.0089146700000000, 0.0000000000000000 ] - [ 0.0000028100000000, 0.0088704200000000, 0.0000000000000000 ] - [ 0.0000138300000000, 0.0088301200000000, 0.0000000000000000 ] - [ -0.0000138300000000, 0.0088301200000000, 0.0000000000000000 ] - [ -0.0000028100000000, 0.0088704200000000, 0.0000000000000000 ] - [ -0.0000963100000000, 0.0085464700000000, 0.0066136100000000 ] - [ -0.0000466000000000, 0.0088312900000000, 0.0064416200000000 ] - [ 0.0000466000000000, 0.0088312900000000, 0.0064416200000000 ] - [ 0.0000963100000000, 0.0085464700000000, 0.0066136100000000 ] - [ 0.0000000000000000, -0.0093850200000000, 0.0058803300000000 ] - [ -0.0002589300000000, -0.0091760900000000, 0.0062234100000000 ] - [ 0.0000000000000000, -0.0090006900000000, 0.0063597400000000 ] - [ 0.0002589300000000, -0.0091760900000000, 0.0062234100000000 ] - [ 0.0000000000000000, -0.0093850200000000, -0.0058803300000000 ] - [ -0.0002589300000000, -0.0091760900000000, -0.0062234100000000 ] - [ 0.0000000000000000, -0.0090006900000000, -0.0063597400000000 ] - [ 0.0002589300000000, -0.0091760900000000, -0.0062234100000000 ] - [ -0.0000963100000000, 0.0085464700000000, -0.0066136100000000 ] - [ -0.0000466000000000, 0.0088312900000000, -0.0064416200000000 ] - [ 0.0000466000000000, 0.0088312900000000, -0.0064416200000000 ] - [ 0.0000963100000000, 0.0085464700000000, -0.0066136100000000 ] - [ 0.0000000000000000, 0.0010936200000000, -0.0006637100000000 ] - [ -0.0002295700000000, 0.0003671700000000, -0.0002127700000000 ] - [ 0.0000000000000000, 0.0001638000000000, -0.0000762500000000 ] - [ 0.0002295700000000, 0.0003671700000000, -0.0002127700000000 ] - [ 0.0000000000000000, 0.0010936200000000, 0.0006637100000000 ] - [ -0.0002295700000000, 0.0003671700000000, 0.0002127700000000 ] - [ 0.0000000000000000, 0.0001638000000000, 0.0000762500000000 ] - [ 0.0002295700000000, 0.0003671700000000, 0.0002127700000000 ] - [ 0.0053565800000000, -0.0026829600000000, 0.0000000000000000 ] - [ -0.0001887700000000, -0.0086965900000000, 0.0000000000000000 ] - [ 0.0001887700000000, -0.0086965900000000, 0.0000000000000000 ] - [ -0.0053565800000000, -0.0026829600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0085512300000000, 0.0000000000000000 ] - [ -0.0000727700000000, 0.0085750100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0086610900000000, 0.0000000000000000 ] - [ 0.0000727700000000, 0.0085750100000000, 0.0000000000000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0356134300000000, 0.0000000000000000 ] - [ -0.0000610900000000, 0.0075953400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0068095100000000, 0.0000000000000000 ] - [ 0.0000610900000000, 0.0075953400000000, 0.0000000000000000 ] - [ 0.0000086700000000, -0.0067772600000000, 0.0000000000000000 ] - [ 0.0000208000000000, -0.0067333000000000, 0.0000000000000000 ] - [ -0.0000208000000000, -0.0067333000000000, 0.0000000000000000 ] - [ -0.0000086700000000, -0.0067772600000000, 0.0000000000000000 ] - [ -0.0000117300000000, 0.0062174000000000, 0.0000000000000000 ] - [ -0.0000192200000000, 0.0064933700000000, 0.0000000000000000 ] - [ 0.0000192200000000, 0.0064933700000000, 0.0000000000000000 ] - [ 0.0000117300000000, 0.0062174000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0068010500000000, 0.0000000000000000 ] - [ -0.0000380600000000, -0.0066174500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0066305400000000, 0.0000000000000000 ] - [ 0.0000380600000000, -0.0066174500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0033603700000000, -0.0021834500000000 ] - [ 0.0009019800000000, 0.0047416000000000, -0.0036431100000000 ] - [ 0.0000000000000000, 0.0052878900000000, -0.0041204500000000 ] - [ -0.0009019800000000, 0.0047416000000000, -0.0036431100000000 ] - [ -0.0002429000000000, -0.0041407100000000, -0.0048501300000000 ] - [ 0.0000256900000000, -0.0050638700000000, -0.0042377700000000 ] - [ -0.0000256900000000, -0.0050638700000000, -0.0042377700000000 ] - [ 0.0002429000000000, -0.0041407100000000, -0.0048501300000000 ] - [ -0.0002429000000000, -0.0041407100000000, 0.0048501300000000 ] - [ 0.0000256900000000, -0.0050638700000000, 0.0042377700000000 ] - [ -0.0000256900000000, -0.0050638700000000, 0.0042377700000000 ] - [ 0.0002429000000000, -0.0041407100000000, 0.0048501300000000 ] - [ 0.0000000000000000, 0.0033603700000000, 0.0021834500000000 ] - [ 0.0009019800000000, 0.0047416000000000, 0.0036431100000000 ] - [ 0.0000000000000000, 0.0052878900000000, 0.0041204500000000 ] - [ -0.0009019800000000, 0.0047416000000000, 0.0036431100000000 ] - [ -0.0008270600000000, 0.0043332600000000, -0.0059689900000000 ] - [ -0.0001985300000000, 0.0054677200000000, -0.0044865100000000 ] - [ 0.0001985300000000, 0.0054677200000000, -0.0044865100000000 ] - [ 0.0008270600000000, 0.0043332600000000, -0.0059689900000000 ] - [ 0.0000000000000000, -0.0059979800000000, -0.0041169000000000 ] - [ -0.0000747800000000, -0.0058047400000000, -0.0042580800000000 ] - [ 0.0000000000000000, -0.0056285900000000, -0.0043098200000000 ] - [ 0.0000747800000000, -0.0058047400000000, -0.0042580800000000 ] - [ 0.0000000000000000, -0.0059979800000000, 0.0041169000000000 ] - [ -0.0000747800000000, -0.0058047400000000, 0.0042580800000000 ] - [ 0.0000000000000000, -0.0056285900000000, 0.0043098200000000 ] - [ 0.0000747800000000, -0.0058047400000000, 0.0042580800000000 ] - [ -0.0008270600000000, 0.0043332600000000, 0.0059689900000000 ] - [ -0.0001985300000000, 0.0054677200000000, 0.0044865100000000 ] - [ 0.0001985300000000, 0.0054677200000000, 0.0044865100000000 ] - [ 0.0008270600000000, 0.0043332600000000, 0.0059689900000000 ] - [ 0.0008813400000000, 0.0061953200000000, 0.0000000000000000 ] - [ 0.0000386400000000, 0.0072692000000000, 0.0000000000000000 ] - [ -0.0000386400000000, 0.0072692000000000, 0.0000000000000000 ] - [ -0.0008813400000000, 0.0061953200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0070837500000000, 0.0000000000000000 ] - [ -0.0000430000000000, -0.0071160100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0071582400000000, 0.0000000000000000 ] - [ 0.0000430000000000, -0.0071160100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0062207600000000, 0.0000000000000000 ] - [ -0.0000845200000000, 0.0068768200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0070736400000000, 0.0000000000000000 ] - [ 0.0000845200000000, 0.0068768200000000, 0.0000000000000000 ] - [ 0.0000032200000000, -0.0072531000000000, 0.0000000000000000 ] - [ 0.0000014900000000, -0.0071788000000000, 0.0000000000000000 ] - [ -0.0000014900000000, -0.0071788000000000, 0.0000000000000000 ] - [ -0.0000032200000000, -0.0072531000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0085896000000000, 0.0067127200000000 ] - [ -0.0001542000000000, 0.0087522700000000, 0.0066036400000000 ] - [ 0.0000000000000000, 0.0088602100000000, 0.0064315900000000 ] - [ 0.0001542000000000, 0.0087522700000000, 0.0066036400000000 ] - [ 0.0020762700000000, -0.0113124000000000, 0.0082266600000000 ] - [ -0.0001650000000000, -0.0090263900000000, 0.0063564300000000 ] - [ 0.0001650000000000, -0.0090263900000000, 0.0063564300000000 ] - [ -0.0020762700000000, -0.0113124000000000, 0.0082266600000000 ] - [ 0.0020762700000000, -0.0113124000000000, -0.0082266600000000 ] - [ -0.0001650000000000, -0.0090263900000000, -0.0063564300000000 ] - [ 0.0001650000000000, -0.0090263900000000, -0.0063564300000000 ] - [ -0.0020762700000000, -0.0113124000000000, -0.0082266600000000 ] - [ 0.0000000000000000, 0.0085896000000000, -0.0067127200000000 ] - [ -0.0001542000000000, 0.0087522700000000, -0.0066036400000000 ] - [ 0.0000000000000000, 0.0088602100000000, -0.0064315900000000 ] - [ 0.0001542000000000, 0.0087522700000000, -0.0066036400000000 ] - [ -0.0000966100000000, 0.0005860500000000, -0.0002696500000000 ] - [ -0.0001009600000000, 0.0002900000000000, -0.0001488900000000 ] - [ 0.0001009600000000, 0.0002900000000000, -0.0001488900000000 ] - [ 0.0000966100000000, 0.0005860500000000, -0.0002696500000000 ] - [ -0.0000966100000000, 0.0005860500000000, 0.0002696500000000 ] - [ -0.0001009600000000, 0.0002900000000000, 0.0001488900000000 ] - [ 0.0001009600000000, 0.0002900000000000, 0.0001488900000000 ] - [ 0.0000966100000000, 0.0005860500000000, 0.0002696500000000 ] - [ 0.0000000000000000, -0.0077544100000000, 0.0000000000000000 ] - [ -0.0003103300000000, -0.0085228700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0086961700000000, 0.0000000000000000 ] - [ 0.0003103300000000, -0.0085228700000000, 0.0000000000000000 ] - [ -0.0000006200000000, 0.0085777400000000, 0.0000000000000000 ] - [ -0.0000155400000000, 0.0086186300000000, 0.0000000000000000 ] - [ 0.0000155400000000, 0.0086186300000000, 0.0000000000000000 ] - [ 0.0000006200000000, 0.0085777400000000, 0.0000000000000000 ] - [ 0.0000952800000000, 0.0092965200000000, 0.0061570000000000 ] - [ 0.0000462500000000, 0.0090123000000000, 0.0063270800000000 ] - [ -0.0000462500000000, 0.0090123000000000, 0.0063270800000000 ] - [ -0.0000952800000000, 0.0092965200000000, 0.0061570000000000 ] - [ 0.0000000000000000, -0.0084473800000000, 0.0068882800000000 ] - [ 0.0002592300000000, -0.0086551100000000, 0.0065489200000000 ] - [ 0.0000000000000000, -0.0088331600000000, 0.0064091800000000 ] - [ -0.0002592300000000, -0.0086551100000000, 0.0065489200000000 ] - [ 0.0000000000000000, -0.0084473800000000, -0.0068882800000000 ] - [ 0.0002592300000000, -0.0086551100000000, -0.0065489200000000 ] - [ 0.0000000000000000, -0.0088331600000000, -0.0064091800000000 ] - [ -0.0002592300000000, -0.0086551100000000, -0.0065489200000000 ] - [ 0.0000952800000000, 0.0092965200000000, -0.0061570000000000 ] - [ 0.0000462500000000, 0.0090123000000000, -0.0063270800000000 ] - [ -0.0000462500000000, 0.0090123000000000, -0.0063270800000000 ] - [ -0.0000952800000000, 0.0092965200000000, -0.0061570000000000 ] - [ 0.0000000000000000, -0.0010787300000000, 0.0006658000000000 ] - [ 0.0002284400000000, -0.0003619500000000, 0.0002124800000000 ] - [ 0.0000000000000000, -0.0001593200000000, 0.0000764900000000 ] - [ -0.0002284400000000, -0.0003619500000000, 0.0002124800000000 ] - [ 0.0000000000000000, -0.0010787300000000, -0.0006658000000000 ] - [ 0.0002284400000000, -0.0003619500000000, -0.0002124800000000 ] - [ 0.0000000000000000, -0.0001593200000000, -0.0000764900000000 ] - [ -0.0002284400000000, -0.0003619500000000, -0.0002124800000000 ] - [ -0.0051949400000000, -0.0145943900000000, 0.0000000000000000 ] - [ 0.0001891000000000, -0.0087396400000000, 0.0000000000000000 ] - [ -0.0001891000000000, -0.0087396400000000, 0.0000000000000000 ] - [ 0.0051949400000000, -0.0145943900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0088944600000000, 0.0000000000000000 ] - [ 0.0000724900000000, 0.0088708200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0087847600000000, 0.0000000000000000 ] - [ -0.0000724900000000, 0.0088708200000000, 0.0000000000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0074026700000000, -0.0164007400000000 ] - [ -0.0000062000000000, 0.0066677200000000, -0.0006911800000000 ] - [ 0.0000000000000000, 0.0066670200000000, -0.0000677100000000 ] - [ 0.0000062000000000, 0.0066677200000000, -0.0006911800000000 ] - [ -0.0000000500000000, -0.0066734000000000, 0.0000876900000000 ] - [ 0.0000000100000000, -0.0066732900000000, 0.0000485900000000 ] - [ -0.0000000100000000, -0.0066732900000000, 0.0000485900000000 ] - [ 0.0000000500000000, -0.0066734000000000, 0.0000876900000000 ] - [ 0.0000000900000000, 0.0066642300000000, -0.0000511500000000 ] - [ -0.0000003500000000, 0.0066647600000000, -0.0000386900000000 ] - [ 0.0000003500000000, 0.0066647600000000, -0.0000386900000000 ] - [ -0.0000000900000000, 0.0066642300000000, -0.0000511500000000 ] - [ 0.0000000000000000, -0.0066745700000000, 0.0004222500000000 ] - [ -0.0000001500000000, -0.0066737500000000, 0.0000851200000000 ] - [ 0.0000000000000000, -0.0066737100000000, 0.0000267200000000 ] - [ 0.0000001500000000, -0.0066737500000000, 0.0000851200000000 ] - [ 0.0000000000000000, 0.0033714900000000, -0.0035736900000000 ] - [ 0.0006887600000000, 0.0048326500000000, -0.0041797800000000 ] - [ 0.0000000000000000, 0.0053368500000000, -0.0043415200000000 ] - [ -0.0006887600000000, 0.0048326500000000, -0.0041797800000000 ] - [ -0.0011424300000000, -0.0049033400000000, -0.0023622700000000 ] - [ -0.0001544900000000, -0.0053685400000000, -0.0041221800000000 ] - [ 0.0001544900000000, -0.0053685400000000, -0.0041221800000000 ] - [ 0.0011424300000000, -0.0049033400000000, -0.0023622700000000 ] - [ 0.0011573500000000, -0.0058821700000000, 0.0061741500000000 ] - [ 0.0001577900000000, -0.0054143000000000, 0.0043954600000000 ] - [ -0.0001577900000000, -0.0054143000000000, 0.0043954600000000 ] - [ -0.0011573500000000, -0.0058821700000000, 0.0061741500000000 ] - [ 0.0000000000000000, 0.0073696700000000, 0.0049316200000000 ] - [ -0.0006824200000000, 0.0059275000000000, 0.0043357300000000 ] - [ 0.0000000000000000, 0.0054256100000000, 0.0041780000000000 ] - [ 0.0006824200000000, 0.0059275000000000, 0.0043357300000000 ] - [ 0.0010226000000000, 0.0066446800000000, -0.0046622800000000 ] - [ 0.0001177800000000, 0.0055012000000000, -0.0043897100000000 ] - [ -0.0001177800000000, 0.0055012000000000, -0.0043897100000000 ] - [ -0.0010226000000000, 0.0066446800000000, -0.0046622800000000 ] - [ 0.0000000000000000, -0.0053423200000000, -0.0041414300000000 ] - [ -0.0000907500000000, -0.0053262300000000, -0.0041757200000000 ] - [ 0.0000000000000000, -0.0053421200000000, -0.0041940600000000 ] - [ 0.0000907500000000, -0.0053262300000000, -0.0041757200000000 ] - [ 0.0000000000000000, -0.0054433600000000, 0.0043772300000000 ] - [ 0.0000893100000000, -0.0054578900000000, 0.0043413000000000 ] - [ 0.0000000000000000, -0.0054410200000000, 0.0043212700000000 ] - [ -0.0000893100000000, -0.0054578900000000, 0.0043413000000000 ] - [ -0.0010171000000000, 0.0041290100000000, 0.0038629100000000 ] - [ -0.0001156500000000, 0.0052631900000000, 0.0041305500000000 ] - [ 0.0001156500000000, 0.0052631900000000, 0.0041305500000000 ] - [ 0.0010171000000000, 0.0041290100000000, 0.0038629100000000 ] - [ -0.0000013400000000, 0.0071720800000000, -0.0005445500000000 ] - [ 0.0000001600000000, 0.0071683900000000, -0.0000140900000000 ] - [ -0.0000001600000000, 0.0071683900000000, -0.0000140900000000 ] - [ 0.0000013400000000, 0.0071720800000000, -0.0005445500000000 ] - [ 0.0000000000000000, -0.0071753200000000, -0.0000128100000000 ] - [ 0.0000001900000000, -0.0071793300000000, -0.0000094100000000 ] - [ 0.0000000000000000, -0.0071770300000000, -0.0000053000000000 ] - [ -0.0000001900000000, -0.0071793300000000, -0.0000094100000000 ] - [ 0.0000000000000000, 0.0071664100000000, -0.0000064600000000 ] - [ -0.0000019500000000, 0.0071685800000000, 0.0001268900000000 ] - [ 0.0000000000000000, 0.0071675200000000, -0.0000069600000000 ] - [ 0.0000019500000000, 0.0071685800000000, 0.0001268900000000 ] - [ 0.0000003100000000, -0.0071785500000000, 0.0000189700000000 ] - [ -0.0000005000000000, -0.0071777400000000, -0.0000038900000000 ] - [ 0.0000005000000000, -0.0071777400000000, -0.0000038900000000 ] - [ -0.0000003100000000, -0.0071785500000000, 0.0000189700000000 ] - [ 0.0000000000000000, 0.0088299600000000, 0.0060711600000000 ] - [ 0.0002038100000000, 0.0088296200000000, 0.0061678200000000 ] - [ 0.0000000000000000, 0.0088923400000000, 0.0063262300000000 ] - [ -0.0002038100000000, 0.0088296200000000, 0.0061678200000000 ] - [ 0.0021475500000000, -0.0109662000000000, 0.0089861700000000 ] - [ -0.0001348800000000, -0.0089587200000000, 0.0064422000000000 ] - [ 0.0001348800000000, -0.0089587200000000, 0.0064422000000000 ] - [ -0.0021475500000000, -0.0109662000000000, 0.0089861700000000 ] - [ -0.0020944000000000, -0.0069440900000000, -0.0038364400000000 ] - [ 0.0001336100000000, -0.0088938200000000, -0.0063393500000000 ] - [ -0.0001336100000000, -0.0088938200000000, -0.0063393500000000 ] - [ 0.0020944000000000, -0.0069440900000000, -0.0038364400000000 ] - [ 0.0000000000000000, 0.0090035600000000, -0.0067103100000000 ] - [ -0.0002054100000000, 0.0090052500000000, -0.0066120100000000 ] - [ 0.0000000000000000, 0.0089399600000000, -0.0064535000000000 ] - [ 0.0002054100000000, 0.0090052500000000, -0.0066120100000000 ] - [ -0.0000763700000000, 0.0002878000000000, -0.0001174400000000 ] - [ -0.0001299600000000, 0.0001062300000000, -0.0000390000000000 ] - [ 0.0001299600000000, 0.0001062300000000, -0.0000390000000000 ] - [ 0.0000763700000000, 0.0002878000000000, -0.0001174400000000 ] - [ 0.0000755700000000, -0.0002949300000000, -0.0001164600000000 ] - [ 0.0001303600000000, -0.0001162500000000, -0.0000388200000000 ] - [ -0.0001303600000000, -0.0001162500000000, -0.0000388200000000 ] - [ -0.0000755700000000, -0.0002949300000000, -0.0001164600000000 ] - [ 0.0000000000000000, -0.0087270600000000, 0.0006837300000000 ] - [ -0.0000021300000000, -0.0087261700000000, 0.0004218500000000 ] - [ 0.0000000000000000, -0.0087293300000000, 0.0001056300000000 ] - [ 0.0000021300000000, -0.0087261700000000, 0.0004218500000000 ] - [ 0.0000004000000000, 0.0087161000000000, -0.0006453600000000 ] - [ -0.0000006800000000, 0.0087171600000000, -0.0001581000000000 ] - [ 0.0000006800000000, 0.0087171600000000, -0.0001581000000000 ] - [ -0.0000004000000000, 0.0087161000000000, -0.0006453600000000 ] - [ 0.0000683000000000, 0.0089992700000000, 0.0063156000000000 ] - [ 0.0000146900000000, 0.0089020800000000, 0.0063484700000000 ] - [ -0.0000146900000000, 0.0089020800000000, 0.0063484700000000 ] - [ -0.0000683000000000, 0.0089992700000000, 0.0063156000000000 ] - [ 0.0000000000000000, -0.0089710300000000, 0.0066158300000000 ] - [ -0.0000704600000000, -0.0089545900000000, 0.0065273300000000 ] - [ 0.0000000000000000, -0.0089479300000000, 0.0064169900000000 ] - [ 0.0000704600000000, -0.0089545900000000, 0.0065273300000000 ] - [ 0.0000000000000000, -0.0088781500000000, -0.0061693700000000 ] - [ 0.0000721100000000, -0.0088958500000000, -0.0062556800000000 ] - [ 0.0000000000000000, -0.0089044700000000, -0.0063628800000000 ] - [ -0.0000721100000000, -0.0088958500000000, -0.0062556800000000 ] - [ -0.0000682800000000, 0.0088315900000000, -0.0064641000000000 ] - [ -0.0000150300000000, 0.0089276200000000, -0.0064322400000000 ] - [ 0.0000150300000000, 0.0089276200000000, -0.0064322400000000 ] - [ 0.0000682800000000, 0.0088315900000000, -0.0064641000000000 ] - [ 0.0000000000000000, -0.0004132300000000, 0.0002169300000000 ] - [ -0.0003616800000000, -0.0001217100000000, -0.0000506400000000 ] - [ 0.0000000000000000, -0.0000277100000000, -0.0000042600000000 ] - [ 0.0003616800000000, -0.0001217100000000, -0.0000506400000000 ] - [ 0.0000000000000000, 0.0004191300000000, 0.0001574500000000 ] - [ 0.0003593600000000, 0.0001094100000000, -0.0000521700000000 ] - [ 0.0000000000000000, 0.0000173300000000, -0.0000046500000000 ] - [ -0.0003593600000000, 0.0001094100000000, -0.0000521700000000 ] - [ -0.0000070400000000, -0.0087377500000000, 0.0004923800000000 ] - [ 0.0000016600000000, -0.0087274300000000, 0.0000849900000000 ] - [ -0.0000016600000000, -0.0087274300000000, 0.0000849900000000 ] - [ 0.0000070400000000, -0.0087377500000000, 0.0004923800000000 ] - [ 0.0000000000000000, 0.0087193400000000, -0.0001065400000000 ] - [ -0.0000002600000000, 0.0087196400000000, -0.0000942200000000 ] - [ 0.0000000000000000, 0.0087200600000000, -0.0000833300000000 ] - [ 0.0000002600000000, 0.0087196400000000, -0.0000942200000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0016160300000000, 0.0066652300000000, 0.0000030400000000 ] - [ 0.0006910700000000, 0.0075737600000000, -0.0006889600000000 ] - [ 0.0004437300000000, 0.0066691800000000, 0.0000001300000000 ] - [ 0.0006873900000000, 0.0057696300000000, 0.0006871300000000 ] - [ -0.0002327800000000, -0.0064221100000000, 0.0011530900000000 ] - [ 0.0002968400000000, -0.0066936600000000, 0.0001566200000000 ] - [ 0.0002969900000000, -0.0066444700000000, -0.0001567400000000 ] - [ -0.0002284600000000, -0.0069130000000000, -0.0011515300000000 ] - [ -0.0001482700000000, 0.0058361200000000, -0.0010234000000000 ] - [ 0.0002560500000000, 0.0064697800000000, -0.0001166800000000 ] - [ 0.0002565800000000, 0.0068665300000000, 0.0001172200000000 ] - [ -0.0001456300000000, 0.0075000100000000, 0.0010213500000000 ] - [ -0.0002122300000000, -0.0066688500000000, -0.0000003700000000 ] - [ 0.0000524700000000, -0.0065939900000000, 0.0000898000000000 ] - [ 0.0002085200000000, -0.0066686700000000, -0.0000004200000000 ] - [ 0.0000520000000000, -0.0067424600000000, -0.0000907500000000 ] - [ -0.0679088200000000, 0.0051383000000000, -0.0041809200000000 ] - [ 0.0146525400000000, 0.0049505600000000, -0.0045407500000000 ] - [ 0.0034800000000000, 0.0053883700000000, -0.0042636200000000 ] - [ 0.0144607400000000, 0.0058254600000000, -0.0039885400000000 ] - [ -0.0003725800000000, -0.0048048400000000, -0.0049591900000000 ] - [ 0.0006996900000000, -0.0051685900000000, -0.0042087800000000 ] - [ 0.0006962700000000, -0.0056143000000000, -0.0043211900000000 ] - [ -0.0003827200000000, -0.0059755500000000, -0.0035613600000000 ] - [ -0.0011968400000000, -0.0015789600000000, 0.0106284500000000 ] - [ 0.0013632800000000, -0.0047006200000000, 0.0046093400000000 ] - [ 0.0013609600000000, -0.0060786000000000, 0.0039221600000000 ] - [ -0.0012049300000000, -0.0091763500000000, -0.0020849300000000 ] - [ -0.0024815100000000, 0.0053924000000000, 0.0042722100000000 ] - [ 0.0008653700000000, 0.0050808100000000, 0.0028036200000000 ] - [ 0.0011154300000000, 0.0053915800000000, 0.0042648400000000 ] - [ 0.0008640100000000, 0.0057018100000000, 0.0057222200000000 ] - [ -0.0008807100000000, 0.0052961900000000, -0.0044577200000000 ] - [ 0.0008831400000000, 0.0053811800000000, -0.0044646700000000 ] - [ 0.0008833800000000, 0.0054030500000000, -0.0040650600000000 ] - [ -0.0008817100000000, 0.0054870800000000, -0.0040709900000000 ] - [ -0.0006357100000000, -0.0053923800000000, -0.0042664100000000 ] - [ -0.0000524800000000, -0.0056246000000000, -0.0039230200000000 ] - [ 0.0007804800000000, -0.0053928200000000, -0.0042658200000000 ] - [ -0.0000504000000000, -0.0051591300000000, -0.0046098800000000 ] - [ -0.0096994200000000, -0.0053838000000000, 0.0042618500000000 ] - [ 0.0041419300000000, -0.0097130400000000, 0.0063577700000000 ] - [ 0.0024160200000000, -0.0053970500000000, 0.0042673500000000 ] - [ 0.0041436000000000, -0.0010791200000000, 0.0021791800000000 ] - [ -0.0004376500000000, 0.0054535600000000, 0.0041869100000000 ] - [ 0.0004366900000000, 0.0054227500000000, 0.0042359100000000 ] - [ 0.0004348300000000, 0.0053622600000000, 0.0042955700000000 ] - [ -0.0004378900000000, 0.0053317300000000, 0.0043426400000000 ] - [ -0.0011066600000000, 0.0056078400000000, -0.0011747200000000 ] - [ 0.0002346800000000, 0.0071690800000000, -0.0000003600000000 ] - [ 0.0002337000000000, 0.0071698300000000, 0.0000008300000000 ] - [ -0.0011247200000000, 0.0087208100000000, 0.0011270500000000 ] - [ 0.0006771300000000, -0.0071694400000000, 0.0000001300000000 ] - [ -0.0002095200000000, -0.0068749600000000, 0.0000892600000000 ] - [ 0.0000673900000000, -0.0071699900000000, -0.0000006900000000 ] - [ -0.0002104000000000, -0.0074643300000000, -0.0000897200000000 ] - [ -0.0001384200000000, 0.0071690500000000, 0.0000006800000000 ] - [ -0.0000154300000000, 0.0070304000000000, -0.0000834400000000 ] - [ 0.0000984300000000, 0.0071687400000000, 0.0000007500000000 ] - [ -0.0000157300000000, 0.0073071100000000, 0.0000849700000000 ] - [ -0.0000701700000000, -0.0069884000000000, -0.0000294900000000 ] - [ 0.0000807100000000, -0.0071614000000000, -0.0000728900000000 ] - [ 0.0000808200000000, -0.0071756100000000, 0.0000710800000000 ] - [ -0.0000700500000000, -0.0073455100000000, 0.0000274300000000 ] - [ 0.0009901900000000, 0.0089116700000000, 0.0063822600000000 ] - [ -0.0002833400000000, 0.0086271200000000, 0.0064910200000000 ] - [ -0.0004818600000000, 0.0089216200000000, 0.0063852700000000 ] - [ -0.0002831000000000, 0.0092134300000000, 0.0062807900000000 ] - [ 0.0153947500000000, 0.0040851700000000, 0.0000677300000000 ] - [ -0.0026374600000000, -0.0094474200000000, 0.0064007800000000 ] - [ -0.0026281400000000, -0.0083978400000000, 0.0063698000000000 ] - [ 0.0149247200000000, -0.0213926100000000, 0.0125015400000000 ] - [ 0.0002713300000000, -0.0090638800000000, -0.0048448400000000 ] - [ -0.0006043400000000, -0.0089361800000000, -0.0061231600000000 ] - [ -0.0006038100000000, -0.0089060100000000, -0.0066480400000000 ] - [ 0.0002666800000000, -0.0087730500000000, -0.0079271400000000 ] - [ 0.0025597000000000, 0.0088853800000000, -0.0064456400000000 ] - [ -0.0006715100000000, 0.0079121800000000, -0.0076209300000000 ] - [ -0.0008097800000000, 0.0089209800000000, -0.0063859700000000 ] - [ -0.0006722900000000, 0.0099252500000000, -0.0051572700000000 ] - [ 0.0077790000000000, -0.0022620700000000, 0.0011484900000000 ] - [ -0.0036980900000000, 0.0007893900000000, -0.0003591800000000 ] - [ -0.0036897600000000, -0.0007761400000000, 0.0003527600000000 ] - [ 0.0074541300000000, 0.0019552900000000, -0.0010126700000000 ] - [ 0.0006121600000000, 0.0001492900000000, 0.0000070300000000 ] - [ -0.0006078300000000, 0.0001950900000000, 0.0001495200000000 ] - [ -0.0006079800000000, -0.0001936600000000, -0.0001483800000000 ] - [ 0.0006084500000000, -0.0001498300000000, -0.0000072200000000 ] - [ 0.0026098900000000, -0.0086785400000000, 0.0000858000000000 ] - [ -0.0000617500000000, -0.0082439500000000, 0.0014776700000000 ] - [ -0.0005255200000000, -0.0087210000000000, -0.0000004300000000 ] - [ -0.0000661200000000, -0.0091940700000000, -0.0014785000000000 ] - [ 0.0002961800000000, 0.0086844300000000, -0.0007162200000000 ] - [ -0.0003671000000000, 0.0085225000000000, -0.0002425400000000 ] - [ -0.0003696700000000, 0.0089182800000000, 0.0002441800000000 ] - [ 0.0003027600000000, 0.0087569300000000, 0.0007109700000000 ] - [ 0.0002829200000000, 0.0088747700000000, 0.0063533000000000 ] - [ -0.0003247000000000, 0.0089731100000000, 0.0062330900000000 ] - [ -0.0003247800000000, 0.0088674600000000, 0.0065393300000000 ] - [ 0.0002830000000000, 0.0089663400000000, 0.0064184100000000 ] - [ 0.0007949800000000, -0.0089189500000000, 0.0063866900000000 ] - [ -0.0001365100000000, -0.0080103500000000, 0.0066877200000000 ] - [ -0.0005138400000000, -0.0089202800000000, 0.0063857100000000 ] - [ -0.0001371500000000, -0.0098300600000000, 0.0060839400000000 ] - [ 0.0003912100000000, -0.0089205700000000, -0.0063862700000000 ] - [ -0.0000009300000000, -0.0087503400000000, -0.0063404800000000 ] - [ -0.0003465500000000, -0.0089209500000000, -0.0063855300000000 ] - [ -0.0000013200000000, -0.0090904100000000, -0.0064325400000000 ] - [ 0.0010105400000000, 0.0094133500000000, -0.0066409900000000 ] - [ -0.0013709900000000, 0.0094482100000000, -0.0065930400000000 ] - [ -0.0013760700000000, 0.0083912600000000, -0.0061791500000000 ] - [ 0.0010164000000000, 0.0084300300000000, -0.0061310800000000 ] - [ 0.0017074600000000, -0.0000006400000000, -0.0000008800000000 ] - [ -0.0003093500000000, -0.0006885800000000, -0.0001989800000000 ] - [ -0.0009710200000000, -0.0000011400000000, 0.0000004000000000 ] - [ -0.0003133800000000, 0.0006907300000000, 0.0001984900000000 ] - [ 0.0006221300000000, -0.0000006600000000, -0.0000000400000000 ] - [ -0.0000495700000000, -0.0002241200000000, 0.0000223300000000 ] - [ -0.0005212000000000, -0.0000007400000000, -0.0000004300000000 ] - [ -0.0000491000000000, 0.0002230900000000, -0.0000238700000000 ] - [ 0.0003068700000000, -0.0088096400000000, 0.0001724100000000 ] - [ -0.0003121500000000, -0.0087815300000000, 0.0001047600000000 ] - [ -0.0003145700000000, -0.0086612900000000, -0.0001075400000000 ] - [ 0.0003084000000000, -0.0086345700000000, -0.0001752200000000 ] - [ 0.0006761500000000, 0.0087211100000000, -0.0000001800000000 ] - [ -0.0001635200000000, 0.0089821800000000, -0.0008629800000000 ] - [ -0.0003254700000000, 0.0087216300000000, 0.0000011600000000 ] - [ -0.0001633700000000, 0.0084602300000000, 0.0008664100000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0087079000000000, -0.0020133300000000 ] - [ 0.0005304500000000, 0.0073223600000000, -0.0005482500000000 ] - [ 0.0000000000000000, 0.0067776400000000, -0.0000440900000000 ] - [ -0.0005304500000000, 0.0073223600000000, -0.0005482500000000 ] - [ 0.0003058100000000, -0.0079271500000000, -0.0004908400000000 ] - [ 0.0000105300000000, -0.0069946800000000, -0.0000229900000000 ] - [ -0.0000105300000000, -0.0069946800000000, -0.0000229900000000 ] - [ -0.0003058100000000, -0.0079271500000000, -0.0004908400000000 ] - [ -0.0007966100000000, 0.0077327400000000, 0.0012543500000000 ] - [ -0.0001122300000000, 0.0065960500000000, 0.0001196300000000 ] - [ 0.0001122300000000, 0.0065960500000000, 0.0001196300000000 ] - [ 0.0007966100000000, 0.0077327400000000, 0.0012543500000000 ] - [ 0.0000000000000000, -0.0060616400000000, -0.0000514200000000 ] - [ -0.0000047700000000, -0.0062539600000000, -0.0000666400000000 ] - [ 0.0000000000000000, -0.0064295900000000, -0.0000505100000000 ] - [ 0.0000047700000000, -0.0062539600000000, -0.0000666400000000 ] - [ 0.0000000000000000, -0.0591695400000000, -0.0053088800000000 ] - [ 0.0004279300000000, -0.0031172400000000, -0.0012604500000000 ] - [ 0.0000000000000000, 0.0044890500000000, -0.0039445000000000 ] - [ -0.0004279300000000, -0.0031172400000000, -0.0012604500000000 ] - [ 0.0005889000000000, -0.0050897300000000, -0.0034328900000000 ] - [ 0.0002252600000000, -0.0052215000000000, -0.0040211300000000 ] - [ -0.0002252600000000, -0.0052215000000000, -0.0040211300000000 ] - [ -0.0005889000000000, -0.0050897300000000, -0.0034328900000000 ] - [ 0.0038280500000000, 0.0003224800000000, 0.0076330400000000 ] - [ 0.0006920600000000, -0.0049638500000000, 0.0041612800000000 ] - [ -0.0006920600000000, -0.0049638500000000, 0.0041612800000000 ] - [ -0.0038280500000000, 0.0003224800000000, 0.0076330400000000 ] - [ 0.0000000000000000, 0.0035136700000000, 0.0069272500000000 ] - [ 0.0003103600000000, 0.0049856500000000, 0.0039143200000000 ] - [ 0.0000000000000000, 0.0051751800000000, 0.0042290900000000 ] - [ -0.0003103600000000, 0.0049856500000000, 0.0039143200000000 ] - [ 0.0000958100000000, 0.0073145000000000, -0.0041215000000000 ] - [ 0.0000111700000000, 0.0062407100000000, -0.0041905900000000 ] - [ -0.0000111700000000, 0.0062407100000000, -0.0041905900000000 ] - [ -0.0000958100000000, 0.0073145000000000, -0.0041215000000000 ] - [ 0.0000000000000000, -0.0053789400000000, -0.0049988700000000 ] - [ -0.0002328700000000, -0.0054349800000000, -0.0048862500000000 ] - [ 0.0000000000000000, -0.0056132500000000, -0.0045913000000000 ] - [ 0.0002328700000000, -0.0054349800000000, -0.0048862500000000 ] - [ 0.0000000000000000, 0.0044218900000000, -0.0004714900000000 ] - [ -0.0043085500000000, -0.0018276000000000, 0.0027594400000000 ] - [ 0.0000000000000000, -0.0053055700000000, 0.0043452800000000 ] - [ 0.0043085500000000, -0.0018276000000000, 0.0027594400000000 ] - [ -0.0000611500000000, 0.0059816500000000, 0.0042085200000000 ] - [ -0.0000299700000000, 0.0057161700000000, 0.0042392800000000 ] - [ 0.0000299700000000, 0.0057161700000000, 0.0042392800000000 ] - [ 0.0000611500000000, 0.0059816500000000, 0.0042085200000000 ] - [ -0.0014199600000000, 0.0053832200000000, -0.0013948800000000 ] - [ 0.0000403300000000, 0.0070999800000000, -0.0001045800000000 ] - [ -0.0000403300000000, 0.0070999800000000, -0.0001045800000000 ] - [ 0.0014199600000000, 0.0053832200000000, -0.0013948800000000 ] - [ 0.0000000000000000, -0.0062322800000000, -0.0001034100000000 ] - [ -0.0000162000000000, -0.0072335900000000, -0.0000443800000000 ] - [ 0.0000000000000000, -0.0072549700000000, 0.0000003400000000 ] - [ 0.0000162000000000, -0.0072335900000000, -0.0000443800000000 ] - [ 0.0000000000000000, 0.0073202100000000, 0.0001410000000000 ] - [ 0.0000613900000000, 0.0072758700000000, 0.0000847900000000 ] - [ 0.0000000000000000, 0.0071987100000000, -0.0000005100000000 ] - [ -0.0000613900000000, 0.0072758700000000, 0.0000847900000000 ] - [ -0.0000084700000000, -0.0071640000000000, 0.0001374100000000 ] - [ 0.0000050200000000, -0.0070703700000000, 0.0000756000000000 ] - [ -0.0000050200000000, -0.0070703700000000, 0.0000756000000000 ] - [ 0.0000084700000000, -0.0071640000000000, 0.0001374100000000 ] - [ 0.0000000000000000, 0.0095960200000000, 0.0049309500000000 ] - [ -0.0002620900000000, 0.0090424100000000, 0.0062095100000000 ] - [ 0.0000000000000000, 0.0089739700000000, 0.0063453000000000 ] - [ 0.0002620900000000, 0.0090424100000000, 0.0062095100000000 ] - [ 0.0119376700000000, 0.0074074600000000, 0.0007732000000000 ] - [ -0.0001653800000000, -0.0084285400000000, 0.0063083000000000 ] - [ 0.0001653800000000, -0.0084285400000000, 0.0063083000000000 ] - [ -0.0119376700000000, 0.0074074600000000, 0.0007732000000000 ] - [ 0.0001593800000000, -0.0077846000000000, -0.0066844300000000 ] - [ -0.0000681800000000, -0.0087565000000000, -0.0064605300000000 ] - [ 0.0000681800000000, -0.0087565000000000, -0.0064605300000000 ] - [ -0.0001593800000000, -0.0077846000000000, -0.0066844300000000 ] - [ 0.0000000000000000, 0.0137085800000000, 0.0034804900000000 ] - [ -0.0011085200000000, 0.0094464200000000, -0.0070012000000000 ] - [ 0.0000000000000000, 0.0090514200000000, -0.0063941100000000 ] - [ 0.0011085200000000, 0.0094464200000000, -0.0070012000000000 ] - [ -0.0016974400000000, 0.0072021200000000, -0.0020877800000000 ] - [ 0.0006449800000000, 0.0010556300000000, -0.0004886100000000 ] - [ -0.0006449800000000, 0.0010556300000000, -0.0004886100000000 ] - [ 0.0016974400000000, 0.0072021200000000, -0.0020877800000000 ] - [ 0.0002636200000000, 0.0003350900000000, -0.0000426300000000 ] - [ -0.0000236100000000, 0.0003220700000000, 0.0002115600000000 ] - [ 0.0000236100000000, 0.0003220700000000, 0.0002115600000000 ] - [ -0.0002636200000000, 0.0003350900000000, -0.0000426300000000 ] - [ 0.0000000000000000, -0.0051081500000000, 0.0059333900000000 ] - [ -0.0004513900000000, -0.0073823400000000, 0.0004793700000000 ] - [ 0.0000000000000000, -0.0085449600000000, -0.0000318200000000 ] - [ 0.0004513900000000, -0.0073823400000000, 0.0004793700000000 ] - [ -0.0005585300000000, 0.0082224000000000, -0.0013000000000000 ] - [ -0.0001086300000000, 0.0086184400000000, -0.0001481300000000 ] - [ 0.0001086300000000, 0.0086184400000000, -0.0001481300000000 ] - [ 0.0005585300000000, 0.0082224000000000, -0.0013000000000000 ] - [ 0.0000994300000000, 0.0086691700000000, 0.0066860600000000 ] - [ 0.0001348100000000, 0.0087764400000000, 0.0065831900000000 ] - [ -0.0001348100000000, 0.0087764400000000, 0.0065831900000000 ] - [ -0.0000994300000000, 0.0086691700000000, 0.0066860600000000 ] - [ 0.0000000000000000, -0.0105911300000000, 0.0060038100000000 ] - [ 0.0002196300000000, -0.0099856000000000, 0.0060629400000000 ] - [ 0.0000000000000000, -0.0091432600000000, 0.0062022800000000 ] - [ -0.0002196300000000, -0.0099856000000000, 0.0060629400000000 ] - [ 0.0000000000000000, -0.0093660400000000, -0.0063502200000000 ] - [ 0.0000623300000000, -0.0091725100000000, -0.0062964200000000 ] - [ 0.0000000000000000, -0.0090009700000000, -0.0062909200000000 ] - [ -0.0000623300000000, -0.0091725100000000, -0.0062964200000000 ] - [ 0.0005163900000000, 0.0070497300000000, -0.0060220000000000 ] - [ 0.0008144900000000, 0.0082216200000000, -0.0063155800000000 ] - [ -0.0008144900000000, 0.0082216200000000, -0.0063155800000000 ] - [ -0.0005163900000000, 0.0070497300000000, -0.0060220000000000 ] - [ 0.0000000000000000, -0.0021146000000000, 0.0002750300000000 ] - [ -0.0007263400000000, -0.0014110800000000, 0.0002292800000000 ] - [ 0.0000000000000000, -0.0004546400000000, 0.0001730800000000 ] - [ 0.0007263400000000, -0.0014110800000000, 0.0002292800000000 ] - [ 0.0000000000000000, -0.0004647300000000, -0.0001353700000000 ] - [ -0.0001134900000000, -0.0003815400000000, -0.0001502300000000 ] - [ 0.0000000000000000, -0.0002359300000000, -0.0000991800000000 ] - [ 0.0001134900000000, -0.0003815400000000, -0.0001502300000000 ] - [ -0.0000073900000000, -0.0092861200000000, -0.0000655200000000 ] - [ 0.0000045400000000, -0.0090018100000000, -0.0000584900000000 ] - [ -0.0000045400000000, -0.0090018100000000, -0.0000584900000000 ] - [ 0.0000073900000000, -0.0092861200000000, -0.0000655200000000 ] - [ 0.0000000000000000, 0.0085784000000000, 0.0012293100000000 ] - [ 0.0001953600000000, 0.0086453500000000, 0.0008467300000000 ] - [ 0.0000000000000000, 0.0087646900000000, 0.0001215800000000 ] - [ -0.0001953600000000, 0.0086453500000000, 0.0008467300000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0046496600000000, 0.0019925500000000 ] - [ -0.0005278600000000, 0.0060152700000000, 0.0005500000000000 ] - [ 0.0000000000000000, 0.0065616400000000, 0.0000452100000000 ] - [ 0.0005278600000000, 0.0060152700000000, 0.0005500000000000 ] - [ -0.0003031400000000, -0.0054161400000000, 0.0004884800000000 ] - [ -0.0000056900000000, -0.0063424900000000, 0.0000227000000000 ] - [ 0.0000056900000000, -0.0063424900000000, 0.0000227000000000 ] - [ 0.0003031400000000, -0.0054161400000000, 0.0004884800000000 ] - [ 0.0008033500000000, 0.0055980600000000, -0.0012658900000000 ] - [ 0.0001120400000000, 0.0067416800000000, -0.0001190400000000 ] - [ -0.0001120400000000, 0.0067416800000000, -0.0001190400000000 ] - [ -0.0008033500000000, 0.0055980600000000, -0.0012658900000000 ] - [ 0.0000000000000000, -0.0072770700000000, 0.0000507900000000 ] - [ 0.0000057800000000, -0.0070838300000000, 0.0000660500000000 ] - [ 0.0000000000000000, -0.0069076700000000, 0.0000494900000000 ] - [ -0.0000057800000000, -0.0070838300000000, 0.0000660500000000 ] - [ 0.0000000000000000, 0.0696371300000000, -0.0033704500000000 ] - [ -0.0004482500000000, 0.0139004800000000, -0.0072607000000000 ] - [ 0.0000000000000000, 0.0062858600000000, -0.0045745400000000 ] - [ 0.0004482500000000, 0.0139004800000000, -0.0072607000000000 ] - [ -0.0005838300000000, -0.0056814100000000, -0.0050735700000000 ] - [ -0.0002225000000000, -0.0055526400000000, -0.0044943300000000 ] - [ 0.0002225000000000, -0.0055526400000000, -0.0044943300000000 ] - [ 0.0005838300000000, -0.0056814100000000, -0.0050735700000000 ] - [ -0.0037719700000000, -0.0110389400000000, 0.0009032100000000 ] - [ -0.0006887700000000, -0.0058113100000000, 0.0043528600000000 ] - [ 0.0006887700000000, -0.0058113100000000, 0.0043528600000000 ] - [ 0.0037719700000000, -0.0110389400000000, 0.0009032100000000 ] - [ 0.0000000000000000, 0.0072681400000000, 0.0016266900000000 ] - [ -0.0003118700000000, 0.0057925000000000, 0.0046061800000000 ] - [ 0.0000000000000000, 0.0056019100000000, 0.0042910600000000 ] - [ 0.0003118700000000, 0.0057925000000000, 0.0046061800000000 ] - [ -0.0000945700000000, 0.0034584700000000, -0.0043999200000000 ] - [ -0.0000108100000000, 0.0045348100000000, -0.0043297700000000 ] - [ 0.0000108100000000, 0.0045348100000000, -0.0043297700000000 ] - [ 0.0000945700000000, 0.0034584700000000, -0.0043999200000000 ] - [ 0.0000000000000000, -0.0053973800000000, -0.0035067400000000 ] - [ 0.0002318300000000, -0.0053400200000000, -0.0036248300000000 ] - [ 0.0000000000000000, -0.0051620000000000, -0.0039253900000000 ] - [ -0.0002318300000000, -0.0053400200000000, -0.0036248300000000 ] - [ 0.0000000000000000, -0.0153232100000000, 0.0090507600000000 ] - [ 0.0043249600000000, -0.0089553300000000, 0.0057568200000000 ] - [ 0.0000000000000000, -0.0054704000000000, 0.0041716600000000 ] - [ -0.0043249600000000, -0.0089553300000000, 0.0057568200000000 ] - [ 0.0000610900000000, 0.0047947900000000, 0.0043116600000000 ] - [ 0.0000302400000000, 0.0050605100000000, 0.0042813700000000 ] - [ -0.0000302400000000, 0.0050605100000000, 0.0042813700000000 ] - [ -0.0000610900000000, 0.0047947900000000, 0.0043116600000000 ] - [ 0.0014204400000000, 0.0089498000000000, 0.0013821700000000 ] - [ -0.0000405000000000, 0.0072505500000000, 0.0001069600000000 ] - [ 0.0000405000000000, 0.0072505500000000, 0.0001069600000000 ] - [ -0.0014204400000000, 0.0089498000000000, 0.0013821700000000 ] - [ 0.0000000000000000, -0.0081355900000000, 0.0000915200000000 ] - [ 0.0000153100000000, -0.0071167100000000, 0.0000424600000000 ] - [ 0.0000000000000000, -0.0070987100000000, -0.0000020200000000 ] - [ -0.0000153100000000, -0.0071167100000000, 0.0000424600000000 ] - [ 0.0000000000000000, 0.0070293400000000, -0.0001402500000000 ] - [ -0.0000606500000000, 0.0070745500000000, -0.0000833500000000 ] - [ 0.0000000000000000, 0.0071515300000000, 0.0000021600000000 ] - [ 0.0000606500000000, 0.0070745500000000, -0.0000833500000000 ] - [ 0.0000115400000000, -0.0071864500000000, -0.0001393000000000 ] - [ -0.0000025100000000, -0.0072804900000000, -0.0000771200000000 ] - [ 0.0000025100000000, -0.0072804900000000, -0.0000771200000000 ] - [ -0.0000115400000000, -0.0071864500000000, -0.0001393000000000 ] - [ 0.0000000000000000, 0.0082174700000000, 0.0078126200000000 ] - [ 0.0002570700000000, 0.0087849100000000, 0.0065508700000000 ] - [ 0.0000000000000000, 0.0088614500000000, 0.0064225600000000 ] - [ -0.0002570700000000, 0.0087849100000000, 0.0065508700000000 ] - [ -0.0114847600000000, -0.0249080000000000, 0.0118494100000000 ] - [ 0.0001639800000000, -0.0094111900000000, 0.0064636100000000 ] - [ -0.0001639800000000, -0.0094111900000000, 0.0064636100000000 ] - [ 0.0114847600000000, -0.0249080000000000, 0.0118494100000000 ] - [ -0.0001565700000000, -0.0100479000000000, -0.0060933000000000 ] - [ 0.0000671800000000, -0.0090840200000000, -0.0063113700000000 ] - [ -0.0000671800000000, -0.0090840200000000, -0.0063113700000000 ] - [ 0.0001565700000000, -0.0100479000000000, -0.0060933000000000 ] - [ 0.0000000000000000, 0.0041916800000000, -0.0160131000000000 ] - [ 0.0011002600000000, 0.0083772200000000, -0.0057611800000000 ] - [ 0.0000000000000000, 0.0087840600000000, -0.0063734400000000 ] - [ -0.0011002600000000, 0.0083772200000000, -0.0057611800000000 ] - [ 0.0019687300000000, -0.0074302000000000, 0.0022017100000000 ] - [ -0.0006474200000000, -0.0010499100000000, 0.0004865300000000 ] - [ 0.0006474200000000, -0.0010499100000000, 0.0004865300000000 ] - [ -0.0019687300000000, -0.0074302000000000, 0.0022017100000000 ] - [ -0.0002593800000000, -0.0003362600000000, 0.0000341600000000 ] - [ 0.0000240900000000, -0.0003217300000000, -0.0002122100000000 ] - [ -0.0000240900000000, -0.0003217300000000, -0.0002122100000000 ] - [ 0.0002593800000000, -0.0003362600000000, 0.0000341600000000 ] - [ 0.0000000000000000, -0.0123157700000000, -0.0059521000000000 ] - [ 0.0004468200000000, -0.0100543800000000, -0.0004744500000000 ] - [ 0.0000000000000000, -0.0088984400000000, 0.0000297000000000 ] - [ -0.0004468200000000, -0.0100543800000000, -0.0004744500000000 ] - [ 0.0005544600000000, 0.0092250400000000, 0.0012963000000000 ] - [ 0.0001089800000000, 0.0088283300000000, 0.0001499100000000 ] - [ -0.0001089800000000, 0.0088283300000000, 0.0001499100000000 ] - [ -0.0005544600000000, 0.0092250400000000, 0.0012963000000000 ] - [ -0.0001013000000000, 0.0091667900000000, 0.0060810700000000 ] - [ -0.0001341600000000, 0.0090600600000000, 0.0061857700000000 ] - [ 0.0001341600000000, 0.0090600600000000, 0.0061857700000000 ] - [ 0.0001013000000000, 0.0091667900000000, 0.0060810700000000 ] - [ 0.0000000000000000, -0.0072387200000000, 0.0067686300000000 ] - [ -0.0002212500000000, -0.0078494300000000, 0.0067106400000000 ] - [ 0.0000000000000000, -0.0086938400000000, 0.0065688000000000 ] - [ 0.0002212500000000, -0.0078494300000000, 0.0067106400000000 ] - [ 0.0000000000000000, -0.0084717600000000, -0.0064212600000000 ] - [ -0.0000624200000000, -0.0086639000000000, -0.0064766400000000 ] - [ 0.0000000000000000, -0.0088363900000000, -0.0064793400000000 ] - [ 0.0000624200000000, -0.0086639000000000, -0.0064766400000000 ] - [ -0.0005236000000000, 0.0107973500000000, -0.0067510400000000 ] - [ -0.0008124600000000, 0.0096133700000000, -0.0064531200000000 ] - [ 0.0008124600000000, 0.0096133700000000, -0.0064531200000000 ] - [ 0.0005236000000000, 0.0107973500000000, -0.0067510400000000 ] - [ 0.0000000000000000, 0.0021217300000000, -0.0002734600000000 ] - [ 0.0007246300000000, 0.0014107500000000, -0.0002296000000000 ] - [ 0.0000000000000000, 0.0004548300000000, -0.0001708600000000 ] - [ -0.0007246300000000, 0.0014107500000000, -0.0002296000000000 ] - [ 0.0000000000000000, 0.0004658500000000, 0.0001344900000000 ] - [ 0.0001135600000000, 0.0003816300000000, 0.0001485900000000 ] - [ 0.0000000000000000, 0.0002355400000000, 0.0000966600000000 ] - [ -0.0001135600000000, 0.0003816300000000, 0.0001485900000000 ] - [ 0.0000051600000000, -0.0081591000000000, 0.0000642100000000 ] - [ -0.0000038200000000, -0.0084411300000000, 0.0000561300000000 ] - [ 0.0000038200000000, -0.0084411300000000, 0.0000561300000000 ] - [ -0.0000051600000000, -0.0081591000000000, 0.0000642100000000 ] - [ 0.0000000000000000, 0.0088906200000000, -0.0012322100000000 ] - [ -0.0002031200000000, 0.0088133800000000, -0.0008444100000000 ] - [ 0.0000000000000000, 0.0086837000000000, -0.0001195900000000 ] - [ 0.0002031200000000, 0.0088133800000000, -0.0008444100000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0046049600000000, 0.0006859000000000 ] - [ -0.0004927200000000, 0.0060490000000000, 0.0000857100000000 ] - [ 0.0000000000000000, 0.0065242300000000, -0.0000741200000000 ] - [ 0.0004927200000000, 0.0060490000000000, 0.0000857100000000 ] - [ 0.0011614600000000, -0.0072615300000000, 0.0019271600000000 ] - [ 0.0001135800000000, -0.0066434100000000, 0.0001435200000000 ] - [ -0.0001135800000000, -0.0066434100000000, 0.0001435200000000 ] - [ -0.0011614600000000, -0.0072615300000000, 0.0019271600000000 ] - [ -0.0009969800000000, 0.0083756600000000, -0.0003946100000000 ] - [ -0.0000778800000000, 0.0068891200000000, -0.0001223300000000 ] - [ 0.0000778800000000, 0.0068891200000000, -0.0001223300000000 ] - [ 0.0009969800000000, 0.0083756600000000, -0.0003946100000000 ] - [ 0.0000000000000000, -0.0065164900000000, 0.0001249300000000 ] - [ 0.0000708700000000, -0.0066601400000000, 0.0000894700000000 ] - [ 0.0000000000000000, -0.0067134400000000, 0.0000709200000000 ] - [ -0.0000708700000000, -0.0066601400000000, 0.0000894700000000 ] - [ 0.0000000000000000, 0.0044331800000000, -0.0679735700000000 ] - [ 0.0002551300000000, 0.0083836700000000, -0.0074438200000000 ] - [ 0.0000000000000000, 0.0057004700000000, -0.0050559400000000 ] - [ -0.0002551300000000, 0.0083836700000000, -0.0074438200000000 ] - [ 0.0007022500000000, -0.0062038600000000, -0.0012391600000000 ] - [ -0.0000552300000000, -0.0056244000000000, -0.0038273600000000 ] - [ 0.0000552300000000, -0.0056244000000000, -0.0038273600000000 ] - [ -0.0007022500000000, -0.0062038600000000, -0.0012391600000000 ] - [ 0.0063761100000000, -0.0020014700000000, -0.0011423300000000 ] - [ 0.0003452900000000, -0.0054839200000000, 0.0040816000000000 ] - [ -0.0003452900000000, -0.0054839200000000, 0.0040816000000000 ] - [ -0.0063761100000000, -0.0020014700000000, -0.0011423300000000 ] - [ 0.0000000000000000, 0.0027467700000000, 0.0152310200000000 ] - [ -0.0014594900000000, 0.0057359800000000, 0.0055215500000000 ] - [ 0.0000000000000000, 0.0054192400000000, 0.0045356200000000 ] - [ 0.0014594900000000, 0.0057359800000000, 0.0055215500000000 ] - [ 0.0001935500000000, 0.0055305700000000, -0.0050275200000000 ] - [ 0.0002006500000000, 0.0054603500000000, -0.0045415600000000 ] - [ -0.0002006500000000, 0.0054603500000000, -0.0045415600000000 ] - [ -0.0001935500000000, 0.0055305700000000, -0.0050275200000000 ] - [ 0.0000000000000000, -0.0046388100000000, -0.0027870300000000 ] - [ -0.0003432300000000, -0.0047549300000000, -0.0034379900000000 ] - [ 0.0000000000000000, -0.0050555200000000, -0.0039066200000000 ] - [ 0.0003432300000000, -0.0047549300000000, -0.0034379900000000 ] - [ 0.0000000000000000, -0.0101482000000000, 0.0056389000000000 ] - [ 0.0020842000000000, -0.0068787400000000, 0.0051083100000000 ] - [ 0.0000000000000000, -0.0052994100000000, 0.0042969500000000 ] - [ -0.0020842000000000, -0.0068787400000000, 0.0051083100000000 ] - [ -0.0000777000000000, 0.0054406100000000, 0.0043841300000000 ] - [ -0.0000291100000000, 0.0054105500000000, 0.0042286100000000 ] - [ 0.0000291100000000, 0.0054105500000000, 0.0042286100000000 ] - [ 0.0000777000000000, 0.0054406100000000, 0.0043841300000000 ] - [ -0.0019753900000000, 0.0046175600000000, -0.0000080200000000 ] - [ -0.0002106300000000, 0.0067541100000000, 0.0000362600000000 ] - [ 0.0002106300000000, 0.0067541100000000, 0.0000362600000000 ] - [ 0.0019753900000000, 0.0046175600000000, -0.0000080200000000 ] - [ 0.0000000000000000, -0.0063593500000000, 0.0015093100000000 ] - [ 0.0002627000000000, -0.0074215600000000, 0.0000318200000000 ] - [ 0.0000000000000000, -0.0072672800000000, 0.0000055800000000 ] - [ -0.0002627000000000, -0.0074215600000000, 0.0000318200000000 ] - [ 0.0000000000000000, 0.0071332700000000, -0.0000591400000000 ] - [ -0.0000315900000000, 0.0071434700000000, -0.0000506600000000 ] - [ 0.0000000000000000, 0.0071628800000000, -0.0000127600000000 ] - [ 0.0000315900000000, 0.0071434700000000, -0.0000506600000000 ] - [ 0.0000646400000000, -0.0071613600000000, -0.0000846700000000 ] - [ 0.0000620000000000, -0.0072410000000000, -0.0000504200000000 ] - [ -0.0000620000000000, -0.0072410000000000, -0.0000504200000000 ] - [ -0.0000646400000000, -0.0071613600000000, -0.0000846700000000 ] - [ 0.0000000000000000, 0.0100075900000000, 0.0031316100000000 ] - [ 0.0000882800000000, 0.0091508700000000, 0.0057049800000000 ] - [ 0.0000000000000000, 0.0089883900000000, 0.0061724400000000 ] - [ -0.0000882800000000, 0.0091508700000000, 0.0057049800000000 ] - [ -0.0051715900000000, -0.0128091300000000, 0.0128076800000000 ] - [ -0.0000412100000000, -0.0089699700000000, 0.0068274100000000 ] - [ 0.0000412100000000, -0.0089699700000000, 0.0068274100000000 ] - [ 0.0051715900000000, -0.0128091300000000, 0.0128076800000000 ] - [ 0.0012867000000000, -0.0071182000000000, -0.0087392700000000 ] - [ 0.0002598100000000, -0.0087075800000000, -0.0065034700000000 ] - [ -0.0002598100000000, -0.0087075800000000, -0.0065034700000000 ] - [ -0.0012867000000000, -0.0071182000000000, -0.0087392700000000 ] - [ 0.0000000000000000, 0.0116570500000000, 0.0097170600000000 ] - [ -0.0006770100000000, 0.0090577300000000, -0.0056112600000000 ] - [ 0.0000000000000000, 0.0090325500000000, -0.0063027600000000 ] - [ 0.0006770100000000, 0.0090577300000000, -0.0056112600000000 ] - [ 0.0008118200000000, -0.0021717800000000, 0.0031917800000000 ] - [ -0.0003546400000000, -0.0005379600000000, 0.0003954100000000 ] - [ 0.0003546400000000, -0.0005379600000000, 0.0003954100000000 ] - [ -0.0008118200000000, -0.0021717800000000, 0.0031917800000000 ] - [ 0.0008888500000000, -0.0009329100000000, -0.0011932900000000 ] - [ 0.0002804600000000, -0.0003599300000000, -0.0002884900000000 ] - [ -0.0002804600000000, -0.0003599300000000, -0.0002884900000000 ] - [ -0.0008888500000000, -0.0009329100000000, -0.0011932900000000 ] - [ 0.0000000000000000, 0.0019527200000000, 0.0273745300000000 ] - [ 0.0006933000000000, -0.0084502000000000, 0.0006423700000000 ] - [ 0.0000000000000000, -0.0086464700000000, 0.0002061900000000 ] - [ -0.0006933000000000, -0.0084502000000000, 0.0006423700000000 ] - [ -0.0010861800000000, 0.0080813400000000, -0.0012877500000000 ] - [ -0.0001123200000000, 0.0088753000000000, -0.0002017300000000 ] - [ 0.0001123200000000, 0.0088753000000000, -0.0002017300000000 ] - [ 0.0010861800000000, 0.0080813400000000, -0.0012877500000000 ] - [ -0.0000314100000000, 0.0088160500000000, 0.0059686900000000 ] - [ -0.0000052800000000, 0.0088282700000000, 0.0061526900000000 ] - [ 0.0000052800000000, 0.0088282700000000, 0.0061526900000000 ] - [ 0.0000314100000000, 0.0088160500000000, 0.0059686900000000 ] - [ 0.0000000000000000, -0.0089283500000000, 0.0070769700000000 ] - [ -0.0000700000000000, -0.0089246100000000, 0.0068652200000000 ] - [ 0.0000000000000000, -0.0090995200000000, 0.0065451300000000 ] - [ 0.0000700000000000, -0.0089246100000000, 0.0068652200000000 ] - [ 0.0000000000000000, -0.0092295600000000, -0.0066328300000000 ] - [ 0.0000703600000000, -0.0090986100000000, -0.0065117200000000 ] - [ 0.0000000000000000, -0.0089961300000000, -0.0064187900000000 ] - [ -0.0000703600000000, -0.0090986100000000, -0.0065117200000000 ] - [ -0.0002913200000000, 0.0096279000000000, -0.0065678000000000 ] - [ -0.0003229700000000, 0.0090897800000000, -0.0063863800000000 ] - [ 0.0003229700000000, 0.0090897800000000, -0.0063863800000000 ] - [ 0.0002913200000000, 0.0096279000000000, -0.0065678000000000 ] - [ 0.0000000000000000, -0.0008018500000000, 0.0008438500000000 ] - [ -0.0007917700000000, -0.0006229000000000, 0.0006030100000000 ] - [ 0.0000000000000000, -0.0000672100000000, 0.0001130500000000 ] - [ 0.0007917700000000, -0.0006229000000000, 0.0006030100000000 ] - [ 0.0000000000000000, 0.0001463000000000, -0.0002662500000000 ] - [ -0.0000076100000000, 0.0001016100000000, -0.0002673000000000 ] - [ 0.0000000000000000, 0.0000393200000000, -0.0000540500000000 ] - [ 0.0000076100000000, 0.0001016100000000, -0.0002673000000000 ] - [ 0.0000374900000000, -0.0084882600000000, 0.0002666200000000 ] - [ -0.0000075100000000, -0.0086054000000000, 0.0001915900000000 ] - [ 0.0000075100000000, -0.0086054000000000, 0.0001915900000000 ] - [ -0.0000374900000000, -0.0084882600000000, 0.0002666200000000 ] - [ 0.0000000000000000, 0.0091430500000000, -0.0010187100000000 ] - [ -0.0002218400000000, 0.0088957600000000, -0.0005882400000000 ] - [ 0.0000000000000000, 0.0087125800000000, -0.0001943000000000 ] - [ 0.0002218400000000, 0.0088957600000000, -0.0005882400000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0087431100000000, -0.0006870300000000 ] - [ 0.0004931300000000, 0.0072902700000000, -0.0000837500000000 ] - [ 0.0000000000000000, 0.0068135300000000, 0.0000752300000000 ] - [ -0.0004931300000000, 0.0072902700000000, -0.0000837500000000 ] - [ -0.0011485400000000, -0.0060798300000000, -0.0019076700000000 ] - [ -0.0001133100000000, -0.0066940800000000, -0.0001443100000000 ] - [ 0.0001133100000000, -0.0066940800000000, -0.0001443100000000 ] - [ 0.0011485400000000, -0.0060798300000000, -0.0019076700000000 ] - [ 0.0010004500000000, 0.0049546500000000, 0.0003945100000000 ] - [ 0.0000784300000000, 0.0064475300000000, 0.0001236200000000 ] - [ -0.0000784300000000, 0.0064475300000000, 0.0001236200000000 ] - [ -0.0010004500000000, 0.0049546500000000, 0.0003945100000000 ] - [ 0.0000000000000000, -0.0068209400000000, -0.0001256300000000 ] - [ -0.0000712300000000, -0.0066762400000000, -0.0000901000000000 ] - [ 0.0000000000000000, -0.0066233200000000, -0.0000715300000000 ] - [ 0.0000712300000000, -0.0066762400000000, -0.0000901000000000 ] - [ 0.0000000000000000, 0.0063871600000000, 0.0603861900000000 ] - [ -0.0002965000000000, 0.0023817400000000, -0.0010711700000000 ] - [ 0.0000000000000000, 0.0050714000000000, -0.0034603500000000 ] - [ 0.0002965000000000, 0.0023817400000000, -0.0010711700000000 ] - [ -0.0006963000000000, -0.0045676200000000, -0.0072808700000000 ] - [ 0.0000562400000000, -0.0051535400000000, -0.0046931500000000 ] - [ -0.0000562400000000, -0.0051535400000000, -0.0046931500000000 ] - [ 0.0006963000000000, -0.0045676200000000, -0.0072808700000000 ] - [ -0.0063380100000000, -0.0087353200000000, 0.0096555300000000 ] - [ -0.0003427500000000, -0.0052946400000000, 0.0044379900000000 ] - [ 0.0003427500000000, -0.0052946400000000, 0.0044379900000000 ] - [ 0.0063380100000000, -0.0087353200000000, 0.0096555300000000 ] - [ 0.0000000000000000, 0.0080425100000000, -0.0067495800000000 ] - [ 0.0014597500000000, 0.0050422900000000, 0.0029956100000000 ] - [ 0.0000000000000000, 0.0053583300000000, 0.0039837600000000 ] - [ -0.0014597500000000, 0.0050422900000000, 0.0029956100000000 ] - [ -0.0001929800000000, 0.0052519700000000, -0.0034926400000000 ] - [ -0.0001987900000000, 0.0053209200000000, -0.0039794700000000 ] - [ 0.0001987900000000, 0.0053209200000000, -0.0039794700000000 ] - [ 0.0001929800000000, 0.0052519700000000, -0.0034926400000000 ] - [ 0.0000000000000000, -0.0061402300000000, -0.0057315100000000 ] - [ 0.0003434600000000, -0.0060225200000000, -0.0050839300000000 ] - [ 0.0000000000000000, -0.0057233800000000, -0.0046146100000000 ] - [ -0.0003434600000000, -0.0060225200000000, -0.0050839300000000 ] - [ 0.0000000000000000, -0.0006359000000000, 0.0028656600000000 ] - [ -0.0020941100000000, -0.0038874800000000, 0.0034040300000000 ] - [ 0.0000000000000000, -0.0054748300000000, 0.0042218300000000 ] - [ 0.0020941100000000, -0.0038874800000000, 0.0034040300000000 ] - [ 0.0000782400000000, 0.0053373400000000, 0.0041370600000000 ] - [ 0.0000305200000000, 0.0053682600000000, 0.0042928800000000 ] - [ -0.0000305200000000, 0.0053682600000000, 0.0042928800000000 ] - [ -0.0000782400000000, 0.0053373400000000, 0.0041370600000000 ] - [ 0.0020513000000000, 0.0097670300000000, -0.0000539700000000 ] - [ 0.0002125400000000, 0.0075972300000000, -0.0000348600000000 ] - [ -0.0002125400000000, 0.0075972300000000, -0.0000348600000000 ] - [ -0.0020513000000000, 0.0097670300000000, -0.0000539700000000 ] - [ 0.0000000000000000, -0.0080106600000000, -0.0015492400000000 ] - [ -0.0002624200000000, -0.0069290600000000, -0.0000321400000000 ] - [ 0.0000000000000000, -0.0070833800000000, -0.0000073200000000 ] - [ 0.0002624200000000, -0.0069290600000000, -0.0000321400000000 ] - [ 0.0000000000000000, 0.0072168700000000, 0.0000609700000000 ] - [ 0.0000324300000000, 0.0072066000000000, 0.0000524300000000 ] - [ 0.0000000000000000, 0.0071845500000000, 0.0000142000000000 ] - [ -0.0000324300000000, 0.0072066000000000, 0.0000524300000000 ] - [ -0.0000647900000000, -0.0071865900000000, 0.0000834300000000 ] - [ -0.0000603500000000, -0.0071089500000000, 0.0000492900000000 ] - [ 0.0000603500000000, -0.0071089500000000, 0.0000492900000000 ] - [ 0.0000647900000000, -0.0071865900000000, 0.0000834300000000 ] - [ 0.0000000000000000, 0.0078153800000000, 0.0096231800000000 ] - [ -0.0000881300000000, 0.0086855000000000, 0.0070678500000000 ] - [ 0.0000000000000000, 0.0088486200000000, 0.0066024200000000 ] - [ 0.0000881300000000, 0.0086855000000000, 0.0070678500000000 ] - [ 0.0051102700000000, -0.0050832200000000, -0.0000132100000000 ] - [ 0.0000429200000000, -0.0088635500000000, 0.0059463800000000 ] - [ -0.0000429200000000, -0.0088635500000000, 0.0059463800000000 ] - [ -0.0051102700000000, -0.0050832200000000, -0.0000132100000000 ] - [ -0.0012916400000000, -0.0107268600000000, -0.0040417000000000 ] - [ -0.0002605300000000, -0.0091303400000000, -0.0062714400000000 ] - [ 0.0002605300000000, -0.0091303400000000, -0.0062714400000000 ] - [ 0.0012916400000000, -0.0107268600000000, -0.0040417000000000 ] - [ 0.0000000000000000, 0.0066472400000000, -0.0217625700000000 ] - [ 0.0006703400000000, 0.0087803300000000, -0.0071588600000000 ] - [ 0.0000000000000000, 0.0088051200000000, -0.0064716300000000 ] - [ -0.0006703400000000, 0.0087803300000000, -0.0071588600000000 ] - [ -0.0007889200000000, 0.0021579000000000, -0.0032107200000000 ] - [ 0.0003623700000000, 0.0005395000000000, -0.0003957100000000 ] - [ -0.0003623700000000, 0.0005395000000000, -0.0003957100000000 ] - [ 0.0007889200000000, 0.0021579000000000, -0.0032107200000000 ] - [ -0.0008887000000000, 0.0009349000000000, 0.0011943500000000 ] - [ -0.0002808000000000, 0.0003608300000000, 0.0002889700000000 ] - [ 0.0002808000000000, 0.0003608300000000, 0.0002889700000000 ] - [ 0.0008887000000000, 0.0009349000000000, 0.0011943500000000 ] - [ 0.0000000000000000, -0.0198657200000000, -0.0288237800000000 ] - [ -0.0007012700000000, -0.0089977900000000, -0.0006516000000000 ] - [ 0.0000000000000000, -0.0087989000000000, -0.0002092900000000 ] - [ 0.0007012700000000, -0.0089977900000000, -0.0006516000000000 ] - [ 0.0010845400000000, 0.0093666200000000, 0.0012933700000000 ] - [ 0.0001109100000000, 0.0085700100000000, 0.0002041000000000 ] - [ -0.0001109100000000, 0.0085700100000000, 0.0002041000000000 ] - [ -0.0010845400000000, 0.0093666200000000, 0.0012933700000000 ] - [ 0.0000304300000000, 0.0090214900000000, 0.0068052200000000 ] - [ 0.0000054200000000, 0.0090089000000000, 0.0066214900000000 ] - [ -0.0000054200000000, 0.0090089000000000, 0.0066214900000000 ] - [ -0.0000304300000000, 0.0090214900000000, 0.0068052200000000 ] - [ 0.0000000000000000, -0.0089097500000000, 0.0056966300000000 ] - [ 0.0000698400000000, -0.0089157800000000, 0.0059081800000000 ] - [ 0.0000000000000000, -0.0087389500000000, 0.0062297100000000 ] - [ -0.0000698400000000, -0.0089157800000000, 0.0059081800000000 ] - [ 0.0000000000000000, -0.0086051100000000, -0.0061420100000000 ] - [ -0.0000712600000000, -0.0087371300000000, -0.0062620700000000 ] - [ 0.0000000000000000, -0.0088407200000000, -0.0063559100000000 ] - [ 0.0000712600000000, -0.0087371300000000, -0.0062620700000000 ] - [ 0.0002907900000000, 0.0082047000000000, -0.0062056000000000 ] - [ 0.0003240200000000, 0.0087454300000000, -0.0063869000000000 ] - [ -0.0003240200000000, 0.0087454300000000, -0.0063869000000000 ] - [ -0.0002907900000000, 0.0082047000000000, -0.0062056000000000 ] - [ 0.0000000000000000, 0.0007932100000000, -0.0008380300000000 ] - [ 0.0007845800000000, 0.0006133600000000, -0.0005998900000000 ] - [ 0.0000000000000000, 0.0000659600000000, -0.0001123600000000 ] - [ -0.0007845800000000, 0.0006133600000000, -0.0005998900000000 ] - [ 0.0000000000000000, -0.0001474000000000, 0.0002655500000000 ] - [ 0.0000071000000000, -0.0001026700000000, 0.0002674500000000 ] - [ 0.0000000000000000, -0.0000401800000000, 0.0000535700000000 ] - [ -0.0000071000000000, -0.0001026700000000, 0.0002674500000000 ] - [ -0.0000369100000000, -0.0089582000000000, -0.0002696700000000 ] - [ 0.0000076900000000, -0.0088419600000000, -0.0001942100000000 ] - [ -0.0000076900000000, -0.0088419600000000, -0.0001942100000000 ] - [ 0.0000369100000000, -0.0089582000000000, -0.0002696700000000 ] - [ 0.0000000000000000, 0.0083081200000000, 0.0010204600000000 ] - [ 0.0002218700000000, 0.0085511200000000, 0.0005934100000000 ] - [ 0.0000000000000000, 0.0087322100000000, 0.0001979200000000 ] - [ -0.0002218700000000, 0.0085511200000000, 0.0005934100000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003458700000000, 0.0058044900000000, 0.0000000000000000 ] - [ 0.0003557800000000, 0.0075451700000000, 0.0000000000000000 ] - [ 0.0000433000000000, 0.0067060700000000, 0.0000000000000000 ] - [ 0.0000425900000000, 0.0066287500000000, 0.0000000000000000 ] - [ 0.0000229800000000, -0.0066696500000000, 0.0000000000000000 ] - [ -0.0000256000000000, -0.0066260100000000, 0.0000000000000000 ] - [ 0.0000117900000000, -0.0066686600000000, 0.0000000000000000 ] - [ -0.0000268300000000, -0.0067127600000000, 0.0000000000000000 ] - [ -0.0008090000000000, 0.0066620000000000, 0.0000000000000000 ] - [ -0.0001165900000000, 0.0065899200000000, 0.0000000000000000 ] - [ 0.0000853900000000, 0.0066693700000000, 0.0000000000000000 ] - [ -0.0001152700000000, 0.0067513600000000, 0.0000000000000000 ] - [ -0.0000123700000000, -0.0066642000000000, 0.0000000000000000 ] - [ -0.0000128500000000, -0.0066717500000000, 0.0000000000000000 ] - [ 0.0000066500000000, -0.0066698400000000, 0.0000000000000000 ] - [ 0.0000070100000000, -0.0066668800000000, 0.0000000000000000 ] - [ -0.0011478300000000, 0.0039584100000000, -0.0062595100000000 ] - [ -0.0010901500000000, 0.0067995300000000, -0.0022331600000000 ] - [ 0.0002307600000000, 0.0053491800000000, -0.0040537300000000 ] - [ 0.0002318400000000, 0.0054305700000000, -0.0044772600000000 ] - [ 0.0006747900000000, -0.0053875800000000, -0.0042738400000000 ] - [ -0.0002097300000000, -0.0054067100000000, -0.0045233800000000 ] - [ 0.0000636000000000, -0.0053911600000000, -0.0042626000000000 ] - [ -0.0002155400000000, -0.0053754200000000, -0.0039971400000000 ] - [ 0.0006747900000000, -0.0053875800000000, 0.0042738400000000 ] - [ -0.0002097300000000, -0.0054067100000000, 0.0045233800000000 ] - [ 0.0000636000000000, -0.0053911600000000, 0.0042626000000000 ] - [ -0.0002155400000000, -0.0053754200000000, 0.0039971400000000 ] - [ -0.0011478300000000, 0.0039584100000000, 0.0062595100000000 ] - [ -0.0010901500000000, 0.0067995300000000, 0.0022331600000000 ] - [ 0.0002307600000000, 0.0053491800000000, 0.0040537300000000 ] - [ 0.0002318400000000, 0.0054305700000000, 0.0044772600000000 ] - [ -0.0001408000000000, 0.0053916800000000, -0.0042633800000000 ] - [ -0.0000176100000000, 0.0053303600000000, -0.0042314100000000 ] - [ 0.0000949000000000, 0.0053907800000000, -0.0042628800000000 ] - [ -0.0000194600000000, 0.0054521500000000, -0.0042951800000000 ] - [ -0.0000746000000000, -0.0053792300000000, -0.0042000700000000 ] - [ -0.0000723600000000, -0.0054016000000000, -0.0043291800000000 ] - [ 0.0000776000000000, -0.0053872400000000, -0.0043242200000000 ] - [ 0.0000781000000000, -0.0053918500000000, -0.0042020500000000 ] - [ -0.0000746000000000, -0.0053792300000000, 0.0042000700000000 ] - [ -0.0000723600000000, -0.0054016000000000, 0.0043291800000000 ] - [ 0.0000776000000000, -0.0053872400000000, 0.0043242200000000 ] - [ 0.0000781000000000, -0.0053918500000000, 0.0042020500000000 ] - [ -0.0001408000000000, 0.0053916800000000, 0.0042633800000000 ] - [ -0.0000176100000000, 0.0053303600000000, 0.0042314100000000 ] - [ 0.0000949000000000, 0.0053907800000000, 0.0042628800000000 ] - [ -0.0000194600000000, 0.0054521500000000, 0.0042951800000000 ] - [ -0.0324016600000000, 0.0079347300000000, 0.0000000000000000 ] - [ 0.0012762700000000, 0.0077829200000000, 0.0000000000000000 ] - [ 0.0002830200000000, 0.0071711300000000, 0.0000000000000000 ] - [ 0.0012626900000000, 0.0065542600000000, 0.0000000000000000 ] - [ 0.0001949000000000, -0.0071214700000000, 0.0000000000000000 ] - [ 0.0001936600000000, -0.0072265500000000, 0.0000000000000000 ] - [ -0.0000286900000000, -0.0071475100000000, 0.0000000000000000 ] - [ -0.0000301200000000, -0.0071997100000000, 0.0000000000000000 ] - [ -0.0000061800000000, 0.0071910000000000, 0.0000000000000000 ] - [ -0.0000054700000000, 0.0071586200000000, 0.0000000000000000 ] - [ 0.0000024700000000, 0.0071591800000000, 0.0000000000000000 ] - [ 0.0000025000000000, 0.0071869700000000, 0.0000000000000000 ] - [ -0.0000040000000000, -0.0071745700000000, 0.0000000000000000 ] - [ -0.0000010600000000, -0.0071624500000000, 0.0000000000000000 ] - [ 0.0000030600000000, -0.0071739400000000, 0.0000000000000000 ] - [ -0.0000006300000000, -0.0071842200000000, 0.0000000000000000 ] - [ 0.0003140000000000, 0.0088486800000000, 0.0066832400000000 ] - [ 0.0003052100000000, 0.0089925000000000, 0.0060974400000000 ] - [ -0.0000199300000000, 0.0088761400000000, 0.0064615300000000 ] - [ -0.0000189400000000, 0.0089649100000000, 0.0063114600000000 ] - [ -0.0002081500000000, -0.0089620500000000, 0.0063162300000000 ] - [ -0.0002669100000000, -0.0089618200000000, 0.0059833300000000 ] - [ -0.0001952500000000, -0.0089191000000000, 0.0063871200000000 ] - [ -0.0002700700000000, -0.0088722000000000, 0.0067973700000000 ] - [ -0.0002081500000000, -0.0089620500000000, -0.0063162300000000 ] - [ -0.0002669100000000, -0.0089618200000000, -0.0059833300000000 ] - [ -0.0001952500000000, -0.0089191000000000, -0.0063871200000000 ] - [ -0.0002700700000000, -0.0088722000000000, -0.0067973700000000 ] - [ 0.0003140000000000, 0.0088486800000000, -0.0066832400000000 ] - [ 0.0003052100000000, 0.0089925000000000, -0.0060974400000000 ] - [ -0.0000199300000000, 0.0088761400000000, -0.0064615300000000 ] - [ -0.0000189400000000, 0.0089649100000000, -0.0063114600000000 ] - [ 0.0001644800000000, 0.0000013400000000, -0.0000011900000000 ] - [ -0.0000148600000000, -0.0000472500000000, -0.0001757500000000 ] - [ -0.0001433300000000, -0.0000005400000000, 0.0000002700000000 ] - [ -0.0000134000000000, 0.0000449800000000, 0.0001767300000000 ] - [ 0.0001644800000000, 0.0000013400000000, 0.0000011900000000 ] - [ -0.0000148600000000, -0.0000472500000000, 0.0001757500000000 ] - [ -0.0001433300000000, -0.0000005400000000, -0.0000002700000000 ] - [ -0.0000134000000000, 0.0000449800000000, -0.0001767300000000 ] - [ 0.0166260300000000, 0.0032251600000000, 0.0000000000000000 ] - [ 0.0175976900000000, -0.0213166300000000, 0.0000000000000000 ] - [ -0.0004594200000000, -0.0088044700000000, 0.0000000000000000 ] - [ -0.0004709600000000, -0.0086426200000000, 0.0000000000000000 ] - [ -0.0001350300000000, 0.0087282700000000, 0.0000000000000000 ] - [ 0.0000374600000000, 0.0087699200000000, 0.0000000000000000 ] - [ -0.0000384200000000, 0.0087235600000000, 0.0000000000000000 ] - [ 0.0000364600000000, 0.0086766200000000, 0.0000000000000000 ] - [ 0.0000442100000000, 0.0089205200000000, 0.0063858400000000 ] - [ -0.0000096700000000, 0.0089125600000000, 0.0063954500000000 ] - [ -0.0000786100000000, 0.0089193300000000, 0.0063866700000000 ] - [ -0.0000093000000000, 0.0089271800000000, 0.0063768500000000 ] - [ 0.0000750700000000, -0.0090081900000000, 0.0064355400000000 ] - [ 0.0000740900000000, -0.0088313100000000, 0.0063383900000000 ] - [ -0.0000613300000000, -0.0088477100000000, 0.0063149900000000 ] - [ -0.0000612500000000, -0.0089902400000000, 0.0064630100000000 ] - [ 0.0000750700000000, -0.0090081900000000, -0.0064355400000000 ] - [ 0.0000740900000000, -0.0088313100000000, -0.0063383900000000 ] - [ -0.0000613300000000, -0.0088477100000000, -0.0063149900000000 ] - [ -0.0000612500000000, -0.0089902400000000, -0.0064630100000000 ] - [ 0.0000442100000000, 0.0089205200000000, -0.0063858400000000 ] - [ -0.0000096700000000, 0.0089125600000000, -0.0063954500000000 ] - [ -0.0000786100000000, 0.0089193300000000, -0.0063866700000000 ] - [ -0.0000093000000000, 0.0089271800000000, -0.0063768500000000 ] - [ 0.0000375000000000, 0.0000189300000000, 0.0000283900000000 ] - [ 0.0000349400000000, -0.0000208400000000, -0.0000292500000000 ] - [ -0.0000135000000000, 0.0000007600000000, -0.0000137000000000 ] - [ -0.0000121300000000, -0.0000002500000000, 0.0000141700000000 ] - [ 0.0000375000000000, 0.0000189300000000, -0.0000283900000000 ] - [ 0.0000349400000000, -0.0000208400000000, 0.0000292500000000 ] - [ -0.0000135000000000, 0.0000007600000000, 0.0000137000000000 ] - [ -0.0000121300000000, -0.0000002500000000, -0.0000141700000000 ] - [ 0.0000496300000000, -0.0087247200000000, 0.0000000000000000 ] - [ 0.0000051100000000, -0.0087059400000000, 0.0000000000000000 ] - [ -0.0000396700000000, -0.0087263300000000, 0.0000000000000000 ] - [ 0.0000090500000000, -0.0087448900000000, 0.0000000000000000 ] - [ 0.0000160300000000, 0.0087250800000000, 0.0000000000000000 ] - [ 0.0000148200000000, 0.0087191800000000, 0.0000000000000000 ] - [ -0.0000134200000000, 0.0087085000000000, 0.0000000000000000 ] - [ -0.0000117000000000, 0.0087371200000000, 0.0000000000000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007184900000000, 0.0076490400000000, 0.0000000000000000 ] - [ 0.0007184900000000, 0.0076490400000000, 0.0000000000000000 ] - [ 0.0000130000000000, 0.0065740500000000, 0.0000000000000000 ] - [ -0.0000130000000000, 0.0065740500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0067667300000000, 0.0000000000000000 ] - [ 0.0000580700000000, -0.0067248800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0066804800000000, 0.0000000000000000 ] - [ -0.0000580700000000, -0.0067248800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0076130600000000, 0.0000000000000000 ] - [ -0.0000744700000000, 0.0069632100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0067676600000000, 0.0000000000000000 ] - [ 0.0000744700000000, 0.0069632100000000, 0.0000000000000000 ] - [ -0.0000311400000000, -0.0065878100000000, 0.0000000000000000 ] - [ 0.0000311400000000, -0.0065878100000000, 0.0000000000000000 ] - [ 0.0000090500000000, -0.0066622400000000, 0.0000000000000000 ] - [ -0.0000090500000000, -0.0066622400000000, 0.0000000000000000 ] - [ -0.0015687900000000, 0.0036016100000000, -0.0068235400000000 ] - [ 0.0015687900000000, 0.0036016100000000, -0.0068235400000000 ] - [ 0.0000007800000000, 0.0053115200000000, -0.0046803100000000 ] - [ -0.0000007800000000, 0.0053115200000000, -0.0046803100000000 ] - [ 0.0000000000000000, -0.0044267600000000, -0.0050791300000000 ] - [ 0.0002976000000000, -0.0054441600000000, -0.0040102700000000 ] - [ 0.0000000000000000, -0.0054677300000000, -0.0041649800000000 ] - [ -0.0002976000000000, -0.0054441600000000, -0.0040102700000000 ] - [ 0.0000000000000000, -0.0044267600000000, 0.0050791300000000 ] - [ 0.0002976000000000, -0.0054441600000000, 0.0040102700000000 ] - [ 0.0000000000000000, -0.0054677300000000, 0.0041649800000000 ] - [ -0.0002976000000000, -0.0054441600000000, 0.0040102700000000 ] - [ -0.0015687900000000, 0.0036016100000000, 0.0068235400000000 ] - [ 0.0015687900000000, 0.0036016100000000, 0.0068235400000000 ] - [ 0.0000007800000000, 0.0053115200000000, 0.0046803100000000 ] - [ -0.0000007800000000, 0.0053115200000000, 0.0046803100000000 ] - [ 0.0000000000000000, 0.0055306800000000, -0.0043003300000000 ] - [ 0.0001368800000000, 0.0054858400000000, -0.0042911400000000 ] - [ 0.0000000000000000, 0.0054101100000000, -0.0042692700000000 ] - [ -0.0001368800000000, 0.0054858400000000, -0.0042911400000000 ] - [ -0.0001773300000000, -0.0053791300000000, -0.0042661700000000 ] - [ 0.0001773300000000, -0.0053791300000000, -0.0042661700000000 ] - [ 0.0000065900000000, -0.0052822400000000, -0.0041926500000000 ] - [ -0.0000065900000000, -0.0052822400000000, -0.0041926500000000 ] - [ -0.0001773300000000, -0.0053791300000000, 0.0042661700000000 ] - [ 0.0001773300000000, -0.0053791300000000, 0.0042661700000000 ] - [ 0.0000065900000000, -0.0052822400000000, 0.0041926500000000 ] - [ -0.0000065900000000, -0.0052822400000000, 0.0041926500000000 ] - [ 0.0000000000000000, 0.0055306800000000, 0.0043003300000000 ] - [ 0.0001368800000000, 0.0054858400000000, 0.0042911400000000 ] - [ 0.0000000000000000, 0.0054101100000000, 0.0042692700000000 ] - [ -0.0001368800000000, 0.0054858400000000, 0.0042911400000000 ] - [ 0.0000000000000000, -0.0273244000000000, 0.0000000000000000 ] - [ -0.0006138800000000, 0.0058356700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0068631700000000, 0.0000000000000000 ] - [ 0.0006138800000000, 0.0058356700000000, 0.0000000000000000 ] - [ 0.0000539800000000, -0.0070831700000000, 0.0000000000000000 ] - [ -0.0000539800000000, -0.0070831700000000, 0.0000000000000000 ] - [ 0.0000250000000000, -0.0072192200000000, 0.0000000000000000 ] - [ -0.0000250000000000, -0.0072192200000000, 0.0000000000000000 ] - [ -0.0000182200000000, 0.0071728200000000, 0.0000000000000000 ] - [ 0.0000182200000000, 0.0071728200000000, 0.0000000000000000 ] - [ 0.0000135300000000, 0.0071830400000000, 0.0000000000000000 ] - [ -0.0000135300000000, 0.0071830400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0071332700000000, 0.0000000000000000 ] - [ 0.0000140500000000, -0.0071833100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0071699000000000, 0.0000000000000000 ] - [ -0.0000140500000000, -0.0071833100000000, 0.0000000000000000 ] - [ 0.0003741400000000, 0.0090485600000000, 0.0064515300000000 ] - [ -0.0003741400000000, 0.0090485600000000, 0.0064515300000000 ] - [ -0.0000570100000000, 0.0090022600000000, 0.0062902600000000 ] - [ 0.0000570100000000, 0.0090022600000000, 0.0062902600000000 ] - [ 0.0000000000000000, 0.0004025600000000, 0.0159773700000000 ] - [ -0.0001116100000000, -0.0086557500000000, 0.0065840400000000 ] - [ 0.0000000000000000, -0.0088228800000000, 0.0064942200000000 ] - [ 0.0001116100000000, -0.0086557500000000, 0.0065840400000000 ] - [ 0.0000000000000000, 0.0004025600000000, -0.0159773700000000 ] - [ -0.0001116100000000, -0.0086557500000000, -0.0065840400000000 ] - [ 0.0000000000000000, -0.0088228800000000, -0.0064942200000000 ] - [ 0.0001116100000000, -0.0086557500000000, -0.0065840400000000 ] - [ 0.0003741400000000, 0.0090485600000000, -0.0064515300000000 ] - [ -0.0003741400000000, 0.0090485600000000, -0.0064515300000000 ] - [ -0.0000570100000000, 0.0090022600000000, -0.0062902600000000 ] - [ 0.0000570100000000, 0.0090022600000000, -0.0062902600000000 ] - [ 0.0000000000000000, 0.0003588500000000, -0.0001934300000000 ] - [ -0.0000850500000000, -0.0000445100000000, 0.0003019500000000 ] - [ 0.0000000000000000, -0.0000736500000000, 0.0000818900000000 ] - [ 0.0000850500000000, -0.0000445100000000, 0.0003019500000000 ] - [ 0.0000000000000000, 0.0003588500000000, 0.0001934300000000 ] - [ -0.0000850500000000, -0.0000445100000000, -0.0003019500000000 ] - [ 0.0000000000000000, -0.0000736500000000, -0.0000818900000000 ] - [ 0.0000850500000000, -0.0000445100000000, -0.0003019500000000 ] - [ 0.0084214500000000, 0.0008325600000000, 0.0000000000000000 ] - [ -0.0084214500000000, 0.0008325600000000, 0.0000000000000000 ] - [ 0.0005112400000000, -0.0084981400000000, 0.0000000000000000 ] - [ -0.0005112400000000, -0.0084981400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0084522300000000, 0.0000000000000000 ] - [ -0.0001255700000000, 0.0086538600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0087588600000000, 0.0000000000000000 ] - [ 0.0001255700000000, 0.0086538600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0088878700000000, 0.0063777400000000 ] - [ -0.0000380200000000, 0.0089014400000000, 0.0063920100000000 ] - [ 0.0000000000000000, 0.0088821600000000, 0.0063644900000000 ] - [ 0.0000380200000000, 0.0089014400000000, 0.0063920100000000 ] - [ 0.0000520800000000, -0.0090096200000000, 0.0064126100000000 ] - [ -0.0000520800000000, -0.0090096200000000, 0.0064126100000000 ] - [ -0.0000271700000000, -0.0089960200000000, 0.0064174300000000 ] - [ 0.0000271700000000, -0.0089960200000000, 0.0064174300000000 ] - [ 0.0000520800000000, -0.0090096200000000, -0.0064126100000000 ] - [ -0.0000520800000000, -0.0090096200000000, -0.0064126100000000 ] - [ -0.0000271700000000, -0.0089960200000000, -0.0064174300000000 ] - [ 0.0000271700000000, -0.0089960200000000, -0.0064174300000000 ] - [ 0.0000000000000000, 0.0088878700000000, -0.0063777400000000 ] - [ -0.0000380200000000, 0.0089014400000000, -0.0063920100000000 ] - [ 0.0000000000000000, 0.0088821600000000, -0.0063644900000000 ] - [ 0.0000380200000000, 0.0089014400000000, -0.0063920100000000 ] - [ 0.0002151500000000, -0.0001678700000000, 0.0000597500000000 ] - [ -0.0002151500000000, -0.0001678700000000, 0.0000597500000000 ] - [ -0.0000749500000000, 0.0000171600000000, 0.0000257100000000 ] - [ 0.0000749500000000, 0.0000171600000000, 0.0000257100000000 ] - [ 0.0002151500000000, -0.0001678700000000, -0.0000597500000000 ] - [ -0.0002151500000000, -0.0001678700000000, -0.0000597500000000 ] - [ -0.0000749500000000, 0.0000171600000000, -0.0000257100000000 ] - [ 0.0000749500000000, 0.0000171600000000, -0.0000257100000000 ] - [ 0.0000000000000000, -0.0088040400000000, 0.0000000000000000 ] - [ -0.0000343900000000, -0.0087390900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0087156000000000, 0.0000000000000000 ] - [ 0.0000343900000000, -0.0087390900000000, 0.0000000000000000 ] - [ 0.0000402900000000, 0.0087315700000000, 0.0000000000000000 ] - [ -0.0000402900000000, 0.0087315700000000, 0.0000000000000000 ] - [ -0.0000248000000000, 0.0087124200000000, 0.0000000000000000 ] - [ 0.0000248000000000, 0.0087124200000000, 0.0000000000000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007034800000000, 0.0057092900000000, 0.0000000000000000 ] - [ -0.0007034800000000, 0.0057092900000000, 0.0000000000000000 ] - [ -0.0000133400000000, 0.0067605700000000, 0.0000000000000000 ] - [ 0.0000133400000000, 0.0067605700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0065880800000000, 0.0000000000000000 ] - [ -0.0000496900000000, -0.0066175900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0066600900000000, 0.0000000000000000 ] - [ 0.0000496900000000, -0.0066175900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0056648100000000, 0.0000000000000000 ] - [ 0.0000794000000000, 0.0063656800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0065650600000000, 0.0000000000000000 ] - [ -0.0000794000000000, 0.0063656800000000, 0.0000000000000000 ] - [ 0.0000380000000000, -0.0067550300000000, 0.0000000000000000 ] - [ -0.0000380000000000, -0.0067550300000000, 0.0000000000000000 ] - [ -0.0000144100000000, -0.0066862100000000, 0.0000000000000000 ] - [ 0.0000144100000000, -0.0066862100000000, 0.0000000000000000 ] - [ 0.0015444700000000, 0.0071673800000000, -0.0016709500000000 ] - [ -0.0015444700000000, 0.0071673800000000, -0.0016709500000000 ] - [ -0.0000000400000000, 0.0054607000000000, -0.0038363300000000 ] - [ 0.0000000400000000, 0.0054607000000000, -0.0038363300000000 ] - [ 0.0000000000000000, -0.0063334200000000, -0.0034276000000000 ] - [ -0.0002937700000000, -0.0053288500000000, -0.0045001800000000 ] - [ 0.0000000000000000, -0.0053123200000000, -0.0043430600000000 ] - [ 0.0002937700000000, -0.0053288500000000, -0.0045001800000000 ] - [ 0.0000000000000000, -0.0063334200000000, 0.0034276000000000 ] - [ -0.0002937700000000, -0.0053288500000000, 0.0045001800000000 ] - [ 0.0000000000000000, -0.0053123200000000, 0.0043430600000000 ] - [ 0.0002937700000000, -0.0053288500000000, 0.0045001800000000 ] - [ 0.0015444700000000, 0.0071673800000000, 0.0016709500000000 ] - [ -0.0015444700000000, 0.0071673800000000, 0.0016709500000000 ] - [ -0.0000000400000000, 0.0054607000000000, 0.0038363300000000 ] - [ 0.0000000400000000, 0.0054607000000000, 0.0038363300000000 ] - [ 0.0000000000000000, 0.0052383700000000, -0.0042157500000000 ] - [ -0.0001404600000000, 0.0052831000000000, -0.0042285700000000 ] - [ 0.0000000000000000, 0.0053589500000000, -0.0042523800000000 ] - [ 0.0001404600000000, 0.0052831000000000, -0.0042285700000000 ] - [ 0.0001798300000000, -0.0054006900000000, -0.0042439200000000 ] - [ -0.0001798300000000, -0.0054006900000000, -0.0042439200000000 ] - [ -0.0000086900000000, -0.0054905200000000, -0.0043201200000000 ] - [ 0.0000086900000000, -0.0054905200000000, -0.0043201200000000 ] - [ 0.0001798300000000, -0.0054006900000000, 0.0042439200000000 ] - [ -0.0001798300000000, -0.0054006900000000, 0.0042439200000000 ] - [ -0.0000086900000000, -0.0054905200000000, 0.0043201200000000 ] - [ 0.0000086900000000, -0.0054905200000000, 0.0043201200000000 ] - [ 0.0000000000000000, 0.0052383700000000, 0.0042157500000000 ] - [ -0.0001404600000000, 0.0052831000000000, 0.0042285700000000 ] - [ 0.0000000000000000, 0.0053589500000000, 0.0042523800000000 ] - [ 0.0001404600000000, 0.0052831000000000, 0.0042285700000000 ] - [ 0.0000000000000000, 0.0419684500000000, 0.0000000000000000 ] - [ 0.0006153600000000, 0.0085187500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0074839500000000, 0.0000000000000000 ] - [ -0.0006153600000000, 0.0085187500000000, 0.0000000000000000 ] - [ -0.0000479200000000, -0.0072687800000000, 0.0000000000000000 ] - [ 0.0000479200000000, -0.0072687800000000, 0.0000000000000000 ] - [ -0.0000283200000000, -0.0071342500000000, 0.0000000000000000 ] - [ 0.0000283200000000, -0.0071342500000000, 0.0000000000000000 ] - [ 0.0000177900000000, 0.0071720900000000, 0.0000000000000000 ] - [ -0.0000177900000000, 0.0071720900000000, 0.0000000000000000 ] - [ -0.0000139500000000, 0.0071625700000000, 0.0000000000000000 ] - [ 0.0000139500000000, 0.0071625700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0072173200000000, 0.0000000000000000 ] - [ -0.0000092000000000, -0.0071694500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0071818800000000, 0.0000000000000000 ] - [ 0.0000092000000000, -0.0071694500000000, 0.0000000000000000 ] - [ -0.0003697300000000, 0.0087636400000000, 0.0063109900000000 ] - [ 0.0003697300000000, 0.0087636400000000, 0.0063109900000000 ] - [ 0.0000538800000000, 0.0088306600000000, 0.0064763100000000 ] - [ -0.0000538800000000, 0.0088306600000000, 0.0064763100000000 ] - [ 0.0000000000000000, -0.0180409800000000, -0.0027550100000000 ] - [ 0.0001129800000000, -0.0091927600000000, 0.0061872400000000 ] - [ 0.0000000000000000, -0.0090212800000000, 0.0062784000000000 ] - [ -0.0001129800000000, -0.0091927600000000, 0.0061872400000000 ] - [ 0.0000000000000000, -0.0180409800000000, 0.0027550100000000 ] - [ 0.0001129800000000, -0.0091927600000000, -0.0061872400000000 ] - [ 0.0000000000000000, -0.0090212800000000, -0.0062784000000000 ] - [ -0.0001129800000000, -0.0091927600000000, -0.0061872400000000 ] - [ -0.0003697300000000, 0.0087636400000000, -0.0063109900000000 ] - [ 0.0003697300000000, 0.0087636400000000, -0.0063109900000000 ] - [ 0.0000538800000000, 0.0088306600000000, -0.0064763100000000 ] - [ -0.0000538800000000, 0.0088306600000000, -0.0064763100000000 ] - [ 0.0000000000000000, -0.0003588300000000, 0.0002026900000000 ] - [ 0.0000826900000000, 0.0000428200000000, -0.0003003100000000 ] - [ 0.0000000000000000, 0.0000702000000000, -0.0000817800000000 ] - [ -0.0000826900000000, 0.0000428200000000, -0.0003003100000000 ] - [ 0.0000000000000000, -0.0003588300000000, -0.0002026900000000 ] - [ 0.0000826900000000, 0.0000428200000000, 0.0003003100000000 ] - [ 0.0000000000000000, 0.0000702000000000, 0.0000817800000000 ] - [ -0.0000826900000000, 0.0000428200000000, 0.0003003100000000 ] - [ -0.0087791800000000, -0.0183852700000000, 0.0000000000000000 ] - [ 0.0087791800000000, -0.0183852700000000, 0.0000000000000000 ] - [ -0.0005155600000000, -0.0089477700000000, 0.0000000000000000 ] - [ 0.0005155600000000, -0.0089477700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0089940700000000, 0.0000000000000000 ] - [ 0.0001340800000000, 0.0087965000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0087045100000000, 0.0000000000000000 ] - [ -0.0001340800000000, 0.0087965000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0089490800000000, 0.0063940600000000 ] - [ 0.0000443000000000, 0.0089259700000000, 0.0063702100000000 ] - [ 0.0000000000000000, 0.0089338100000000, 0.0063900400000000 ] - [ -0.0000443000000000, 0.0089259700000000, 0.0063702100000000 ] - [ -0.0000538500000000, -0.0088334100000000, 0.0063602500000000 ] - [ 0.0000538500000000, -0.0088334100000000, 0.0063602500000000 ] - [ 0.0000280800000000, -0.0088460400000000, 0.0063561300000000 ] - [ -0.0000280800000000, -0.0088460400000000, 0.0063561300000000 ] - [ -0.0000538500000000, -0.0088334100000000, -0.0063602500000000 ] - [ 0.0000538500000000, -0.0088334100000000, -0.0063602500000000 ] - [ 0.0000280800000000, -0.0088460400000000, -0.0063561300000000 ] - [ -0.0000280800000000, -0.0088460400000000, -0.0063561300000000 ] - [ 0.0000000000000000, 0.0089490800000000, -0.0063940600000000 ] - [ 0.0000443000000000, 0.0089259700000000, -0.0063702100000000 ] - [ 0.0000000000000000, 0.0089338100000000, -0.0063900400000000 ] - [ -0.0000443000000000, 0.0089259700000000, -0.0063702100000000 ] - [ -0.0002175600000000, 0.0001650000000000, -0.0000601800000000 ] - [ 0.0002175600000000, 0.0001650000000000, -0.0000601800000000 ] - [ 0.0000746900000000, -0.0000196000000000, -0.0000196900000000 ] - [ -0.0000746900000000, -0.0000196000000000, -0.0000196900000000 ] - [ -0.0002175600000000, 0.0001650000000000, 0.0000601800000000 ] - [ 0.0002175600000000, 0.0001650000000000, 0.0000601800000000 ] - [ 0.0000746900000000, -0.0000196000000000, 0.0000196900000000 ] - [ -0.0000746900000000, -0.0000196000000000, 0.0000196900000000 ] - [ 0.0000000000000000, -0.0086409100000000, 0.0000000000000000 ] - [ 0.0000347700000000, -0.0087059400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0087317400000000, 0.0000000000000000 ] - [ -0.0000347700000000, -0.0087059400000000, 0.0000000000000000 ] - [ -0.0000322800000000, 0.0087308600000000, 0.0000000000000000 ] - [ 0.0000322800000000, 0.0087308600000000, 0.0000000000000000 ] - [ 0.0000210300000000, 0.0087352000000000, 0.0000000000000000 ] - [ -0.0000210300000000, 0.0087352000000000, 0.0000000000000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000019000000000, 0.0066686900000000, -0.0005401400000000 ] - [ 0.0000019000000000, 0.0066686900000000, -0.0005401400000000 ] - [ 0.0000001100000000, 0.0066679900000000, -0.0000076300000000 ] - [ -0.0000001100000000, 0.0066679900000000, -0.0000076300000000 ] - [ 0.0000000000000000, -0.0066665900000000, -0.0000055000000000 ] - [ -0.0000001300000000, -0.0066658800000000, -0.0000024000000000 ] - [ 0.0000000000000000, -0.0066656600000000, 0.0000015100000000 ] - [ 0.0000001300000000, -0.0066658800000000, -0.0000024000000000 ] - [ 0.0000000000000000, 0.0066613700000000, 0.0000006800000000 ] - [ 0.0000013800000000, 0.0066653900000000, 0.0001335700000000 ] - [ 0.0000000000000000, 0.0066670300000000, -0.0000004000000000 ] - [ -0.0000013800000000, 0.0066653900000000, 0.0001335700000000 ] - [ 0.0000007900000000, -0.0066661200000000, 0.0000259100000000 ] - [ -0.0000007900000000, -0.0066661200000000, 0.0000259100000000 ] - [ -0.0000002100000000, -0.0066665400000000, 0.0000030900000000 ] - [ 0.0000002100000000, -0.0066665400000000, 0.0000030900000000 ] - [ -0.0011833300000000, 0.0040082400000000, -0.0041880600000000 ] - [ 0.0011833300000000, 0.0040082400000000, -0.0041880600000000 ] - [ -0.0000002700000000, 0.0052864200000000, -0.0042263700000000 ] - [ 0.0000002700000000, 0.0052864200000000, -0.0042263700000000 ] - [ 0.0000000000000000, -0.0053043400000000, -0.0027239500000000 ] - [ -0.0000896100000000, -0.0053460400000000, -0.0042325600000000 ] - [ 0.0000000000000000, -0.0053911500000000, -0.0042582900000000 ] - [ 0.0000896100000000, -0.0053460400000000, -0.0042325600000000 ] - [ 0.0000000000000000, -0.0054996300000000, 0.0057820300000000 ] - [ 0.0000896700000000, -0.0054329200000000, 0.0042959400000000 ] - [ 0.0000000000000000, -0.0053883600000000, 0.0042712400000000 ] - [ -0.0000896700000000, -0.0054329200000000, 0.0042959400000000 ] - [ 0.0011200500000000, 0.0067847000000000, 0.0042335100000000 ] - [ -0.0011200500000000, 0.0067847000000000, 0.0042335100000000 ] - [ -0.0000015800000000, 0.0054981700000000, 0.0042967000000000 ] - [ 0.0000015800000000, 0.0054981700000000, 0.0042967000000000 ] - [ 0.0000000000000000, 0.0055314400000000, -0.0043242100000000 ] - [ 0.0000836100000000, 0.0054753700000000, -0.0043163300000000 ] - [ 0.0000000000000000, 0.0053907200000000, -0.0042784400000000 ] - [ -0.0000836100000000, 0.0054753700000000, -0.0043163300000000 ] - [ -0.0000274400000000, -0.0055278400000000, -0.0043484500000000 ] - [ 0.0000274400000000, -0.0055278400000000, -0.0043484500000000 ] - [ 0.0000714400000000, -0.0054667700000000, -0.0043132600000000 ] - [ -0.0000714400000000, -0.0054667700000000, -0.0043132600000000 ] - [ 0.0000290600000000, -0.0052508500000000, 0.0041798100000000 ] - [ -0.0000290600000000, -0.0052508500000000, 0.0041798100000000 ] - [ -0.0000726200000000, -0.0053137700000000, 0.0042127000000000 ] - [ 0.0000726200000000, -0.0053137700000000, 0.0042127000000000 ] - [ 0.0000000000000000, 0.0052505600000000, 0.0042034900000000 ] - [ -0.0000846000000000, 0.0053073000000000, 0.0042124700000000 ] - [ 0.0000000000000000, 0.0053929200000000, 0.0042518400000000 ] - [ 0.0000846000000000, 0.0053073000000000, 0.0042124700000000 ] - [ 0.0000000000000000, 0.0063311300000000, -0.0344048700000000 ] - [ -0.0000007000000000, 0.0071741500000000, 0.0002734200000000 ] - [ 0.0000000000000000, 0.0071709900000000, 0.0000057300000000 ] - [ 0.0000007000000000, 0.0071741500000000, 0.0002734200000000 ] - [ 0.0000015100000000, -0.0071693100000000, 0.0001873800000000 ] - [ -0.0000015100000000, -0.0071693100000000, 0.0001873800000000 ] - [ 0.0000001300000000, -0.0071682800000000, -0.0000080900000000 ] - [ -0.0000001300000000, -0.0071682800000000, -0.0000080900000000 ] - [ 0.0000005400000000, 0.0071704400000000, 0.0000092200000000 ] - [ -0.0000005400000000, 0.0071704400000000, 0.0000092200000000 ] - [ 0.0000009500000000, 0.0071699000000000, 0.0000039000000000 ] - [ -0.0000009500000000, 0.0071699000000000, 0.0000039000000000 ] - [ 0.0000000000000000, -0.0071692200000000, 0.0000266200000000 ] - [ -0.0000002400000000, -0.0071695200000000, 0.0000183000000000 ] - [ 0.0000000000000000, -0.0071691900000000, 0.0000179500000000 ] - [ 0.0000002400000000, -0.0071695200000000, 0.0000183000000000 ] - [ -0.0001429800000000, 0.0087355300000000, 0.0062949700000000 ] - [ 0.0001429800000000, 0.0087355300000000, 0.0062949700000000 ] - [ 0.0000208800000000, 0.0089084800000000, 0.0063670700000000 ] - [ -0.0000208800000000, 0.0089084800000000, 0.0063670700000000 ] - [ 0.0000000000000000, 0.0037870700000000, 0.0223358900000000 ] - [ -0.0000623100000000, -0.0087291700000000, 0.0063290500000000 ] - [ 0.0000000000000000, -0.0088939900000000, 0.0063914800000000 ] - [ 0.0000623100000000, -0.0087291700000000, 0.0063290500000000 ] - [ 0.0000000000000000, -0.0209408700000000, 0.0087049000000000 ] - [ 0.0000651600000000, -0.0091117000000000, -0.0064366000000000 ] - [ 0.0000000000000000, -0.0089422900000000, -0.0063780400000000 ] - [ -0.0000651600000000, -0.0091117000000000, -0.0064366000000000 ] - [ 0.0001419600000000, 0.0091005700000000, -0.0064770100000000 ] - [ -0.0001419600000000, 0.0091005700000000, -0.0064770100000000 ] - [ -0.0000203800000000, 0.0089314200000000, -0.0064040000000000 ] - [ 0.0000203800000000, 0.0089314200000000, -0.0064040000000000 ] - [ 0.0000000000000000, -0.0002204300000000, 0.0003989100000000 ] - [ 0.0001317700000000, -0.0000288600000000, 0.0001254700000000 ] - [ 0.0000000000000000, 0.0000262200000000, -0.0000250500000000 ] - [ -0.0001317700000000, -0.0000288600000000, 0.0001254700000000 ] - [ 0.0000000000000000, 0.0002140500000000, 0.0003926600000000 ] - [ -0.0001318300000000, 0.0000295700000000, 0.0001309400000000 ] - [ 0.0000000000000000, -0.0000237600000000, -0.0000245200000000 ] - [ 0.0001318300000000, 0.0000295700000000, 0.0001309400000000 ] - [ 0.0000693400000000, -0.0086889400000000, 0.0008317600000000 ] - [ -0.0000693400000000, -0.0086889400000000, 0.0008317600000000 ] - [ -0.0000014700000000, -0.0087207700000000, -0.0000173700000000 ] - [ 0.0000014700000000, -0.0087207700000000, -0.0000173700000000 ] - [ 0.0000000000000000, 0.0087235300000000, -0.0019359200000000 ] - [ 0.0000004000000000, 0.0087218600000000, -0.0000421300000000 ] - [ 0.0000000000000000, 0.0087225800000000, -0.0000127600000000 ] - [ -0.0000004000000000, 0.0087218600000000, -0.0000421300000000 ] - [ 0.0000000000000000, 0.0089531300000000, 0.0063872000000000 ] - [ 0.0000034400000000, 0.0089528900000000, 0.0063941500000000 ] - [ 0.0000000000000000, 0.0089195100000000, 0.0063876900000000 ] - [ -0.0000034400000000, 0.0089528900000000, 0.0063941500000000 ] - [ 0.0000102800000000, -0.0089628400000000, 0.0063881600000000 ] - [ -0.0000102800000000, -0.0089628400000000, 0.0063881600000000 ] - [ -0.0000243400000000, -0.0089395100000000, 0.0063846100000000 ] - [ 0.0000243400000000, -0.0089395100000000, 0.0063846100000000 ] - [ -0.0000103000000000, -0.0088726600000000, -0.0063795200000000 ] - [ 0.0000103000000000, -0.0088726600000000, -0.0063795200000000 ] - [ 0.0000247400000000, -0.0088962600000000, -0.0063844600000000 ] - [ -0.0000247400000000, -0.0088962600000000, -0.0063844600000000 ] - [ 0.0000000000000000, 0.0088880800000000, -0.0063805700000000 ] - [ -0.0000029700000000, 0.0088882700000000, -0.0063738800000000 ] - [ 0.0000000000000000, 0.0089221400000000, -0.0063790200000000 ] - [ 0.0000029700000000, 0.0088882700000000, -0.0063738800000000 ] - [ 0.0001875000000000, -0.0001769800000000, -0.0000044200000000 ] - [ -0.0001875000000000, -0.0001769800000000, -0.0000044200000000 ] - [ -0.0000187400000000, 0.0000027500000000, 0.0000056400000000 ] - [ 0.0000187400000000, 0.0000027500000000, 0.0000056400000000 ] - [ -0.0001901500000000, 0.0001826300000000, -0.0000028200000000 ] - [ 0.0001901500000000, 0.0001826300000000, -0.0000028200000000 ] - [ 0.0000189800000000, -0.0000005000000000, 0.0000058700000000 ] - [ -0.0000189800000000, -0.0000005000000000, 0.0000058700000000 ] - [ 0.0000000000000000, -0.0087199700000000, 0.0000748100000000 ] - [ -0.0000000400000000, -0.0087199000000000, 0.0000145400000000 ] - [ 0.0000000000000000, -0.0087198200000000, 0.0000096800000000 ] - [ 0.0000000400000000, -0.0087199000000000, 0.0000145400000000 ] - [ -0.0000001500000000, 0.0087212500000000, 0.0000544400000000 ] - [ 0.0000001500000000, 0.0087212500000000, 0.0000544400000000 ] - [ 0.0000002900000000, 0.0087213600000000, 0.0000365000000000 ] - [ -0.0000002900000000, 0.0087213600000000, 0.0000365000000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004145700000000, 0.0066685300000000, -0.0000001000000000 ] - [ -0.0000993700000000, 0.0065144900000000, -0.0002057500000000 ] - [ -0.0001793200000000, 0.0066679300000000, -0.0000001100000000 ] - [ -0.0001001900000000, 0.0068231400000000, 0.0002050200000000 ] - [ 0.0029537200000000, -0.0087430400000000, -0.0021443400000000 ] - [ -0.0003097800000000, -0.0065024500000000, 0.0001356500000000 ] - [ -0.0003092900000000, -0.0068327800000000, -0.0001341900000000 ] - [ 0.0029162300000000, -0.0046486600000000, 0.0020886300000000 ] - [ 0.0000643400000000, 0.0067625200000000, -0.0000683300000000 ] - [ -0.0000820900000000, 0.0067130500000000, -0.0000147900000000 ] - [ -0.0000823000000000, 0.0066207400000000, 0.0000151000000000 ] - [ 0.0000637500000000, 0.0065698600000000, 0.0000689900000000 ] - [ 0.0004408200000000, -0.0066691000000000, 0.0000003100000000 ] - [ -0.0000380500000000, -0.0069267900000000, 0.0000716000000000 ] - [ -0.0001453000000000, -0.0066676400000000, 0.0000000800000000 ] - [ -0.0000379800000000, -0.0064089400000000, -0.0000710000000000 ] - [ 0.0009895800000000, 0.0053932500000000, -0.0042631400000000 ] - [ -0.0002789700000000, 0.0056473000000000, -0.0043485400000000 ] - [ -0.0004829200000000, 0.0053909600000000, -0.0042632100000000 ] - [ -0.0002859100000000, 0.0051327200000000, -0.0041725500000000 ] - [ 0.0153922300000000, 0.0066227400000000, 0.0009993400000000 ] - [ -0.0026387300000000, -0.0055531700000000, -0.0042170400000000 ] - [ -0.0026269200000000, -0.0052250300000000, -0.0043011000000000 ] - [ 0.0149262500000000, -0.0168010800000000, -0.0092843800000000 ] - [ 0.0002757000000000, -0.0052311200000000, 0.0055489400000000 ] - [ -0.0006026600000000, -0.0054584500000000, 0.0045224600000000 ] - [ -0.0006057900000000, -0.0053239200000000, 0.0040022200000000 ] - [ 0.0002627200000000, -0.0055469200000000, 0.0029694000000000 ] - [ 0.0025593700000000, 0.0053919300000000, 0.0042597800000000 ] - [ -0.0006629100000000, 0.0064935300000000, 0.0035844000000000 ] - [ -0.0008110700000000, 0.0053924100000000, 0.0042617000000000 ] - [ -0.0006796300000000, 0.0042894700000000, 0.0049328700000000 ] - [ 0.0002834400000000, 0.0052913600000000, -0.0042319300000000 ] - [ -0.0003237300000000, 0.0052583900000000, -0.0042563800000000 ] - [ -0.0003269300000000, 0.0055262100000000, -0.0042669600000000 ] - [ 0.0002841700000000, 0.0054935400000000, -0.0042923500000000 ] - [ 0.0007940200000000, -0.0053965100000000, -0.0042646400000000 ] - [ -0.0001352400000000, -0.0051738600000000, -0.0041933300000000 ] - [ -0.0005137400000000, -0.0053923300000000, -0.0042627100000000 ] - [ -0.0001390100000000, -0.0056147500000000, -0.0043344800000000 ] - [ 0.0003910000000000, -0.0053930800000000, 0.0042642500000000 ] - [ -0.0000011600000000, -0.0053294300000000, 0.0043341600000000 ] - [ -0.0003456100000000, -0.0053917500000000, 0.0042633600000000 ] - [ -0.0000012200000000, -0.0054548200000000, 0.0041934700000000 ] - [ 0.0010136500000000, 0.0048683600000000, 0.0039697400000000 ] - [ -0.0013739700000000, 0.0045766100000000, 0.0039364600000000 ] - [ -0.0013744600000000, 0.0062019100000000, 0.0045833600000000 ] - [ 0.0010145300000000, 0.0059093900000000, 0.0045504400000000 ] - [ 0.0003108500000000, 0.0075441300000000, -0.0001433200000000 ] - [ -0.0000154900000000, 0.0072243200000000, -0.0000200600000000 ] - [ -0.0000168400000000, 0.0071195800000000, 0.0000206400000000 ] - [ 0.0003136900000000, 0.0068004800000000, 0.0001421500000000 ] - [ -0.0002045400000000, -0.0071927900000000, 0.0000377200000000 ] - [ -0.0002641700000000, -0.0072853100000000, 0.0000637800000000 ] - [ -0.0001926200000000, -0.0071732400000000, -0.0000005300000000 ] - [ -0.0002680600000000, -0.0070592700000000, -0.0000638500000000 ] - [ 0.0000477100000000, 0.0071711200000000, 0.0000006900000000 ] - [ -0.0000058800000000, 0.0072101000000000, -0.0000025700000000 ] - [ -0.0000754400000000, 0.0071727300000000, 0.0000007800000000 ] - [ -0.0000068700000000, 0.0071329500000000, 0.0000041200000000 ] - [ 0.0000768100000000, -0.0072220600000000, 0.0000097300000000 ] - [ -0.0000574600000000, -0.0071982800000000, 0.0000241400000000 ] - [ -0.0000574600000000, -0.0071428100000000, -0.0000257600000000 ] - [ 0.0000779700000000, -0.0071154300000000, -0.0000107200000000 ] - [ -0.0539713600000000, 0.0083855800000000, 0.0061764800000000 ] - [ 0.0033677700000000, 0.0084598700000000, 0.0063465500000000 ] - [ 0.0011924700000000, 0.0089175300000000, 0.0063894900000000 ] - [ 0.0033275300000000, 0.0093675400000000, 0.0064301700000000 ] - [ 0.0001152500000000, -0.0090209700000000, 0.0066047900000000 ] - [ 0.0002486600000000, -0.0089852900000000, 0.0063923300000000 ] - [ 0.0002502400000000, -0.0088515500000000, 0.0063914900000000 ] - [ 0.0001188400000000, -0.0088142900000000, 0.0061771900000000 ] - [ 0.0009347800000000, -0.0096693100000000, -0.0026687400000000 ] - [ 0.0004641400000000, -0.0090530400000000, -0.0061516200000000 ] - [ 0.0004666000000000, -0.0087848300000000, -0.0066286300000000 ] - [ 0.0009500800000000, -0.0081692400000000, -0.0101038700000000 ] - [ -0.0010313200000000, 0.0089117600000000, -0.0063767200000000 ] - [ 0.0003045400000000, 0.0089574100000000, -0.0066692400000000 ] - [ 0.0003800200000000, 0.0089195900000000, -0.0063907100000000 ] - [ 0.0003071100000000, 0.0088800600000000, -0.0061136100000000 ] - [ -0.0002736600000000, -0.0001123400000000, -0.0000791500000000 ] - [ 0.0002410100000000, -0.0000941300000000, 0.0000241400000000 ] - [ 0.0002425300000000, 0.0000952100000000, -0.0000254200000000 ] - [ -0.0002724200000000, 0.0001151200000000, 0.0000779100000000 ] - [ -0.0002708200000000, -0.0006171400000000, 0.0001870900000000 ] - [ 0.0004148500000000, -0.0002292000000000, -0.0000166100000000 ] - [ 0.0004175800000000, 0.0002300300000000, 0.0000182100000000 ] - [ -0.0002627000000000, 0.0006275700000000, -0.0001871700000000 ] - [ -0.0003471700000000, -0.0087241400000000, -0.0000094700000000 ] - [ 0.0001511500000000, -0.0089694700000000, 0.0003829100000000 ] - [ 0.0002344900000000, -0.0087255900000000, -0.0000006300000000 ] - [ 0.0001546200000000, -0.0084797200000000, -0.0003856200000000 ] - [ 0.0019273300000000, 0.0120237200000000, -0.0035905500000000 ] - [ 0.0002600600000000, 0.0088097400000000, -0.0002741000000000 ] - [ 0.0002621800000000, 0.0086363400000000, 0.0002731500000000 ] - [ 0.0019335400000000, 0.0054251500000000, 0.0035817400000000 ] - [ -0.0002358000000000, 0.0090207200000000, 0.0063588100000000 ] - [ 0.0001945900000000, 0.0091074100000000, 0.0063846000000000 ] - [ 0.0001958700000000, 0.0087259600000000, 0.0064041500000000 ] - [ -0.0002355900000000, 0.0088171700000000, 0.0064244800000000 ] - [ -0.0001779600000000, -0.0089176100000000, 0.0063921200000000 ] - [ 0.0000066500000000, -0.0089406500000000, 0.0063998600000000 ] - [ 0.0002440500000000, -0.0089184700000000, 0.0063909900000000 ] - [ 0.0000066300000000, -0.0088933800000000, 0.0063841000000000 ] - [ -0.0004320100000000, -0.0089163500000000, -0.0063912300000000 ] - [ 0.0001338700000000, -0.0088180900000000, -0.0062691300000000 ] - [ 0.0009599800000000, -0.0089180000000000, -0.0063904400000000 ] - [ 0.0001342200000000, -0.0090136600000000, -0.0065133200000000 ] - [ -0.0001459900000000, 0.0089974100000000, -0.0064266300000000 ] - [ 0.0001346100000000, 0.0089793900000000, -0.0064497200000000 ] - [ 0.0001350200000000, 0.0088518200000000, -0.0063398400000000 ] - [ -0.0001461200000000, 0.0088387700000000, -0.0063572100000000 ] - [ -0.0005414900000000, -0.0000017800000000, 0.0000004500000000 ] - [ 0.0001972800000000, 0.0002316200000000, -0.0002214200000000 ] - [ 0.0003950100000000, -0.0000001700000000, 0.0000001500000000 ] - [ 0.0001996500000000, -0.0002333400000000, 0.0002226200000000 ] - [ -0.0024497200000000, 0.0000003900000000, 0.0000017800000000 ] - [ 0.0040852900000000, 0.0032915600000000, 0.0014578700000000 ] - [ 0.0018559800000000, 0.0000003000000000, -0.0000003200000000 ] - [ 0.0040595300000000, -0.0032817200000000, -0.0014554100000000 ] - [ -0.0001471400000000, -0.0086791000000000, 0.0000873800000000 ] - [ 0.0001369600000000, -0.0086543400000000, 0.0001622700000000 ] - [ 0.0001352300000000, -0.0087940400000000, -0.0001621900000000 ] - [ -0.0001462000000000, -0.0087717500000000, -0.0000880600000000 ] - [ -0.0002473200000000, 0.0087251300000000, 0.0000013900000000 ] - [ 0.0000769900000000, 0.0085800300000000, -0.0000597900000000 ] - [ 0.0001896300000000, 0.0087279300000000, 0.0000007100000000 ] - [ 0.0000823300000000, 0.0088739000000000, 0.0000618400000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0069993000000000, -0.0000867800000000 ] - [ 0.0000689700000000, 0.0068385100000000, -0.0000873500000000 ] - [ 0.0000000000000000, 0.0067302000000000, -0.0000235900000000 ] - [ -0.0000689700000000, 0.0068385100000000, -0.0000873500000000 ] - [ -0.0023172500000000, -0.0043096800000000, 0.0019788100000000 ] - [ 0.0001375900000000, -0.0065590400000000, 0.0000325100000000 ] - [ -0.0001375900000000, -0.0065590400000000, 0.0000325100000000 ] - [ 0.0023172500000000, -0.0043096800000000, 0.0019788100000000 ] - [ 0.0001115300000000, 0.0062942000000000, 0.0000835000000000 ] - [ 0.0000454100000000, 0.0065779300000000, -0.0000128200000000 ] - [ -0.0000454100000000, 0.0065779300000000, -0.0000128200000000 ] - [ -0.0001115300000000, 0.0062942000000000, 0.0000835000000000 ] - [ 0.0000000000000000, -0.0071335400000000, 0.0000468800000000 ] - [ -0.0000417400000000, -0.0069284900000000, 0.0000295300000000 ] - [ 0.0000000000000000, -0.0067515100000000, 0.0000217600000000 ] - [ 0.0000417400000000, -0.0069284900000000, 0.0000295300000000 ] - [ 0.0000000000000000, 0.0060842000000000, -0.0031702800000000 ] - [ 0.0002947300000000, 0.0055214300000000, -0.0040252100000000 ] - [ 0.0000000000000000, 0.0054461400000000, -0.0041889100000000 ] - [ -0.0002947300000000, 0.0055214300000000, -0.0040252100000000 ] - [ 0.0129894800000000, 0.0109141400000000, -0.0002956700000000 ] - [ -0.0005256100000000, -0.0048963700000000, -0.0042041000000000 ] - [ 0.0005256100000000, -0.0048963700000000, -0.0042041000000000 ] - [ -0.0129894800000000, 0.0109141400000000, -0.0002956700000000 ] - [ -0.0001370400000000, -0.0042547100000000, 0.0060567700000000 ] - [ -0.0000140600000000, -0.0052243300000000, 0.0044696000000000 ] - [ 0.0000140600000000, -0.0052243300000000, 0.0044696000000000 ] - [ 0.0001370400000000, -0.0042547100000000, 0.0060567700000000 ] - [ 0.0000000000000000, 0.0101041100000000, 0.0018816100000000 ] - [ 0.0010074400000000, 0.0059224200000000, 0.0041162000000000 ] - [ 0.0000000000000000, 0.0055229500000000, 0.0041446700000000 ] - [ -0.0010074400000000, 0.0059224200000000, 0.0041162000000000 ] - [ 0.0000457600000000, 0.0051418900000000, -0.0043620600000000 ] - [ -0.0000525000000000, 0.0052480500000000, -0.0043491900000000 ] - [ 0.0000525000000000, 0.0052480500000000, -0.0043491900000000 ] - [ -0.0000457600000000, 0.0051418900000000, -0.0043620600000000 ] - [ 0.0000000000000000, -0.0070612800000000, -0.0042473100000000 ] - [ 0.0009064200000000, -0.0064548700000000, -0.0042519100000000 ] - [ 0.0000000000000000, -0.0056136100000000, -0.0040766500000000 ] - [ -0.0009064200000000, -0.0064548700000000, -0.0042519100000000 ] - [ 0.0000000000000000, -0.0058351500000000, 0.0039473500000000 ] - [ 0.0001700700000000, -0.0056434000000000, 0.0040779000000000 ] - [ 0.0000000000000000, -0.0054712300000000, 0.0041805600000000 ] - [ -0.0001700700000000, -0.0056434000000000, 0.0040779000000000 ] - [ -0.0004951600000000, 0.0035107300000000, 0.0035443300000000 ] - [ -0.0005286600000000, 0.0046942000000000, 0.0040860600000000 ] - [ 0.0005286600000000, 0.0046942000000000, 0.0040860600000000 ] - [ 0.0004951600000000, 0.0035107300000000, 0.0035443300000000 ] - [ -0.0000740200000000, 0.0073194700000000, -0.0001819300000000 ] - [ 0.0000449100000000, 0.0072601000000000, -0.0000107800000000 ] - [ -0.0000449100000000, 0.0072601000000000, -0.0000107800000000 ] - [ 0.0000740200000000, 0.0073194700000000, -0.0001819300000000 ] - [ 0.0000000000000000, 0.0021548700000000, -0.0125964400000000 ] - [ -0.0000441100000000, -0.0069040900000000, -0.0001925700000000 ] - [ 0.0000000000000000, -0.0070736000000000, -0.0000247900000000 ] - [ 0.0000441100000000, -0.0069040900000000, -0.0001925700000000 ] - [ 0.0000000000000000, 0.0071423600000000, 0.0000331900000000 ] - [ 0.0000076500000000, 0.0071561900000000, 0.0000328900000000 ] - [ 0.0000000000000000, 0.0071414600000000, -0.0000012400000000 ] - [ -0.0000076500000000, 0.0071561900000000, 0.0000328900000000 ] - [ 0.0000881200000000, -0.0072612700000000, 0.0000446800000000 ] - [ 0.0000707500000000, -0.0072484600000000, 0.0000208200000000 ] - [ -0.0000707500000000, -0.0072484600000000, 0.0000208200000000 ] - [ -0.0000881200000000, -0.0072612700000000, 0.0000446800000000 ] - [ 0.0000000000000000, -0.0543974300000000, 0.0186791900000000 ] - [ 0.0004529400000000, 0.0074918000000000, 0.0062908600000000 ] - [ 0.0000000000000000, 0.0087060000000000, 0.0063975100000000 ] - [ -0.0004529400000000, 0.0074918000000000, 0.0062908600000000 ] - [ -0.0001069300000000, -0.0092172300000000, 0.0058253500000000 ] - [ -0.0000670700000000, -0.0090313500000000, 0.0063088900000000 ] - [ 0.0000670700000000, -0.0090313500000000, 0.0063088900000000 ] - [ 0.0001069300000000, -0.0092172300000000, 0.0058253500000000 ] - [ -0.0007610500000000, -0.0108257500000000, -0.0064691300000000 ] - [ -0.0001345800000000, -0.0091151300000000, -0.0062634200000000 ] - [ 0.0001345800000000, -0.0091151300000000, -0.0062634200000000 ] - [ 0.0007610500000000, -0.0108257500000000, -0.0064691300000000 ] - [ 0.0000000000000000, 0.0070461900000000, -0.0067148500000000 ] - [ -0.0000400900000000, 0.0084148300000000, -0.0064919000000000 ] - [ 0.0000000000000000, 0.0088277500000000, -0.0064879200000000 ] - [ 0.0000400900000000, 0.0084148300000000, -0.0064919000000000 ] - [ -0.0001554400000000, 0.0001382800000000, -0.0000066300000000 ] - [ -0.0000879800000000, 0.0000178900000000, -0.0000054000000000 ] - [ 0.0000879800000000, 0.0000178900000000, -0.0000054000000000 ] - [ 0.0001554400000000, 0.0001382800000000, -0.0000066300000000 ] - [ -0.0018862800000000, 0.0019316200000000, -0.0004144300000000 ] - [ -0.0002632700000000, 0.0000386900000000, 0.0000441300000000 ] - [ 0.0002632700000000, 0.0000386900000000, 0.0000441300000000 ] - [ 0.0018862800000000, 0.0019316200000000, -0.0004144300000000 ] - [ 0.0000000000000000, -0.0077791600000000, -0.0050741100000000 ] - [ -0.0001375000000000, -0.0088341100000000, -0.0001223800000000 ] - [ 0.0000000000000000, -0.0087629400000000, 0.0000157100000000 ] - [ 0.0001375000000000, -0.0088341100000000, -0.0001223800000000 ] - [ 0.0037777700000000, 0.0120710100000000, -0.0039884500000000 ] - [ 0.0000425300000000, 0.0085632600000000, -0.0001069700000000 ] - [ -0.0000425300000000, 0.0085632600000000, -0.0001069700000000 ] - [ -0.0037777700000000, 0.0120710100000000, -0.0039884500000000 ] - [ -0.0001022700000000, 0.0095293400000000, 0.0062482600000000 ] - [ -0.0001912400000000, 0.0093423000000000, 0.0062669200000000 ] - [ 0.0001912400000000, 0.0093423000000000, 0.0062669200000000 ] - [ 0.0001022700000000, 0.0095293400000000, 0.0062482600000000 ] - [ 0.0000000000000000, -0.0086532400000000, 0.0064904500000000 ] - [ -0.0000231800000000, -0.0087691400000000, 0.0064708500000000 ] - [ 0.0000000000000000, -0.0088409400000000, 0.0064655700000000 ] - [ 0.0000231800000000, -0.0087691400000000, 0.0064708500000000 ] - [ 0.0000000000000000, -0.0079110700000000, -0.0062785000000000 ] - [ 0.0000987300000000, -0.0081410700000000, -0.0063749000000000 ] - [ 0.0000000000000000, -0.0084487800000000, -0.0063755900000000 ] - [ -0.0000987300000000, -0.0081410700000000, -0.0063749000000000 ] - [ -0.0000801700000000, 0.0092257400000000, -0.0062868900000000 ] - [ -0.0000649700000000, 0.0090778800000000, -0.0063306200000000 ] - [ 0.0000649700000000, 0.0090778800000000, -0.0063306200000000 ] - [ 0.0000801700000000, 0.0092257400000000, -0.0062868900000000 ] - [ 0.0000000000000000, -0.0000010800000000, -0.0001231800000000 ] - [ 0.0001649500000000, 0.0000722000000000, -0.0002279500000000 ] - [ 0.0000000000000000, -0.0000183900000000, -0.0000049400000000 ] - [ -0.0001649500000000, 0.0000722000000000, -0.0002279500000000 ] - [ 0.0000000000000000, 0.0036129400000000, 0.0016185700000000 ] - [ 0.0023366400000000, 0.0026633800000000, 0.0013181000000000 ] - [ 0.0000000000000000, 0.0000162100000000, -0.0000194800000000 ] - [ -0.0023366400000000, 0.0026633800000000, 0.0013181000000000 ] - [ -0.0000026400000000, -0.0086507300000000, 0.0002338100000000 ] - [ -0.0000167000000000, -0.0086839900000000, 0.0001349500000000 ] - [ 0.0000167000000000, -0.0086839900000000, 0.0001349500000000 ] - [ 0.0000026400000000, -0.0086507300000000, 0.0002338100000000 ] - [ 0.0000000000000000, 0.0092204500000000, 0.0002528700000000 ] - [ -0.0002289000000000, 0.0090829000000000, 0.0000088100000000 ] - [ 0.0000000000000000, 0.0087834300000000, -0.0000050800000000 ] - [ 0.0002289000000000, 0.0090829000000000, 0.0000088100000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0063375300000000, 0.0000867500000000 ] - [ -0.0000762200000000, 0.0064996900000000, 0.0000879700000000 ] - [ 0.0000000000000000, 0.0066214800000000, 0.0000243500000000 ] - [ 0.0000762200000000, 0.0064996900000000, 0.0000879700000000 ] - [ 0.0023793600000000, -0.0090626800000000, -0.0020300700000000 ] - [ -0.0001385500000000, -0.0067792700000000, -0.0000326800000000 ] - [ 0.0001385500000000, -0.0067792700000000, -0.0000326800000000 ] - [ -0.0023793600000000, -0.0090626800000000, -0.0020300700000000 ] - [ -0.0001127600000000, 0.0070437300000000, -0.0000847200000000 ] - [ -0.0000460300000000, 0.0067585800000000, 0.0000128900000000 ] - [ 0.0000460300000000, 0.0067585800000000, 0.0000128900000000 ] - [ 0.0001127600000000, 0.0070437300000000, -0.0000847200000000 ] - [ 0.0000000000000000, -0.0061976800000000, -0.0000463700000000 ] - [ 0.0000422400000000, -0.0064065900000000, -0.0000297300000000 ] - [ 0.0000000000000000, -0.0065838200000000, -0.0000221700000000 ] - [ -0.0000422400000000, -0.0064065900000000, -0.0000297300000000 ] - [ 0.0000000000000000, 0.0046866900000000, -0.0053650900000000 ] - [ -0.0002947800000000, 0.0052505900000000, -0.0044916300000000 ] - [ 0.0000000000000000, 0.0053249400000000, -0.0043277600000000 ] - [ 0.0002947800000000, 0.0052505900000000, -0.0044916300000000 ] - [ -0.0124857400000000, -0.0213996600000000, -0.0080278000000000 ] - [ 0.0005219900000000, -0.0058783500000000, -0.0043174400000000 ] - [ -0.0005219900000000, -0.0058783500000000, -0.0043174400000000 ] - [ 0.0124857400000000, -0.0213996600000000, -0.0080278000000000 ] - [ 0.0001536100000000, -0.0065172200000000, 0.0024519300000000 ] - [ 0.0000144500000000, -0.0055515400000000, 0.0040538300000000 ] - [ -0.0000144500000000, -0.0055515400000000, 0.0040538300000000 ] - [ -0.0001536100000000, -0.0065172200000000, 0.0024519300000000 ] - [ 0.0000000000000000, 0.0005687300000000, 0.0068884200000000 ] - [ -0.0010084900000000, 0.0048405700000000, 0.0043945000000000 ] - [ 0.0000000000000000, 0.0052466200000000, 0.0043709600000000 ] - [ 0.0010084900000000, 0.0048405700000000, 0.0043945000000000 ] - [ -0.0000457500000000, 0.0056385300000000, -0.0041572700000000 ] - [ 0.0000533400000000, 0.0055334200000000, -0.0041633900000000 ] - [ -0.0000533400000000, 0.0055334200000000, -0.0041633900000000 ] - [ 0.0000457500000000, 0.0056385300000000, -0.0041572700000000 ] - [ 0.0000000000000000, -0.0037110100000000, -0.0042675900000000 ] - [ -0.0009132600000000, -0.0043190900000000, -0.0042645600000000 ] - [ 0.0000000000000000, -0.0051657700000000, -0.0044418700000000 ] - [ 0.0009132600000000, -0.0043190900000000, -0.0042645600000000 ] - [ 0.0000000000000000, -0.0049433800000000, 0.0045740800000000 ] - [ -0.0001703700000000, -0.0051354500000000, 0.0044430800000000 ] - [ 0.0000000000000000, -0.0053082400000000, 0.0043392100000000 ] - [ 0.0001703700000000, -0.0051354500000000, 0.0044430800000000 ] - [ 0.0004882900000000, 0.0072572800000000, 0.0049677900000000 ] - [ 0.0005281300000000, 0.0060871700000000, 0.0044252800000000 ] - [ -0.0005281300000000, 0.0060871700000000, 0.0044252800000000 ] - [ -0.0004882900000000, 0.0072572800000000, 0.0049677900000000 ] - [ 0.0000687500000000, 0.0070275500000000, 0.0001833200000000 ] - [ -0.0000442400000000, 0.0070868300000000, 0.0000122500000000 ] - [ 0.0000442400000000, 0.0070868300000000, 0.0000122500000000 ] - [ -0.0000687500000000, 0.0070275500000000, 0.0001833200000000 ] - [ 0.0000000000000000, -0.0162900600000000, 0.0121206100000000 ] - [ 0.0000466900000000, -0.0074427800000000, 0.0001897700000000 ] - [ 0.0000000000000000, -0.0072758200000000, 0.0000232900000000 ] - [ -0.0000466900000000, -0.0074427800000000, 0.0001897700000000 ] - [ 0.0000000000000000, 0.0072081700000000, -0.0000321300000000 ] - [ -0.0000121000000000, 0.0071931300000000, -0.0000318200000000 ] - [ 0.0000000000000000, 0.0072064500000000, 0.0000024700000000 ] - [ 0.0000121000000000, 0.0071931300000000, -0.0000318200000000 ] - [ -0.0000881900000000, -0.0070866400000000, -0.0000460600000000 ] - [ -0.0000712200000000, -0.0070998700000000, -0.0000223900000000 ] - [ 0.0000712200000000, -0.0070998700000000, -0.0000223900000000 ] - [ 0.0000881900000000, -0.0070866400000000, -0.0000460600000000 ] - [ 0.0000000000000000, 0.0715739000000000, -0.0059041800000000 ] - [ -0.0004532100000000, 0.0103434200000000, 0.0064829000000000 ] - [ 0.0000000000000000, 0.0091341500000000, 0.0063785100000000 ] - [ 0.0004532100000000, 0.0103434200000000, 0.0064829000000000 ] - [ 0.0001012700000000, -0.0086194000000000, 0.0069558900000000 ] - [ 0.0000777700000000, -0.0087920700000000, 0.0064546800000000 ] - [ -0.0000777700000000, -0.0087920700000000, 0.0064546800000000 ] - [ -0.0001012700000000, -0.0086194000000000, 0.0069558900000000 ] - [ 0.0007402900000000, -0.0069946800000000, -0.0063302700000000 ] - [ 0.0001448700000000, -0.0087073400000000, -0.0064993400000000 ] - [ -0.0001448700000000, -0.0087073400000000, -0.0064993400000000 ] - [ -0.0007402900000000, -0.0069946800000000, -0.0063302700000000 ] - [ 0.0000000000000000, 0.0107888700000000, -0.0060393000000000 ] - [ 0.0000385400000000, 0.0094275000000000, -0.0062863700000000 ] - [ 0.0000000000000000, 0.0090127300000000, -0.0062893000000000 ] - [ -0.0000385400000000, 0.0094275000000000, -0.0062863700000000 ] - [ 0.0001561000000000, -0.0001365700000000, 0.0000059300000000 ] - [ 0.0000875000000000, -0.0000169200000000, 0.0000040000000000 ] - [ -0.0000875000000000, -0.0000169200000000, 0.0000040000000000 ] - [ -0.0001561000000000, -0.0001365700000000, 0.0000059300000000 ] - [ 0.0019043500000000, -0.0019451800000000, 0.0004198200000000 ] - [ 0.0002642800000000, -0.0000365900000000, -0.0000427000000000 ] - [ -0.0002642800000000, -0.0000365900000000, -0.0000427000000000 ] - [ -0.0019043500000000, -0.0019451800000000, 0.0004198200000000 ] - [ 0.0000000000000000, -0.0096779200000000, 0.0051056500000000 ] - [ 0.0001390000000000, -0.0086069300000000, 0.0001200700000000 ] - [ 0.0000000000000000, -0.0086814200000000, -0.0000179100000000 ] - [ -0.0001390000000000, -0.0086069300000000, 0.0001200700000000 ] - [ -0.0037502200000000, 0.0053758200000000, 0.0039662700000000 ] - [ -0.0000429900000000, 0.0088802300000000, 0.0001086300000000 ] - [ 0.0000429900000000, 0.0088802300000000, 0.0001086300000000 ] - [ 0.0037502200000000, 0.0053758200000000, 0.0039662700000000 ] - [ 0.0001028100000000, 0.0083086800000000, 0.0065265100000000 ] - [ 0.0001929600000000, 0.0084951800000000, 0.0065089500000000 ] - [ -0.0001929600000000, 0.0084951800000000, 0.0065089500000000 ] - [ -0.0001028100000000, 0.0083086800000000, 0.0065265100000000 ] - [ 0.0000000000000000, -0.0091867300000000, 0.0062878700000000 ] - [ 0.0000243900000000, -0.0090718400000000, 0.0063050200000000 ] - [ 0.0000000000000000, -0.0089966300000000, 0.0063125100000000 ] - [ -0.0000243900000000, -0.0090718400000000, 0.0063050200000000 ] - [ 0.0000000000000000, -0.0099241000000000, -0.0064974200000000 ] - [ -0.0000964600000000, -0.0096984500000000, -0.0063984100000000 ] - [ 0.0000000000000000, -0.0093868900000000, -0.0064011800000000 ] - [ 0.0000964600000000, -0.0096984500000000, -0.0063984100000000 ] - [ 0.0000802900000000, 0.0086127100000000, -0.0064900800000000 ] - [ 0.0000655300000000, 0.0087601100000000, -0.0064462900000000 ] - [ -0.0000655300000000, 0.0087601100000000, -0.0064462900000000 ] - [ -0.0000802900000000, 0.0086127100000000, -0.0064900800000000 ] - [ 0.0000000000000000, -0.0000024300000000, 0.0001260600000000 ] - [ -0.0001676200000000, -0.0000746900000000, 0.0002296600000000 ] - [ 0.0000000000000000, 0.0000141500000000, -0.0000026200000000 ] - [ 0.0001676200000000, -0.0000746900000000, 0.0002296600000000 ] - [ 0.0000000000000000, -0.0035762800000000, -0.0015997300000000 ] - [ -0.0023374200000000, -0.0026586300000000, -0.0013217700000000 ] - [ 0.0000000000000000, -0.0000242300000000, 0.0000255100000000 ] - [ 0.0023374200000000, -0.0026586300000000, -0.0013217700000000 ] - [ 0.0000044500000000, -0.0087923300000000, -0.0002342100000000 ] - [ 0.0000295800000000, -0.0087800800000000, -0.0001365900000000 ] - [ -0.0000295800000000, -0.0087800800000000, -0.0001365900000000 ] - [ -0.0000044500000000, -0.0087923300000000, -0.0002342100000000 ] - [ 0.0000000000000000, 0.0082188000000000, -0.0002527200000000 ] - [ 0.0002291000000000, 0.0083562200000000, -0.0000081300000000 ] - [ 0.0000000000000000, 0.0086569500000000, 0.0000066100000000 ] - [ -0.0002291000000000, 0.0083562200000000, -0.0000081300000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0063402700000000, -0.0003121600000000 ] - [ -0.0001562800000000, 0.0064478500000000, -0.0002154500000000 ] - [ 0.0000000000000000, 0.0066211600000000, -0.0000568000000000 ] - [ 0.0001562800000000, 0.0064478500000000, -0.0002154500000000 ] - [ -0.0022376100000000, -0.0048808200000000, 0.0025593200000000 ] - [ 0.0001282100000000, -0.0066967200000000, 0.0000583600000000 ] - [ -0.0001282100000000, -0.0066967200000000, 0.0000583600000000 ] - [ 0.0022376100000000, -0.0048808200000000, 0.0025593200000000 ] - [ -0.0001140400000000, 0.0068973000000000, -0.0000669900000000 ] - [ -0.0000195000000000, 0.0067254000000000, -0.0000345400000000 ] - [ 0.0000195000000000, 0.0067254000000000, -0.0000345400000000 ] - [ 0.0001140400000000, 0.0068973000000000, -0.0000669900000000 ] - [ 0.0000000000000000, -0.0061612500000000, 0.0002304500000000 ] - [ 0.0000711700000000, -0.0065022700000000, 0.0001425700000000 ] - [ 0.0000000000000000, -0.0066432000000000, 0.0000337100000000 ] - [ -0.0000711700000000, -0.0065022700000000, 0.0001425700000000 ] - [ 0.0000000000000000, 0.0039592000000000, -0.0075085900000000 ] - [ -0.0001071800000000, 0.0052242100000000, -0.0049404800000000 ] - [ 0.0000000000000000, 0.0053519300000000, -0.0044726900000000 ] - [ 0.0001071800000000, 0.0052242100000000, -0.0049404800000000 ] - [ 0.0062224100000000, 0.0001495300000000, 0.0021276000000000 ] - [ -0.0000131200000000, -0.0053115300000000, -0.0038172100000000 ] - [ 0.0000131200000000, -0.0053115300000000, -0.0038172100000000 ] - [ -0.0062224100000000, 0.0001495300000000, 0.0021276000000000 ] - [ 0.0015425100000000, -0.0056875400000000, 0.0018987500000000 ] - [ 0.0002627900000000, -0.0054630200000000, 0.0041415000000000 ] - [ -0.0002627900000000, -0.0054630200000000, 0.0041415000000000 ] - [ -0.0015425100000000, -0.0056875400000000, 0.0018987500000000 ] - [ 0.0000000000000000, -0.0046200300000000, 0.0203308600000000 ] - [ -0.0012360200000000, 0.0060157500000000, 0.0050347200000000 ] - [ 0.0000000000000000, 0.0054005400000000, 0.0043425800000000 ] - [ 0.0012360200000000, 0.0060157500000000, 0.0050347200000000 ] - [ 0.0000327700000000, 0.0056939000000000, -0.0046751800000000 ] - [ 0.0001540800000000, 0.0055891700000000, -0.0044913900000000 ] - [ -0.0001540800000000, 0.0055891700000000, -0.0044913900000000 ] - [ -0.0000327700000000, 0.0056939000000000, -0.0046751800000000 ] - [ 0.0000000000000000, -0.0050058900000000, -0.0035665100000000 ] - [ -0.0003029500000000, -0.0050632300000000, -0.0037803000000000 ] - [ 0.0000000000000000, -0.0052052600000000, -0.0041011700000000 ] - [ 0.0003029500000000, -0.0050632300000000, -0.0037803000000000 ] - [ 0.0000000000000000, -0.0053535800000000, 0.0040121500000000 ] - [ 0.0000456300000000, -0.0052982600000000, 0.0041333900000000 ] - [ 0.0000000000000000, -0.0052952200000000, 0.0042271900000000 ] - [ -0.0000456300000000, -0.0052982600000000, 0.0041333900000000 ] - [ -0.0002550500000000, 0.0050301900000000, 0.0040780500000000 ] - [ -0.0002046100000000, 0.0053242200000000, 0.0042591300000000 ] - [ 0.0002046100000000, 0.0053242200000000, 0.0042591300000000 ] - [ 0.0002550500000000, 0.0050301900000000, 0.0040780500000000 ] - [ 0.0002951300000000, 0.0072486800000000, -0.0000866900000000 ] - [ -0.0000758600000000, 0.0070831100000000, -0.0000173300000000 ] - [ 0.0000758600000000, 0.0070831100000000, -0.0000173300000000 ] - [ -0.0002951300000000, 0.0072486800000000, -0.0000866900000000 ] - [ 0.0000000000000000, -0.0161502000000000, 0.0150668200000000 ] - [ 0.0004083700000000, -0.0073738200000000, -0.0000542400000000 ] - [ 0.0000000000000000, -0.0072832200000000, 0.0000064600000000 ] - [ -0.0004083700000000, -0.0073738200000000, -0.0000542400000000 ] - [ 0.0000000000000000, 0.0071667300000000, 0.0000044900000000 ] - [ -0.0000102900000000, 0.0071841700000000, 0.0000116800000000 ] - [ 0.0000000000000000, 0.0071565900000000, 0.0000054000000000 ] - [ 0.0000102900000000, 0.0071841700000000, 0.0000116800000000 ] - [ 0.0000489000000000, -0.0071999000000000, 0.0000041100000000 ] - [ 0.0000741400000000, -0.0072056700000000, -0.0000006500000000 ] - [ -0.0000741400000000, -0.0072056700000000, -0.0000006500000000 ] - [ -0.0000489000000000, -0.0071999000000000, 0.0000041100000000 ] - [ 0.0000000000000000, 0.0211429000000000, -0.0627684300000000 ] - [ 0.0000380900000000, 0.0088281400000000, 0.0056271700000000 ] - [ 0.0000000000000000, 0.0089333100000000, 0.0061833800000000 ] - [ -0.0000380900000000, 0.0088281400000000, 0.0056271700000000 ] - [ -0.0002108900000000, -0.0083562200000000, 0.0076873700000000 ] - [ 0.0000005900000000, -0.0088404100000000, 0.0065658000000000 ] - [ -0.0000005900000000, -0.0088404100000000, 0.0065658000000000 ] - [ 0.0002108900000000, -0.0083562200000000, 0.0076873700000000 ] - [ 0.0037411900000000, -0.0089921300000000, -0.0028267200000000 ] - [ 0.0002398900000000, -0.0087950000000000, -0.0064727600000000 ] - [ -0.0002398900000000, -0.0087950000000000, -0.0064727600000000 ] - [ -0.0037411900000000, -0.0089921300000000, -0.0028267200000000 ] - [ 0.0000000000000000, 0.0092596400000000, -0.0000811400000000 ] - [ -0.0002775200000000, 0.0090260100000000, -0.0060708200000000 ] - [ 0.0000000000000000, 0.0090229600000000, -0.0063391600000000 ] - [ 0.0002775200000000, 0.0090260100000000, -0.0060708200000000 ] - [ 0.0000621300000000, -0.0000005300000000, 0.0003544500000000 ] - [ 0.0000110700000000, -0.0000598200000000, 0.0001038900000000 ] - [ -0.0000110700000000, -0.0000598200000000, 0.0001038900000000 ] - [ -0.0000621300000000, -0.0000005300000000, 0.0003544500000000 ] - [ 0.0008616900000000, -0.0010943400000000, -0.0005439700000000 ] - [ 0.0002208900000000, -0.0001866500000000, -0.0001303200000000 ] - [ -0.0002208900000000, -0.0001866500000000, -0.0001303200000000 ] - [ -0.0008616900000000, -0.0010943400000000, -0.0005439700000000 ] - [ 0.0000000000000000, -0.0089839300000000, 0.0057640300000000 ] - [ 0.0002221600000000, -0.0088771900000000, 0.0004278400000000 ] - [ 0.0000000000000000, -0.0086815400000000, 0.0000971400000000 ] - [ -0.0002221600000000, -0.0088771900000000, 0.0004278400000000 ] - [ -0.0038504500000000, 0.0045873200000000, 0.0027792900000000 ] - [ -0.0001254600000000, 0.0087955700000000, -0.0001459400000000 ] - [ 0.0001254600000000, 0.0087955700000000, -0.0001459400000000 ] - [ 0.0038504500000000, 0.0045873200000000, 0.0027792900000000 ] - [ 0.0000342300000000, 0.0087794700000000, 0.0061354500000000 ] - [ 0.0000117400000000, 0.0087989500000000, 0.0062077500000000 ] - [ -0.0000117400000000, 0.0087989500000000, 0.0062077500000000 ] - [ -0.0000342300000000, 0.0087794700000000, 0.0061354500000000 ] - [ 0.0000000000000000, -0.0090211000000000, 0.0065607200000000 ] - [ -0.0000079600000000, -0.0090022500000000, 0.0065061900000000 ] - [ 0.0000000000000000, -0.0089966200000000, 0.0064784700000000 ] - [ 0.0000079600000000, -0.0090022500000000, 0.0065061900000000 ] - [ 0.0000000000000000, -0.0088115900000000, -0.0062717100000000 ] - [ 0.0001218000000000, -0.0089088300000000, -0.0063616700000000 ] - [ 0.0000000000000000, -0.0089087300000000, -0.0064097400000000 ] - [ -0.0001218000000000, -0.0089088300000000, -0.0063616700000000 ] - [ -0.0000334900000000, 0.0088180800000000, -0.0062915800000000 ] - [ -0.0000532300000000, 0.0088627900000000, -0.0063309900000000 ] - [ 0.0000532300000000, 0.0088627900000000, -0.0063309900000000 ] - [ 0.0000334900000000, 0.0088180800000000, -0.0062915800000000 ] - [ 0.0000000000000000, -0.0003572700000000, 0.0003372000000000 ] - [ -0.0004374500000000, -0.0002961100000000, 0.0004263300000000 ] - [ 0.0000000000000000, -0.0000681600000000, 0.0000655100000000 ] - [ 0.0004374500000000, -0.0002961100000000, 0.0004263300000000 ] - [ 0.0000000000000000, 0.0013748800000000, 0.0000218400000000 ] - [ 0.0005254700000000, 0.0004861100000000, 0.0001821600000000 ] - [ 0.0000000000000000, -0.0000917900000000, -0.0001414900000000 ] - [ -0.0005254700000000, 0.0004861100000000, 0.0001821600000000 ] - [ 0.0000198000000000, -0.0086615500000000, 0.0001855600000000 ] - [ 0.0000269200000000, -0.0086873600000000, 0.0001289700000000 ] - [ -0.0000269200000000, -0.0086873600000000, 0.0001289700000000 ] - [ -0.0000198000000000, -0.0086615500000000, 0.0001855600000000 ] - [ 0.0000000000000000, 0.0089698200000000, -0.0001456200000000 ] - [ -0.0001668000000000, 0.0089537000000000, -0.0001783000000000 ] - [ 0.0000000000000000, 0.0087217800000000, -0.0000609100000000 ] - [ 0.0001668000000000, 0.0089537000000000, -0.0001783000000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0069925800000000, 0.0003141900000000 ] - [ 0.0001552600000000, 0.0068842200000000, 0.0002163200000000 ] - [ 0.0000000000000000, 0.0067138800000000, 0.0000574800000000 ] - [ -0.0001552600000000, 0.0068842200000000, 0.0002163200000000 ] - [ 0.0023006700000000, -0.0085097600000000, -0.0025968000000000 ] - [ -0.0001284200000000, -0.0066392900000000, -0.0000593400000000 ] - [ 0.0001284200000000, -0.0066392900000000, -0.0000593400000000 ] - [ -0.0023006700000000, -0.0085097600000000, -0.0025968000000000 ] - [ 0.0001130100000000, 0.0064407800000000, 0.0000677000000000 ] - [ 0.0000196700000000, 0.0066113400000000, 0.0000355200000000 ] - [ -0.0000196700000000, 0.0066113400000000, 0.0000355200000000 ] - [ -0.0001130100000000, 0.0064407800000000, 0.0000677000000000 ] - [ 0.0000000000000000, -0.0071685800000000, -0.0002314600000000 ] - [ -0.0000699200000000, -0.0068307400000000, -0.0001443000000000 ] - [ 0.0000000000000000, -0.0066924200000000, -0.0000346900000000 ] - [ 0.0000699200000000, -0.0068307400000000, -0.0001443000000000 ] - [ 0.0000000000000000, 0.0068219200000000, -0.0010205200000000 ] - [ 0.0001041300000000, 0.0055551900000000, -0.0035835800000000 ] - [ 0.0000000000000000, 0.0054264200000000, -0.0040492300000000 ] - [ -0.0001041300000000, 0.0055551900000000, -0.0035835800000000 ] - [ -0.0062074200000000, -0.0109254400000000, -0.0106958300000000 ] - [ 0.0000176200000000, -0.0054689500000000, -0.0047023700000000 ] - [ -0.0000176200000000, -0.0054689500000000, -0.0047023700000000 ] - [ 0.0062074200000000, -0.0109254400000000, -0.0106958300000000 ] - [ -0.0015380500000000, -0.0050962700000000, 0.0065995400000000 ] - [ -0.0002620600000000, -0.0053164500000000, 0.0043771800000000 ] - [ 0.0002620600000000, -0.0053164500000000, 0.0043771800000000 ] - [ 0.0015380500000000, -0.0050962700000000, 0.0065995400000000 ] - [ 0.0000000000000000, 0.0148603200000000, -0.0111443600000000 ] - [ 0.0012288300000000, 0.0047655200000000, 0.0034929300000000 ] - [ 0.0000000000000000, 0.0053768200000000, 0.0041797900000000 ] - [ -0.0012288300000000, 0.0047655200000000, 0.0034929300000000 ] - [ -0.0000323400000000, 0.0050853200000000, -0.0038440200000000 ] - [ -0.0001532500000000, 0.0051896300000000, -0.0040280300000000 ] - [ 0.0001532500000000, 0.0051896300000000, -0.0040280300000000 ] - [ 0.0000323400000000, 0.0050853200000000, -0.0038440200000000 ] - [ 0.0000000000000000, -0.0057683800000000, -0.0049522100000000 ] - [ 0.0003012000000000, -0.0057112300000000, -0.0047403500000000 ] - [ 0.0000000000000000, -0.0055716300000000, -0.0044199900000000 ] - [ -0.0003012000000000, -0.0057112300000000, -0.0047403500000000 ] - [ 0.0000000000000000, -0.0054227300000000, 0.0045070600000000 ] - [ -0.0000461600000000, -0.0054783600000000, 0.0043865400000000 ] - [ 0.0000000000000000, -0.0054827800000000, 0.0042926900000000 ] - [ 0.0000461600000000, -0.0054783600000000, 0.0043865400000000 ] - [ 0.0002546400000000, 0.0057552200000000, 0.0044446200000000 ] - [ 0.0002089700000000, 0.0054593200000000, 0.0042633600000000 ] - [ -0.0002089700000000, 0.0054593200000000, 0.0042633600000000 ] - [ -0.0002546400000000, 0.0057552200000000, 0.0044446200000000 ] - [ -0.0002896600000000, 0.0071016200000000, 0.0000942600000000 ] - [ 0.0000752700000000, 0.0072672300000000, 0.0000185800000000 ] - [ -0.0000752700000000, 0.0072672300000000, 0.0000185800000000 ] - [ 0.0002896600000000, 0.0071016200000000, 0.0000942600000000 ] - [ 0.0000000000000000, 0.0025900500000000, -0.0159744000000000 ] - [ -0.0004076700000000, -0.0069778200000000, 0.0000523300000000 ] - [ 0.0000000000000000, -0.0070670500000000, -0.0000077900000000 ] - [ 0.0004076700000000, -0.0069778200000000, 0.0000523300000000 ] - [ 0.0000000000000000, 0.0071826400000000, -0.0000036000000000 ] - [ 0.0000103000000000, 0.0071663300000000, -0.0000103500000000 ] - [ 0.0000000000000000, 0.0071926800000000, -0.0000040100000000 ] - [ -0.0000103000000000, 0.0071663300000000, -0.0000103500000000 ] - [ -0.0000495300000000, -0.0071488700000000, -0.0000055800000000 ] - [ -0.0000745500000000, -0.0071436400000000, -0.0000010200000000 ] - [ 0.0000745500000000, -0.0071436400000000, -0.0000010200000000 ] - [ 0.0000495300000000, -0.0071488700000000, -0.0000055800000000 ] - [ 0.0000000000000000, -0.0034607200000000, 0.0759646200000000 ] - [ -0.0000457700000000, 0.0090165100000000, 0.0071446700000000 ] - [ 0.0000000000000000, 0.0089097100000000, 0.0065877800000000 ] - [ 0.0000457700000000, 0.0090165100000000, 0.0071446700000000 ] - [ 0.0002154100000000, -0.0094828200000000, 0.0050919700000000 ] - [ 0.0000003100000000, -0.0089991300000000, 0.0062101400000000 ] - [ -0.0000003100000000, -0.0089991300000000, 0.0062101400000000 ] - [ -0.0002154100000000, -0.0094828200000000, 0.0050919700000000 ] - [ -0.0036952400000000, -0.0088486600000000, -0.0099041400000000 ] - [ -0.0002382200000000, -0.0090435800000000, -0.0063033100000000 ] - [ 0.0002382200000000, -0.0090435800000000, -0.0063033100000000 ] - [ 0.0036952400000000, -0.0088486600000000, -0.0099041400000000 ] - [ 0.0000000000000000, 0.0085807500000000, -0.0127699700000000 ] - [ 0.0002777100000000, 0.0088168100000000, -0.0067020400000000 ] - [ 0.0000000000000000, 0.0088196900000000, -0.0064328000000000 ] - [ -0.0002777100000000, 0.0088168100000000, -0.0067020400000000 ] - [ -0.0000608100000000, -0.0000013000000000, -0.0003528400000000 ] - [ -0.0000101800000000, 0.0000590700000000, -0.0001036100000000 ] - [ 0.0000101800000000, 0.0000590700000000, -0.0001036100000000 ] - [ 0.0000608100000000, -0.0000013000000000, -0.0003528400000000 ] - [ -0.0008565900000000, 0.0010883800000000, 0.0005380500000000 ] - [ -0.0002192000000000, 0.0001859800000000, 0.0001300600000000 ] - [ 0.0002192000000000, 0.0001859800000000, 0.0001300600000000 ] - [ 0.0008565900000000, 0.0010883800000000, 0.0005380500000000 ] - [ 0.0000000000000000, -0.0084498400000000, -0.0057315900000000 ] - [ -0.0002209800000000, -0.0085660300000000, -0.0004289300000000 ] - [ 0.0000000000000000, -0.0087617500000000, -0.0000996500000000 ] - [ 0.0002209800000000, -0.0085660300000000, -0.0004289300000000 ] - [ 0.0038738000000000, 0.0128700400000000, -0.0027801500000000 ] - [ 0.0001259000000000, 0.0086450500000000, 0.0001495200000000 ] - [ -0.0001259000000000, 0.0086450500000000, 0.0001495200000000 ] - [ -0.0038738000000000, 0.0128700400000000, -0.0027801500000000 ] - [ -0.0000340900000000, 0.0090560600000000, 0.0066419800000000 ] - [ -0.0000111700000000, 0.0090389300000000, 0.0065686500000000 ] - [ 0.0000111700000000, 0.0090389300000000, 0.0065686500000000 ] - [ 0.0000340900000000, 0.0090560600000000, 0.0066419800000000 ] - [ 0.0000000000000000, -0.0088181300000000, 0.0062168400000000 ] - [ 0.0000084000000000, -0.0088372600000000, 0.0062706500000000 ] - [ 0.0000000000000000, -0.0088425600000000, 0.0062967000000000 ] - [ -0.0000084000000000, -0.0088372600000000, 0.0062706500000000 ] - [ 0.0000000000000000, -0.0090297000000000, -0.0065057500000000 ] - [ -0.0001216700000000, -0.0089328400000000, -0.0064156000000000 ] - [ 0.0000000000000000, -0.0089330800000000, -0.0063663800000000 ] - [ 0.0001216700000000, -0.0089328400000000, -0.0064156000000000 ] - [ 0.0000334500000000, 0.0090193800000000, -0.0064861000000000 ] - [ 0.0000534200000000, 0.0089762600000000, -0.0064451000000000 ] - [ -0.0000534200000000, 0.0089762600000000, -0.0064451000000000 ] - [ -0.0000334500000000, 0.0090193800000000, -0.0064861000000000 ] - [ 0.0000000000000000, 0.0003567500000000, -0.0003347900000000 ] - [ 0.0004374500000000, 0.0002965800000000, -0.0004255200000000 ] - [ 0.0000000000000000, 0.0000679200000000, -0.0000653400000000 ] - [ -0.0004374500000000, 0.0002965800000000, -0.0004255200000000 ] - [ 0.0000000000000000, -0.0013823000000000, -0.0000297400000000 ] - [ -0.0005412300000000, -0.0005040700000000, -0.0001902700000000 ] - [ 0.0000000000000000, 0.0000895500000000, 0.0001401600000000 ] - [ 0.0005412300000000, -0.0005040700000000, -0.0001902700000000 ] - [ -0.0000196400000000, -0.0087835900000000, -0.0001892700000000 ] - [ -0.0000261400000000, -0.0087574100000000, -0.0001324400000000 ] - [ 0.0000261400000000, -0.0087574100000000, -0.0001324400000000 ] - [ 0.0000196400000000, -0.0087835900000000, -0.0001892700000000 ] - [ 0.0000000000000000, 0.0084755900000000, 0.0001480500000000 ] - [ 0.0001694900000000, 0.0084893800000000, 0.0001811100000000 ] - [ 0.0000000000000000, 0.0087210800000000, 0.0000633000000000 ] - [ -0.0001694900000000, 0.0084893800000000, 0.0001811100000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001885600000000, 0.0067655700000000, -0.0000757900000000 ] - [ 0.0001888800000000, 0.0065735500000000, 0.0000764600000000 ] - [ -0.0002185600000000, 0.0065687900000000, 0.0001313800000000 ] - [ -0.0002187800000000, 0.0067708300000000, -0.0001301000000000 ] - [ 0.0013252200000000, -0.0066683100000000, 0.0000042700000000 ] - [ -0.0001745700000000, -0.0068999500000000, -0.0003626700000000 ] - [ -0.0002256100000000, -0.0066716400000000, -0.0000007700000000 ] - [ -0.0001754400000000, -0.0064413100000000, 0.0003603000000000 ] - [ 0.0013252200000000, 0.0066683100000000, -0.0000042700000000 ] - [ -0.0001745700000000, 0.0068999500000000, 0.0003626700000000 ] - [ -0.0002256100000000, 0.0066716400000000, 0.0000007700000000 ] - [ -0.0001754400000000, 0.0064413100000000, -0.0003603000000000 ] - [ 0.0001885600000000, -0.0067655700000000, 0.0000757900000000 ] - [ 0.0001888800000000, -0.0065735500000000, -0.0000764600000000 ] - [ -0.0002185600000000, -0.0065687900000000, -0.0001313800000000 ] - [ -0.0002187800000000, -0.0067708300000000, 0.0001301000000000 ] - [ 0.0074584100000000, 0.0037302800000000, -0.0035392200000000 ] - [ 0.0077729400000000, 0.0073968900000000, -0.0051406800000000 ] - [ -0.0036987100000000, 0.0047374900000000, -0.0039008100000000 ] - [ -0.0036873600000000, 0.0060296400000000, -0.0046193700000000 ] - [ 0.0006233800000000, -0.0053899700000000, -0.0042628100000000 ] - [ -0.0000476400000000, -0.0055041000000000, -0.0042565700000000 ] - [ -0.0005219800000000, -0.0053907300000000, -0.0042643300000000 ] - [ -0.0000509900000000, -0.0052766100000000, -0.0042702000000000 ] - [ 0.0017078900000000, -0.0053901000000000, 0.0042613300000000 ] - [ -0.0003092900000000, -0.0061156300000000, 0.0034748500000000 ] - [ -0.0009716400000000, -0.0053912100000000, 0.0042636400000000 ] - [ -0.0003136700000000, -0.0046644800000000, 0.0050501700000000 ] - [ 0.0006086900000000, 0.0056524900000000, 0.0033766300000000 ] - [ 0.0006115100000000, 0.0051299600000000, 0.0051526900000000 ] - [ -0.0006072600000000, 0.0054145700000000, 0.0045447400000000 ] - [ -0.0006076800000000, 0.0053664000000000, 0.0039845600000000 ] - [ 0.0017078900000000, 0.0053901000000000, -0.0042613300000000 ] - [ -0.0003092900000000, 0.0061156300000000, -0.0034748500000000 ] - [ -0.0009716400000000, 0.0053912100000000, -0.0042636400000000 ] - [ -0.0003136700000000, 0.0046644800000000, -0.0050501700000000 ] - [ 0.0006086900000000, -0.0056524900000000, -0.0033766300000000 ] - [ 0.0006115100000000, -0.0051299600000000, -0.0051526900000000 ] - [ -0.0006072600000000, -0.0054145700000000, -0.0045447400000000 ] - [ -0.0006076800000000, -0.0053664000000000, -0.0039845600000000 ] - [ 0.0074584100000000, -0.0037302800000000, 0.0035392200000000 ] - [ 0.0077729400000000, -0.0073968900000000, 0.0051406800000000 ] - [ -0.0036987100000000, -0.0047374900000000, 0.0039008100000000 ] - [ -0.0036873600000000, -0.0060296400000000, 0.0046193700000000 ] - [ 0.0006233800000000, 0.0053899700000000, 0.0042628100000000 ] - [ -0.0000476400000000, 0.0055041000000000, 0.0042565700000000 ] - [ -0.0005219800000000, 0.0053907300000000, 0.0042643300000000 ] - [ -0.0000509900000000, 0.0052766100000000, 0.0042702000000000 ] - [ 0.0001664900000000, 0.0071695300000000, 0.0000015600000000 ] - [ -0.0000100200000000, 0.0072563300000000, -0.0001313400000000 ] - [ -0.0001402000000000, 0.0071705700000000, 0.0000007200000000 ] - [ -0.0000122700000000, 0.0070874700000000, 0.0001326100000000 ] - [ 0.0000389700000000, -0.0069541400000000, 0.0001879300000000 ] - [ 0.0000398100000000, -0.0073884400000000, -0.0001896800000000 ] - [ -0.0000101600000000, -0.0072471300000000, -0.0000193000000000 ] - [ -0.0000098100000000, -0.0070956400000000, 0.0000176200000000 ] - [ 0.0000389700000000, 0.0069541400000000, -0.0001879300000000 ] - [ 0.0000398100000000, 0.0073884400000000, 0.0001896800000000 ] - [ -0.0000101600000000, 0.0072471300000000, 0.0000193000000000 ] - [ -0.0000098100000000, 0.0070956400000000, -0.0000176200000000 ] - [ 0.0001664900000000, -0.0071695300000000, -0.0000015600000000 ] - [ -0.0000100200000000, -0.0072563300000000, 0.0001313400000000 ] - [ -0.0001402000000000, -0.0071705700000000, -0.0000007200000000 ] - [ -0.0000122700000000, -0.0070874700000000, -0.0001326100000000 ] - [ -0.0002722000000000, 0.0087618300000000, 0.0064465900000000 ] - [ -0.0002742400000000, 0.0090729000000000, 0.0063239300000000 ] - [ 0.0002418600000000, 0.0090064700000000, 0.0063746400000000 ] - [ 0.0002424100000000, 0.0088307100000000, 0.0063962800000000 ] - [ -0.0024493500000000, -0.0089187900000000, 0.0063867500000000 ] - [ 0.0040754000000000, -0.0065792600000000, 0.0058506900000000 ] - [ 0.0018556000000000, -0.0089166400000000, 0.0063841500000000 ] - [ 0.0040699000000000, -0.0112540600000000, 0.0069154600000000 ] - [ -0.0005411800000000, -0.0089187600000000, -0.0063850000000000 ] - [ 0.0001978600000000, -0.0087525500000000, -0.0068237800000000 ] - [ 0.0003947500000000, -0.0089185200000000, -0.0063854000000000 ] - [ 0.0001996700000000, -0.0090857800000000, -0.0059467400000000 ] - [ -0.0002646600000000, 0.0070214700000000, -0.0072434300000000 ] - [ -0.0002690000000000, 0.0108113000000000, -0.0055253200000000 ] - [ 0.0004162500000000, 0.0091833800000000, -0.0061646700000000 ] - [ 0.0004168600000000, 0.0086554100000000, -0.0066051700000000 ] - [ -0.0510236100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0065626000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0029995500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0065059500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0007636000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001337900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005358500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001352400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000692600000000, -0.0091268200000000, 0.0022570100000000 ] - [ -0.0000734600000000, -0.0083184600000000, -0.0022615700000000 ] - [ 0.0002738500000000, -0.0086856600000000, -0.0003481700000000 ] - [ 0.0002743000000000, -0.0087567500000000, 0.0003428600000000 ] - [ -0.0003952900000000, 0.0087224400000000, 0.0000012600000000 ] - [ 0.0001350800000000, 0.0088673500000000, 0.0002723600000000 ] - [ 0.0002882700000000, 0.0087222300000000, 0.0000016500000000 ] - [ 0.0001354100000000, 0.0085760500000000, -0.0002697700000000 ] - [ -0.0005411800000000, 0.0089187600000000, 0.0063850000000000 ] - [ 0.0001978600000000, 0.0087525500000000, 0.0068237800000000 ] - [ 0.0003947500000000, 0.0089185200000000, 0.0063854000000000 ] - [ 0.0001996700000000, 0.0090857800000000, 0.0059467400000000 ] - [ -0.0002646600000000, -0.0070214700000000, 0.0072434300000000 ] - [ -0.0002690000000000, -0.0108113000000000, 0.0055253200000000 ] - [ 0.0004162500000000, -0.0091833800000000, 0.0061646700000000 ] - [ 0.0004168600000000, -0.0086554100000000, 0.0066051700000000 ] - [ -0.0002722000000000, -0.0087618300000000, -0.0064465900000000 ] - [ -0.0002742400000000, -0.0090729000000000, -0.0063239300000000 ] - [ 0.0002418600000000, -0.0090064700000000, -0.0063746400000000 ] - [ 0.0002424100000000, -0.0088307100000000, -0.0063962800000000 ] - [ -0.0024493500000000, 0.0089187900000000, -0.0063867500000000 ] - [ 0.0040754000000000, 0.0065792600000000, -0.0058506900000000 ] - [ 0.0018556000000000, 0.0089166400000000, -0.0063841500000000 ] - [ 0.0040699000000000, 0.0112540600000000, -0.0069154600000000 ] - [ -0.0006163100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0006177700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0007546000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0007549800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002962600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002967700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002872300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002887400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0003952900000000, -0.0087224400000000, -0.0000012600000000 ] - [ 0.0001350800000000, -0.0088673500000000, -0.0002723600000000 ] - [ 0.0002882700000000, -0.0087222300000000, -0.0000016500000000 ] - [ 0.0001354100000000, -0.0085760500000000, 0.0002697700000000 ] - [ -0.0000692600000000, 0.0091268200000000, -0.0022570100000000 ] - [ -0.0000734600000000, 0.0083184600000000, 0.0022615700000000 ] - [ 0.0002738500000000, 0.0086856600000000, 0.0003481700000000 ] - [ 0.0002743000000000, 0.0087567500000000, -0.0003428600000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000960900000000, 0.0060825600000000, 0.0002939200000000 ] - [ -0.0000960900000000, 0.0060825600000000, 0.0002939200000000 ] - [ -0.0000909500000000, 0.0063791900000000, 0.0001122800000000 ] - [ 0.0000909500000000, 0.0063791900000000, 0.0001122800000000 ] - [ 0.0000000000000000, -0.0055762600000000, -0.0004124100000000 ] - [ -0.0001150800000000, -0.0063025900000000, -0.0001159500000000 ] - [ 0.0000000000000000, -0.0065055500000000, -0.0000227100000000 ] - [ 0.0001150800000000, -0.0063025900000000, -0.0001159500000000 ] - [ 0.0000000000000000, 0.0077484100000000, -0.0004281800000000 ] - [ 0.0001161300000000, 0.0070314200000000, -0.0001159500000000 ] - [ 0.0000000000000000, 0.0068292700000000, -0.0000221700000000 ] - [ -0.0001161300000000, 0.0070314200000000, -0.0001159500000000 ] - [ -0.0000944100000000, -0.0072512800000000, 0.0002912100000000 ] - [ 0.0000944100000000, -0.0072512800000000, 0.0002912100000000 ] - [ 0.0000910400000000, -0.0069561100000000, 0.0001116400000000 ] - [ -0.0000910400000000, -0.0069561100000000, 0.0001116400000000 ] - [ -0.0022622600000000, 0.0128225600000000, -0.0064955100000000 ] - [ 0.0022622600000000, 0.0128225600000000, -0.0064955100000000 ] - [ -0.0007819300000000, 0.0064442000000000, -0.0047983200000000 ] - [ 0.0007819300000000, 0.0064442000000000, -0.0047983200000000 ] - [ 0.0000000000000000, -0.0058543100000000, -0.0044071800000000 ] - [ -0.0002237200000000, -0.0057710900000000, -0.0043624400000000 ] - [ 0.0000000000000000, -0.0056259800000000, -0.0042993600000000 ] - [ 0.0002237200000000, -0.0057710900000000, -0.0043624400000000 ] - [ 0.0000000000000000, -0.0075077900000000, 0.0034581500000000 ] - [ -0.0006903000000000, -0.0068005100000000, 0.0036413200000000 ] - [ 0.0000000000000000, -0.0058442100000000, 0.0041931800000000 ] - [ 0.0006903000000000, -0.0068005100000000, 0.0036413200000000 ] - [ 0.0001499200000000, 0.0057255300000000, 0.0051925700000000 ] - [ -0.0001499200000000, 0.0057255300000000, 0.0051925700000000 ] - [ -0.0001940200000000, 0.0057114700000000, 0.0046201100000000 ] - [ 0.0001940200000000, 0.0057114700000000, 0.0046201100000000 ] - [ 0.0000000000000000, 0.0032708800000000, -0.0050524700000000 ] - [ 0.0006893900000000, 0.0039786200000000, -0.0048777700000000 ] - [ 0.0000000000000000, 0.0049353100000000, -0.0043275800000000 ] - [ -0.0006893900000000, 0.0039786200000000, -0.0048777700000000 ] - [ -0.0001491500000000, -0.0050559200000000, -0.0033256500000000 ] - [ 0.0001491500000000, -0.0050559200000000, -0.0033256500000000 ] - [ 0.0001949800000000, -0.0050682700000000, -0.0038992500000000 ] - [ -0.0001949800000000, -0.0050682700000000, -0.0038992500000000 ] - [ 0.0019539600000000, 0.0018078100000000, 0.0021642800000000 ] - [ -0.0019539600000000, 0.0018078100000000, 0.0021642800000000 ] - [ 0.0007839500000000, -0.0043389700000000, 0.0037211100000000 ] - [ -0.0007839500000000, -0.0043389700000000, 0.0037211100000000 ] - [ 0.0000000000000000, 0.0049241700000000, 0.0041131100000000 ] - [ 0.0002239800000000, 0.0050076500000000, 0.0041585900000000 ] - [ 0.0000000000000000, 0.0051536100000000, 0.0042206600000000 ] - [ -0.0002239800000000, 0.0050076500000000, 0.0041585900000000 ] - [ 0.0000000000000000, 0.0075328400000000, -0.0002162100000000 ] - [ 0.0000462200000000, 0.0071303800000000, -0.0000284800000000 ] - [ 0.0000000000000000, 0.0071022600000000, 0.0000253000000000 ] - [ -0.0000462200000000, 0.0071303800000000, -0.0000284800000000 ] - [ 0.0000196600000000, -0.0073413300000000, -0.0001809400000000 ] - [ -0.0000196600000000, -0.0073413300000000, -0.0001809400000000 ] - [ 0.0000000700000000, -0.0071553700000000, 0.0000010300000000 ] - [ -0.0000000700000000, -0.0071553700000000, 0.0000010300000000 ] - [ -0.0000199000000000, 0.0070075100000000, -0.0001789600000000 ] - [ 0.0000199000000000, 0.0070075100000000, -0.0001789600000000 ] - [ -0.0000006700000000, 0.0071937200000000, 0.0000025000000000 ] - [ 0.0000006700000000, 0.0071937200000000, 0.0000025000000000 ] - [ 0.0000000000000000, -0.0068178500000000, -0.0002181100000000 ] - [ -0.0000453000000000, -0.0072210000000000, -0.0000300400000000 ] - [ 0.0000000000000000, -0.0072482100000000, 0.0000241600000000 ] - [ 0.0000453000000000, -0.0072210000000000, -0.0000300400000000 ] - [ -0.0001133300000000, 0.0090565400000000, 0.0063867000000000 ] - [ 0.0001133300000000, 0.0090565400000000, 0.0063867000000000 ] - [ 0.0000947400000000, 0.0089364700000000, 0.0063268100000000 ] - [ -0.0000947400000000, 0.0089364700000000, 0.0063268100000000 ] - [ 0.0000000000000000, -0.0053023000000000, 0.0049980800000000 ] - [ 0.0032874600000000, -0.0062538100000000, 0.0058901400000000 ] - [ 0.0000000000000000, -0.0089025600000000, 0.0064763000000000 ] - [ -0.0032874600000000, -0.0062538100000000, 0.0058901400000000 ] - [ 0.0000000000000000, -0.0089192200000000, -0.0067433400000000 ] - [ 0.0002320600000000, -0.0088462600000000, -0.0066827100000000 ] - [ 0.0000000000000000, -0.0089376400000000, -0.0064537100000000 ] - [ -0.0002320600000000, -0.0088462600000000, -0.0066827100000000 ] - [ -0.0006230400000000, 0.0108593600000000, -0.0052922900000000 ] - [ 0.0006230400000000, 0.0108593600000000, -0.0052922900000000 ] - [ 0.0002300100000000, 0.0089565900000000, -0.0062001700000000 ] - [ -0.0002300100000000, 0.0089565900000000, -0.0062001700000000 ] - [ 0.0000000000000000, -0.0488113700000000, 0.0174128400000000 ] - [ -0.0000013900000000, -0.0023310400000000, 0.0007000300000000 ] - [ 0.0000000000000000, -0.0005721500000000, 0.0003523200000000 ] - [ 0.0000013900000000, -0.0023310400000000, 0.0007000300000000 ] - [ 0.0000000000000000, -0.0006464000000000, -0.0003872600000000 ] - [ -0.0000003100000000, -0.0004871700000000, -0.0003130600000000 ] - [ 0.0000000000000000, -0.0003367200000000, -0.0002038800000000 ] - [ 0.0000003100000000, -0.0004871700000000, -0.0003130600000000 ] - [ -0.0002854700000000, -0.0090928400000000, -0.0014916600000000 ] - [ 0.0002854700000000, -0.0090928400000000, -0.0014916600000000 ] - [ 0.0001206100000000, -0.0088634300000000, -0.0001311300000000 ] - [ -0.0001206100000000, -0.0088634300000000, -0.0001311300000000 ] - [ 0.0000000000000000, 0.0091697300000000, 0.0004130400000000 ] - [ 0.0002080600000000, 0.0091078400000000, 0.0002775300000000 ] - [ 0.0000000000000000, 0.0089033900000000, 0.0000737800000000 ] - [ -0.0002080600000000, 0.0091078400000000, 0.0002775300000000 ] - [ 0.0000000000000000, 0.0089213800000000, 0.0060284100000000 ] - [ -0.0002328300000000, 0.0089923200000000, 0.0060904400000000 ] - [ 0.0000000000000000, 0.0089014000000000, 0.0063178700000000 ] - [ 0.0002328300000000, 0.0089923200000000, 0.0060904400000000 ] - [ 0.0006214500000000, -0.0069809100000000, 0.0074752200000000 ] - [ -0.0006214500000000, -0.0069809100000000, 0.0074752200000000 ] - [ -0.0002295000000000, -0.0088811800000000, 0.0065723600000000 ] - [ 0.0002295000000000, -0.0088811800000000, 0.0065723600000000 ] - [ 0.0001138000000000, -0.0087798800000000, -0.0063862300000000 ] - [ -0.0001138000000000, -0.0087798800000000, -0.0063862300000000 ] - [ -0.0000947700000000, -0.0089017600000000, -0.0064452500000000 ] - [ 0.0000947700000000, -0.0089017600000000, -0.0064452500000000 ] - [ 0.0000000000000000, 0.0124923500000000, -0.0077542900000000 ] - [ -0.0032857600000000, 0.0115749700000000, -0.0068809000000000 ] - [ 0.0000000000000000, 0.0089392200000000, -0.0062951300000000 ] - [ 0.0032857600000000, 0.0115749700000000, -0.0068809000000000 ] - [ -0.0000009000000000, 0.0013515600000000, -0.0002212900000000 ] - [ 0.0000009000000000, 0.0013515600000000, -0.0002212900000000 ] - [ 0.0000000400000000, 0.0008395200000000, -0.0001303200000000 ] - [ -0.0000000400000000, 0.0008395200000000, -0.0001303200000000 ] - [ -0.0000000900000000, 0.0004650400000000, 0.0001331700000000 ] - [ 0.0000000900000000, 0.0004650400000000, 0.0001331700000000 ] - [ -0.0000000500000000, 0.0003133700000000, 0.0000974800000000 ] - [ 0.0000000500000000, 0.0003133700000000, 0.0000974800000000 ] - [ 0.0000000000000000, -0.0082692000000000, 0.0004090000000000 ] - [ -0.0002072200000000, -0.0083318300000000, 0.0002744900000000 ] - [ 0.0000000000000000, -0.0085373800000000, 0.0000713400000000 ] - [ 0.0002072200000000, -0.0083318300000000, 0.0002744900000000 ] - [ 0.0002906700000000, 0.0083543000000000, -0.0014938300000000 ] - [ -0.0002906700000000, 0.0083543000000000, -0.0014938300000000 ] - [ -0.0001178700000000, 0.0085774700000000, -0.0001286200000000 ] - [ 0.0001178700000000, 0.0085774700000000, -0.0001286200000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001387700000000, 0.0070337800000000, -0.0000895400000000 ] - [ 0.0001387700000000, 0.0070337800000000, -0.0000895400000000 ] - [ 0.0001546400000000, 0.0068116500000000, -0.0000320600000000 ] - [ -0.0001546400000000, 0.0068116500000000, -0.0000320600000000 ] - [ 0.0000000000000000, -0.0073329400000000, 0.0002148100000000 ] - [ -0.0002236900000000, -0.0068557300000000, -0.0000450800000000 ] - [ 0.0000000000000000, -0.0067392900000000, 0.0000016300000000 ] - [ 0.0002236900000000, -0.0068557300000000, -0.0000450800000000 ] - [ 0.0000000000000000, 0.0059805800000000, 0.0001596200000000 ] - [ 0.0001948700000000, 0.0064436700000000, -0.0000449300000000 ] - [ 0.0000000000000000, 0.0065904100000000, 0.0000025400000000 ] - [ -0.0001948700000000, 0.0064436700000000, -0.0000449300000000 ] - [ 0.0000093800000000, -0.0064050100000000, -0.0001112100000000 ] - [ -0.0000093800000000, -0.0064050100000000, -0.0001112100000000 ] - [ -0.0000566300000000, -0.0065262100000000, -0.0000326500000000 ] - [ 0.0000566300000000, -0.0065262100000000, -0.0000326500000000 ] - [ 0.0011264200000000, 0.0032917600000000, -0.0010598400000000 ] - [ -0.0011264200000000, 0.0032917600000000, -0.0010598400000000 ] - [ 0.0003030200000000, 0.0049209300000000, -0.0038574800000000 ] - [ -0.0003030200000000, 0.0049209300000000, -0.0038574800000000 ] - [ 0.0000000000000000, -0.0052659100000000, -0.0044889000000000 ] - [ -0.0000328200000000, -0.0052406400000000, -0.0045095600000000 ] - [ 0.0000000000000000, -0.0052875500000000, -0.0043140600000000 ] - [ 0.0000328200000000, -0.0052406400000000, -0.0045095600000000 ] - [ 0.0000000000000000, -0.0051264300000000, 0.0050632400000000 ] - [ -0.0002078400000000, -0.0051601900000000, 0.0048447100000000 ] - [ 0.0000000000000000, -0.0052145200000000, 0.0043733300000000 ] - [ 0.0002078400000000, -0.0051601900000000, 0.0048447100000000 ] - [ 0.0000519000000000, 0.0054601700000000, 0.0030810300000000 ] - [ -0.0000519000000000, 0.0054601700000000, 0.0030810300000000 ] - [ 0.0000940000000000, 0.0051962400000000, 0.0039632800000000 ] - [ -0.0000940000000000, 0.0051962400000000, 0.0039632800000000 ] - [ 0.0000000000000000, 0.0056458900000000, -0.0034549000000000 ] - [ 0.0001802100000000, 0.0056042800000000, -0.0036661500000000 ] - [ 0.0000000000000000, 0.0055554300000000, -0.0041277000000000 ] - [ -0.0001802100000000, 0.0056042800000000, -0.0036661500000000 ] - [ 0.0000105300000000, -0.0053588800000000, -0.0054309700000000 ] - [ -0.0000105300000000, -0.0053588800000000, -0.0054309700000000 ] - [ -0.0001499200000000, -0.0056018700000000, -0.0045359000000000 ] - [ 0.0001499200000000, -0.0056018700000000, -0.0045359000000000 ] - [ -0.0010882300000000, -0.0075544800000000, 0.0074234200000000 ] - [ 0.0010882300000000, -0.0075544800000000, 0.0074234200000000 ] - [ -0.0003551900000000, -0.0058762900000000, 0.0046422900000000 ] - [ 0.0003551900000000, -0.0058762900000000, 0.0046422900000000 ] - [ 0.0000000000000000, 0.0055076600000000, 0.0040305500000000 ] - [ 0.0000042700000000, 0.0055253800000000, 0.0039981700000000 ] - [ 0.0000000000000000, 0.0054814500000000, 0.0041850400000000 ] - [ -0.0000042700000000, 0.0055253800000000, 0.0039981700000000 ] - [ 0.0000000000000000, 0.0069018200000000, 0.0003932300000000 ] - [ 0.0002099700000000, 0.0074354100000000, 0.0001273000000000 ] - [ 0.0000000000000000, 0.0072532600000000, -0.0000242400000000 ] - [ -0.0002099700000000, 0.0074354100000000, 0.0001273000000000 ] - [ 0.0000302500000000, -0.0071227900000000, -0.0000046000000000 ] - [ -0.0000302500000000, -0.0071227900000000, -0.0000046000000000 ] - [ -0.0000085200000000, -0.0071638200000000, 0.0000052300000000 ] - [ 0.0000085200000000, -0.0071638200000000, 0.0000052300000000 ] - [ 0.0000136200000000, 0.0072697500000000, -0.0000032900000000 ] - [ -0.0000136200000000, 0.0072697500000000, -0.0000032900000000 ] - [ -0.0000203200000000, 0.0071833500000000, 0.0000062000000000 ] - [ 0.0000203200000000, 0.0071833500000000, 0.0000062000000000 ] - [ 0.0000000000000000, -0.0073646100000000, 0.0003970400000000 ] - [ -0.0001680200000000, -0.0068687100000000, 0.0001282800000000 ] - [ 0.0000000000000000, -0.0070936200000000, -0.0000256900000000 ] - [ 0.0001680200000000, -0.0068687100000000, 0.0001282800000000 ] - [ -0.0000694700000000, 0.0088882400000000, 0.0067214600000000 ] - [ 0.0000694700000000, 0.0088882400000000, 0.0067214600000000 ] - [ -0.0000190800000000, 0.0089047200000000, 0.0064985500000000 ] - [ 0.0000190800000000, 0.0089047200000000, 0.0064985500000000 ] - [ 0.0000000000000000, -0.0107300900000000, 0.0065671200000000 ] - [ -0.0013690900000000, -0.0103330500000000, 0.0066631200000000 ] - [ 0.0000000000000000, -0.0088782100000000, 0.0062494500000000 ] - [ 0.0013690900000000, -0.0103330500000000, 0.0066631200000000 ] - [ 0.0000000000000000, -0.0092429700000000, -0.0062020900000000 ] - [ -0.0001323600000000, -0.0092372700000000, -0.0060507400000000 ] - [ 0.0000000000000000, -0.0089021900000000, -0.0063251000000000 ] - [ 0.0001323600000000, -0.0092372700000000, -0.0060507400000000 ] - [ -0.0001782300000000, 0.0093111600000000, -0.0069090700000000 ] - [ 0.0001782300000000, 0.0093111600000000, -0.0069090700000000 ] - [ -0.0000110700000000, 0.0088657700000000, -0.0065259900000000 ] - [ 0.0000110700000000, 0.0088657700000000, -0.0065259900000000 ] - [ 0.0000000000000000, 0.0174151700000000, -0.0189140800000000 ] - [ 0.0000075500000000, 0.0006946400000000, -0.0010893500000000 ] - [ 0.0000000000000000, 0.0003414100000000, -0.0000885600000000 ] - [ -0.0000075500000000, 0.0006946400000000, -0.0010893500000000 ] - [ 0.0000000000000000, 0.0003943000000000, 0.0005004200000000 ] - [ 0.0000097000000000, 0.0003083400000000, 0.0002720400000000 ] - [ 0.0000000000000000, 0.0001923800000000, 0.0001365000000000 ] - [ -0.0000097000000000, 0.0003083400000000, 0.0002720400000000 ] - [ 0.0006352600000000, -0.0093429800000000, 0.0015342400000000 ] - [ -0.0006352600000000, -0.0093429800000000, 0.0015342400000000 ] - [ -0.0000845200000000, -0.0087214400000000, 0.0000213300000000 ] - [ 0.0000845200000000, -0.0087214400000000, 0.0000213300000000 ] - [ 0.0000000000000000, 0.0085352600000000, -0.0000636300000000 ] - [ 0.0000621900000000, 0.0086157100000000, 0.0000190300000000 ] - [ 0.0000000000000000, 0.0085985300000000, -0.0000246900000000 ] - [ -0.0000621900000000, 0.0086157100000000, 0.0000190300000000 ] - [ 0.0000000000000000, 0.0088104800000000, 0.0067295600000000 ] - [ 0.0002230800000000, 0.0086994300000000, 0.0068308100000000 ] - [ 0.0000000000000000, 0.0089243200000000, 0.0064724300000000 ] - [ -0.0002230800000000, 0.0086994300000000, 0.0068308100000000 ] - [ 0.0001752300000000, -0.0084850300000000, 0.0058811800000000 ] - [ -0.0001752300000000, -0.0084850300000000, 0.0058811800000000 ] - [ 0.0000282900000000, -0.0089549200000000, 0.0062815300000000 ] - [ -0.0000282900000000, -0.0089549200000000, 0.0062815300000000 ] - [ 0.0000670300000000, -0.0089090300000000, -0.0060673300000000 ] - [ -0.0000670300000000, -0.0089090300000000, -0.0060673300000000 ] - [ 0.0000358800000000, -0.0089167200000000, -0.0063074000000000 ] - [ -0.0000358800000000, -0.0089167200000000, -0.0063074000000000 ] - [ 0.0000000000000000, 0.0073233000000000, -0.0063702800000000 ] - [ 0.0014529800000000, 0.0076120900000000, -0.0062184100000000 ] - [ 0.0000000000000000, 0.0089485300000000, -0.0065485400000000 ] - [ -0.0014529800000000, 0.0076120900000000, -0.0062184100000000 ] - [ -0.0000211000000000, -0.0001510700000000, 0.0000037900000000 ] - [ 0.0000211000000000, -0.0001510700000000, 0.0000037900000000 ] - [ 0.0000196700000000, -0.0001333600000000, -0.0000931700000000 ] - [ -0.0000196700000000, -0.0001333600000000, -0.0000931700000000 ] - [ -0.0000208800000000, -0.0000641100000000, -0.0000949900000000 ] - [ 0.0000208800000000, -0.0000641100000000, -0.0000949900000000 ] - [ 0.0000205500000000, -0.0001003500000000, 0.0000425300000000 ] - [ -0.0000205500000000, -0.0001003500000000, 0.0000425300000000 ] - [ 0.0000000000000000, -0.0086956200000000, -0.0000650500000000 ] - [ 0.0000056600000000, -0.0087197000000000, 0.0000178600000000 ] - [ 0.0000000000000000, -0.0088484300000000, -0.0000259400000000 ] - [ -0.0000056600000000, -0.0087197000000000, 0.0000178600000000 ] - [ -0.0006375900000000, 0.0081502900000000, 0.0015431500000000 ] - [ 0.0006375900000000, 0.0081502900000000, 0.0015431500000000 ] - [ 0.0001027300000000, 0.0087380100000000, 0.0000226700000000 ] - [ -0.0001027300000000, 0.0087380100000000, 0.0000226700000000 ]- atom: 89 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004611700000000, 0.0066699900000000, 0.0000000000000000 ] - [ -0.0002464100000000, 0.0063595100000000, 0.0000000000000000 ] - [ -0.0001575500000000, 0.0066688300000000, 0.0000000000000000 ] - [ -0.0002477100000000, 0.0069822800000000, 0.0000000000000000 ] - [ 0.0000602800000000, -0.0066693400000000, 0.0000000000000000 ] - [ -0.0000822900000000, -0.0066528000000000, 0.0000000000000000 ] - [ -0.0000824100000000, -0.0066866900000000, 0.0000000000000000 ] - [ 0.0000601300000000, -0.0066697900000000, 0.0000000000000000 ] - [ 0.0047113100000000, 0.0013303300000000, 0.0000000000000000 ] - [ -0.0002243900000000, 0.0068598500000000, 0.0000000000000000 ] - [ -0.0002231600000000, 0.0064802400000000, 0.0000000000000000 ] - [ 0.0046521500000000, 0.0118802100000000, 0.0000000000000000 ] - [ 0.0000956100000000, -0.0066698000000000, 0.0000000000000000 ] - [ -0.0000101200000000, -0.0067423400000000, 0.0000000000000000 ] - [ -0.0000484100000000, -0.0066694600000000, 0.0000000000000000 ] - [ -0.0000098800000000, -0.0065963800000000, 0.0000000000000000 ] - [ 0.0026077800000000, 0.0053657200000000, -0.0043448000000000 ] - [ -0.0000566300000000, 0.0058401000000000, -0.0049578400000000 ] - [ -0.0005254500000000, 0.0053909200000000, -0.0042666300000000 ] - [ -0.0000693200000000, 0.0049420800000000, -0.0035656000000000 ] - [ 0.0003013900000000, -0.0059442700000000, -0.0031752700000000 ] - [ -0.0003664200000000, -0.0055003900000000, -0.0041519000000000 ] - [ -0.0003691400000000, -0.0052817200000000, -0.0043773400000000 ] - [ 0.0002965400000000, -0.0048339900000000, -0.0053496400000000 ] - [ 0.0003013900000000, -0.0059442700000000, 0.0031752700000000 ] - [ -0.0003664200000000, -0.0055003900000000, 0.0041519000000000 ] - [ -0.0003691400000000, -0.0052817200000000, 0.0043773400000000 ] - [ 0.0002965400000000, -0.0048339900000000, 0.0053496400000000 ] - [ 0.0026077800000000, 0.0053657200000000, 0.0043448000000000 ] - [ -0.0000566300000000, 0.0058401000000000, 0.0049578400000000 ] - [ -0.0005254500000000, 0.0053909200000000, 0.0042666300000000 ] - [ -0.0000693200000000, 0.0049420800000000, 0.0035656000000000 ] - [ 0.0003088900000000, 0.0053983200000000, -0.0043030600000000 ] - [ -0.0003137300000000, 0.0053884700000000, -0.0042571600000000 ] - [ -0.0003131500000000, 0.0053965100000000, -0.0042724100000000 ] - [ 0.0003068900000000, 0.0053867100000000, -0.0042270400000000 ] - [ 0.0006761600000000, -0.0053923600000000, -0.0042661000000000 ] - [ -0.0001647500000000, -0.0051890000000000, -0.0040432900000000 ] - [ -0.0003249800000000, -0.0053926600000000, -0.0042645200000000 ] - [ -0.0001634900000000, -0.0055949000000000, -0.0044876900000000 ] - [ 0.0006761600000000, -0.0053923600000000, 0.0042661000000000 ] - [ -0.0001647500000000, -0.0051890000000000, 0.0040432900000000 ] - [ -0.0003249800000000, -0.0053926600000000, 0.0042645200000000 ] - [ -0.0001634900000000, -0.0055949000000000, 0.0044876900000000 ] - [ 0.0003088900000000, 0.0053983200000000, 0.0043030600000000 ] - [ -0.0003137300000000, 0.0053884700000000, 0.0042571600000000 ] - [ -0.0003131500000000, 0.0053965100000000, 0.0042724100000000 ] - [ 0.0003068900000000, 0.0053867100000000, 0.0042270400000000 ] - [ 0.0176059300000000, 0.0161232800000000, 0.0000000000000000 ] - [ -0.0004630300000000, 0.0066548800000000, 0.0000000000000000 ] - [ -0.0004635100000000, 0.0076832600000000, 0.0000000000000000 ] - [ 0.0166255500000000, -0.0010878900000000, 0.0000000000000000 ] - [ -0.0001328600000000, -0.0071714600000000, 0.0000000000000000 ] - [ 0.0000387900000000, -0.0072997700000000, 0.0000000000000000 ] - [ -0.0000350400000000, -0.0071734000000000, 0.0000000000000000 ] - [ 0.0000384900000000, -0.0070472200000000, 0.0000000000000000 ] - [ 0.0000541000000000, 0.0071737200000000, 0.0000000000000000 ] - [ 0.0000093500000000, 0.0072071200000000, 0.0000000000000000 ] - [ -0.0000380000000000, 0.0071744800000000, 0.0000000000000000 ] - [ 0.0000086200000000, 0.0071389100000000, 0.0000000000000000 ] - [ 0.0000174500000000, -0.0072097600000000, 0.0000000000000000 ] - [ -0.0000095700000000, -0.0071934100000000, 0.0000000000000000 ] - [ -0.0000091400000000, -0.0071519700000000, 0.0000000000000000 ] - [ 0.0000176900000000, -0.0071379800000000, 0.0000000000000000 ] - [ -0.0003462500000000, 0.0089099400000000, 0.0063904200000000 ] - [ 0.0001521500000000, 0.0090544700000000, 0.0061703700000000 ] - [ 0.0002342300000000, 0.0089199400000000, 0.0063884800000000 ] - [ 0.0001536500000000, 0.0087815300000000, 0.0066130700000000 ] - [ 0.0019344600000000, -0.0051359800000000, 0.0102683600000000 ] - [ 0.0002599800000000, -0.0088771500000000, 0.0065152700000000 ] - [ 0.0002619600000000, -0.0089650500000000, 0.0062572400000000 ] - [ 0.0019268100000000, -0.0126624300000000, 0.0025459800000000 ] - [ 0.0019344600000000, -0.0051359800000000, -0.0102683600000000 ] - [ 0.0002599800000000, -0.0088771500000000, -0.0065152700000000 ] - [ 0.0002619600000000, -0.0089650500000000, -0.0062572400000000 ] - [ 0.0019268100000000, -0.0126624300000000, -0.0025459800000000 ] - [ -0.0003462500000000, 0.0089099400000000, -0.0063904200000000 ] - [ 0.0001521500000000, 0.0090544700000000, -0.0061703700000000 ] - [ 0.0002342300000000, 0.0089199400000000, -0.0063884800000000 ] - [ 0.0001536500000000, 0.0087815300000000, -0.0066130700000000 ] - [ -0.0000693800000000, -0.0002866400000000, 0.0006454100000000 ] - [ 0.0002721700000000, -0.0001191200000000, 0.0001014900000000 ] - [ 0.0002732000000000, 0.0001194700000000, -0.0001019000000000 ] - [ -0.0000709100000000, 0.0002881300000000, -0.0006418100000000 ] - [ -0.0000693800000000, -0.0002866400000000, -0.0006454100000000 ] - [ 0.0002721700000000, -0.0001191200000000, -0.0001014900000000 ] - [ 0.0002732000000000, 0.0001194700000000, 0.0001019000000000 ] - [ -0.0000709100000000, 0.0002881300000000, 0.0006418100000000 ] - [ -0.0665816500000000, -0.0093063100000000, 0.0000000000000000 ] - [ 0.0045380500000000, -0.0081526500000000, 0.0000000000000000 ] - [ 0.0011069800000000, -0.0087219100000000, 0.0000000000000000 ] - [ 0.0044565000000000, -0.0092945300000000, 0.0000000000000000 ] - [ 0.0000935100000000, 0.0090028300000000, 0.0000000000000000 ] - [ 0.0000887100000000, 0.0087864000000000, 0.0000000000000000 ] - [ 0.0000842300000000, 0.0086669900000000, 0.0000000000000000 ] - [ 0.0000951900000000, 0.0084546800000000, 0.0000000000000000 ] - [ -0.0001468600000000, 0.0089229300000000, 0.0063696200000000 ] - [ 0.0001368400000000, 0.0089344900000000, 0.0063655600000000 ] - [ 0.0001363500000000, 0.0089053700000000, 0.0064118900000000 ] - [ -0.0001470700000000, 0.0089164800000000, 0.0064083000000000 ] - [ -0.0002454600000000, -0.0089199600000000, 0.0063880600000000 ] - [ 0.0000801400000000, -0.0091496300000000, 0.0065571800000000 ] - [ 0.0001871000000000, -0.0089163600000000, 0.0063934400000000 ] - [ 0.0000800500000000, -0.0086923500000000, 0.0062188000000000 ] - [ -0.0002454600000000, -0.0089199600000000, -0.0063880600000000 ] - [ 0.0000801400000000, -0.0091496300000000, -0.0065571800000000 ] - [ 0.0001871000000000, -0.0089163600000000, -0.0063934400000000 ] - [ 0.0000800500000000, -0.0086923500000000, -0.0062188000000000 ] - [ -0.0001468600000000, 0.0089229300000000, -0.0063696200000000 ] - [ 0.0001368400000000, 0.0089344900000000, -0.0063655600000000 ] - [ 0.0001363500000000, 0.0089053700000000, -0.0064118900000000 ] - [ -0.0001470700000000, 0.0089164800000000, -0.0064083000000000 ] - [ -0.0003958100000000, -0.0000010500000000, 0.0000001600000000 ] - [ 0.0001348500000000, 0.0002082300000000, 0.0000663200000000 ] - [ 0.0002887900000000, -0.0000005800000000, 0.0000005000000000 ] - [ 0.0001353800000000, -0.0002088700000000, -0.0000659100000000 ] - [ -0.0003958100000000, -0.0000010500000000, -0.0000001600000000 ] - [ 0.0001348500000000, 0.0002082300000000, -0.0000663200000000 ] - [ 0.0002887900000000, -0.0000005800000000, -0.0000005000000000 ] - [ 0.0001353800000000, -0.0002088700000000, 0.0000659100000000 ] - [ -0.0001047300000000, -0.0086825700000000, 0.0000000000000000 ] - [ 0.0000973800000000, -0.0087156300000000, 0.0000000000000000 ] - [ 0.0001084000000000, -0.0087407600000000, 0.0000000000000000 ] - [ -0.0001062300000000, -0.0087665000000000, 0.0000000000000000 ] - [ -0.0001128400000000, 0.0087258900000000, 0.0000000000000000 ] - [ 0.0000165000000000, 0.0086909300000000, 0.0000000000000000 ] - [ 0.0001169500000000, 0.0087253500000000, 0.0000000000000000 ] - [ 0.0000159900000000, 0.0087596400000000, 0.0000000000000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0057137300000000, 0.0000000000000000 ] - [ -0.0002297600000000, 0.0064728900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0066459900000000, 0.0000000000000000 ] - [ 0.0002297600000000, 0.0064728900000000, 0.0000000000000000 ] - [ 0.0000229600000000, -0.0065222300000000, 0.0000000000000000 ] - [ -0.0000154200000000, -0.0065635700000000, 0.0000000000000000 ] - [ 0.0000154200000000, -0.0065635700000000, 0.0000000000000000 ] - [ -0.0000229600000000, -0.0065222300000000, 0.0000000000000000 ] - [ -0.0055076100000000, 0.0125431500000000, 0.0000000000000000 ] - [ 0.0001923400000000, 0.0066884700000000, 0.0000000000000000 ] - [ -0.0001923400000000, 0.0066884700000000, 0.0000000000000000 ] - [ 0.0055076100000000, 0.0125431500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0068309100000000, 0.0000000000000000 ] - [ -0.0000329700000000, -0.0068178200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0067306900000000, 0.0000000000000000 ] - [ 0.0000329700000000, -0.0068178200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0089424400000000, 0.0066664600000000 ] - [ -0.0004738200000000, 0.0067249700000000, -0.0039820500000000 ] - [ 0.0000000000000000, 0.0055644900000000, -0.0041826000000000 ] - [ 0.0004738200000000, 0.0067249700000000, -0.0039820500000000 ] - [ -0.0000290700000000, -0.0058873500000000, -0.0036170400000000 ] - [ -0.0001975600000000, -0.0054939300000000, -0.0044143200000000 ] - [ 0.0001975600000000, -0.0054939300000000, -0.0044143200000000 ] - [ 0.0000290700000000, -0.0058873500000000, -0.0036170400000000 ] - [ -0.0000290700000000, -0.0058873500000000, 0.0036170400000000 ] - [ -0.0001975600000000, -0.0054939300000000, 0.0044143200000000 ] - [ 0.0001975600000000, -0.0054939300000000, 0.0044143200000000 ] - [ 0.0000290700000000, -0.0058873500000000, 0.0036170400000000 ] - [ 0.0000000000000000, 0.0089424400000000, -0.0066664600000000 ] - [ -0.0004738200000000, 0.0067249700000000, 0.0039820500000000 ] - [ 0.0000000000000000, 0.0055644900000000, 0.0041826000000000 ] - [ 0.0004738200000000, 0.0067249700000000, 0.0039820500000000 ] - [ 0.0000880500000000, 0.0048284600000000, -0.0040245400000000 ] - [ 0.0000602800000000, 0.0051090400000000, -0.0041400100000000 ] - [ -0.0000602800000000, 0.0051090400000000, -0.0041400100000000 ] - [ -0.0000880500000000, 0.0048284600000000, -0.0040245400000000 ] - [ 0.0000000000000000, -0.0055568100000000, -0.0046767500000000 ] - [ 0.0002587800000000, -0.0054802100000000, -0.0044324000000000 ] - [ 0.0000000000000000, -0.0053517000000000, -0.0042511800000000 ] - [ -0.0002587800000000, -0.0054802100000000, -0.0044324000000000 ] - [ 0.0000000000000000, -0.0055568100000000, 0.0046767500000000 ] - [ 0.0002587800000000, -0.0054802100000000, 0.0044324000000000 ] - [ 0.0000000000000000, -0.0053517000000000, 0.0042511800000000 ] - [ -0.0002587800000000, -0.0054802100000000, 0.0044324000000000 ] - [ 0.0000880500000000, 0.0048284600000000, 0.0040245400000000 ] - [ 0.0000602800000000, 0.0051090400000000, 0.0041400100000000 ] - [ -0.0000602800000000, 0.0051090400000000, 0.0041400100000000 ] - [ -0.0000880500000000, 0.0048284600000000, 0.0040245400000000 ] - [ 0.0124858300000000, 0.0168369200000000, 0.0000000000000000 ] - [ 0.0000809400000000, 0.0073993700000000, 0.0000000000000000 ] - [ -0.0000809400000000, 0.0073993700000000, 0.0000000000000000 ] - [ -0.0124858300000000, 0.0168369200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0074449400000000, 0.0000000000000000 ] - [ 0.0000471800000000, -0.0072459500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0071425100000000, 0.0000000000000000 ] - [ -0.0000471800000000, -0.0072459500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0070927300000000, 0.0000000000000000 ] - [ -0.0000204100000000, 0.0071584200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0071809500000000, 0.0000000000000000 ] - [ 0.0000204100000000, 0.0071584200000000, 0.0000000000000000 ] - [ -0.0000016100000000, -0.0071824800000000, 0.0000000000000000 ] - [ -0.0000139400000000, -0.0071915300000000, 0.0000000000000000 ] - [ 0.0000139400000000, -0.0071915300000000, 0.0000000000000000 ] - [ 0.0000016100000000, -0.0071824800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0098558100000000, 0.0061255400000000 ] - [ 0.0002434300000000, 0.0088070500000000, 0.0062325000000000 ] - [ 0.0000000000000000, 0.0088788500000000, 0.0064288500000000 ] - [ -0.0002434300000000, 0.0088070500000000, 0.0062325000000000 ] - [ 0.0033093800000000, -0.0055623600000000, 0.0105395200000000 ] - [ 0.0000869900000000, -0.0090782200000000, 0.0063098300000000 ] - [ -0.0000869900000000, -0.0090782200000000, 0.0063098300000000 ] - [ -0.0033093800000000, -0.0055623600000000, 0.0105395200000000 ] - [ 0.0033093800000000, -0.0055623600000000, -0.0105395200000000 ] - [ 0.0000869900000000, -0.0090782200000000, -0.0063098300000000 ] - [ -0.0000869900000000, -0.0090782200000000, -0.0063098300000000 ] - [ -0.0033093800000000, -0.0055623600000000, -0.0105395200000000 ] - [ 0.0000000000000000, 0.0098558100000000, -0.0061255400000000 ] - [ 0.0002434300000000, 0.0088070500000000, -0.0062325000000000 ] - [ 0.0000000000000000, 0.0088788500000000, -0.0064288500000000 ] - [ -0.0002434300000000, 0.0088070500000000, -0.0062325000000000 ] - [ -0.0004027300000000, -0.0003680700000000, -0.0005905700000000 ] - [ -0.0000364100000000, -0.0001424200000000, 0.0000043600000000 ] - [ 0.0000364100000000, -0.0001424200000000, 0.0000043600000000 ] - [ 0.0004027300000000, -0.0003680700000000, -0.0005905700000000 ] - [ -0.0004027300000000, -0.0003680700000000, 0.0005905700000000 ] - [ -0.0000364100000000, -0.0001424200000000, -0.0000043600000000 ] - [ 0.0000364100000000, -0.0001424200000000, -0.0000043600000000 ] - [ 0.0004027300000000, -0.0003680700000000, 0.0005905700000000 ] - [ 0.0000000000000000, -0.0623385900000000, 0.0000000000000000 ] - [ -0.0005741000000000, -0.0093110200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0089548100000000, 0.0000000000000000 ] - [ 0.0005741000000000, -0.0093110200000000, 0.0000000000000000 ] - [ 0.0002773400000000, 0.0088830500000000, 0.0000000000000000 ] - [ 0.0000582100000000, 0.0087897700000000, 0.0000000000000000 ] - [ -0.0000582100000000, 0.0087897700000000, 0.0000000000000000 ] - [ -0.0002773400000000, 0.0088830500000000, 0.0000000000000000 ] - [ -0.0000410400000000, 0.0089991600000000, 0.0064543900000000 ] - [ -0.0000698200000000, 0.0089582600000000, 0.0064240400000000 ] - [ 0.0000698200000000, 0.0089582600000000, 0.0064240400000000 ] - [ 0.0000410400000000, 0.0089991600000000, 0.0064543900000000 ] - [ 0.0000000000000000, -0.0084236800000000, 0.0061409000000000 ] - [ -0.0001490700000000, -0.0085619600000000, 0.0061559400000000 ] - [ 0.0000000000000000, -0.0088592300000000, 0.0063875500000000 ] - [ 0.0001490700000000, -0.0085619600000000, 0.0061559400000000 ] - [ 0.0000000000000000, -0.0084236800000000, -0.0061409000000000 ] - [ -0.0001490700000000, -0.0085619600000000, -0.0061559400000000 ] - [ 0.0000000000000000, -0.0088592300000000, -0.0063875500000000 ] - [ 0.0001490700000000, -0.0085619600000000, -0.0061559400000000 ] - [ -0.0000410400000000, 0.0089991600000000, -0.0064543900000000 ] - [ -0.0000698200000000, 0.0089582600000000, -0.0064240400000000 ] - [ 0.0000698200000000, 0.0089582600000000, -0.0064240400000000 ] - [ 0.0000410400000000, 0.0089991600000000, -0.0064543900000000 ] - [ 0.0000000000000000, 0.0004498800000000, -0.0001759900000000 ] - [ 0.0001439600000000, 0.0003876600000000, -0.0000914300000000 ] - [ 0.0000000000000000, 0.0001831100000000, -0.0001084000000000 ] - [ -0.0001439600000000, 0.0003876600000000, -0.0000914300000000 ] - [ 0.0000000000000000, 0.0004498800000000, 0.0001759900000000 ] - [ 0.0001439600000000, 0.0003876600000000, 0.0000914300000000 ] - [ 0.0000000000000000, 0.0001831100000000, 0.0001084000000000 ] - [ -0.0001439600000000, 0.0003876600000000, 0.0000914300000000 ] - [ -0.0000438300000000, -0.0085310600000000, 0.0000000000000000 ] - [ -0.0000106100000000, -0.0086315700000000, 0.0000000000000000 ] - [ 0.0000106100000000, -0.0086315700000000, 0.0000000000000000 ] - [ 0.0000438300000000, -0.0085310600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0087797800000000, 0.0000000000000000 ] - [ -0.0000350800000000, 0.0087357400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0086815600000000, 0.0000000000000000 ] - [ 0.0000350800000000, 0.0087357400000000, 0.0000000000000000 ]- atom: 89 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0076330200000000, 0.0000000000000000 ] - [ 0.0002353600000000, 0.0068662700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0066926500000000, 0.0000000000000000 ] - [ -0.0002353600000000, 0.0068662700000000, 0.0000000000000000 ] - [ -0.0000216800000000, -0.0068174200000000, 0.0000000000000000 ] - [ 0.0000157300000000, -0.0067753000000000, 0.0000000000000000 ] - [ -0.0000157300000000, -0.0067753000000000, 0.0000000000000000 ] - [ 0.0000216800000000, -0.0068174200000000, 0.0000000000000000 ] - [ 0.0056833100000000, 0.0006360900000000, 0.0000000000000000 ] - [ -0.0001939200000000, 0.0066467800000000, 0.0000000000000000 ] - [ 0.0001939200000000, 0.0066467800000000, 0.0000000000000000 ] - [ -0.0056833100000000, 0.0006360900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0064962300000000, 0.0000000000000000 ] - [ 0.0000333000000000, -0.0065204800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0066080300000000, 0.0000000000000000 ] - [ -0.0000333000000000, -0.0065204800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0017297100000000, -0.0151453600000000 ] - [ 0.0004762200000000, 0.0040470300000000, -0.0045293300000000 ] - [ 0.0000000000000000, 0.0052084800000000, -0.0043340400000000 ] - [ -0.0004762200000000, 0.0040470300000000, -0.0045293300000000 ] - [ 0.0000426400000000, -0.0048799300000000, -0.0049022900000000 ] - [ 0.0001976200000000, -0.0052802700000000, -0.0041068600000000 ] - [ -0.0001976200000000, -0.0052802700000000, -0.0041068600000000 ] - [ -0.0000426400000000, -0.0048799300000000, -0.0049022900000000 ] - [ 0.0000426400000000, -0.0048799300000000, 0.0049022900000000 ] - [ 0.0001976200000000, -0.0052802700000000, 0.0041068600000000 ] - [ -0.0001976200000000, -0.0052802700000000, 0.0041068600000000 ] - [ -0.0000426400000000, -0.0048799300000000, 0.0049022900000000 ] - [ 0.0000000000000000, 0.0017297100000000, 0.0151453600000000 ] - [ 0.0004762200000000, 0.0040470300000000, 0.0045293300000000 ] - [ 0.0000000000000000, 0.0052084800000000, 0.0043340400000000 ] - [ -0.0004762200000000, 0.0040470300000000, 0.0045293300000000 ] - [ -0.0000873800000000, 0.0059530900000000, -0.0044915800000000 ] - [ -0.0000605500000000, 0.0056695900000000, -0.0043771300000000 ] - [ 0.0000605500000000, 0.0056695900000000, -0.0043771300000000 ] - [ 0.0000873800000000, 0.0059530900000000, -0.0044915800000000 ] - [ 0.0000000000000000, -0.0052200300000000, -0.0038391200000000 ] - [ -0.0002612400000000, -0.0052972900000000, -0.0040855300000000 ] - [ 0.0000000000000000, -0.0054262600000000, -0.0042694000000000 ] - [ 0.0002612400000000, -0.0052972900000000, -0.0040855300000000 ] - [ 0.0000000000000000, -0.0052200300000000, 0.0038391200000000 ] - [ -0.0002612400000000, -0.0052972900000000, 0.0040855300000000 ] - [ 0.0000000000000000, -0.0054262600000000, 0.0042694000000000 ] - [ 0.0002612400000000, -0.0052972900000000, 0.0040855300000000 ] - [ -0.0000873800000000, 0.0059530900000000, 0.0044915800000000 ] - [ -0.0000605500000000, 0.0056695900000000, 0.0043771300000000 ] - [ 0.0000605500000000, 0.0056695900000000, 0.0043771300000000 ] - [ 0.0000873800000000, 0.0059530900000000, 0.0044915800000000 ] - [ -0.0120464600000000, -0.0023787700000000, 0.0000000000000000 ] - [ -0.0000799800000000, 0.0069522700000000, 0.0000000000000000 ] - [ 0.0000799800000000, 0.0069522700000000, 0.0000000000000000 ] - [ 0.0120464600000000, -0.0023787700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0069015300000000, 0.0000000000000000 ] - [ -0.0000465100000000, -0.0071083700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0072101300000000, 0.0000000000000000 ] - [ 0.0000465100000000, -0.0071083700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0072593700000000, 0.0000000000000000 ] - [ 0.0000221700000000, 0.0071951400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0071703300000000, 0.0000000000000000 ] - [ -0.0000221700000000, 0.0071951400000000, 0.0000000000000000 ] - [ 0.0000020600000000, -0.0071698500000000, 0.0000000000000000 ] - [ 0.0000144100000000, -0.0071623300000000, 0.0000000000000000 ] - [ -0.0000144100000000, -0.0071623300000000, 0.0000000000000000 ] - [ -0.0000020600000000, -0.0071698500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0079541700000000, 0.0066594100000000 ] - [ -0.0002445400000000, 0.0090311600000000, 0.0065397400000000 ] - [ 0.0000000000000000, 0.0089597700000000, 0.0063435100000000 ] - [ 0.0002445400000000, 0.0090311600000000, 0.0065397400000000 ] - [ -0.0032936200000000, -0.0122463300000000, 0.0022504000000000 ] - [ -0.0000851800000000, -0.0087576200000000, 0.0064591400000000 ] - [ 0.0000851800000000, -0.0087576200000000, 0.0064591400000000 ] - [ 0.0032936200000000, -0.0122463300000000, 0.0022504000000000 ] - [ -0.0032936200000000, -0.0122463300000000, -0.0022504000000000 ] - [ -0.0000851800000000, -0.0087576200000000, -0.0064591400000000 ] - [ 0.0000851800000000, -0.0087576200000000, -0.0064591400000000 ] - [ 0.0032936200000000, -0.0122463300000000, -0.0022504000000000 ] - [ 0.0000000000000000, 0.0079541700000000, -0.0066594100000000 ] - [ -0.0002445400000000, 0.0090311600000000, -0.0065397400000000 ] - [ 0.0000000000000000, 0.0089597700000000, -0.0063435100000000 ] - [ 0.0002445400000000, 0.0090311600000000, -0.0065397400000000 ] - [ 0.0004063900000000, 0.0003706700000000, 0.0005926600000000 ] - [ 0.0000354000000000, 0.0001447300000000, -0.0000052000000000 ] - [ -0.0000354000000000, 0.0001447300000000, -0.0000052000000000 ] - [ -0.0004063900000000, 0.0003706700000000, 0.0005926600000000 ] - [ 0.0004063900000000, 0.0003706700000000, -0.0005926600000000 ] - [ 0.0000354000000000, 0.0001447300000000, 0.0000052000000000 ] - [ -0.0000354000000000, 0.0001447300000000, 0.0000052000000000 ] - [ -0.0004063900000000, 0.0003706700000000, -0.0005926600000000 ] - [ 0.0000000000000000, 0.0451482200000000, 0.0000000000000000 ] - [ 0.0005687200000000, -0.0081324500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0084912100000000, 0.0000000000000000 ] - [ -0.0005687200000000, -0.0081324500000000, 0.0000000000000000 ] - [ -0.0002763100000000, 0.0085540500000000, 0.0000000000000000 ] - [ -0.0000585800000000, 0.0086552900000000, 0.0000000000000000 ] - [ 0.0000585800000000, 0.0086552900000000, 0.0000000000000000 ] - [ 0.0002763100000000, 0.0085540500000000, 0.0000000000000000 ] - [ 0.0000446700000000, 0.0088443800000000, 0.0063216300000000 ] - [ 0.0000697500000000, 0.0088794300000000, 0.0063501000000000 ] - [ -0.0000697500000000, 0.0088794300000000, 0.0063501000000000 ] - [ -0.0000446700000000, 0.0088443800000000, 0.0063216300000000 ] - [ 0.0000000000000000, -0.0094174300000000, 0.0066320400000000 ] - [ 0.0001497300000000, -0.0092809700000000, 0.0066187300000000 ] - [ 0.0000000000000000, -0.0089799800000000, 0.0063854700000000 ] - [ -0.0001497300000000, -0.0092809700000000, 0.0066187300000000 ] - [ 0.0000000000000000, -0.0094174300000000, -0.0066320400000000 ] - [ 0.0001497300000000, -0.0092809700000000, -0.0066187300000000 ] - [ 0.0000000000000000, -0.0089799800000000, -0.0063854700000000 ] - [ -0.0001497300000000, -0.0092809700000000, -0.0066187300000000 ] - [ 0.0000446700000000, 0.0088443800000000, -0.0063216300000000 ] - [ 0.0000697500000000, 0.0088794300000000, -0.0063501000000000 ] - [ -0.0000697500000000, 0.0088794300000000, -0.0063501000000000 ] - [ -0.0000446700000000, 0.0088443800000000, -0.0063216300000000 ] - [ 0.0000000000000000, -0.0004553400000000, 0.0001716400000000 ] - [ -0.0001459800000000, -0.0003905200000000, 0.0000935500000000 ] - [ 0.0000000000000000, -0.0001844600000000, 0.0001084400000000 ] - [ 0.0001459800000000, -0.0003905200000000, 0.0000935500000000 ] - [ 0.0000000000000000, -0.0004553400000000, -0.0001716400000000 ] - [ -0.0001459800000000, -0.0003905200000000, -0.0000935500000000 ] - [ 0.0000000000000000, -0.0001844600000000, -0.0001084400000000 ] - [ 0.0001459800000000, -0.0003905200000000, -0.0000935500000000 ] - [ 0.0000339500000000, -0.0089303400000000, 0.0000000000000000 ] - [ 0.0000156200000000, -0.0088205700000000, 0.0000000000000000 ] - [ -0.0000156200000000, -0.0088205700000000, 0.0000000000000000 ] - [ -0.0000339500000000, -0.0089303400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0086685600000000, 0.0000000000000000 ] - [ 0.0000351400000000, 0.0087119100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0087652400000000, 0.0000000000000000 ] - [ -0.0000351400000000, 0.0087119100000000, 0.0000000000000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0066722800000000, 0.0006942400000000 ] - [ 0.0000005500000000, 0.0066673400000000, 0.0004320500000000 ] - [ 0.0000000000000000, 0.0066673700000000, 0.0001146500000000 ] - [ -0.0000005500000000, 0.0066673400000000, 0.0004320500000000 ] - [ -0.0000015500000000, -0.0066653200000000, -0.0006417900000000 ] - [ -0.0000000600000000, -0.0066659300000000, -0.0001530900000000 ] - [ 0.0000000600000000, -0.0066659300000000, -0.0001530900000000 ] - [ 0.0000015500000000, -0.0066653200000000, -0.0006417900000000 ] - [ -0.0000085200000000, 0.0066714900000000, 0.0005040500000000 ] - [ 0.0000005400000000, 0.0066650700000000, 0.0000936700000000 ] - [ -0.0000005400000000, 0.0066650700000000, 0.0000936700000000 ] - [ 0.0000085200000000, 0.0066714900000000, 0.0005040500000000 ] - [ 0.0000000000000000, -0.0066668800000000, -0.0001015700000000 ] - [ -0.0000005800000000, -0.0066664300000000, -0.0000900000000000 ] - [ 0.0000000000000000, -0.0066670200000000, -0.0000779100000000 ] - [ 0.0000005800000000, -0.0066664300000000, -0.0000900000000000 ] - [ 0.0000000000000000, 0.0115716900000000, 0.0245893900000000 ] - [ -0.0014790300000000, 0.0058605700000000, -0.0036034900000000 ] - [ 0.0000000000000000, 0.0053551600000000, -0.0040482800000000 ] - [ 0.0014790300000000, 0.0058605700000000, -0.0036034900000000 ] - [ 0.0007057400000000, -0.0040901900000000, -0.0055570400000000 ] - [ 0.0002438600000000, -0.0052374600000000, -0.0044626600000000 ] - [ -0.0002438600000000, -0.0052374600000000, -0.0044626600000000 ] - [ -0.0007057400000000, -0.0040901900000000, -0.0055570400000000 ] - [ -0.0007215900000000, -0.0066865600000000, 0.0029760700000000 ] - [ -0.0002427500000000, -0.0055357000000000, 0.0040565700000000 ] - [ 0.0002427500000000, -0.0055357000000000, 0.0040565700000000 ] - [ 0.0007215900000000, -0.0066865600000000, 0.0029760700000000 ] - [ 0.0000000000000000, -0.0003214900000000, 0.0316073200000000 ] - [ 0.0014775600000000, 0.0049064800000000, 0.0048973400000000 ] - [ 0.0000000000000000, 0.0054170200000000, 0.0044634000000000 ] - [ -0.0014775600000000, 0.0049064800000000, 0.0048973400000000 ] - [ -0.0001746200000000, 0.0053207300000000, -0.0039884000000000 ] - [ -0.0001049800000000, 0.0053290200000000, -0.0040640400000000 ] - [ 0.0001049800000000, 0.0053290200000000, -0.0040640400000000 ] - [ 0.0001746200000000, 0.0053207300000000, -0.0039884000000000 ] - [ 0.0000000000000000, -0.0066137300000000, -0.0052796000000000 ] - [ 0.0008608600000000, -0.0062295900000000, -0.0048497900000000 ] - [ 0.0000000000000000, -0.0055076400000000, -0.0044552100000000 ] - [ -0.0008608600000000, -0.0062295900000000, -0.0048497900000000 ] - [ 0.0000000000000000, -0.0041524100000000, 0.0032408600000000 ] - [ -0.0008683300000000, -0.0045383100000000, 0.0036680000000000 ] - [ 0.0000000000000000, -0.0052666300000000, 0.0040630200000000 ] - [ 0.0008683300000000, -0.0045383100000000, 0.0036680000000000 ] - [ 0.0001727800000000, 0.0054505200000000, 0.0045249500000000 ] - [ 0.0001072100000000, 0.0054435000000000, 0.0044503700000000 ] - [ -0.0001072100000000, 0.0054435000000000, 0.0044503700000000 ] - [ -0.0001727800000000, 0.0054505200000000, 0.0045249500000000 ] - [ -0.0000085700000000, 0.0071634500000000, 0.0008337800000000 ] - [ 0.0000016100000000, 0.0071746400000000, -0.0000154200000000 ] - [ -0.0000016100000000, 0.0071746400000000, -0.0000154200000000 ] - [ 0.0000085700000000, 0.0071634500000000, 0.0008337800000000 ] - [ 0.0000000000000000, -0.0071758900000000, -0.0019385800000000 ] - [ -0.0000001400000000, -0.0071702500000000, -0.0000439600000000 ] - [ 0.0000000000000000, -0.0071704500000000, -0.0000137500000000 ] - [ 0.0000001400000000, -0.0071702500000000, -0.0000439600000000 ] - [ 0.0000000000000000, 0.0071732300000000, 0.0000765800000000 ] - [ 0.0000000700000000, 0.0071711300000000, 0.0000161200000000 ] - [ 0.0000000000000000, 0.0071740400000000, 0.0000116700000000 ] - [ -0.0000000700000000, 0.0071711300000000, 0.0000161200000000 ] - [ 0.0000003500000000, -0.0071734800000000, 0.0000527200000000 ] - [ -0.0000005900000000, -0.0071710800000000, 0.0000347900000000 ] - [ 0.0000005900000000, -0.0071710800000000, 0.0000347900000000 ] - [ -0.0000003500000000, -0.0071734800000000, 0.0000527200000000 ] - [ 0.0000000000000000, 0.0038560700000000, 0.0121176000000000 ] - [ -0.0003836000000000, 0.0087979300000000, 0.0068212400000000 ] - [ 0.0000000000000000, 0.0089355500000000, 0.0064893200000000 ] - [ 0.0003836000000000, 0.0087979300000000, 0.0068212400000000 ] - [ 0.0035896300000000, -0.0049446900000000, 0.0091515500000000 ] - [ 0.0002739200000000, -0.0088118400000000, 0.0062421300000000 ] - [ -0.0002739200000000, -0.0088118400000000, 0.0062421300000000 ] - [ -0.0035896300000000, -0.0049446900000000, 0.0091515500000000 ] - [ -0.0035824400000000, -0.0128994800000000, -0.0035922400000000 ] - [ -0.0002733900000000, -0.0090275400000000, -0.0065376000000000 ] - [ 0.0002733900000000, -0.0090275400000000, -0.0065376000000000 ] - [ 0.0035824400000000, -0.0128994800000000, -0.0035922400000000 ] - [ 0.0000000000000000, 0.0140359700000000, -0.0006223100000000 ] - [ 0.0003847300000000, 0.0090404500000000, -0.0059645500000000 ] - [ 0.0000000000000000, 0.0089022300000000, -0.0062927100000000 ] - [ -0.0003847300000000, 0.0090404500000000, -0.0059645500000000 ] - [ 0.0022698000000000, -0.0014991900000000, 0.0015431900000000 ] - [ 0.0003463700000000, -0.0001288200000000, 0.0000209600000000 ] - [ -0.0003463700000000, -0.0001288200000000, 0.0000209600000000 ] - [ -0.0022698000000000, -0.0014991900000000, 0.0015431900000000 ] - [ -0.0022489500000000, 0.0014866000000000, 0.0015346600000000 ] - [ -0.0003448100000000, 0.0001310500000000, 0.0000236800000000 ] - [ 0.0003448100000000, 0.0001310500000000, 0.0000236800000000 ] - [ 0.0022489500000000, 0.0014866000000000, 0.0015346600000000 ] - [ 0.0000000000000000, -0.0092133900000000, -0.0844934500000000 ] - [ -0.0000105500000000, -0.0087296500000000, -0.0011220600000000 ] - [ 0.0000000000000000, -0.0087271300000000, -0.0002898200000000 ] - [ 0.0000105500000000, -0.0087296500000000, -0.0011220600000000 ] - [ 0.0000046400000000, 0.0087272600000000, 0.0020140100000000 ] - [ 0.0000003500000000, 0.0087250800000000, 0.0002850400000000 ] - [ -0.0000003500000000, 0.0087250800000000, 0.0002850400000000 ] - [ -0.0000046400000000, 0.0087272600000000, 0.0020140100000000 ] - [ -0.0000874000000000, 0.0091515200000000, 0.0065786800000000 ] - [ -0.0001616700000000, 0.0090529200000000, 0.0065221600000000 ] - [ 0.0001616700000000, 0.0090529200000000, 0.0065221600000000 ] - [ 0.0000874000000000, 0.0091515200000000, 0.0065786800000000 ] - [ 0.0000000000000000, -0.0091705100000000, 0.0062414300000000 ] - [ 0.0000610700000000, -0.0089262600000000, 0.0062097300000000 ] - [ 0.0000000000000000, -0.0089142100000000, 0.0063263500000000 ] - [ -0.0000610700000000, -0.0089262600000000, 0.0062097300000000 ] - [ 0.0000000000000000, -0.0086649700000000, -0.0065350800000000 ] - [ -0.0000604200000000, -0.0089096200000000, -0.0065690800000000 ] - [ 0.0000000000000000, -0.0089260700000000, -0.0064505600000000 ] - [ 0.0000604200000000, -0.0089096200000000, -0.0065690800000000 ] - [ 0.0000880500000000, 0.0086838300000000, -0.0062040800000000 ] - [ 0.0001629500000000, 0.0087817600000000, -0.0062609000000000 ] - [ -0.0001629500000000, 0.0087817600000000, -0.0062609000000000 ] - [ -0.0000880500000000, 0.0086838300000000, -0.0062040800000000 ] - [ 0.0000000000000000, 0.0004121800000000, -0.0000659500000000 ] - [ 0.0002718600000000, 0.0002766100000000, 0.0000177400000000 ] - [ 0.0000000000000000, 0.0000729900000000, -0.0000255100000000 ] - [ -0.0002718600000000, 0.0002766100000000, 0.0000177400000000 ] - [ 0.0000000000000000, -0.0004098600000000, -0.0000626400000000 ] - [ -0.0002703300000000, -0.0002754100000000, 0.0000196600000000 ] - [ 0.0000000000000000, -0.0000719900000000, -0.0000241900000000 ] - [ 0.0002703300000000, -0.0002754100000000, 0.0000196600000000 ] - [ -0.0000016500000000, -0.0087276100000000, -0.0002828900000000 ] - [ 0.0000027100000000, -0.0087258600000000, -0.0001723600000000 ] - [ -0.0000027100000000, -0.0087258600000000, -0.0001723600000000 ] - [ 0.0000016500000000, -0.0087276100000000, -0.0002828900000000 ] - [ 0.0000000000000000, 0.0087263100000000, 0.0006383100000000 ] - [ 0.0000006700000000, 0.0087272800000000, 0.0005933900000000 ] - [ 0.0000000000000000, 0.0087282900000000, 0.0002172900000000 ] - [ -0.0000006700000000, 0.0087272800000000, 0.0005933900000000 ]