# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/09debfaf-5b59-4589-8e71-04d598eb9a55/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 BaI2 / P-62m (189) / materials id 568536](https://mdr.nims.go.jp/datasets/5e1bac2b-fab0-46e2-90e3-0d439e7b88ef) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P-62m" number: 189 Hall_symbol: "P -6 -2"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 4 ]primitive_cell: lattice: - [ 9.074462140000000, 0.000000000000000, 0.000000000000000 ] # a - [ -4.537231060000000, 7.858714730000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.103170430000000 ] # c points: - symbol: Ba # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 137.327000 - symbol: Ba # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.000000000000000 ] mass: 137.327000 - symbol: Ba # 3 coordinates: [ 0.333333330000000, 0.666666670000000, 0.000000000000000 ] mass: 137.327000 - symbol: I # 4 coordinates: [ 0.000000000000000, 0.406741820000000, 0.500000000000000 ] mass: 126.904470 - symbol: I # 5 coordinates: [ 0.743149460000000, 0.000000000000000, 0.000000000000000 ] mass: 126.904470 - symbol: I # 6 coordinates: [ 0.000000000000000, 0.743149460000000, 0.000000000000000 ] mass: 126.904470 - symbol: I # 7 coordinates: [ 0.406741820000000, 0.000000000000000, 0.500000000000000 ] mass: 126.904470 - symbol: I # 8 coordinates: [ 0.593258180000000, 0.593258180000000, 0.500000000000000 ] mass: 126.904470 - symbol: I # 9 coordinates: [ 0.256850540000000, 0.256850540000000, 0.000000000000000 ] mass: 126.904470 reciprocal_lattice: # without 2pi - [ 0.110199368796970, 0.063623635171448, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.127247270623348, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.195956614366885 ] # c*unit_cell: lattice: - [ 9.074462140000000, 0.000000000000000, 0.000000000000000 ] # a - [ -4.537231060000000, 7.858714730000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.103170430000000 ] # c points: - symbol: Ba # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 2 - symbol: Ba # 3 coordinates: [ 0.333333330000000, 0.666666670000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 3 - symbol: I # 4 coordinates: [ 0.000000000000000, 0.406741820000000, 0.500000000000000 ] mass: 126.904470 reduced_to: 4 - symbol: I # 5 coordinates: [ 0.743149460000000, 0.000000000000000, 0.000000000000000 ] mass: 126.904470 reduced_to: 5 - symbol: I # 6 coordinates: [ 0.000000000000000, 0.743149460000000, 0.000000000000000 ] mass: 126.904470 reduced_to: 6 - symbol: I # 7 coordinates: [ 0.406741820000000, 0.000000000000000, 0.500000000000000 ] mass: 126.904470 reduced_to: 7 - symbol: I # 8 coordinates: [ 0.593258180000000, 0.593258180000000, 0.500000000000000 ] mass: 126.904470 reduced_to: 8 - symbol: I # 9 coordinates: [ 0.256850540000000, 0.256850540000000, 0.000000000000000 ] mass: 126.904470 reduced_to: 9supercell: lattice: - [ 18.148924279999999, 0.000000000000000, 0.000000000000000 ] # a - [ -9.074462120000000, 15.717429460000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 20.412681719999998 ] # c points: - symbol: Ba # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.125000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.500000000000000, 0.000000000000000, 0.125000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 3 coordinates: [ 0.000000000000000, 0.500000000000000, 0.125000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 4 coordinates: [ 0.500000000000000, 0.500000000000000, 0.125000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.375000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 6 coordinates: [ 0.500000000000000, 0.000000000000000, 0.375000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 7 coordinates: [ 0.000000000000000, 0.500000000000000, 0.375000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 8 coordinates: [ 0.500000000000000, 0.500000000000000, 0.375000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.625000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 10 coordinates: [ 0.500000000000000, 0.000000000000000, 0.625000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 11 coordinates: [ 0.000000000000000, 0.500000000000000, 0.625000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 12 coordinates: [ 0.500000000000000, 0.500000000000000, 0.625000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.875000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 14 coordinates: [ 0.500000000000000, 0.000000000000000, 0.875000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 15 coordinates: [ 0.000000000000000, 0.500000000000000, 0.875000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 16 coordinates: [ 0.500000000000000, 0.500000000000000, 0.875000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 17 coordinates: [ 0.333333335000000, 0.166666665000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 18 coordinates: [ 0.833333335000000, 0.166666665000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 19 coordinates: [ 0.333333335000000, 0.666666665000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 20 coordinates: [ 0.833333335000000, 0.666666665000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 21 coordinates: [ 0.333333335000000, 0.166666665000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 22 coordinates: [ 0.833333335000000, 0.166666665000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 23 coordinates: [ 0.333333335000000, 0.666666665000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 24 coordinates: [ 0.833333335000000, 0.666666665000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 25 coordinates: [ 0.333333335000000, 0.166666665000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 26 coordinates: [ 0.833333335000000, 0.166666665000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 27 coordinates: [ 0.333333335000000, 0.666666665000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 28 coordinates: [ 0.833333335000000, 0.666666665000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 29 coordinates: [ 0.333333335000000, 0.166666665000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 30 coordinates: [ 0.833333335000000, 0.166666665000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 31 coordinates: [ 0.333333335000000, 0.666666665000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 32 coordinates: [ 0.833333335000000, 0.666666665000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 33 coordinates: [ 0.166666665000000, 0.333333335000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 33 - symbol: Ba # 34 coordinates: [ 0.666666665000000, 0.333333335000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 33 - symbol: Ba # 35 coordinates: [ 0.166666665000000, 0.833333335000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 33 - symbol: Ba # 36 coordinates: [ 0.666666665000000, 0.833333335000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 33 - symbol: Ba # 37 coordinates: [ 0.166666665000000, 0.333333335000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 33 - symbol: Ba # 38 coordinates: [ 0.666666665000000, 0.333333335000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 33 - symbol: Ba # 39 coordinates: [ 0.166666665000000, 0.833333335000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 33 - symbol: Ba # 40 coordinates: [ 0.666666665000000, 0.833333335000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 33 - symbol: Ba # 41 coordinates: [ 0.166666665000000, 0.333333335000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 33 - symbol: Ba # 42 coordinates: [ 0.666666665000000, 0.333333335000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 33 - symbol: Ba # 43 coordinates: [ 0.166666665000000, 0.833333335000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 33 - symbol: Ba # 44 coordinates: [ 0.666666665000000, 0.833333335000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 33 - symbol: Ba # 45 coordinates: [ 0.166666665000000, 0.333333335000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 33 - symbol: Ba # 46 coordinates: [ 0.666666665000000, 0.333333335000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 33 - symbol: Ba # 47 coordinates: [ 0.166666665000000, 0.833333335000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 33 - symbol: Ba # 48 coordinates: [ 0.666666665000000, 0.833333335000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 33 - symbol: I # 49 coordinates: [ 0.000000000000000, 0.203370910000000, 0.125000000000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 50 coordinates: [ 0.500000000000000, 0.203370910000000, 0.125000000000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 51 coordinates: [ 0.000000000000000, 0.703370910000000, 0.125000000000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 52 coordinates: [ 0.500000000000000, 0.703370910000000, 0.125000000000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 53 coordinates: [ 0.000000000000000, 0.203370910000000, 0.375000000000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 54 coordinates: [ 0.500000000000000, 0.203370910000000, 0.375000000000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 55 coordinates: [ 0.000000000000000, 0.703370910000000, 0.375000000000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 56 coordinates: [ 0.500000000000000, 0.703370910000000, 0.375000000000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 57 coordinates: [ 0.000000000000000, 0.203370910000000, 0.625000000000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 58 coordinates: [ 0.500000000000000, 0.203370910000000, 0.625000000000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 59 coordinates: [ 0.000000000000000, 0.703370910000000, 0.625000000000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 60 coordinates: [ 0.500000000000000, 0.703370910000000, 0.625000000000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 61 coordinates: [ 0.000000000000000, 0.203370910000000, 0.875000000000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 62 coordinates: [ 0.500000000000000, 0.203370910000000, 0.875000000000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 63 coordinates: [ 0.000000000000000, 0.703370910000000, 0.875000000000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 64 coordinates: [ 0.500000000000000, 0.703370910000000, 0.875000000000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 65 coordinates: [ 0.371574730000000, 0.000000000000000, 0.000000000000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 66 coordinates: [ 0.871574730000000, 0.000000000000000, 0.000000000000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 67 coordinates: [ 0.371574730000000, 0.500000000000000, 0.000000000000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 68 coordinates: [ 0.871574730000000, 0.500000000000000, 0.000000000000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 69 coordinates: [ 0.371574730000000, 0.000000000000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 70 coordinates: [ 0.871574730000000, 0.000000000000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 71 coordinates: [ 0.371574730000000, 0.500000000000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 72 coordinates: [ 0.871574730000000, 0.500000000000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 73 coordinates: [ 0.371574730000000, 0.000000000000000, 0.500000000000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 74 coordinates: [ 0.871574730000000, 0.000000000000000, 0.500000000000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 75 coordinates: [ 0.371574730000000, 0.500000000000000, 0.500000000000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 76 coordinates: [ 0.871574730000000, 0.500000000000000, 0.500000000000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 77 coordinates: [ 0.371574730000000, 0.000000000000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 78 coordinates: [ 0.871574730000000, 0.000000000000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 79 coordinates: [ 0.371574730000000, 0.500000000000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 80 coordinates: [ 0.871574730000000, 0.500000000000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 81 coordinates: [ 0.000000000000000, 0.371574730000000, 0.000000000000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 82 coordinates: [ 0.500000000000000, 0.371574730000000, 0.000000000000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 83 coordinates: [ 0.000000000000000, 0.871574730000000, 0.000000000000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 84 coordinates: [ 0.500000000000000, 0.871574730000000, 0.000000000000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 85 coordinates: [ 0.000000000000000, 0.371574730000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 86 coordinates: [ 0.500000000000000, 0.371574730000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 87 coordinates: [ 0.000000000000000, 0.871574730000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 88 coordinates: [ 0.500000000000000, 0.871574730000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 89 coordinates: [ 0.000000000000000, 0.371574730000000, 0.500000000000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 90 coordinates: [ 0.500000000000000, 0.371574730000000, 0.500000000000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 91 coordinates: [ 0.000000000000000, 0.871574730000000, 0.500000000000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 92 coordinates: [ 0.500000000000000, 0.871574730000000, 0.500000000000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 93 coordinates: [ 0.000000000000000, 0.371574730000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 94 coordinates: [ 0.500000000000000, 0.371574730000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 95 coordinates: [ 0.000000000000000, 0.871574730000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 96 coordinates: [ 0.500000000000000, 0.871574730000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 97 coordinates: [ 0.203370910000000, 0.000000000000000, 0.125000000000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 98 coordinates: [ 0.703370910000000, 0.000000000000000, 0.125000000000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 99 coordinates: [ 0.203370910000000, 0.500000000000000, 0.125000000000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 100 coordinates: [ 0.703370910000000, 0.500000000000000, 0.125000000000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 101 coordinates: [ 0.203370910000000, 0.000000000000000, 0.375000000000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 102 coordinates: [ 0.703370910000000, 0.000000000000000, 0.375000000000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 103 coordinates: [ 0.203370910000000, 0.500000000000000, 0.375000000000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 104 coordinates: [ 0.703370910000000, 0.500000000000000, 0.375000000000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 105 coordinates: [ 0.203370910000000, 0.000000000000000, 0.625000000000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 106 coordinates: [ 0.703370910000000, 0.000000000000000, 0.625000000000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 107 coordinates: [ 0.203370910000000, 0.500000000000000, 0.625000000000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 108 coordinates: [ 0.703370910000000, 0.500000000000000, 0.625000000000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 109 coordinates: [ 0.203370910000000, 0.000000000000000, 0.875000000000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 110 coordinates: [ 0.703370910000000, 0.000000000000000, 0.875000000000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 111 coordinates: [ 0.203370910000000, 0.500000000000000, 0.875000000000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 112 coordinates: [ 0.703370910000000, 0.500000000000000, 0.875000000000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 113 coordinates: [ 0.296629090000000, 0.296629090000000, 0.125000000000000 ] mass: 126.904470 reduced_to: 113 - symbol: I # 114 coordinates: [ 0.796629090000000, 0.296629090000000, 0.125000000000000 ] mass: 126.904470 reduced_to: 113 - symbol: I # 115 coordinates: [ 0.296629090000000, 0.796629090000000, 0.125000000000000 ] mass: 126.904470 reduced_to: 113 - symbol: I # 116 coordinates: [ 0.796629090000000, 0.796629090000000, 0.125000000000000 ] mass: 126.904470 reduced_to: 113 - symbol: I # 117 coordinates: [ 0.296629090000000, 0.296629090000000, 0.375000000000000 ] mass: 126.904470 reduced_to: 113 - symbol: I # 118 coordinates: [ 0.796629090000000, 0.296629090000000, 0.375000000000000 ] mass: 126.904470 reduced_to: 113 - symbol: I # 119 coordinates: [ 0.296629090000000, 0.796629090000000, 0.375000000000000 ] mass: 126.904470 reduced_to: 113 - symbol: I # 120 coordinates: [ 0.796629090000000, 0.796629090000000, 0.375000000000000 ] mass: 126.904470 reduced_to: 113 - symbol: I # 121 coordinates: [ 0.296629090000000, 0.296629090000000, 0.625000000000000 ] mass: 126.904470 reduced_to: 113 - symbol: I # 122 coordinates: [ 0.796629090000000, 0.296629090000000, 0.625000000000000 ] mass: 126.904470 reduced_to: 113 - symbol: I # 123 coordinates: [ 0.296629090000000, 0.796629090000000, 0.625000000000000 ] mass: 126.904470 reduced_to: 113 - symbol: I # 124 coordinates: [ 0.796629090000000, 0.796629090000000, 0.625000000000000 ] mass: 126.904470 reduced_to: 113 - symbol: I # 125 coordinates: [ 0.296629090000000, 0.296629090000000, 0.875000000000000 ] mass: 126.904470 reduced_to: 113 - symbol: I # 126 coordinates: [ 0.796629090000000, 0.296629090000000, 0.875000000000000 ] mass: 126.904470 reduced_to: 113 - symbol: I # 127 coordinates: [ 0.296629090000000, 0.796629090000000, 0.875000000000000 ] mass: 126.904470 reduced_to: 113 - symbol: I # 128 coordinates: [ 0.796629090000000, 0.796629090000000, 0.875000000000000 ] mass: 126.904470 reduced_to: 113 - symbol: I # 129 coordinates: [ 0.128425270000000, 0.128425270000000, 0.000000000000000 ] mass: 126.904470 reduced_to: 129 - symbol: I # 130 coordinates: [ 0.628425270000000, 0.128425270000000, 0.000000000000000 ] mass: 126.904470 reduced_to: 129 - symbol: I # 131 coordinates: [ 0.128425270000000, 0.628425270000000, 0.000000000000000 ] mass: 126.904470 reduced_to: 129 - symbol: I # 132 coordinates: [ 0.628425270000000, 0.628425270000000, 0.000000000000000 ] mass: 126.904470 reduced_to: 129 - symbol: I # 133 coordinates: [ 0.128425270000000, 0.128425270000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 129 - symbol: I # 134 coordinates: [ 0.628425270000000, 0.128425270000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 129 - symbol: I # 135 coordinates: [ 0.128425270000000, 0.628425270000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 129 - symbol: I # 136 coordinates: [ 0.628425270000000, 0.628425270000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 129 - symbol: I # 137 coordinates: [ 0.128425270000000, 0.128425270000000, 0.500000000000000 ] mass: 126.904470 reduced_to: 129 - symbol: I # 138 coordinates: [ 0.628425270000000, 0.128425270000000, 0.500000000000000 ] mass: 126.904470 reduced_to: 129 - symbol: I # 139 coordinates: [ 0.128425270000000, 0.628425270000000, 0.500000000000000 ] mass: 126.904470 reduced_to: 129 - symbol: I # 140 coordinates: [ 0.628425270000000, 0.628425270000000, 0.500000000000000 ] mass: 126.904470 reduced_to: 129 - symbol: I # 141 coordinates: [ 0.128425270000000, 0.128425270000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 129 - symbol: I # 142 coordinates: [ 0.628425270000000, 0.128425270000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 129 - symbol: I # 143 coordinates: [ 0.128425270000000, 0.628425270000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 129 - symbol: I # 144 coordinates: [ 0.628425270000000, 0.628425270000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 129born_effective_charge:- # 1 (Ba) - [ 2.547875350000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.547875350000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.946727130000000 ]- # 2 (Ba) - [ 2.927210830000000, -0.035120380000000, 0.000000000000000 ] - [ 0.035120380000000, 2.927210830000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.462713700000000 ]- # 3 (Ba) - [ 2.927210830056868, 0.035120379901502, 0.000000000000000 ] - [ -0.035120380098498, 2.927210829943133, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.462713700000000 ]- # 4 (I) - [ -1.497590260000000, -0.191973090000000, 0.000000000000000 ] - [ -0.191973090000000, -1.275918830000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.461762880000000 ]- # 5 (I) - [ -1.532946800000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -1.295075460000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.162288630000000 ]- # 6 (I) - [ -1.354543295000000, 0.103001311746224, 0.000000000000000 ] - [ 0.103001311526021, -1.473478965000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.162288630000000 ]- # 7 (I) - [ -1.165083114717004, 0.000000000368594, 0.000000000000000 ] - [ -0.000000000041817, -1.608425975282996, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.461762880000000 ]- # 8 (I) - [ -1.497590260282996, 0.191973089400811, 0.000000000000000 ] - [ 0.191973090272413, -1.275918829717004, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.461762880000000 ]- # 9 (I) - [ -1.354543295000000, -0.103001311292197, 0.000000000000000 ] - [ -0.103001311980049, -1.473478965000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.162288630000000 ]dielectric_constant: - [ 4.720168780000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 4.720168780000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.561567400000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0298092300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0012041400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001921500000000, -0.0005852600000000, 0.0000000000000000 ] - [ 0.0001921500000000, 0.0005852600000000, 0.0000000000000000 ] - [ -0.0018035000000000, 0.0000000000000000, -0.0000020900000000 ] - [ 0.0005360000000000, 0.0000000000000000, 0.0001422700000000 ] - [ 0.0000542400000000, -0.0002773400000000, -0.0000703900000000 ] - [ 0.0000542400000000, 0.0002773400000000, -0.0000703900000000 ] - [ -0.0001775300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001379800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000033900000000, -0.0000775800000000, 0.0000000000000000 ] - [ 0.0000033900000000, 0.0000775800000000, 0.0000000000000000 ] - [ -0.0018035000000000, 0.0000000000000000, 0.0000020900000000 ] - [ 0.0005360000000000, 0.0000000000000000, -0.0001422700000000 ] - [ 0.0000542400000000, -0.0002773400000000, 0.0000703900000000 ] - [ 0.0000542400000000, 0.0002773400000000, 0.0000703900000000 ] - [ 0.0007956500000000, 0.0013412300000000, -0.0011459600000000 ] - [ 0.0012515100000000, -0.0011651900000000, 0.0006270400000000 ] - [ 0.0003024600000000, -0.0000285200000000, -0.0000003100000000 ] - [ -0.0011433400000000, -0.0003058900000000, 0.0005124800000000 ] - [ 0.0007956500000000, 0.0013412300000000, 0.0011459600000000 ] - [ 0.0012515100000000, -0.0011651900000000, -0.0006270400000000 ] - [ 0.0003024600000000, -0.0000285200000000, 0.0000003100000000 ] - [ -0.0011433400000000, -0.0003058900000000, -0.0005124800000000 ] - [ 0.0000510800000000, 0.0001212100000000, 0.0001855800000000 ] - [ 0.0000046100000000, -0.0001499500000000, -0.0001698100000000 ] - [ 0.0001249800000000, -0.0000141100000000, 0.0000001900000000 ] - [ -0.0002060400000000, 0.0000261300000000, -0.0000158500000000 ] - [ 0.0000510800000000, 0.0001212100000000, -0.0001855800000000 ] - [ 0.0000046100000000, -0.0001499500000000, 0.0001698100000000 ] - [ 0.0001249800000000, -0.0000141100000000, -0.0000001900000000 ] - [ -0.0002060400000000, 0.0000261300000000, 0.0000158500000000 ] - [ -0.0011433400000000, 0.0003058900000000, 0.0005124800000000 ] - [ 0.0003024600000000, 0.0000285200000000, -0.0000003100000000 ] - [ 0.0007956500000000, -0.0013412300000000, -0.0011459600000000 ] - [ 0.0012515100000000, 0.0011651900000000, 0.0006270400000000 ] - [ -0.0011433400000000, 0.0003058900000000, -0.0005124800000000 ] - [ 0.0003024600000000, 0.0000285200000000, 0.0000003100000000 ] - [ 0.0007956500000000, -0.0013412300000000, 0.0011459600000000 ] - [ 0.0012515100000000, 0.0011651900000000, -0.0006270400000000 ] - [ -0.0002060400000000, -0.0000261300000000, -0.0000158500000000 ] - [ 0.0001249800000000, 0.0000141100000000, 0.0000001900000000 ] - [ 0.0000510800000000, -0.0001212100000000, 0.0001855800000000 ] - [ 0.0000046100000000, 0.0001499500000000, -0.0001698100000000 ] - [ -0.0002060400000000, -0.0000261300000000, 0.0000158500000000 ] - [ 0.0001249800000000, 0.0000141100000000, -0.0000001900000000 ] - [ 0.0000510800000000, -0.0001212100000000, -0.0001855800000000 ] - [ 0.0000046100000000, 0.0001499500000000, 0.0001698100000000 ] - [ 0.0023354200000000, -0.0008461300000000, 0.0000000000000000 ] - [ -0.0005170800000000, -0.0002497800000000, 0.0000000000000000 ] - [ 0.0002323500000000, 0.0005320100000000, 0.0000000000000000 ] - [ -0.0003296200000000, -0.0002132800000000, 0.0000000000000000 ] - [ 0.0005114700000000, 0.0003329100000000, 0.0002035800000000 ] - [ -0.0002256300000000, -0.0000758500000000, -0.0001039300000000 ] - [ 0.0000220800000000, 0.0002391400000000, -0.0002027400000000 ] - [ -0.0001577600000000, -0.0000927400000000, 0.0001087400000000 ] - [ 0.0000517300000000, 0.0000506400000000, 0.0000000000000000 ] - [ -0.0000789900000000, -0.0000001500000000, 0.0000000000000000 ] - [ 0.0000245300000000, 0.0000625300000000, 0.0000000000000000 ] - [ -0.0000505900000000, -0.0000048800000000, 0.0000000000000000 ] - [ 0.0005114700000000, 0.0003329100000000, -0.0002035800000000 ] - [ -0.0002256300000000, -0.0000758500000000, 0.0001039300000000 ] - [ 0.0000220800000000, 0.0002391400000000, 0.0002027400000000 ] - [ -0.0001577600000000, -0.0000927400000000, -0.0001087400000000 ] - [ 0.0013602000000000, 0.0000000000000000, 0.0004155700000000 ] - [ 0.0084955000000000, 0.0000000000000000, 0.0065988900000000 ] - [ 0.0020809600000000, -0.0001114700000000, 0.0000226000000000 ] - [ 0.0020809600000000, 0.0001114700000000, 0.0000226000000000 ] - [ 0.0013602000000000, 0.0000000000000000, -0.0004155700000000 ] - [ 0.0084955000000000, 0.0000000000000000, -0.0065988900000000 ] - [ 0.0020809600000000, -0.0001114700000000, -0.0000226000000000 ] - [ 0.0020809600000000, 0.0001114700000000, -0.0000226000000000 ] - [ 0.0019836700000000, 0.0000000000000000, -0.0000548300000000 ] - [ 0.0021945800000000, 0.0000000000000000, 0.0000485100000000 ] - [ 0.0020882100000000, -0.0000399900000000, -0.0000007500000000 ] - [ 0.0020882100000000, 0.0000399900000000, -0.0000007500000000 ] - [ 0.0019836700000000, 0.0000000000000000, 0.0000548300000000 ] - [ 0.0021945800000000, 0.0000000000000000, -0.0000485100000000 ] - [ 0.0020882100000000, -0.0000399900000000, 0.0000007500000000 ] - [ 0.0020882100000000, 0.0000399900000000, 0.0000007500000000 ] - [ -0.0010565100000000, 0.0022185300000000, -0.0002077800000000 ] - [ -0.0011474600000000, 0.0015210300000000, 0.0000218100000000 ] - [ 0.0013048000000000, -0.0005927700000000, -0.0033715300000000 ] - [ -0.0014420800000000, 0.0018090800000000, -0.0000436300000000 ] - [ -0.0010565100000000, 0.0022185300000000, 0.0002077800000000 ] - [ -0.0011474600000000, 0.0015210300000000, -0.0000218100000000 ] - [ 0.0013048000000000, -0.0005927700000000, 0.0033715300000000 ] - [ -0.0014420800000000, 0.0018090800000000, 0.0000436300000000 ] - [ -0.0010436700000000, 0.0018662700000000, 0.0000272900000000 ] - [ -0.0010679300000000, 0.0017435000000000, -0.0000198800000000 ] - [ -0.0009437600000000, 0.0018022200000000, -0.0000242900000000 ] - [ -0.0011447800000000, 0.0017958300000000, 0.0000207200000000 ] - [ -0.0010436700000000, 0.0018662700000000, -0.0000272900000000 ] - [ -0.0010679300000000, 0.0017435000000000, 0.0000198800000000 ] - [ -0.0009437600000000, 0.0018022200000000, 0.0000242900000000 ] - [ -0.0011447800000000, 0.0017958300000000, -0.0000207200000000 ] - [ 0.0040924100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0005980500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000656300000000, 0.0001797600000000, 0.0000000000000000 ] - [ 0.0000656300000000, -0.0001797600000000, 0.0000000000000000 ] - [ 0.0000222200000000, 0.0000000000000000, -0.0004092900000000 ] - [ -0.0003089700000000, 0.0000000000000000, 0.0004081900000000 ] - [ 0.0000422700000000, 0.0000503200000000, -0.0000055500000000 ] - [ 0.0000422700000000, -0.0000503200000000, -0.0000055500000000 ] - [ 0.0000521500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000041300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000276000000000, 0.0000228500000000, 0.0000000000000000 ] - [ 0.0000276000000000, -0.0000228500000000, 0.0000000000000000 ] - [ 0.0000222200000000, 0.0000000000000000, 0.0004092900000000 ] - [ -0.0003089700000000, 0.0000000000000000, -0.0004081900000000 ] - [ 0.0000422700000000, 0.0000503200000000, 0.0000055500000000 ] - [ 0.0000422700000000, -0.0000503200000000, 0.0000055500000000 ] - [ 0.0002323500000000, -0.0005320100000000, 0.0000000000000000 ] - [ -0.0003296200000000, 0.0002132800000000, 0.0000000000000000 ] - [ -0.0005170800000000, 0.0002497800000000, 0.0000000000000000 ] - [ 0.0023354200000000, 0.0008461300000000, 0.0000000000000000 ] - [ 0.0000220800000000, -0.0002391400000000, -0.0002027400000000 ] - [ -0.0001577600000000, 0.0000927400000000, 0.0001087400000000 ] - [ -0.0002256300000000, 0.0000758500000000, -0.0001039300000000 ] - [ 0.0005114700000000, -0.0003329100000000, 0.0002035800000000 ] - [ 0.0000245300000000, -0.0000625300000000, 0.0000000000000000 ] - [ -0.0000505900000000, 0.0000048800000000, 0.0000000000000000 ] - [ -0.0000789900000000, 0.0000001500000000, 0.0000000000000000 ] - [ 0.0000517300000000, -0.0000506400000000, 0.0000000000000000 ] - [ 0.0000220800000000, -0.0002391400000000, 0.0002027400000000 ] - [ -0.0001577600000000, 0.0000927400000000, -0.0001087400000000 ] - [ -0.0002256300000000, 0.0000758500000000, 0.0001039300000000 ] - [ 0.0005114700000000, -0.0003329100000000, -0.0002035800000000 ] - [ 0.0013048000000000, 0.0005927700000000, -0.0033715300000000 ] - [ -0.0014420800000000, -0.0018090800000000, -0.0000436300000000 ] - [ -0.0011474600000000, -0.0015210300000000, 0.0000218100000000 ] - [ -0.0010565100000000, -0.0022185300000000, -0.0002077800000000 ] - [ 0.0013048000000000, 0.0005927700000000, 0.0033715300000000 ] - [ -0.0014420800000000, -0.0018090800000000, 0.0000436300000000 ] - [ -0.0011474600000000, -0.0015210300000000, -0.0000218100000000 ] - [ -0.0010565100000000, -0.0022185300000000, 0.0002077800000000 ] - [ -0.0009437600000000, -0.0018022200000000, -0.0000242900000000 ] - [ -0.0011447800000000, -0.0017958300000000, 0.0000207200000000 ] - [ -0.0010679300000000, -0.0017435000000000, -0.0000198800000000 ] - [ -0.0010436700000000, -0.0018662700000000, 0.0000272900000000 ] - [ -0.0009437600000000, -0.0018022200000000, 0.0000242900000000 ] - [ -0.0011447800000000, -0.0017958300000000, -0.0000207200000000 ] - [ -0.0010679300000000, -0.0017435000000000, 0.0000198800000000 ] - [ -0.0010436700000000, -0.0018662700000000, -0.0000272900000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0298713000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0012087600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001941800000000, 0.0005846300000000, 0.0000000000000000 ] - [ -0.0001941800000000, -0.0005846300000000, 0.0000000000000000 ] - [ 0.0018059800000000, 0.0000000000000000, -0.0000020800000000 ] - [ -0.0005377900000000, 0.0000000000000000, -0.0001401900000000 ] - [ -0.0000571400000000, 0.0002782100000000, 0.0000707800000000 ] - [ -0.0000571400000000, -0.0002782100000000, 0.0000707800000000 ] - [ 0.0001750600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001404300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000059200000000, 0.0000777300000000, 0.0000000000000000 ] - [ -0.0000059200000000, -0.0000777300000000, 0.0000000000000000 ] - [ 0.0018059800000000, 0.0000000000000000, 0.0000020800000000 ] - [ -0.0005377900000000, 0.0000000000000000, 0.0001401900000000 ] - [ -0.0000571400000000, 0.0002782100000000, -0.0000707800000000 ] - [ -0.0000571400000000, -0.0002782100000000, -0.0000707800000000 ] - [ -0.0007990300000000, -0.0013343100000000, 0.0011380100000000 ] - [ -0.0012510800000000, 0.0011689000000000, -0.0006301400000000 ] - [ -0.0003021600000000, 0.0000278100000000, -0.0000002800000000 ] - [ 0.0011464400000000, 0.0003094900000000, -0.0005142600000000 ] - [ -0.0007990300000000, -0.0013343100000000, -0.0011380100000000 ] - [ -0.0012510800000000, 0.0011689000000000, 0.0006301400000000 ] - [ -0.0003021600000000, 0.0000278100000000, 0.0000002800000000 ] - [ 0.0011464400000000, 0.0003094900000000, 0.0005142600000000 ] - [ -0.0000513600000000, -0.0001203600000000, -0.0001859500000000 ] - [ -0.0000042100000000, 0.0001500100000000, 0.0001699400000000 ] - [ -0.0001248600000000, 0.0000141300000000, 0.0000001200000000 ] - [ 0.0002072200000000, -0.0000258100000000, 0.0000157500000000 ] - [ -0.0000513600000000, -0.0001203600000000, 0.0001859500000000 ] - [ -0.0000042100000000, 0.0001500100000000, -0.0001699400000000 ] - [ -0.0001248600000000, 0.0000141300000000, -0.0000001200000000 ] - [ 0.0002072200000000, -0.0000258100000000, -0.0000157500000000 ] - [ 0.0011464400000000, -0.0003094900000000, -0.0005142600000000 ] - [ -0.0003021600000000, -0.0000278100000000, -0.0000002800000000 ] - [ -0.0007990300000000, 0.0013343100000000, 0.0011380100000000 ] - [ -0.0012510800000000, -0.0011689000000000, -0.0006301400000000 ] - [ 0.0011464400000000, -0.0003094900000000, 0.0005142600000000 ] - [ -0.0003021600000000, -0.0000278100000000, 0.0000002800000000 ] - [ -0.0007990300000000, 0.0013343100000000, -0.0011380100000000 ] - [ -0.0012510800000000, -0.0011689000000000, 0.0006301400000000 ] - [ 0.0002072200000000, 0.0000258100000000, 0.0000157500000000 ] - [ -0.0001248600000000, -0.0000141300000000, 0.0000001200000000 ] - [ -0.0000513600000000, 0.0001203600000000, -0.0001859500000000 ] - [ -0.0000042100000000, -0.0001500100000000, 0.0001699400000000 ] - [ 0.0002072200000000, 0.0000258100000000, -0.0000157500000000 ] - [ -0.0001248600000000, -0.0000141300000000, -0.0000001200000000 ] - [ -0.0000513600000000, 0.0001203600000000, 0.0001859500000000 ] - [ -0.0000042100000000, -0.0001500100000000, -0.0001699400000000 ] - [ -0.0023986200000000, 0.0009472700000000, 0.0000000000000000 ] - [ 0.0004875000000000, 0.0002985900000000, 0.0000000000000000 ] - [ -0.0002595100000000, -0.0004797100000000, 0.0000000000000000 ] - [ 0.0003010600000000, 0.0002640600000000, 0.0000000000000000 ] - [ -0.0005402300000000, -0.0002841800000000, -0.0002054300000000 ] - [ 0.0001974000000000, 0.0001257700000000, 0.0001031900000000 ] - [ -0.0000486100000000, -0.0001916400000000, 0.0002049200000000 ] - [ 0.0001294600000000, 0.0001432100000000, -0.0001093300000000 ] - [ -0.0000802200000000, -0.0000004700000000, 0.0000000000000000 ] - [ 0.0000513700000000, 0.0000506200000000, 0.0000000000000000 ] - [ -0.0000527700000000, -0.0000124500000000, 0.0000000000000000 ] - [ 0.0000217600000000, 0.0000548800000000, 0.0000000000000000 ] - [ -0.0005402300000000, -0.0002841800000000, 0.0002054300000000 ] - [ 0.0001974000000000, 0.0001257700000000, -0.0001031900000000 ] - [ -0.0000486100000000, -0.0001916400000000, -0.0002049200000000 ] - [ 0.0001294600000000, 0.0001432100000000, 0.0001093300000000 ] - [ 0.0028117300000000, 0.0000000000000000, -0.0004142800000000 ] - [ -0.0044627900000000, 0.0000000000000000, -0.0068144600000000 ] - [ 0.0020921600000000, 0.0001116900000000, -0.0000221900000000 ] - [ 0.0020921600000000, -0.0001116900000000, -0.0000221900000000 ] - [ 0.0028117300000000, 0.0000000000000000, 0.0004142800000000 ] - [ -0.0044627900000000, 0.0000000000000000, 0.0068144600000000 ] - [ 0.0020921600000000, 0.0001116900000000, 0.0000221900000000 ] - [ 0.0020921600000000, -0.0001116900000000, 0.0000221900000000 ] - [ 0.0021898100000000, 0.0000000000000000, 0.0000546600000000 ] - [ 0.0019782000000000, 0.0000000000000000, -0.0000485600000000 ] - [ 0.0020848900000000, 0.0000403300000000, 0.0000009100000000 ] - [ 0.0020848900000000, -0.0000403300000000, 0.0000009100000000 ] - [ 0.0021898100000000, 0.0000000000000000, -0.0000546600000000 ] - [ 0.0019782000000000, 0.0000000000000000, 0.0000485600000000 ] - [ 0.0020848900000000, 0.0000403300000000, -0.0000009100000000 ] - [ 0.0020848900000000, -0.0000403300000000, -0.0000009100000000 ] - [ -0.0010309000000000, 0.0013953000000000, 0.0002071700000000 ] - [ -0.0009394100000000, 0.0020921700000000, -0.0000215400000000 ] - [ -0.0033924500000000, 0.0041772400000000, 0.0033351900000000 ] - [ -0.0006445700000000, 0.0018055600000000, 0.0000445500000000 ] - [ -0.0010309000000000, 0.0013953000000000, -0.0002071700000000 ] - [ -0.0009394100000000, 0.0020921700000000, 0.0000215400000000 ] - [ -0.0033924500000000, 0.0041772400000000, -0.0033351900000000 ] - [ -0.0006445700000000, 0.0018055600000000, -0.0000445500000000 ] - [ -0.0010433100000000, 0.0017475500000000, -0.0000274700000000 ] - [ -0.0010186300000000, 0.0018704600000000, 0.0000199600000000 ] - [ -0.0011433500000000, 0.0018119200000000, 0.0000242600000000 ] - [ -0.0009422800000000, 0.0018180800000000, -0.0000208500000000 ] - [ -0.0010433100000000, 0.0017475500000000, 0.0000274700000000 ] - [ -0.0010186300000000, 0.0018704600000000, -0.0000199600000000 ] - [ -0.0011433500000000, 0.0018119200000000, -0.0000242600000000 ] - [ -0.0009422800000000, 0.0018180800000000, 0.0000208500000000 ] - [ -0.0037517600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0006618700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000064900000000, -0.0001796600000000, 0.0000000000000000 ] - [ -0.0000064900000000, 0.0001796600000000, 0.0000000000000000 ] - [ 0.0000379100000000, 0.0000000000000000, 0.0004089400000000 ] - [ 0.0003648700000000, 0.0000000000000000, -0.0004071200000000 ] - [ 0.0000168900000000, -0.0000500600000000, 0.0000054000000000 ] - [ 0.0000168900000000, 0.0000500600000000, 0.0000054000000000 ] - [ 0.0000071100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000550000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000316400000000, -0.0000228700000000, 0.0000000000000000 ] - [ 0.0000316400000000, 0.0000228700000000, 0.0000000000000000 ] - [ 0.0000379100000000, 0.0000000000000000, -0.0004089400000000 ] - [ 0.0003648700000000, 0.0000000000000000, 0.0004071200000000 ] - [ 0.0000168900000000, -0.0000500600000000, -0.0000054000000000 ] - [ 0.0000168900000000, 0.0000500600000000, -0.0000054000000000 ] - [ -0.0002595100000000, 0.0004797100000000, 0.0000000000000000 ] - [ 0.0003010600000000, -0.0002640600000000, 0.0000000000000000 ] - [ 0.0004875000000000, -0.0002985900000000, 0.0000000000000000 ] - [ -0.0023986200000000, -0.0009472700000000, 0.0000000000000000 ] - [ -0.0000486100000000, 0.0001916400000000, 0.0002049200000000 ] - [ 0.0001294600000000, -0.0001432100000000, -0.0001093300000000 ] - [ 0.0001974000000000, -0.0001257700000000, 0.0001031900000000 ] - [ -0.0005402300000000, 0.0002841800000000, -0.0002054300000000 ] - [ -0.0000527700000000, 0.0000124500000000, 0.0000000000000000 ] - [ 0.0000217600000000, -0.0000548800000000, 0.0000000000000000 ] - [ 0.0000513700000000, -0.0000506200000000, 0.0000000000000000 ] - [ -0.0000802200000000, 0.0000004700000000, 0.0000000000000000 ] - [ -0.0000486100000000, 0.0001916400000000, -0.0002049200000000 ] - [ 0.0001294600000000, -0.0001432100000000, 0.0001093300000000 ] - [ 0.0001974000000000, -0.0001257700000000, -0.0001031900000000 ] - [ -0.0005402300000000, 0.0002841800000000, 0.0002054300000000 ] - [ -0.0033924500000000, -0.0041772400000000, 0.0033351900000000 ] - [ -0.0006445700000000, -0.0018055600000000, 0.0000445500000000 ] - [ -0.0009394100000000, -0.0020921700000000, -0.0000215400000000 ] - [ -0.0010309000000000, -0.0013953000000000, 0.0002071700000000 ] - [ -0.0033924500000000, -0.0041772400000000, -0.0033351900000000 ] - [ -0.0006445700000000, -0.0018055600000000, -0.0000445500000000 ] - [ -0.0009394100000000, -0.0020921700000000, 0.0000215400000000 ] - [ -0.0010309000000000, -0.0013953000000000, -0.0002071700000000 ] - [ -0.0011433500000000, -0.0018119200000000, 0.0000242600000000 ] - [ -0.0009422800000000, -0.0018180800000000, -0.0000208500000000 ] - [ -0.0010186300000000, -0.0018704600000000, 0.0000199600000000 ] - [ -0.0010433100000000, -0.0017475500000000, -0.0000274700000000 ] - [ -0.0011433500000000, -0.0018119200000000, -0.0000242600000000 ] - [ -0.0009422800000000, -0.0018180800000000, 0.0000208500000000 ] - [ -0.0010186300000000, -0.0018704600000000, -0.0000199600000000 ] - [ -0.0010433100000000, -0.0017475500000000, 0.0000274700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0514837900000000 ] - [ -0.0000010900000000, 0.0000000000000000, -0.0004811800000000 ] - [ 0.0000005500000000, -0.0000009400000000, -0.0004811800000000 ] - [ 0.0000005500000000, 0.0000009400000000, -0.0004811800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035204400000000 ] - [ -0.0001410700000000, 0.0000000000000000, 0.0000131700000000 ] - [ 0.0000705400000000, -0.0001221700000000, 0.0000131700000000 ] - [ 0.0000705400000000, 0.0001221700000000, 0.0000131700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009614000000000 ] - [ 0.0000000800000000, 0.0000000000000000, 0.0004742000000000 ] - [ -0.0000000400000000, 0.0000000700000000, 0.0004742000000000 ] - [ -0.0000000400000000, -0.0000000700000000, 0.0004742000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034917700000000 ] - [ 0.0001413100000000, 0.0000000000000000, 0.0000137300000000 ] - [ -0.0000706600000000, 0.0001223800000000, 0.0000137300000000 ] - [ -0.0000706600000000, -0.0001223800000000, 0.0000137300000000 ] - [ -0.0017092600000000, -0.0002956100000000, -0.0005981700000000 ] - [ 0.0011106400000000, -0.0013324600000000, -0.0005981700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002714700000000 ] - [ 0.0005986200000000, 0.0016280700000000, -0.0005981700000000 ] - [ 0.0017122000000000, 0.0002930100000000, -0.0006004200000000 ] - [ -0.0011098600000000, 0.0013363000000000, -0.0006004200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002723100000000 ] - [ -0.0006023400000000, -0.0016293100000000, -0.0006004200000000 ] - [ 0.0002558000000000, 0.0001425100000000, 0.0005545300000000 ] - [ -0.0002513200000000, 0.0001502700000000, 0.0005545300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002751400000000 ] - [ -0.0000044800000000, -0.0002927800000000, 0.0005545300000000 ] - [ -0.0002553300000000, -0.0001413100000000, 0.0005545100000000 ] - [ 0.0002500400000000, -0.0001504700000000, 0.0005545100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002752300000000 ] - [ 0.0000052900000000, 0.0002917800000000, 0.0005545100000000 ] - [ 0.0005986200000000, -0.0016280700000000, -0.0005981700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002714700000000 ] - [ -0.0017092600000000, 0.0002956100000000, -0.0005981700000000 ] - [ 0.0011106400000000, 0.0013324600000000, -0.0005981700000000 ] - [ -0.0006023400000000, 0.0016293100000000, -0.0006004200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002723100000000 ] - [ 0.0017122000000000, -0.0002930100000000, -0.0006004200000000 ] - [ -0.0011098600000000, -0.0013363000000000, -0.0006004200000000 ] - [ -0.0000044800000000, 0.0002927800000000, 0.0005545300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002751400000000 ] - [ 0.0002558000000000, -0.0001425100000000, 0.0005545300000000 ] - [ -0.0002513200000000, -0.0001502700000000, 0.0005545300000000 ] - [ 0.0000052900000000, -0.0002917800000000, 0.0005545100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002752300000000 ] - [ -0.0002553300000000, 0.0001413100000000, 0.0005545100000000 ] - [ 0.0002500400000000, 0.0001504700000000, 0.0005545100000000 ] - [ -0.0000161800000000, 0.0000280200000000, 0.0017726300000000 ] - [ -0.0000144600000000, 0.0000256000000000, 0.0003707900000000 ] - [ -0.0000156700000000, 0.0000271300000000, 0.0010868300000000 ] - [ -0.0000149400000000, 0.0000253200000000, 0.0003707900000000 ] - [ 0.0002382600000000, -0.0004126700000000, -0.0005356100000000 ] - [ -0.0001535900000000, -0.0000430000000000, -0.0000662400000000 ] - [ -0.0002322700000000, 0.0004023100000000, -0.0004482500000000 ] - [ 0.0001140300000000, 0.0001115200000000, -0.0000662400000000 ] - [ -0.0000145900000000, 0.0000252800000000, -0.0003573500000000 ] - [ -0.0000147400000000, 0.0000253200000000, -0.0002359200000000 ] - [ -0.0000147500000000, 0.0000255500000000, -0.0003392700000000 ] - [ -0.0000145600000000, 0.0000254200000000, -0.0002359200000000 ] - [ -0.0002660500000000, 0.0004608100000000, -0.0005330900000000 ] - [ 0.0001241200000000, 0.0000937200000000, -0.0000663100000000 ] - [ 0.0002045500000000, -0.0003543000000000, -0.0004503400000000 ] - [ -0.0001432200000000, -0.0000606300000000, -0.0000663100000000 ] - [ 0.0021518900000000, 0.0000000000000000, 0.0002663700000000 ] - [ 0.0075386400000000, 0.0000000000000000, 0.0075227500000000 ] - [ 0.0021698600000000, 0.0001004100000000, 0.0001527400000000 ] - [ 0.0021698600000000, -0.0001004100000000, 0.0001527400000000 ] - [ 0.0020222400000000, 0.0000000000000000, 0.0002687000000000 ] - [ -0.0035808800000000, 0.0000000000000000, 0.0077218800000000 ] - [ 0.0020031100000000, -0.0001008600000000, 0.0001526600000000 ] - [ 0.0020031100000000, 0.0001008600000000, 0.0001526600000000 ] - [ 0.0019476500000000, 0.0000000000000000, -0.0002035400000000 ] - [ 0.0022688300000000, 0.0000000000000000, -0.0004485900000000 ] - [ 0.0020782000000000, -0.0000674700000000, -0.0001572300000000 ] - [ 0.0020782000000000, 0.0000674700000000, -0.0001572300000000 ] - [ 0.0022247400000000, 0.0000000000000000, -0.0002032900000000 ] - [ 0.0019053000000000, 0.0000000000000000, -0.0004476400000000 ] - [ 0.0020948100000000, 0.0000675400000000, -0.0001575000000000 ] - [ 0.0020948100000000, -0.0000675400000000, -0.0001575000000000 ] - [ -0.0010759500000000, 0.0018635900000000, 0.0002663700000000 ] - [ -0.0009979700000000, 0.0019293600000000, 0.0001527400000000 ] - [ -0.0037693200000000, 0.0065286500000000, 0.0075227500000000 ] - [ -0.0011718900000000, 0.0018289500000000, 0.0001527400000000 ] - [ -0.0010111200000000, 0.0017513100000000, 0.0002687000000000 ] - [ -0.0010889100000000, 0.0016843100000000, 0.0001526600000000 ] - [ 0.0017904400000000, -0.0031011300000000, 0.0077218800000000 ] - [ -0.0009142000000000, 0.0017851800000000, 0.0001526600000000 ] - [ -0.0009738300000000, 0.0016867200000000, -0.0002035400000000 ] - [ -0.0010975300000000, 0.0017660300000000, -0.0001572300000000 ] - [ -0.0011344200000000, 0.0019648600000000, -0.0004485900000000 ] - [ -0.0009806600000000, 0.0018335100000000, -0.0001572300000000 ] - [ -0.0011123700000000, 0.0019266800000000, -0.0002032900000000 ] - [ -0.0009889200000000, 0.0018479300000000, -0.0001575000000000 ] - [ -0.0009526500000000, 0.0016500400000000, -0.0004476400000000 ] - [ -0.0011059000000000, 0.0017803900000000, -0.0001575000000000 ] - [ 0.0000323500000000, 0.0000000000000000, 0.0017726300000000 ] - [ 0.0000313300000000, 0.0000000000000000, 0.0010868300000000 ] - [ 0.0000294000000000, 0.0000002800000000, 0.0003707900000000 ] - [ 0.0000294000000000, -0.0000002800000000, 0.0003707900000000 ] - [ -0.0004765200000000, 0.0000000000000000, -0.0005356100000000 ] - [ 0.0004645500000000, 0.0000000000000000, -0.0004482500000000 ] - [ 0.0000395600000000, -0.0001545100000000, -0.0000662400000000 ] - [ 0.0000395600000000, 0.0001545100000000, -0.0000662400000000 ] - [ 0.0000291900000000, 0.0000000000000000, -0.0003573500000000 ] - [ 0.0000295000000000, 0.0000000000000000, -0.0003392700000000 ] - [ 0.0000293000000000, -0.0000001000000000, -0.0002359200000000 ] - [ 0.0000293000000000, 0.0000001000000000, -0.0002359200000000 ] - [ 0.0005321000000000, 0.0000000000000000, -0.0005330900000000 ] - [ -0.0004091000000000, 0.0000000000000000, -0.0004503400000000 ] - [ 0.0000191000000000, 0.0001543500000000, -0.0000663100000000 ] - [ 0.0000191000000000, -0.0001543500000000, -0.0000663100000000 ] - [ -0.0000156700000000, -0.0000271300000000, 0.0010868300000000 ] - [ -0.0000149400000000, -0.0000253200000000, 0.0003707900000000 ] - [ -0.0000144600000000, -0.0000256000000000, 0.0003707900000000 ] - [ -0.0000161800000000, -0.0000280200000000, 0.0017726300000000 ] - [ -0.0002322700000000, -0.0004023100000000, -0.0004482500000000 ] - [ 0.0001140300000000, -0.0001115200000000, -0.0000662400000000 ] - [ -0.0001535900000000, 0.0000430000000000, -0.0000662400000000 ] - [ 0.0002382600000000, 0.0004126700000000, -0.0005356100000000 ] - [ -0.0000147500000000, -0.0000255500000000, -0.0003392700000000 ] - [ -0.0000145600000000, -0.0000254200000000, -0.0002359200000000 ] - [ -0.0000147400000000, -0.0000253200000000, -0.0002359200000000 ] - [ -0.0000145900000000, -0.0000252800000000, -0.0003573500000000 ] - [ 0.0002045500000000, 0.0003543000000000, -0.0004503400000000 ] - [ -0.0001432200000000, 0.0000606300000000, -0.0000663100000000 ] - [ 0.0001241200000000, -0.0000937200000000, -0.0000663100000000 ] - [ -0.0002660500000000, -0.0004608100000000, -0.0005330900000000 ] - [ -0.0037693200000000, -0.0065286500000000, 0.0075227500000000 ] - [ -0.0011718900000000, -0.0018289500000000, 0.0001527400000000 ] - [ -0.0009979700000000, -0.0019293600000000, 0.0001527400000000 ] - [ -0.0010759500000000, -0.0018635900000000, 0.0002663700000000 ] - [ 0.0017904400000000, 0.0031011300000000, 0.0077218800000000 ] - [ -0.0009142000000000, -0.0017851800000000, 0.0001526600000000 ] - [ -0.0010889100000000, -0.0016843100000000, 0.0001526600000000 ] - [ -0.0010111200000000, -0.0017513100000000, 0.0002687000000000 ] - [ -0.0011344200000000, -0.0019648600000000, -0.0004485900000000 ] - [ -0.0009806600000000, -0.0018335100000000, -0.0001572300000000 ] - [ -0.0010975300000000, -0.0017660300000000, -0.0001572300000000 ] - [ -0.0009738300000000, -0.0016867200000000, -0.0002035400000000 ] - [ -0.0009526500000000, -0.0016500400000000, -0.0004476400000000 ] - [ -0.0011059000000000, -0.0017803900000000, -0.0001575000000000 ] - [ -0.0009889200000000, -0.0018479300000000, -0.0001575000000000 ] - [ -0.0011123700000000, -0.0019266800000000, -0.0002032900000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0007950200000000, 0.0014235200000000, -0.0017070000000000 ] - [ 0.0012502400000000, -0.0010797300000000, 0.0011098300000000 ] - [ 0.0003010600000000, 0.0000265300000000, 0.0000001800000000 ] - [ -0.0011444700000000, -0.0002194400000000, 0.0005978800000000 ] - [ 0.0000501000000000, 0.0001205000000000, -0.0002555100000000 ] - [ 0.0000033400000000, -0.0001500300000000, 0.0002507600000000 ] - [ 0.0001237400000000, 0.0000120900000000, 0.0000000300000000 ] - [ -0.0002080800000000, 0.0000261900000000, 0.0000049700000000 ] - [ 0.0000501000000000, 0.0001205000000000, 0.0002555100000000 ] - [ 0.0000033400000000, -0.0001500300000000, -0.0002507600000000 ] - [ 0.0001237400000000, 0.0000120900000000, -0.0000000300000000 ] - [ -0.0002080800000000, 0.0000261900000000, -0.0000049700000000 ] - [ 0.0007950200000000, 0.0014235200000000, 0.0017070000000000 ] - [ 0.0012502400000000, -0.0010797300000000, -0.0011098300000000 ] - [ 0.0003010600000000, 0.0000265300000000, -0.0000001800000000 ] - [ -0.0011444700000000, -0.0002194400000000, -0.0005978800000000 ] - [ -0.0318498100000000, 0.0001052200000000, 0.0000000000000000 ] - [ 0.0013114000000000, -0.0000337400000000, 0.0000000000000000 ] - [ 0.0001313200000000, -0.0006465000000000, 0.0000000000000000 ] - [ 0.0001889800000000, 0.0006808700000000, 0.0000000000000000 ] - [ -0.0020742600000000, -0.0000009800000000, -0.0000019500000000 ] - [ 0.0007322200000000, 0.0000375500000000, -0.0001143100000000 ] - [ 0.0001136800000000, -0.0003943000000000, 0.0000552200000000 ] - [ 0.0000489800000000, 0.0003581200000000, 0.0000594500000000 ] - [ -0.0003006400000000, 0.0000002500000000, 0.0000000000000000 ] - [ 0.0002316900000000, -0.0000134200000000, 0.0000000000000000 ] - [ 0.0000050300000000, -0.0001165500000000, 0.0000000000000000 ] - [ 0.0000288800000000, 0.0001312700000000, 0.0000000000000000 ] - [ -0.0020742600000000, -0.0000009800000000, 0.0000019500000000 ] - [ 0.0007322200000000, 0.0000375500000000, 0.0001143100000000 ] - [ 0.0001136800000000, -0.0003943000000000, -0.0000552200000000 ] - [ 0.0000489800000000, 0.0003581200000000, -0.0000594500000000 ] - [ 0.0020796000000000, -0.0025898000000000, 0.0000000000000000 ] - [ 0.0020896800000000, 0.0019298300000000, 0.0000000000000000 ] - [ -0.0018285000000000, -0.0003356900000000, 0.0000000000000000 ] - [ 0.0005280700000000, 0.0002299300000000, 0.0000000000000000 ] - [ 0.0006709600000000, -0.0003317600000000, -0.0007303500000000 ] - [ 0.0006701700000000, 0.0009899000000000, 0.0010041800000000 ] - [ -0.0004764100000000, 0.0003297700000000, -0.0002752200000000 ] - [ 0.0002385500000000, 0.0000155800000000, 0.0000000100000000 ] - [ 0.0000306200000000, -0.0000664900000000, 0.0000000000000000 ] - [ 0.0000305900000000, 0.0000949600000000, 0.0000000000000000 ] - [ -0.0001091400000000, 0.0000141200000000, 0.0000000000000000 ] - [ 0.0000768300000000, -0.0000251700000000, 0.0000000000000000 ] - [ 0.0006709600000000, -0.0003317600000000, 0.0007303500000000 ] - [ 0.0006701700000000, 0.0009899000000000, -0.0010041800000000 ] - [ -0.0004764100000000, 0.0003297700000000, 0.0002752200000000 ] - [ 0.0002385500000000, 0.0000155800000000, -0.0000000100000000 ] - [ -0.0008012600000000, 0.0000076300000000, 0.0004389600000000 ] - [ 0.0009758900000000, -0.0002218300000000, -0.0004405700000000 ] - [ 0.0000152300000000, -0.0001305100000000, -0.0000011800000000 ] - [ -0.0000167100000000, 0.0001383800000000, -0.0000224900000000 ] - [ -0.0001390700000000, 0.0000087800000000, 0.0000956200000000 ] - [ 0.0001079300000000, 0.0000521500000000, -0.0001611200000000 ] - [ -0.0000230000000000, -0.0000430200000000, 0.0000294400000000 ] - [ -0.0000045600000000, 0.0001039600000000, 0.0000079000000000 ] - [ -0.0001390700000000, 0.0000087800000000, -0.0000956200000000 ] - [ 0.0001079300000000, 0.0000521500000000, 0.0001611200000000 ] - [ -0.0000230000000000, -0.0000430200000000, -0.0000294400000000 ] - [ -0.0000045600000000, 0.0001039600000000, -0.0000079000000000 ] - [ -0.0008012600000000, 0.0000076300000000, -0.0004389600000000 ] - [ 0.0009758900000000, -0.0002218300000000, 0.0004405700000000 ] - [ 0.0000152300000000, -0.0001305100000000, 0.0000011800000000 ] - [ -0.0000167100000000, 0.0001383800000000, 0.0000224900000000 ] - [ 0.0091323500000000, -0.0071635100000000, 0.0000000000000000 ] - [ 0.0013237700000000, -0.0003133000000000, 0.0000000000000000 ] - [ 0.0024565500000000, 0.0004065900000000, 0.0000000000000000 ] - [ 0.0018339800000000, -0.0002659900000000, 0.0000000000000000 ] - [ 0.0025254700000000, 0.0002280100000000, -0.0001871400000000 ] - [ 0.0018027200000000, -0.0000478300000000, 0.0001660900000000 ] - [ 0.0021823800000000, 0.0003654200000000, 0.0001909500000000 ] - [ 0.0019269300000000, -0.0001635700000000, -0.0000204200000000 ] - [ 0.0021840600000000, 0.0000315900000000, 0.0000000000000000 ] - [ 0.0019887600000000, -0.0000176200000000, 0.0000000000000000 ] - [ 0.0021289500000000, 0.0000444800000000, 0.0000000000000000 ] - [ 0.0020521600000000, -0.0000508100000000, 0.0000000000000000 ] - [ 0.0025254700000000, 0.0002280100000000, 0.0001871400000000 ] - [ 0.0018027200000000, -0.0000478300000000, -0.0001660900000000 ] - [ 0.0021823800000000, 0.0003654200000000, -0.0001909500000000 ] - [ 0.0019269300000000, -0.0001635700000000, 0.0000204200000000 ] - [ -0.0015152700000000, 0.0019277500000000, 0.0000000000000000 ] - [ 0.0015628500000000, 0.0061130400000000, 0.0000000000000000 ] - [ -0.0008698400000000, 0.0010729900000000, 0.0000000000000000 ] - [ -0.0014018900000000, 0.0021802500000000, 0.0000000000000000 ] - [ -0.0012894800000000, 0.0018980300000000, 0.0000532600000000 ] - [ -0.0005014600000000, 0.0015625300000000, -0.0001586700000000 ] - [ -0.0009622100000000, 0.0015828000000000, 0.0001636100000000 ] - [ -0.0011508800000000, 0.0019997900000000, -0.0001601300000000 ] - [ -0.0011233300000000, 0.0018249300000000, 0.0000000000000000 ] - [ -0.0009531000000000, 0.0017754200000000, 0.0000000000000000 ] - [ -0.0010109600000000, 0.0017498200000000, 0.0000000000000000 ] - [ -0.0010772600000000, 0.0018634900000000, 0.0000000000000000 ] - [ -0.0012894800000000, 0.0018980300000000, -0.0000532600000000 ] - [ -0.0005014600000000, 0.0015625300000000, 0.0001586700000000 ] - [ -0.0009622100000000, 0.0015828000000000, -0.0001636100000000 ] - [ -0.0011508800000000, 0.0019997900000000, 0.0001601300000000 ] - [ 0.0013344400000000, -0.0003294800000000, 0.0000751300000000 ] - [ -0.0003251400000000, 0.0000585000000000, -0.0000098800000000 ] - [ -0.0001024800000000, 0.0003970200000000, 0.0001061700000000 ] - [ 0.0000160800000000, -0.0004950900000000, -0.0001178100000000 ] - [ 0.0001538500000000, -0.0000084000000000, 0.0000435200000000 ] - [ -0.0000975500000000, 0.0000487000000000, -0.0000315600000000 ] - [ -0.0000015800000000, 0.0000894900000000, 0.0000590900000000 ] - [ 0.0000609300000000, -0.0001100400000000, -0.0000636600000000 ] - [ 0.0001538500000000, -0.0000084000000000, -0.0000435200000000 ] - [ -0.0000975500000000, 0.0000487000000000, 0.0000315600000000 ] - [ -0.0000015800000000, 0.0000894900000000, -0.0000590900000000 ] - [ 0.0000609300000000, -0.0001100400000000, 0.0000636600000000 ] - [ 0.0013344400000000, -0.0003294800000000, -0.0000751300000000 ] - [ -0.0003251400000000, 0.0000585000000000, 0.0000098800000000 ] - [ -0.0001024800000000, 0.0003970200000000, -0.0001061700000000 ] - [ 0.0000160800000000, -0.0004950900000000, 0.0001178100000000 ] - [ 0.0011560500000000, 0.0000031200000000, 0.0004181200000000 ] - [ -0.0005450400000000, -0.0000454200000000, -0.0001059800000000 ] - [ -0.0000023600000000, 0.0003895200000000, -0.0003218000000000 ] - [ -0.0001452700000000, -0.0002449100000000, 0.0000324600000000 ] - [ 0.0001394000000000, -0.0000148800000000, 0.0001175400000000 ] - [ -0.0001710600000000, -0.0000347000000000, -0.0000884500000000 ] - [ 0.0000199100000000, 0.0000463100000000, -0.0000319400000000 ] - [ -0.0000475700000000, -0.0000806200000000, 0.0000237100000000 ] - [ 0.0001394000000000, -0.0000148800000000, -0.0001175400000000 ] - [ -0.0001710600000000, -0.0000347000000000, 0.0000884500000000 ] - [ 0.0000199100000000, 0.0000463100000000, 0.0000319400000000 ] - [ -0.0000475700000000, -0.0000806200000000, -0.0000237100000000 ] - [ 0.0011560500000000, 0.0000031200000000, -0.0004181200000000 ] - [ -0.0005450400000000, -0.0000454200000000, 0.0001059800000000 ] - [ -0.0000023600000000, 0.0003895200000000, 0.0003218000000000 ] - [ -0.0001452700000000, -0.0002449100000000, -0.0000324600000000 ] - [ 0.0132617600000000, 0.0005280200000000, 0.0000000000000000 ] - [ -0.0017622800000000, -0.0018011300000000, 0.0000000000000000 ] - [ -0.0010709000000000, -0.0016886700000000, 0.0000000000000000 ] - [ -0.0010096800000000, -0.0021228100000000, 0.0000000000000000 ] - [ -0.0009607300000000, -0.0019043700000000, 0.0003443300000000 ] - [ -0.0014641900000000, -0.0017244400000000, -0.0003537900000000 ] - [ -0.0010255300000000, -0.0017683800000000, -0.0000329800000000 ] - [ -0.0010307000000000, -0.0018873500000000, -0.0000064900000000 ] - [ -0.0010040500000000, -0.0018005100000000, 0.0000000000000000 ] - [ -0.0010938700000000, -0.0018044800000000, 0.0000000000000000 ] - [ -0.0010408600000000, -0.0017836800000000, 0.0000000000000000 ] - [ -0.0010449700000000, -0.0018427300000000, 0.0000000000000000 ] - [ -0.0009607300000000, -0.0019043700000000, -0.0003443300000000 ] - [ -0.0014641900000000, -0.0017244400000000, 0.0003537900000000 ] - [ -0.0010255300000000, -0.0017683800000000, 0.0000329800000000 ] - [ -0.0010307000000000, -0.0018873500000000, 0.0000064900000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007998200000000, -0.0014347300000000, 0.0017145300000000 ] - [ -0.0012524700000000, 0.0010717100000000, -0.0011107000000000 ] - [ -0.0003036100000000, -0.0000298300000000, 0.0000001900000000 ] - [ 0.0011452800000000, 0.0002134300000000, -0.0006030900000000 ] - [ -0.0000524400000000, -0.0001254200000000, 0.0002555800000000 ] - [ -0.0000057100000000, 0.0001456800000000, -0.0002505800000000 ] - [ -0.0001261600000000, -0.0000162900000000, 0.0000000300000000 ] - [ 0.0002051500000000, -0.0000299200000000, -0.0000048200000000 ] - [ -0.0000524400000000, -0.0001254200000000, -0.0002555800000000 ] - [ -0.0000057100000000, 0.0001456800000000, 0.0002505800000000 ] - [ -0.0001261600000000, -0.0000162900000000, -0.0000000300000000 ] - [ 0.0002051500000000, -0.0000299200000000, 0.0000048200000000 ] - [ -0.0007998200000000, -0.0014347300000000, -0.0017145300000000 ] - [ -0.0012524700000000, 0.0010717100000000, 0.0011107000000000 ] - [ -0.0003036100000000, -0.0000298300000000, -0.0000001900000000 ] - [ 0.0011452800000000, 0.0002134300000000, 0.0006030900000000 ] - [ 0.0322487100000000, 0.0001067600000000, 0.0000000000000000 ] - [ -0.0013117900000000, 0.0000340300000000, 0.0000000000000000 ] - [ -0.0001312700000000, 0.0006486000000000, 0.0000000000000000 ] - [ -0.0001910400000000, -0.0006819700000000, 0.0000000000000000 ] - [ 0.0020711100000000, -0.0000010900000000, -0.0000019300000000 ] - [ -0.0007336200000000, -0.0000369300000000, 0.0001154400000000 ] - [ -0.0001137500000000, 0.0003953700000000, -0.0000554500000000 ] - [ -0.0000492300000000, -0.0003569200000000, -0.0000596900000000 ] - [ 0.0003002000000000, 0.0000001400000000, 0.0000000000000000 ] - [ -0.0002320300000000, 0.0000140700000000, 0.0000000000000000 ] - [ -0.0000056400000000, 0.0001174600000000, 0.0000000000000000 ] - [ -0.0000291500000000, -0.0001302600000000, 0.0000000000000000 ] - [ 0.0020711100000000, -0.0000010900000000, 0.0000019300000000 ] - [ -0.0007336200000000, -0.0000369300000000, -0.0001154400000000 ] - [ -0.0001137500000000, 0.0003953700000000, 0.0000554500000000 ] - [ -0.0000492300000000, -0.0003569200000000, 0.0000596900000000 ] - [ -0.0020912800000000, 0.0026068200000000, 0.0000000000000000 ] - [ -0.0020812300000000, -0.0019135800000000, 0.0000000000000000 ] - [ 0.0018295000000000, 0.0003409100000000, 0.0000000000000000 ] - [ -0.0005276100000000, -0.0002308000000000, 0.0000000000000000 ] - [ -0.0006672400000000, 0.0003328400000000, 0.0007292500000000 ] - [ -0.0006678100000000, -0.0009895200000000, -0.0010037600000000 ] - [ 0.0004752600000000, -0.0003276600000000, 0.0002731100000000 ] - [ -0.0002378100000000, -0.0000161900000000, 0.0000000100000000 ] - [ -0.0000295300000000, 0.0000667600000000, 0.0000000000000000 ] - [ -0.0000295200000000, -0.0000946400000000, 0.0000000000000000 ] - [ 0.0001102600000000, -0.0000140800000000, 0.0000000000000000 ] - [ -0.0000756100000000, 0.0000254700000000, 0.0000000000000000 ] - [ -0.0006672400000000, 0.0003328400000000, -0.0007292500000000 ] - [ -0.0006678100000000, -0.0009895200000000, 0.0010037600000000 ] - [ 0.0004752600000000, -0.0003276600000000, -0.0002731100000000 ] - [ -0.0002378100000000, -0.0000161900000000, -0.0000000100000000 ] - [ 0.0007763400000000, 0.0000443100000000, -0.0004415000000000 ] - [ -0.0009271600000000, 0.0002937400000000, 0.0005102700000000 ] - [ -0.0000444400000000, 0.0001827600000000, 0.0000005100000000 ] - [ -0.0000122900000000, -0.0000859000000000, 0.0000228700000000 ] - [ 0.0001100600000000, 0.0000433700000000, -0.0000956400000000 ] - [ -0.0001367000000000, 0.0000001700000000, 0.0001608700000000 ] - [ -0.0000058800000000, 0.0000953100000000, -0.0000293000000000 ] - [ -0.0000241900000000, -0.0000515300000000, -0.0000078600000000 ] - [ 0.0001100600000000, 0.0000433700000000, 0.0000956400000000 ] - [ -0.0001367000000000, 0.0000001700000000, -0.0001608700000000 ] - [ -0.0000058800000000, 0.0000953100000000, 0.0000293000000000 ] - [ -0.0000241900000000, -0.0000515300000000, 0.0000078600000000 ] - [ 0.0007763400000000, 0.0000443100000000, 0.0004415000000000 ] - [ -0.0009271600000000, 0.0002937400000000, -0.0005102700000000 ] - [ -0.0000444400000000, 0.0001827600000000, -0.0000005100000000 ] - [ -0.0000122900000000, -0.0000859000000000, -0.0000228700000000 ] - [ -0.0048166400000000, 0.0069475500000000, 0.0000000000000000 ] - [ 0.0028479000000000, 0.0003115300000000, 0.0000000000000000 ] - [ 0.0017155900000000, -0.0004089100000000, 0.0000000000000000 ] - [ 0.0023390700000000, 0.0002644800000000, 0.0000000000000000 ] - [ 0.0016479800000000, -0.0002274900000000, 0.0001862000000000 ] - [ 0.0023710900000000, 0.0000472300000000, -0.0001671300000000 ] - [ 0.0019907200000000, -0.0003660800000000, -0.0001905100000000 ] - [ 0.0022465000000000, 0.0001625500000000, 0.0000206000000000 ] - [ 0.0019891100000000, -0.0000323600000000, 0.0000000000000000 ] - [ 0.0021843400000000, 0.0000168600000000, 0.0000000000000000 ] - [ 0.0020441700000000, -0.0000452900000000, 0.0000000000000000 ] - [ 0.0021209500000000, 0.0000499200000000, 0.0000000000000000 ] - [ 0.0016479800000000, -0.0002274900000000, -0.0001862000000000 ] - [ 0.0023710900000000, 0.0000472300000000, 0.0001671300000000 ] - [ 0.0019907200000000, -0.0003660800000000, 0.0001905100000000 ] - [ 0.0022465000000000, 0.0001625500000000, -0.0000206000000000 ] - [ -0.0005705400000000, 0.0016850800000000, 0.0000000000000000 ] - [ -0.0036539300000000, -0.0024552200000000, 0.0000000000000000 ] - [ -0.0012184600000000, 0.0025460100000000, 0.0000000000000000 ] - [ -0.0006821200000000, 0.0014320300000000, 0.0000000000000000 ] - [ -0.0007979000000000, 0.0017151600000000, -0.0000536600000000 ] - [ -0.0015858200000000, 0.0020488400000000, 0.0001569500000000 ] - [ -0.0011269000000000, 0.0020304900000000, -0.0001630900000000 ] - [ -0.0009364100000000, 0.0016141800000000, 0.0001599000000000 ] - [ -0.0009638900000000, 0.0017885700000000, 0.0000000000000000 ] - [ -0.0011341700000000, 0.0018381200000000, 0.0000000000000000 ] - [ -0.0010763300000000, 0.0018637900000000, 0.0000000000000000 ] - [ -0.0010099600000000, 0.0017502000000000, 0.0000000000000000 ] - [ -0.0007979000000000, 0.0017151600000000, 0.0000536600000000 ] - [ -0.0015858200000000, 0.0020488400000000, -0.0001569500000000 ] - [ -0.0011269000000000, 0.0020304900000000, 0.0001630900000000 ] - [ -0.0009364100000000, 0.0016141800000000, -0.0001599000000000 ] - [ -0.0012777500000000, 0.0003220900000000, -0.0000700800000000 ] - [ 0.0003848300000000, -0.0000564300000000, 0.0000096300000000 ] - [ 0.0001621600000000, -0.0003966500000000, -0.0001070500000000 ] - [ 0.0000443600000000, 0.0004961400000000, 0.0001190300000000 ] - [ -0.0000941000000000, 0.0000099000000000, -0.0000433200000000 ] - [ 0.0001574400000000, -0.0000474600000000, 0.0000314700000000 ] - [ 0.0000612300000000, -0.0000882400000000, -0.0000589600000000 ] - [ -0.0000014000000000, 0.0001110700000000, 0.0000636700000000 ] - [ -0.0000941000000000, 0.0000099000000000, 0.0000433200000000 ] - [ 0.0001574400000000, -0.0000474600000000, -0.0000314700000000 ] - [ 0.0000612300000000, -0.0000882400000000, 0.0000589600000000 ] - [ -0.0000014000000000, 0.0001110700000000, -0.0000636700000000 ] - [ -0.0012777500000000, 0.0003220900000000, 0.0000700800000000 ] - [ 0.0003848300000000, -0.0000564300000000, -0.0000096300000000 ] - [ 0.0001621600000000, -0.0003966500000000, 0.0001070500000000 ] - [ 0.0000443600000000, 0.0004961400000000, -0.0001190300000000 ] - [ -0.0012185400000000, -0.0000275200000000, -0.0003884000000000 ] - [ 0.0005166600000000, -0.0000041900000000, 0.0001054800000000 ] - [ -0.0000258800000000, -0.0004378400000000, 0.0003218100000000 ] - [ 0.0001174900000000, 0.0001969400000000, -0.0000324100000000 ] - [ -0.0001675100000000, -0.0000341700000000, -0.0001175700000000 ] - [ 0.0001428600000000, -0.0000144000000000, 0.0000883900000000 ] - [ -0.0000479900000000, -0.0000951500000000, 0.0000320000000000 ] - [ 0.0000189900000000, 0.0000318200000000, -0.0000235300000000 ] - [ -0.0001675100000000, -0.0000341700000000, 0.0001175700000000 ] - [ 0.0001428600000000, -0.0000144000000000, -0.0000883900000000 ] - [ -0.0000479900000000, -0.0000951500000000, -0.0000320000000000 ] - [ 0.0000189900000000, 0.0000318200000000, 0.0000235300000000 ] - [ -0.0012185400000000, -0.0000275200000000, 0.0003884000000000 ] - [ 0.0005166600000000, -0.0000041900000000, -0.0001054800000000 ] - [ -0.0000258800000000, -0.0004378400000000, -0.0003218100000000 ] - [ 0.0001174900000000, 0.0001969400000000, 0.0000324100000000 ] - [ -0.0159674600000000, -0.0042650900000000, 0.0000000000000000 ] - [ -0.0003255500000000, -0.0018125400000000, 0.0000000000000000 ] - [ -0.0010157700000000, -0.0019259400000000, 0.0000000000000000 ] - [ -0.0010770400000000, -0.0014883800000000, 0.0000000000000000 ] - [ -0.0011264000000000, -0.0017100300000000, -0.0003448200000000 ] - [ -0.0006214400000000, -0.0018901600000000, 0.0003543900000000 ] - [ -0.0010610200000000, -0.0018461700000000, 0.0000329200000000 ] - [ -0.0010558200000000, -0.0017266100000000, 0.0000066800000000 ] - [ -0.0010825900000000, -0.0018136000000000, 0.0000000000000000 ] - [ -0.0009927600000000, -0.0018096400000000, 0.0000000000000000 ] - [ -0.0010457400000000, -0.0018304600000000, 0.0000000000000000 ] - [ -0.0010417600000000, -0.0017714900000000, 0.0000000000000000 ] - [ -0.0011264000000000, -0.0017100300000000, 0.0003448200000000 ] - [ -0.0006214400000000, -0.0018901600000000, -0.0003543900000000 ] - [ -0.0010610200000000, -0.0018461700000000, -0.0000329200000000 ] - [ -0.0010558200000000, -0.0017266100000000, -0.0000066800000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0011430000000000, -0.0000652800000000, -0.0006015800000000 ] - [ 0.0006280400000000, -0.0009572200000000, -0.0006015800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002718800000000 ] - [ 0.0005149600000000, 0.0010225100000000, -0.0006015800000000 ] - [ -0.0001860200000000, -0.0000893600000000, 0.0005546200000000 ] - [ 0.0001703900000000, -0.0001164200000000, 0.0005546200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002751000000000 ] - [ 0.0000156200000000, 0.0002057700000000, 0.0005546200000000 ] - [ 0.0001854700000000, 0.0000886300000000, 0.0005545500000000 ] - [ -0.0001694900000000, 0.0001163000000000, 0.0005545500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002753700000000 ] - [ -0.0000159800000000, -0.0002049300000000, 0.0005545500000000 ] - [ 0.0011408200000000, 0.0000677300000000, -0.0005969300000000 ] - [ -0.0006290700000000, 0.0009541200000000, -0.0005969300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002718000000000 ] - [ -0.0005117600000000, -0.0010218500000000, -0.0005969300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0138294900000000 ] - [ 0.0000006400000000, -0.0000003200000000, -0.0004256400000000 ] - [ -0.0000000400000000, 0.0000007100000000, -0.0004256400000000 ] - [ -0.0000006000000000, -0.0000003900000000, -0.0004256400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031854400000000 ] - [ 0.0001149100000000, -0.0000025300000000, 0.0000398100000000 ] - [ -0.0000552700000000, 0.0001007800000000, 0.0000398100000000 ] - [ -0.0000596400000000, -0.0000982600000000, 0.0000398100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006267600000000 ] - [ -0.0000000100000000, -0.0000000200000000, 0.0003469800000000 ] - [ 0.0000000200000000, 0.0000000000000000, 0.0003469800000000 ] - [ -0.0000000100000000, 0.0000000200000000, 0.0003469800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031542800000000 ] - [ -0.0001148300000000, 0.0000023700000000, 0.0000402100000000 ] - [ 0.0000553700000000, -0.0001006300000000, 0.0000402100000000 ] - [ 0.0000594700000000, 0.0000982600000000, 0.0000402100000000 ] - [ -0.0000005500000000, -0.0000030200000000, -0.0018871200000000 ] - [ -0.0000023400000000, 0.0000019900000000, -0.0018871200000000 ] - [ 0.0000028900000000, 0.0000010300000000, -0.0018871200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002807200000000 ] - [ -0.0010037500000000, 0.0002636000000000, 0.0007696400000000 ] - [ 0.0007301600000000, 0.0007374700000000, 0.0007696400000000 ] - [ 0.0002735900000000, -0.0010010700000000, 0.0007696400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000107100000000 ] - [ -0.0000002800000000, 0.0000001100000000, 0.0004558900000000 ] - [ 0.0000002400000000, 0.0000001900000000, 0.0004558900000000 ] - [ 0.0000000400000000, -0.0000003000000000, 0.0004558900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003083500000000 ] - [ 0.0010041000000000, -0.0002624700000000, 0.0007695700000000 ] - [ -0.0007293600000000, -0.0007383400000000, 0.0007695700000000 ] - [ -0.0002747400000000, 0.0010008100000000, 0.0007695700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000103300000000 ] - [ 0.0001321700000000, 0.0001085900000000, 0.0002796000000000 ] - [ -0.0002784700000000, -0.0002644900000000, 0.0016231500000000 ] - [ 0.0000911900000000, 0.0002268800000000, 0.0002060100000000 ] - [ -0.0000137700000000, -0.0000131400000000, 0.0001618900000000 ] - [ 0.0000998500000000, 0.0000474500000000, -0.0002249900000000 ] - [ -0.0001268900000000, -0.0000059000000000, -0.0004091000000000 ] - [ 0.0000178900000000, 0.0000850900000000, -0.0002002300000000 ] - [ -0.0000346100000000, -0.0000346600000000, -0.0001703000000000 ] - [ -0.0001287900000000, 0.0000031800000000, -0.0002250200000000 ] - [ 0.0000967100000000, 0.0000563000000000, -0.0004085000000000 ] - [ -0.0000471400000000, -0.0000343000000000, -0.0002003700000000 ] - [ 0.0000053800000000, 0.0000853600000000, -0.0001704900000000 ] - [ -0.0001612800000000, -0.0000573500000000, 0.0002783200000000 ] - [ 0.0003188500000000, 0.0003333700000000, 0.0015489600000000 ] - [ -0.0001202000000000, -0.0001753800000000, 0.0002059500000000 ] - [ -0.0000157300000000, 0.0000635300000000, 0.0001615400000000 ] - [ 0.0020733700000000, 0.0000148600000000, 0.0007069100000000 ] - [ 0.0020856900000000, -0.0000005700000000, 0.0002609300000000 ] - [ 0.0020864500000000, -0.0000013300000000, 0.0005532800000000 ] - [ 0.0020866400000000, -0.0000000100000000, 0.0001874300000000 ] - [ 0.0017474000000000, 0.0002722600000000, -0.0002973000000000 ] - [ 0.0021897400000000, 0.0000432800000000, -0.0000372200000000 ] - [ 0.0021303900000000, -0.0003473200000000, -0.0002127700000000 ] - [ 0.0019965400000000, -0.0000784300000000, -0.0000159000000000 ] - [ 0.0020865400000000, 0.0000000700000000, -0.0002350700000000 ] - [ 0.0020866900000000, 0.0000000200000000, -0.0001832600000000 ] - [ 0.0020866800000000, -0.0000001100000000, -0.0002041800000000 ] - [ 0.0020865500000000, -0.0000000200000000, -0.0001520700000000 ] - [ 0.0024246200000000, -0.0002709000000000, -0.0002969400000000 ] - [ 0.0019836600000000, -0.0000431300000000, -0.0000374400000000 ] - [ 0.0020428800000000, 0.0003478900000000, -0.0002135800000000 ] - [ 0.0021768900000000, 0.0000785100000000, -0.0000160200000000 ] - [ -0.0010433200000000, 0.0018070900000000, 0.0001874300000000 ] - [ -0.0010495600000000, 0.0017881600000000, 0.0007069100000000 ] - [ -0.0010420700000000, 0.0018075900000000, 0.0005532800000000 ] - [ -0.0010423500000000, 0.0018065500000000, 0.0002609300000000 ] - [ -0.0009303500000000, 0.0017682700000000, -0.0000159000000000 ] - [ -0.0011094900000000, 0.0013771600000000, -0.0002973000000000 ] - [ -0.0007644100000000, 0.0020186300000000, -0.0002127700000000 ] - [ -0.0011323500000000, 0.0018747300000000, -0.0000372200000000 ] - [ -0.0010432600000000, 0.0018070100000000, -0.0001520700000000 ] - [ -0.0010433300000000, 0.0018069600000000, -0.0002350700000000 ] - [ -0.0010432400000000, 0.0018071800000000, -0.0002041800000000 ] - [ -0.0010433600000000, 0.0018071200000000, -0.0001832600000000 ] - [ -0.0011564400000000, 0.0018459900000000, -0.0000160200000000 ] - [ -0.0009777000000000, 0.0022352300000000, -0.0002969400000000 ] - [ -0.0013227200000000, 0.0015952400000000, -0.0002135800000000 ] - [ -0.0009544700000000, 0.0017394700000000, -0.0000374400000000 ] - [ -0.0000898200000000, 0.0003734100000000, 0.0016231500000000 ] - [ -0.0000044900000000, 0.0000185000000000, 0.0001618900000000 ] - [ 0.0001508900000000, -0.0001924100000000, 0.0002060100000000 ] - [ 0.0000279600000000, -0.0001687600000000, 0.0002796000000000 ] - [ 0.0000583300000000, 0.0001128400000000, -0.0004091000000000 ] - [ -0.0000127200000000, 0.0000473000000000, -0.0001703000000000 ] - [ 0.0000647400000000, -0.0000580400000000, -0.0002002300000000 ] - [ -0.0000088300000000, -0.0001102000000000, -0.0002249900000000 ] - [ 0.0000004100000000, -0.0001119000000000, -0.0004085000000000 ] - [ 0.0000712300000000, -0.0000473400000000, -0.0001704900000000 ] - [ -0.0000061300000000, 0.0000579800000000, -0.0002003700000000 ] - [ 0.0000671400000000, 0.0001099500000000, -0.0002250200000000 ] - [ 0.0001292800000000, -0.0004428200000000, 0.0015489600000000 ] - [ 0.0000628900000000, -0.0000181400000000, 0.0001615400000000 ] - [ -0.0000917800000000, 0.0001917900000000, 0.0002059500000000 ] - [ 0.0000309800000000, 0.0001683500000000, 0.0002783200000000 ] - [ 0.0003682900000000, -0.0001089200000000, 0.0016231500000000 ] - [ -0.0002420800000000, -0.0000344700000000, 0.0002060100000000 ] - [ -0.0001601300000000, 0.0000601700000000, 0.0002796000000000 ] - [ 0.0000182600000000, -0.0000053600000000, 0.0001618900000000 ] - [ 0.0000685600000000, -0.0001069400000000, -0.0004091000000000 ] - [ -0.0000826400000000, -0.0000270500000000, -0.0002002300000000 ] - [ -0.0000910200000000, 0.0000627400000000, -0.0002249900000000 ] - [ 0.0000473200000000, -0.0000126400000000, -0.0001703000000000 ] - [ -0.0000971100000000, 0.0000556000000000, -0.0004085000000000 ] - [ 0.0000532700000000, -0.0000236800000000, -0.0002003700000000 ] - [ 0.0000616400000000, -0.0001131200000000, -0.0002250200000000 ] - [ -0.0000766100000000, -0.0000380200000000, -0.0001704900000000 ] - [ -0.0004481300000000, 0.0001094500000000, 0.0015489600000000 ] - [ 0.0002119800000000, -0.0000164100000000, 0.0002059500000000 ] - [ 0.0001303100000000, -0.0001110000000000, 0.0002783200000000 ] - [ -0.0000471600000000, -0.0000453900000000, 0.0001615400000000 ] - [ -0.0010238200000000, -0.0018030200000000, 0.0007069100000000 ] - [ -0.0010443800000000, -0.0018062600000000, 0.0005532800000000 ] - [ -0.0010433300000000, -0.0018070800000000, 0.0001874300000000 ] - [ -0.0010433400000000, -0.0018059800000000, 0.0002609300000000 ] - [ -0.0006379100000000, -0.0016494200000000, -0.0002973000000000 ] - [ -0.0013659800000000, -0.0016713100000000, -0.0002127700000000 ] - [ -0.0010661900000000, -0.0016898400000000, -0.0000159000000000 ] - [ -0.0010573900000000, -0.0019180000000000, -0.0000372200000000 ] - [ -0.0010432100000000, -0.0018070300000000, -0.0002350700000000 ] - [ -0.0010434400000000, -0.0018070600000000, -0.0002041800000000 ] - [ -0.0010432900000000, -0.0018069900000000, -0.0001520700000000 ] - [ -0.0010433300000000, -0.0018071400000000, -0.0001832600000000 ] - [ -0.0014469200000000, -0.0019643300000000, -0.0002969400000000 ] - [ -0.0007201600000000, -0.0019431300000000, -0.0002135800000000 ] - [ -0.0010204600000000, -0.0019245000000000, -0.0000160200000000 ] - [ -0.0010291800000000, -0.0016963300000000, -0.0000374400000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0023816700000000, -0.0009338400000000, 0.0000000000000000 ] - [ -0.0005026800000000, -0.0001328300000000, 0.0000000000000000 ] - [ 0.0002423100000000, 0.0005037100000000, 0.0000000000000000 ] - [ -0.0003172100000000, -0.0003850200000000, 0.0000000000000000 ] - [ 0.0005251500000000, 0.0003059100000000, -0.0002514000000000 ] - [ -0.0002128200000000, -0.0000808500000000, 0.0001383400000000 ] - [ 0.0000333800000000, 0.0002134100000000, 0.0002192700000000 ] - [ -0.0001452700000000, -0.0001422200000000, -0.0001284200000000 ] - [ 0.0000643700000000, 0.0000229700000000, 0.0000000000000000 ] - [ -0.0000668600000000, -0.0000152900000000, 0.0000000000000000 ] - [ 0.0000366300000000, 0.0000350000000000, 0.0000000000000000 ] - [ -0.0000369400000000, -0.0000442300000000, 0.0000000000000000 ] - [ 0.0005251500000000, 0.0003059100000000, 0.0002514000000000 ] - [ -0.0002128200000000, -0.0000808500000000, -0.0001383400000000 ] - [ 0.0000333800000000, 0.0002134100000000, -0.0002192700000000 ] - [ -0.0001452700000000, -0.0001422200000000, 0.0001284200000000 ] - [ -0.0007888400000000, 0.0000492500000000, 0.0001473700000000 ] - [ 0.0009138900000000, 0.0001120800000000, -0.0003338500000000 ] - [ 0.0000292800000000, -0.0003018200000000, 0.0001050300000000 ] - [ -0.0000031900000000, 0.0001465700000000, 0.0000008800000000 ] - [ -0.0007888400000000, 0.0000492500000000, -0.0001473700000000 ] - [ 0.0009138900000000, 0.0001120800000000, 0.0003338500000000 ] - [ 0.0000292800000000, -0.0003018200000000, -0.0001050300000000 ] - [ -0.0000031900000000, 0.0001465700000000, -0.0000008800000000 ] - [ -0.0001248900000000, 0.0000208100000000, -0.0001144000000000 ] - [ 0.0001212100000000, 0.0000086300000000, 0.0001119100000000 ] - [ -0.0000092700000000, -0.0000750900000000, -0.0000325600000000 ] - [ 0.0000092400000000, 0.0000316500000000, 0.0000199200000000 ] - [ -0.0001248900000000, 0.0000208100000000, 0.0001144000000000 ] - [ 0.0001212100000000, 0.0000086300000000, -0.0001119100000000 ] - [ -0.0000092700000000, -0.0000750900000000, 0.0000325600000000 ] - [ 0.0000092400000000, 0.0000316500000000, -0.0000199200000000 ] - [ 0.0012037400000000, -0.0003782800000000, 0.0003871800000000 ] - [ -0.0005302600000000, 0.0001661500000000, -0.0002259200000000 ] - [ -0.0001309300000000, 0.0001870100000000, 0.0000323800000000 ] - [ 0.0000107700000000, -0.0004800800000000, -0.0001447800000000 ] - [ 0.0012037400000000, -0.0003782800000000, -0.0003871800000000 ] - [ -0.0005302600000000, 0.0001661500000000, 0.0002259200000000 ] - [ -0.0001309300000000, 0.0001870100000000, -0.0000323800000000 ] - [ 0.0000107700000000, -0.0004800800000000, 0.0001447800000000 ] - [ 0.0001539600000000, 0.0000083000000000, -0.0000825700000000 ] - [ -0.0001567200000000, 0.0000162100000000, 0.0000678200000000 ] - [ -0.0000330700000000, 0.0001028700000000, -0.0000619000000000 ] - [ 0.0000336300000000, -0.0001085500000000, 0.0000763900000000 ] - [ 0.0001539600000000, 0.0000083000000000, 0.0000825700000000 ] - [ -0.0001567200000000, 0.0000162100000000, -0.0000678200000000 ] - [ -0.0000330700000000, 0.0001028700000000, 0.0000619000000000 ] - [ 0.0000336300000000, -0.0001085500000000, -0.0000763900000000 ] - [ -0.0130408100000000, 0.0040083700000000, 0.0000000000000000 ] - [ 0.0003536000000000, 0.0000733000000000, 0.0000000000000000 ] - [ -0.0000221800000000, -0.0000742200000000, 0.0000000000000000 ] - [ 0.0000682900000000, 0.0002382700000000, 0.0000000000000000 ] - [ -0.0004467600000000, -0.0001344400000000, -0.0000179800000000 ] - [ 0.0001567400000000, 0.0000497400000000, -0.0000024000000000 ] - [ -0.0000202200000000, -0.0000682700000000, 0.0000179200000000 ] - [ 0.0000287400000000, 0.0001237000000000, 0.0000083800000000 ] - [ -0.0000730000000000, 0.0000200000000000, 0.0000000000000000 ] - [ 0.0000448000000000, 0.0000358900000000, 0.0000000000000000 ] - [ -0.0000316000000000, -0.0000085300000000, 0.0000000000000000 ] - [ 0.0000005500000000, 0.0000614600000000, 0.0000000000000000 ] - [ -0.0004467600000000, -0.0001344400000000, 0.0000179800000000 ] - [ 0.0001567400000000, 0.0000497400000000, 0.0000024000000000 ] - [ -0.0000202200000000, -0.0000682700000000, -0.0000179200000000 ] - [ 0.0000287400000000, 0.0001237000000000, -0.0000083800000000 ] - [ 0.0022914500000000, -0.0000244600000000, 0.0000038200000000 ] - [ 0.0015915900000000, 0.0009045200000000, 0.0005978000000000 ] - [ 0.0022827700000000, 0.0003301100000000, -0.0000098800000000 ] - [ 0.0021237900000000, -0.0001135000000000, 0.0000412100000000 ] - [ 0.0022914500000000, -0.0000244600000000, -0.0000038200000000 ] - [ 0.0015915900000000, 0.0009045200000000, -0.0005978000000000 ] - [ 0.0022827700000000, 0.0003301100000000, 0.0000098800000000 ] - [ 0.0021237900000000, -0.0001135000000000, -0.0000412100000000 ] - [ 0.0021682200000000, -0.0000054000000000, 0.0000121800000000 ] - [ 0.0020045500000000, -0.0000022900000000, 0.0000064700000000 ] - [ 0.0020746700000000, 0.0000387100000000, 0.0000268800000000 ] - [ 0.0021217600000000, -0.0000402300000000, -0.0000469800000000 ] - [ 0.0021682200000000, -0.0000054000000000, -0.0000121800000000 ] - [ 0.0020045500000000, -0.0000022900000000, -0.0000064700000000 ] - [ 0.0020746700000000, 0.0000387100000000, -0.0000268800000000 ] - [ 0.0021217600000000, -0.0000402300000000, 0.0000469800000000 ] - [ -0.0008064000000000, -0.0000686300000000, 0.0017617800000000 ] - [ -0.0008344500000000, 0.0018665300000000, -0.0000765700000000 ] - [ -0.0010608400000000, 0.0016323600000000, -0.0001941700000000 ] - [ -0.0009419000000000, 0.0019332900000000, 0.0000719700000000 ] - [ -0.0008064000000000, -0.0000686300000000, -0.0017617800000000 ] - [ -0.0008344500000000, 0.0018665300000000, 0.0000765700000000 ] - [ -0.0010608400000000, 0.0016323600000000, 0.0001941700000000 ] - [ -0.0009419000000000, 0.0019332900000000, -0.0000719700000000 ] - [ -0.0011075100000000, 0.0018061000000000, -0.0000271300000000 ] - [ -0.0009731400000000, 0.0018162100000000, 0.0000304000000000 ] - [ -0.0010581400000000, 0.0017691700000000, 0.0000199100000000 ] - [ -0.0010162700000000, 0.0018528700000000, -0.0000293700000000 ] - [ -0.0011075100000000, 0.0018061000000000, 0.0000271300000000 ] - [ -0.0009731400000000, 0.0018162100000000, -0.0000304000000000 ] - [ -0.0010581400000000, 0.0017691700000000, -0.0000199100000000 ] - [ -0.0010162700000000, 0.0018528700000000, 0.0000293700000000 ] - [ 0.0002113900000000, -0.0002074500000000, 0.0000000000000000 ] - [ 0.0004852800000000, 0.0009724900000000, 0.0000000000000000 ] - [ -0.0001422100000000, 0.0006107400000000, 0.0000000000000000 ] - [ 0.0001538600000000, -0.0000820400000000, 0.0000000000000000 ] - [ 0.0001683500000000, -0.0002164700000000, 0.0002007400000000 ] - [ 0.0000454800000000, 0.0002720100000000, -0.0002457500000000 ] - [ -0.0001229600000000, 0.0001764800000000, 0.0001556900000000 ] - [ 0.0000929900000000, -0.0000200200000000, -0.0000082500000000 ] - [ 0.0000368000000000, -0.0000191700000000, 0.0000000000000000 ] - [ 0.0000205200000000, 0.0000128300000000, 0.0000000000000000 ] - [ 0.0000032200000000, 0.0000028500000000, 0.0000000000000000 ] - [ 0.0000631600000000, 0.0000025000000000, 0.0000000000000000 ] - [ 0.0001683500000000, -0.0002164700000000, -0.0002007400000000 ] - [ 0.0000454800000000, 0.0002720100000000, 0.0002457500000000 ] - [ -0.0001229600000000, 0.0001764800000000, -0.0001556900000000 ] - [ 0.0000929900000000, -0.0000200200000000, 0.0000082500000000 ] - [ 0.0010540100000000, 0.0000769300000000, 0.0000000000000000 ] - [ 0.0010409300000000, -0.0006488400000000, 0.0000000000000000 ] - [ 0.0000243800000000, 0.0000091000000000, 0.0000000000000000 ] - [ -0.0002196500000000, -0.0000399500000000, 0.0000000000000000 ] - [ 0.0001494400000000, -0.0000171800000000, 0.0002480700000000 ] - [ 0.0001499700000000, -0.0002102400000000, -0.0002350800000000 ] - [ 0.0000246000000000, -0.0000176900000000, -0.0000047900000000 ] - [ -0.0001168500000000, 0.0000532700000000, -0.0000662500000000 ] - [ -0.0000155600000000, -0.0000120700000000, 0.0000000000000000 ] - [ -0.0000153700000000, -0.0000319500000000, 0.0000000000000000 ] - [ 0.0000089400000000, -0.0000322100000000, 0.0000000000000000 ] - [ -0.0000353300000000, -0.0000208800000000, 0.0000000000000000 ] - [ 0.0001494400000000, -0.0000171800000000, -0.0002480700000000 ] - [ 0.0001499700000000, -0.0002102400000000, 0.0002350800000000 ] - [ 0.0000246000000000, -0.0000176900000000, 0.0000047900000000 ] - [ -0.0001168500000000, 0.0000532700000000, 0.0000662500000000 ] - [ 0.0011182600000000, -0.0029311400000000, -0.0021697100000000 ] - [ -0.0005706400000000, -0.0017184000000000, 0.0000152600000000 ] - [ -0.0011124300000000, -0.0019083900000000, -0.0000210400000000 ] - [ -0.0009940900000000, -0.0017018600000000, -0.0000230400000000 ] - [ 0.0011182600000000, -0.0029311400000000, 0.0021697100000000 ] - [ -0.0005706400000000, -0.0017184000000000, -0.0000152600000000 ] - [ -0.0011124300000000, -0.0019083900000000, 0.0000210400000000 ] - [ -0.0009940900000000, -0.0017018600000000, 0.0000230400000000 ] - [ -0.0010899500000000, -0.0018228200000000, 0.0000328700000000 ] - [ -0.0010044000000000, -0.0017989300000000, -0.0000366500000000 ] - [ -0.0010813100000000, -0.0018353800000000, -0.0000117000000000 ] - [ -0.0010217500000000, -0.0017702600000000, 0.0000051500000000 ] - [ -0.0010899500000000, -0.0018228200000000, -0.0000328700000000 ] - [ -0.0010044000000000, -0.0017989300000000, 0.0000366500000000 ] - [ -0.0010813100000000, -0.0018353800000000, 0.0000117000000000 ] - [ -0.0010217500000000, -0.0017702600000000, -0.0000051500000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0023518200000000, 0.0008595500000000, 0.0000000000000000 ] - [ 0.0005022500000000, 0.0001298800000000, 0.0000000000000000 ] - [ -0.0002483100000000, -0.0005076800000000, 0.0000000000000000 ] - [ 0.0003152600000000, 0.0003797300000000, 0.0000000000000000 ] - [ -0.0005258400000000, -0.0003104300000000, 0.0002529100000000 ] - [ 0.0002107800000000, 0.0000771500000000, -0.0001391400000000 ] - [ -0.0000364600000000, -0.0002170000000000, -0.0002176200000000 ] - [ 0.0001429500000000, 0.0001379700000000, 0.0001284700000000 ] - [ -0.0000671200000000, -0.0000274500000000, 0.0000000000000000 ] - [ 0.0000636000000000, 0.0000108800000000, 0.0000000000000000 ] - [ -0.0000394500000000, -0.0000394500000000, 0.0000000000000000 ] - [ 0.0000349600000000, 0.0000402100000000, 0.0000000000000000 ] - [ -0.0005258400000000, -0.0003104300000000, -0.0002529100000000 ] - [ 0.0002107800000000, 0.0000771500000000, 0.0001391400000000 ] - [ -0.0000364600000000, -0.0002170000000000, 0.0002176200000000 ] - [ 0.0001429500000000, 0.0001379700000000, -0.0001284700000000 ] - [ 0.0007891000000000, -0.0000478000000000, -0.0001467500000000 ] - [ -0.0009878000000000, -0.0001294400000000, 0.0002644000000000 ] - [ -0.0000289700000000, 0.0003043100000000, -0.0001063800000000 ] - [ 0.0000025700000000, -0.0001464000000000, -0.0000007500000000 ] - [ 0.0007891000000000, -0.0000478000000000, 0.0001467500000000 ] - [ -0.0009878000000000, -0.0001294400000000, -0.0002644000000000 ] - [ -0.0000289700000000, 0.0003043100000000, 0.0001063800000000 ] - [ 0.0000025700000000, -0.0001464000000000, 0.0000007500000000 ] - [ 0.0001251000000000, -0.0000202400000000, 0.0001143400000000 ] - [ -0.0001228400000000, -0.0000079700000000, -0.0001120400000000 ] - [ 0.0000088000000000, 0.0000763800000000, 0.0000326500000000 ] - [ -0.0000097500000000, -0.0000309600000000, -0.0000197400000000 ] - [ 0.0001251000000000, -0.0000202400000000, -0.0001143400000000 ] - [ -0.0001228400000000, -0.0000079700000000, 0.0001120400000000 ] - [ 0.0000088000000000, 0.0000763800000000, -0.0000326500000000 ] - [ -0.0000097500000000, -0.0000309600000000, 0.0000197400000000 ] - [ -0.0011698600000000, 0.0004106000000000, -0.0004301900000000 ] - [ 0.0005328600000000, -0.0001673500000000, 0.0002278000000000 ] - [ 0.0001323400000000, -0.0001862600000000, -0.0000328100000000 ] - [ -0.0000123200000000, 0.0004808000000000, 0.0001463100000000 ] - [ -0.0011698600000000, 0.0004106000000000, 0.0004301900000000 ] - [ 0.0005328600000000, -0.0001673500000000, -0.0002278000000000 ] - [ 0.0001323400000000, -0.0001862600000000, 0.0000328100000000 ] - [ -0.0000123200000000, 0.0004808000000000, -0.0001463100000000 ] - [ -0.0001527600000000, -0.0000075800000000, 0.0000831400000000 ] - [ 0.0001578700000000, -0.0000163800000000, -0.0000681000000000 ] - [ 0.0000343200000000, -0.0001025300000000, 0.0000620000000000 ] - [ -0.0000331000000000, 0.0001093000000000, -0.0000764800000000 ] - [ -0.0001527600000000, -0.0000075800000000, -0.0000831400000000 ] - [ 0.0001578700000000, -0.0000163800000000, 0.0000681000000000 ] - [ 0.0000343200000000, -0.0001025300000000, -0.0000620000000000 ] - [ -0.0000331000000000, 0.0001093000000000, 0.0000764800000000 ] - [ 0.0130013000000000, -0.0039088600000000, 0.0000000000000000 ] - [ -0.0003833300000000, -0.0000210700000000, 0.0000000000000000 ] - [ -0.0000066900000000, 0.0001269300000000, 0.0000000000000000 ] - [ -0.0000976900000000, -0.0001864900000000, 0.0000000000000000 ] - [ 0.0004192400000000, 0.0001875500000000, 0.0000167300000000 ] - [ -0.0001862000000000, 0.0000027700000000, 0.0000027200000000 ] - [ -0.0000088100000000, 0.0001210100000000, -0.0000182100000000 ] - [ -0.0000577800000000, -0.0000713400000000, -0.0000084600000000 ] - [ 0.0000440500000000, 0.0000326500000000, 0.0000000000000000 ] - [ -0.0000739200000000, 0.0000167200000000, 0.0000000000000000 ] - [ 0.0000025300000000, 0.0000611700000000, 0.0000000000000000 ] - [ -0.0000295600000000, -0.0000089600000000, 0.0000000000000000 ] - [ 0.0004192400000000, 0.0001875500000000, -0.0000167300000000 ] - [ -0.0001862000000000, 0.0000027700000000, -0.0000027200000000 ] - [ -0.0000088100000000, 0.0001210100000000, 0.0000182100000000 ] - [ -0.0000577800000000, -0.0000713400000000, 0.0000084600000000 ] - [ 0.0018811700000000, 0.0000233800000000, -0.0000039000000000 ] - [ 0.0025882700000000, -0.0008981400000000, -0.0005924900000000 ] - [ 0.0018893300000000, -0.0003315900000000, 0.0000100200000000 ] - [ 0.0020506000000000, 0.0001129500000000, -0.0000413500000000 ] - [ 0.0018811700000000, 0.0000233800000000, 0.0000039000000000 ] - [ 0.0025882700000000, -0.0008981400000000, 0.0005924900000000 ] - [ 0.0018893300000000, -0.0003315900000000, -0.0000100200000000 ] - [ 0.0020506000000000, 0.0001129500000000, 0.0000413500000000 ] - [ 0.0020049100000000, 0.0000045700000000, -0.0000120900000000 ] - [ 0.0021690100000000, 0.0000016600000000, -0.0000065800000000 ] - [ 0.0020984700000000, -0.0000395800000000, -0.0000268500000000 ] - [ 0.0020517500000000, 0.0000397300000000, 0.0000470800000000 ] - [ 0.0020049100000000, 0.0000045700000000, 0.0000120900000000 ] - [ 0.0021690100000000, 0.0000016600000000, 0.0000065800000000 ] - [ 0.0020984700000000, -0.0000395800000000, 0.0000268500000000 ] - [ 0.0020517500000000, 0.0000397300000000, -0.0000470800000000 ] - [ -0.0012741100000000, 0.0036867000000000, -0.0017681000000000 ] - [ -0.0012533900000000, 0.0017476400000000, 0.0000761000000000 ] - [ -0.0010269100000000, 0.0019830300000000, 0.0001953900000000 ] - [ -0.0011457100000000, 0.0016797200000000, -0.0000724400000000 ] - [ -0.0012741100000000, 0.0036867000000000, 0.0017681000000000 ] - [ -0.0012533900000000, 0.0017476400000000, -0.0000761000000000 ] - [ -0.0010269100000000, 0.0019830300000000, -0.0001953900000000 ] - [ -0.0011457100000000, 0.0016797200000000, 0.0000724400000000 ] - [ -0.0009796500000000, 0.0018077100000000, 0.0000270500000000 ] - [ -0.0011145900000000, 0.0017977700000000, -0.0000303900000000 ] - [ -0.0010294500000000, 0.0018447700000000, -0.0000200500000000 ] - [ -0.0010712100000000, 0.0017607500000000, 0.0000295500000000 ] - [ -0.0009796500000000, 0.0018077100000000, -0.0000270500000000 ] - [ -0.0011145900000000, 0.0017977700000000, 0.0000303900000000 ] - [ -0.0010294500000000, 0.0018447700000000, 0.0000200500000000 ] - [ -0.0010712100000000, 0.0017607500000000, -0.0000295500000000 ] - [ -0.0001527700000000, 0.0002083700000000, 0.0000000000000000 ] - [ -0.0004310000000000, -0.0009804600000000, 0.0000000000000000 ] - [ 0.0002013200000000, -0.0006147400000000, 0.0000000000000000 ] - [ -0.0000942300000000, 0.0000843900000000, 0.0000000000000000 ] - [ -0.0001082300000000, 0.0002168700000000, -0.0002002700000000 ] - [ 0.0000149800000000, -0.0002732400000000, 0.0002470600000000 ] - [ 0.0001826300000000, -0.0001746700000000, -0.0001555200000000 ] - [ -0.0000332000000000, 0.0000217700000000, 0.0000084000000000 ] - [ 0.0000230300000000, 0.0000204300000000, 0.0000000000000000 ] - [ 0.0000395100000000, -0.0000115500000000, 0.0000000000000000 ] - [ 0.0000566900000000, -0.0000016700000000, 0.0000000000000000 ] - [ -0.0000033000000000, -0.0000011200000000, 0.0000000000000000 ] - [ -0.0001082300000000, 0.0002168700000000, 0.0002002700000000 ] - [ 0.0000149800000000, -0.0002732400000000, -0.0002470600000000 ] - [ 0.0001826300000000, -0.0001746700000000, 0.0001555200000000 ] - [ -0.0000332000000000, 0.0000217700000000, -0.0000084000000000 ] - [ -0.0010704400000000, -0.0001223900000000, 0.0000000000000000 ] - [ -0.0010837000000000, 0.0006065200000000, 0.0000000000000000 ] - [ -0.0000529600000000, -0.0000588300000000, 0.0000000000000000 ] - [ 0.0001912100000000, -0.0000083700000000, 0.0000000000000000 ] - [ -0.0001791000000000, -0.0000321200000000, -0.0002492700000000 ] - [ -0.0001785900000000, 0.0001628700000000, 0.0002360800000000 ] - [ -0.0000531900000000, -0.0000316800000000, 0.0000046800000000 ] - [ 0.0000884100000000, -0.0001018800000000, 0.0000657000000000 ] - [ -0.0000130500000000, -0.0000370000000000, 0.0000000000000000 ] - [ -0.0000129600000000, -0.0000171800000000, 0.0000000000000000 ] - [ -0.0000375000000000, -0.0000170400000000, 0.0000000000000000 ] - [ 0.0000069100000000, -0.0000282100000000, 0.0000000000000000 ] - [ -0.0001791000000000, -0.0000321200000000, 0.0002492700000000 ] - [ -0.0001785900000000, 0.0001628700000000, -0.0002360800000000 ] - [ -0.0000531900000000, -0.0000316800000000, -0.0000046800000000 ] - [ 0.0000884100000000, -0.0001018800000000, -0.0000657000000000 ] - [ -0.0031771600000000, -0.0006997300000000, 0.0021345900000000 ] - [ -0.0015178400000000, -0.0018963000000000, -0.0000152400000000 ] - [ -0.0009742500000000, -0.0017065900000000, 0.0000212600000000 ] - [ -0.0010927900000000, -0.0019121800000000, 0.0000230600000000 ] - [ -0.0031771600000000, -0.0006997300000000, -0.0021345900000000 ] - [ -0.0015178400000000, -0.0018963000000000, 0.0000152400000000 ] - [ -0.0009742500000000, -0.0017065900000000, -0.0000212600000000 ] - [ -0.0010927900000000, -0.0019121800000000, -0.0000230600000000 ] - [ -0.0009970400000000, -0.0017914600000000, -0.0000329700000000 ] - [ -0.0010823200000000, -0.0018153000000000, 0.0000368500000000 ] - [ -0.0010055900000000, -0.0017791300000000, 0.0000116500000000 ] - [ -0.0010650700000000, -0.0018439400000000, -0.0000051500000000 ] - [ -0.0009970400000000, -0.0017914600000000, 0.0000329700000000 ] - [ -0.0010823200000000, -0.0018153000000000, -0.0000368500000000 ] - [ -0.0010055900000000, -0.0017791300000000, -0.0000116500000000 ] - [ -0.0010650700000000, -0.0018439400000000, 0.0000051500000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000012400000000, -0.0000021500000000, 0.0017725700000000 ] - [ 0.0000001400000000, -0.0000005600000000, 0.0003702600000000 ] - [ 0.0000004700000000, -0.0000008200000000, 0.0010862300000000 ] - [ 0.0000004200000000, -0.0000004100000000, 0.0003702600000000 ] - [ -0.0002041300000000, 0.0003535700000000, -0.0005336200000000 ] - [ 0.0001042300000000, 0.0000651400000000, -0.0000669000000000 ] - [ 0.0002045000000000, -0.0003542100000000, -0.0004495900000000 ] - [ -0.0001085300000000, -0.0000576900000000, -0.0000669000000000 ] - [ 0.0000005500000000, -0.0000009500000000, -0.0003573400000000 ] - [ 0.0000006500000000, -0.0000010900000000, -0.0002363600000000 ] - [ 0.0000006600000000, -0.0000011400000000, -0.0003396300000000 ] - [ 0.0000006200000000, -0.0000011100000000, -0.0002363600000000 ] - [ 0.0002051800000000, -0.0003553800000000, -0.0005354400000000 ] - [ -0.0001027500000000, -0.0000668100000000, -0.0000668800000000 ] - [ -0.0002032700000000, 0.0003520800000000, -0.0004494300000000 ] - [ 0.0001092300000000, 0.0000555800000000, -0.0000668800000000 ] - [ 0.0004409500000000, 0.0001174200000000, 0.0002777200000000 ] - [ -0.0005111800000000, -0.0001972100000000, 0.0015498800000000 ] - [ -0.0000008900000000, 0.0001227200000000, 0.0002049200000000 ] - [ -0.0000231500000000, -0.0000247100000000, 0.0001609700000000 ] - [ -0.0004399000000000, -0.0001177000000000, 0.0002791300000000 ] - [ 0.0004406600000000, 0.0001845800000000, 0.0016207600000000 ] - [ 0.0000008100000000, -0.0001227300000000, 0.0002056900000000 ] - [ 0.0000226200000000, 0.0000238700000000, 0.0001614400000000 ] - [ -0.0000960900000000, 0.0000183300000000, -0.0002257500000000 ] - [ 0.0001611900000000, 0.0000429100000000, -0.0004091400000000 ] - [ -0.0000299300000000, -0.0000852000000000, -0.0002010800000000 ] - [ -0.0000083100000000, 0.0000317900000000, -0.0001709500000000 ] - [ 0.0000954200000000, -0.0000179400000000, -0.0002258600000000 ] - [ -0.0001612100000000, -0.0000425300000000, -0.0004086700000000 ] - [ 0.0000292000000000, 0.0000852700000000, -0.0002011500000000 ] - [ 0.0000078400000000, -0.0000319000000000, -0.0001712000000000 ] - [ 0.0004263800000000, 0.0003440900000000, 0.0015498800000000 ] - [ -0.0001058400000000, 0.0000621300000000, 0.0002049200000000 ] - [ 0.0000329800000000, 0.0000077000000000, 0.0001609700000000 ] - [ -0.0003221700000000, -0.0003231700000000, 0.0002777200000000 ] - [ -0.0003801800000000, -0.0002893400000000, 0.0016207600000000 ] - [ 0.0001058900000000, -0.0000620700000000, 0.0002056900000000 ] - [ -0.0000319800000000, -0.0000076500000000, 0.0001614400000000 ] - [ 0.0003218900000000, 0.0003221200000000, 0.0002791300000000 ] - [ -0.0001177600000000, -0.0001181400000000, -0.0004091400000000 ] - [ 0.0000887500000000, -0.0000166800000000, -0.0002010800000000 ] - [ -0.0000233800000000, 0.0000230900000000, -0.0001709500000000 ] - [ 0.0000321700000000, 0.0000923800000000, -0.0002257500000000 ] - [ 0.0001174400000000, 0.0001183500000000, -0.0004086700000000 ] - [ -0.0000884400000000, 0.0000173500000000, -0.0002011500000000 ] - [ 0.0000237100000000, -0.0000227400000000, -0.0001712000000000 ] - [ -0.0000321700000000, -0.0000916100000000, -0.0002258600000000 ] - [ 0.0000112500000000, -0.0000194800000000, -0.0161179600000000 ] - [ -0.0000154400000000, 0.0000264500000000, -0.0002410800000000 ] - [ -0.0000153600000000, 0.0000266000000000, -0.0001718400000000 ] - [ -0.0000151900000000, 0.0000266000000000, -0.0002410800000000 ] - [ 0.0000022000000000, -0.0000038100000000, 0.0004361500000000 ] - [ -0.0000127500000000, 0.0000346000000000, 0.0000353000000000 ] - [ -0.0000334000000000, 0.0000578600000000, 0.0000142000000000 ] - [ -0.0000235900000000, 0.0000283400000000, 0.0000353000000000 ] - [ -0.0000152300000000, 0.0000263900000000, 0.0002145400000000 ] - [ -0.0000152500000000, 0.0000263800000000, 0.0001208800000000 ] - [ -0.0000152800000000, 0.0000264700000000, 0.0001315200000000 ] - [ -0.0000152200000000, 0.0000264000000000, 0.0001208800000000 ] - [ -0.0000325500000000, 0.0000563800000000, 0.0004350300000000 ] - [ -0.0000178800000000, 0.0000181700000000, 0.0000353200000000 ] - [ 0.0000027300000000, -0.0000047200000000, 0.0000146800000000 ] - [ -0.0000067900000000, 0.0000245600000000, 0.0000353200000000 ] - [ 0.0020927500000000, 0.0000441500000000, -0.0000709800000000 ] - [ 0.0023628100000000, 0.0023052300000000, 0.0011862100000000 ] - [ 0.0017591900000000, -0.0003748500000000, -0.0001533000000000 ] - [ 0.0022293300000000, -0.0000732100000000, -0.0001163300000000 ] - [ 0.0020797600000000, -0.0000446300000000, -0.0000712000000000 ] - [ 0.0018053600000000, -0.0023311900000000, 0.0011963400000000 ] - [ 0.0024162500000000, 0.0003770900000000, -0.0001543500000000 ] - [ 0.0019433700000000, 0.0000729900000000, -0.0001165700000000 ] - [ 0.0021116200000000, -0.0000061200000000, 0.0000778500000000 ] - [ 0.0020739700000000, -0.0000589100000000, 0.0001588800000000 ] - [ 0.0021300900000000, 0.0000328200000000, 0.0000939000000000 ] - [ 0.0020255200000000, 0.0000226000000000, 0.0001288200000000 ] - [ 0.0020613600000000, 0.0000057600000000, 0.0000779000000000 ] - [ 0.0020992900000000, 0.0000583200000000, 0.0001589500000000 ] - [ 0.0020431000000000, -0.0000331000000000, 0.0000938600000000 ] - [ 0.0021473200000000, -0.0000228600000000, 0.0001286900000000 ] - [ 0.0007390800000000, -0.0012801200000000, 0.0020649600000000 ] - [ -0.0010527200000000, 0.0017732700000000, -0.0000804200000000 ] - [ -0.0010757200000000, 0.0018632000000000, -0.0001458800000000 ] - [ -0.0010093400000000, 0.0017983100000000, -0.0000804200000000 ] - [ -0.0028444200000000, 0.0049266700000000, 0.0020819800000000 ] - [ -0.0010340900000000, 0.0018405300000000, -0.0000808300000000 ] - [ -0.0010118200000000, 0.0017525200000000, -0.0001476100000000 ] - [ -0.0010769000000000, 0.0018158100000000, -0.0000808300000000 ] - [ -0.0010716700000000, 0.0018561900000000, 0.0001726900000000 ] - [ -0.0010239500000000, 0.0018257800000000, 0.0000827100000000 ] - [ -0.0010216400000000, 0.0017695300000000, 0.0001137300000000 ] - [ -0.0010692000000000, 0.0017996600000000, 0.0000827100000000 ] - [ -0.0010150400000000, 0.0017581000000000, 0.0001724900000000 ] - [ -0.0010626300000000, 0.0017882900000000, 0.0000827100000000 ] - [ -0.0010650400000000, 0.0018447000000000, 0.0001139000000000 ] - [ -0.0010173900000000, 0.0018144100000000, 0.0000827100000000 ] - [ 0.0000287500000000, 0.0000005500000000, -0.0002630500000000 ] - [ 0.0000312700000000, 0.0000018100000000, -0.0005521200000000 ] - [ 0.0000293600000000, -0.0000010500000000, -0.0005521300000000 ] - [ 0.0000296100000000, 0.0000003900000000, -0.0001589800000000 ] - [ 0.0001640300000000, -0.0001535900000000, 0.0001505900000000 ] - [ -0.0000499500000000, -0.0002258600000000, 0.0001990000000000 ] - [ 0.0000316700000000, 0.0002862500000000, 0.0001990900000000 ] - [ 0.0000165000000000, 0.0000024700000000, 0.0000177000000000 ] - [ 0.0000296400000000, 0.0000003100000000, 0.0001389000000000 ] - [ 0.0000296100000000, 0.0000003000000000, 0.0001596500000000 ] - [ 0.0000296300000000, 0.0000004000000000, 0.0001596200000000 ] - [ 0.0000296000000000, 0.0000003800000000, 0.0001261900000000 ] - [ -0.0001049800000000, 0.0001540900000000, 0.0001507200000000 ] - [ 0.0001099000000000, 0.0002257600000000, 0.0001994100000000 ] - [ 0.0000270500000000, -0.0002853400000000, 0.0001993100000000 ] - [ 0.0000426300000000, -0.0000017100000000, 0.0000178500000000 ] - [ -0.0000172000000000, -0.0000261700000000, -0.0005521200000000 ] - [ -0.0000137700000000, -0.0000259600000000, -0.0005521300000000 ] - [ -0.0000151400000000, -0.0000254500000000, -0.0001589800000000 ] - [ -0.0000148500000000, -0.0000246300000000, -0.0002630500000000 ] - [ 0.0002205700000000, -0.0000696800000000, 0.0001990000000000 ] - [ -0.0002637300000000, 0.0001157000000000, 0.0001990900000000 ] - [ -0.0000103900000000, -0.0000130500000000, 0.0000177000000000 ] - [ 0.0000510000000000, -0.0002188500000000, 0.0001505900000000 ] - [ -0.0000150600000000, -0.0000255000000000, 0.0001596500000000 ] - [ -0.0000151600000000, -0.0000254500000000, 0.0001596200000000 ] - [ -0.0000151300000000, -0.0000254500000000, 0.0001261900000000 ] - [ -0.0000150900000000, -0.0000255200000000, 0.0001389000000000 ] - [ -0.0002504600000000, 0.0000177100000000, 0.0001994100000000 ] - [ 0.0002335900000000, -0.0001660900000000, 0.0001993100000000 ] - [ -0.0000198400000000, -0.0000377700000000, 0.0000178500000000 ] - [ -0.0000809600000000, 0.0001679600000000, 0.0001507200000000 ] - [ -0.0031778000000000, -0.0008936300000000, 0.0011862100000000 ] - [ -0.0005549600000000, -0.0017109300000000, -0.0001533000000000 ] - [ -0.0010512600000000, -0.0019672600000000, -0.0001163300000000 ] - [ -0.0010846100000000, -0.0017903000000000, -0.0000709800000000 ] - [ 0.0011161900000000, -0.0027290900000000, 0.0011963400000000 ] - [ -0.0015346900000000, -0.0019039900000000, -0.0001543500000000 ] - [ -0.0010349000000000, -0.0016465100000000, -0.0001165700000000 ] - [ -0.0010012300000000, -0.0018234400000000, -0.0000712000000000 ] - [ -0.0009859700000000, -0.0018255600000000, 0.0001588800000000 ] - [ -0.0010934700000000, -0.0018283000000000, 0.0000939000000000 ] - [ -0.0010323300000000, -0.0017428600000000, 0.0001288200000000 ] - [ -0.0010505100000000, -0.0018317800000000, 0.0000778500000000 ] - [ -0.0011001500000000, -0.0017888800000000, 0.0001589500000000 ] - [ -0.0009928900000000, -0.0017859300000000, 0.0000938600000000 ] - [ -0.0010538600000000, -0.0018710600000000, 0.0001286900000000 ] - [ -0.0010356700000000, -0.0017823100000000, 0.0000779000000000 ]- atom: 65 displacement: [ -0.0049999999959915, 0.0086602540401587, 0.0000000000000000 ] forces: - [ 0.0003622200000000, 0.0001927100000000, -0.0000332600000000 ] - [ -0.0032338200000000, 0.0008503900000000, -0.0027620800000000 ] - [ -0.0000948500000000, -0.0001771600000000, 0.0000458500000000 ] - [ 0.0000984800000000, -0.0004071600000000, -0.0001296600000000 ] - [ 0.0000501500000000, 0.0000270500000000, -0.0000695400000000 ] - [ -0.0000550300000000, 0.0000819700000000, 0.0000917000000000 ] - [ -0.0000366600000000, -0.0000516800000000, 0.0000542700000000 ] - [ 0.0000326200000000, -0.0001000300000000, -0.0000629700000000 ] - [ 0.0000501500000000, 0.0000270500000000, 0.0000695400000000 ] - [ -0.0000550300000000, 0.0000819700000000, -0.0000917000000000 ] - [ -0.0000366600000000, -0.0000516800000000, -0.0000542700000000 ] - [ 0.0000326200000000, -0.0001000300000000, 0.0000629700000000 ] - [ 0.0003622200000000, 0.0001927100000000, 0.0000332600000000 ] - [ -0.0032338200000000, 0.0008503900000000, 0.0027620800000000 ] - [ -0.0000948500000000, -0.0001771600000000, -0.0000458500000000 ] - [ 0.0000984800000000, -0.0004071600000000, 0.0001296600000000 ] - [ -0.0098059800000000, 0.0115647000000000, 0.0000000000000000 ] - [ 0.0001121600000000, 0.0001036100000000, 0.0000000000000000 ] - [ 0.0001698300000000, -0.0007346700000000, 0.0000000000000000 ] - [ -0.0001048300000000, -0.0000912900000000, 0.0000000000000000 ] - [ -0.0000232200000000, 0.0000844000000000, -0.0004054200000000 ] - [ 0.0001014600000000, 0.0000730600000000, 0.0000142700000000 ] - [ 0.0002686300000000, -0.0003325200000000, 0.0003232700000000 ] - [ -0.0000616500000000, -0.0000147600000000, 0.0000232000000000 ] - [ -0.0000212500000000, 0.0000340500000000, 0.0000000000000000 ] - [ 0.0000340600000000, 0.0000180100000000, 0.0000000000000000 ] - [ 0.0000177300000000, -0.0000480200000000, 0.0000000000000000 ] - [ -0.0000268200000000, -0.0000129400000000, 0.0000000000000000 ] - [ -0.0000232200000000, 0.0000844000000000, 0.0004054200000000 ] - [ 0.0001014600000000, 0.0000730600000000, -0.0000142700000000 ] - [ 0.0002686300000000, -0.0003325200000000, -0.0003232700000000 ] - [ -0.0000616500000000, -0.0000147600000000, -0.0000232000000000 ] - [ 0.0003585600000000, -0.0003410400000000, 0.0000000000000000 ] - [ -0.0005396600000000, -0.0001076500000000, 0.0000000000000000 ] - [ 0.0025984200000000, 0.0045228900000000, 0.0000000000000000 ] - [ 0.0006526300000000, -0.0000411700000000, 0.0000000000000000 ] - [ 0.0002228300000000, -0.0001565300000000, -0.0001137300000000 ] - [ -0.0003655200000000, -0.0001159100000000, -0.0002798200000000 ] - [ -0.0004167500000000, 0.0003855600000000, 0.0000664100000000 ] - [ 0.0001847000000000, -0.0000188500000000, 0.0000890800000000 ] - [ 0.0000615100000000, -0.0000576000000000, 0.0000000000000000 ] - [ -0.0000596300000000, 0.0000033200000000, 0.0000000000000000 ] - [ -0.0000756300000000, 0.0000603000000000, 0.0000000000000000 ] - [ 0.0000647400000000, -0.0000024000000000, 0.0000000000000000 ] - [ 0.0002228300000000, -0.0001565300000000, 0.0001137300000000 ] - [ -0.0003655200000000, -0.0001159100000000, 0.0002798200000000 ] - [ -0.0004167500000000, 0.0003855600000000, -0.0000664100000000 ] - [ 0.0001847000000000, -0.0000188500000000, -0.0000890800000000 ] - [ -0.0001382900000000, 0.0000202500000000, 0.0000354000000000 ] - [ 0.0010211400000000, 0.0017987200000000, 0.0018809700000000 ] - [ 0.0001748100000000, 0.0001021900000000, -0.0001623000000000 ] - [ -0.0001313300000000, 0.0001545600000000, -0.0001346800000000 ] - [ -0.0000596100000000, 0.0000276000000000, 0.0000176700000000 ] - [ 0.0000251800000000, -0.0000082300000000, 0.0000444600000000 ] - [ 0.0000255900000000, 0.0000171700000000, -0.0000068500000000 ] - [ -0.0000665700000000, 0.0000625700000000, -0.0000502100000000 ] - [ -0.0000596100000000, 0.0000276000000000, -0.0000176700000000 ] - [ 0.0000251800000000, -0.0000082300000000, -0.0000444600000000 ] - [ 0.0000255900000000, 0.0000171700000000, 0.0000068500000000 ] - [ -0.0000665700000000, 0.0000625700000000, 0.0000502100000000 ] - [ -0.0001382900000000, 0.0000202500000000, -0.0000354000000000 ] - [ 0.0010211400000000, 0.0017987200000000, -0.0018809700000000 ] - [ 0.0001748100000000, 0.0001021900000000, 0.0001623000000000 ] - [ -0.0001313300000000, 0.0001545600000000, 0.0001346800000000 ] - [ 0.0220986400000000, -0.0258912000000000, 0.0000000000000000 ] - [ 0.0019151600000000, -0.0001270800000000, 0.0000000000000000 ] - [ 0.0019575700000000, 0.0001999500000000, 0.0000000000000000 ] - [ 0.0021888300000000, 0.0000666400000000, 0.0000000000000000 ] - [ 0.0022763100000000, -0.0001243700000000, -0.0000930100000000 ] - [ 0.0020007600000000, -0.0000208000000000, 0.0000065500000000 ] - [ 0.0020019100000000, 0.0001601900000000, 0.0000380400000000 ] - [ 0.0021776300000000, 0.0000586600000000, -0.0000121900000000 ] - [ 0.0021235400000000, -0.0000367700000000, 0.0000000000000000 ] - [ 0.0020529600000000, -0.0000046900000000, 0.0000000000000000 ] - [ 0.0020558100000000, 0.0000329700000000, 0.0000000000000000 ] - [ 0.0021192800000000, -0.0000036500000000, 0.0000000000000000 ] - [ 0.0022763100000000, -0.0001243700000000, 0.0000930100000000 ] - [ 0.0020007600000000, -0.0000208000000000, -0.0000065500000000 ] - [ 0.0020019100000000, 0.0001601900000000, -0.0000380400000000 ] - [ 0.0021776300000000, 0.0000586600000000, 0.0000121900000000 ] - [ -0.0010892600000000, 0.0018840700000000, 0.0000000000000000 ] - [ -0.0008163100000000, 0.0024137800000000, 0.0000000000000000 ] - [ -0.0008176700000000, 0.0015659300000000, 0.0000000000000000 ] - [ -0.0046202800000000, 0.0035653100000000, 0.0000000000000000 ] - [ -0.0010763200000000, 0.0018527200000000, -0.0000005500000000 ] - [ -0.0010867200000000, 0.0019407000000000, 0.0001213800000000 ] - [ -0.0010867800000000, 0.0016738800000000, 0.0000816200000000 ] - [ -0.0011075600000000, 0.0018696500000000, -0.0001265600000000 ] - [ -0.0010618700000000, 0.0018312300000000, 0.0000000000000000 ] - [ -0.0010330700000000, 0.0018125300000000, 0.0000000000000000 ] - [ -0.0010332200000000, 0.0017846900000000, 0.0000000000000000 ] - [ -0.0010547000000000, 0.0018024300000000, 0.0000000000000000 ] - [ -0.0010763200000000, 0.0018527200000000, 0.0000005500000000 ] - [ -0.0010867200000000, 0.0019407000000000, -0.0001213800000000 ] - [ -0.0010867800000000, 0.0016738800000000, -0.0000816200000000 ] - [ -0.0011075600000000, 0.0018696500000000, 0.0001265600000000 ] - [ -0.0017177700000000, -0.0007403800000000, 0.0017980200000000 ] - [ -0.0001156000000000, -0.0001018000000000, -0.0000321400000000 ] - [ -0.0000196900000000, 0.0002150400000000, -0.0000094800000000 ] - [ 0.0000839600000000, 0.0001499600000000, 0.0000338800000000 ] - [ 0.0000608100000000, -0.0000552700000000, 0.0000282900000000 ] - [ 0.0000036900000000, -0.0000308200000000, -0.0000218200000000 ] - [ 0.0000121100000000, 0.0000725500000000, -0.0000193100000000 ] - [ 0.0000453200000000, 0.0000416800000000, 0.0000260100000000 ] - [ 0.0000608100000000, -0.0000552700000000, -0.0000282900000000 ] - [ 0.0000036900000000, -0.0000308200000000, 0.0000218200000000 ] - [ 0.0000121100000000, 0.0000725500000000, 0.0000193100000000 ] - [ 0.0000453200000000, 0.0000416800000000, -0.0000260100000000 ] - [ -0.0017177700000000, -0.0007403800000000, -0.0017980200000000 ] - [ -0.0001156000000000, -0.0001018000000000, 0.0000321400000000 ] - [ -0.0000196900000000, 0.0002150400000000, 0.0000094800000000 ] - [ 0.0000839600000000, 0.0001499600000000, -0.0000338800000000 ] - [ -0.0004006900000000, 0.0003019500000000, 0.0004929000000000 ] - [ 0.0000657100000000, -0.0000581600000000, -0.0000087100000000 ] - [ -0.0005437200000000, 0.0021343400000000, -0.0021294700000000 ] - [ -0.0000958200000000, -0.0000143300000000, -0.0000415300000000 ] - [ -0.0000419400000000, 0.0000048200000000, 0.0000505000000000 ] - [ 0.0000031400000000, -0.0000580300000000, -0.0000107700000000 ] - [ 0.0000288600000000, -0.0000528600000000, -0.0000572100000000 ] - [ -0.0000505900000000, -0.0000201500000000, 0.0000075200000000 ] - [ -0.0000419400000000, 0.0000048200000000, -0.0000505000000000 ] - [ 0.0000031400000000, -0.0000580300000000, 0.0000107700000000 ] - [ 0.0000288600000000, -0.0000528600000000, 0.0000572100000000 ] - [ -0.0000505900000000, -0.0000201500000000, -0.0000075200000000 ] - [ -0.0004006900000000, 0.0003019500000000, -0.0004929000000000 ] - [ 0.0000657100000000, -0.0000581600000000, 0.0000087100000000 ] - [ -0.0005437200000000, 0.0021343400000000, 0.0021294700000000 ] - [ -0.0000958200000000, -0.0000143300000000, 0.0000415300000000 ] - [ -0.0016826600000000, -0.0019791400000000, 0.0000000000000000 ] - [ -0.0007793700000000, -0.0020983300000000, 0.0000000000000000 ] - [ -0.0009482200000000, -0.0015538100000000, 0.0000000000000000 ] - [ -0.0010873400000000, -0.0016153200000000, 0.0000000000000000 ] - [ -0.0011377200000000, -0.0017975700000000, 0.0000859200000000 ] - [ -0.0010652600000000, -0.0021431300000000, -0.0002158500000000 ] - [ -0.0009072300000000, -0.0016643600000000, -0.0001488600000000 ] - [ -0.0010669300000000, -0.0017371800000000, 0.0000041700000000 ] - [ -0.0010536700000000, -0.0018117800000000, 0.0000000000000000 ] - [ -0.0010339900000000, -0.0018314500000000, 0.0000000000000000 ] - [ -0.0010293600000000, -0.0017976300000000, 0.0000000000000000 ] - [ -0.0010553500000000, -0.0017833800000000, 0.0000000000000000 ] - [ -0.0011377200000000, -0.0017975700000000, -0.0000859200000000 ] - [ -0.0010652600000000, -0.0021431300000000, 0.0002158500000000 ] - [ -0.0009072300000000, -0.0016643600000000, 0.0001488600000000 ] - [ -0.0010669300000000, -0.0017371800000000, -0.0000041700000000 ]- atom: 65 displacement: [ 0.0049999999959915, -0.0086602540401587, 0.0000000000000000 ] forces: - [ -0.0003638800000000, -0.0001957900000000, 0.0000318400000000 ] - [ 0.0032454100000000, -0.0008324700000000, 0.0027970500000000 ] - [ 0.0000923800000000, 0.0001721500000000, -0.0000447700000000 ] - [ -0.0001012000000000, 0.0004000100000000, 0.0001279100000000 ] - [ -0.0000528200000000, -0.0000314300000000, 0.0000690700000000 ] - [ 0.0000525100000000, -0.0000857100000000, -0.0000904000000000 ] - [ 0.0000341900000000, 0.0000471000000000, -0.0000543400000000 ] - [ -0.0000354100000000, 0.0000951300000000, 0.0000624200000000 ] - [ -0.0000528200000000, -0.0000314300000000, -0.0000690700000000 ] - [ 0.0000525100000000, -0.0000857100000000, 0.0000904000000000 ] - [ 0.0000341900000000, 0.0000471000000000, 0.0000543400000000 ] - [ -0.0000354100000000, 0.0000951300000000, -0.0000624200000000 ] - [ -0.0003638800000000, -0.0001957900000000, -0.0000318400000000 ] - [ 0.0032454100000000, -0.0008324700000000, -0.0027970500000000 ] - [ 0.0000923800000000, 0.0001721500000000, 0.0000447700000000 ] - [ -0.0001012000000000, 0.0004000100000000, -0.0001279100000000 ] - [ 0.0093920800000000, -0.0111009200000000, 0.0000000000000000 ] - [ -0.0001081900000000, -0.0001014700000000, 0.0000000000000000 ] - [ -0.0001659100000000, 0.0007307200000000, 0.0000000000000000 ] - [ 0.0001022600000000, 0.0000916500000000, 0.0000000000000000 ] - [ 0.0000212000000000, -0.0000810100000000, 0.0004039400000000 ] - [ -0.0001006300000000, -0.0000714800000000, -0.0000139100000000 ] - [ -0.0002693600000000, 0.0003318600000000, -0.0003228700000000 ] - [ 0.0000604700000000, 0.0000156200000000, -0.0000229100000000 ] - [ 0.0000207100000000, -0.0000324300000000, 0.0000000000000000 ] - [ -0.0000341100000000, -0.0000167400000000, 0.0000000000000000 ] - [ -0.0000181600000000, 0.0000486200000000, 0.0000000000000000 ] - [ 0.0000260900000000, 0.0000135600000000, 0.0000000000000000 ] - [ 0.0000212000000000, -0.0000810100000000, -0.0004039400000000 ] - [ -0.0001006300000000, -0.0000714800000000, 0.0000139100000000 ] - [ -0.0002693600000000, 0.0003318600000000, 0.0003228700000000 ] - [ 0.0000604700000000, 0.0000156200000000, 0.0000229100000000 ] - [ -0.0003536400000000, 0.0003387800000000, 0.0000000000000000 ] - [ 0.0005365000000000, 0.0001118900000000, 0.0000000000000000 ] - [ -0.0026473000000000, -0.0045291400000000, 0.0000000000000000 ] - [ -0.0006510800000000, 0.0000389200000000, 0.0000000000000000 ] - [ -0.0002194900000000, 0.0001561600000000, 0.0001123600000000 ] - [ 0.0003640500000000, 0.0001162300000000, 0.0002789600000000 ] - [ 0.0004159000000000, -0.0003849500000000, -0.0000651700000000 ] - [ -0.0001822500000000, 0.0000182700000000, -0.0000888600000000 ] - [ -0.0000602700000000, 0.0000578100000000, 0.0000000000000000 ] - [ 0.0000600700000000, -0.0000025400000000, 0.0000000000000000 ] - [ 0.0000765200000000, -0.0000600900000000, 0.0000000000000000 ] - [ -0.0000632000000000, 0.0000025000000000, 0.0000000000000000 ] - [ -0.0002194900000000, 0.0001561600000000, -0.0001123600000000 ] - [ 0.0003640500000000, 0.0001162300000000, -0.0002789600000000 ] - [ 0.0004159000000000, -0.0003849500000000, 0.0000651700000000 ] - [ -0.0001822500000000, 0.0000182700000000, 0.0000888600000000 ] - [ 0.0001082900000000, 0.0000314700000000, -0.0000351600000000 ] - [ -0.0010383800000000, -0.0017232200000000, -0.0018555500000000 ] - [ -0.0002015500000000, -0.0000491800000000, 0.0001603100000000 ] - [ 0.0001013100000000, -0.0001016100000000, 0.0001349000000000 ] - [ 0.0000306400000000, 0.0000243200000000, -0.0000176500000000 ] - [ -0.0000536700000000, 0.0000598200000000, -0.0000444300000000 ] - [ -0.0000540700000000, 0.0000348600000000, 0.0000067700000000 ] - [ 0.0000377000000000, -0.0000098900000000, 0.0000500400000000 ] - [ 0.0000306400000000, 0.0000243200000000, 0.0000176500000000 ] - [ -0.0000536700000000, 0.0000598200000000, 0.0000444300000000 ] - [ -0.0000540700000000, 0.0000348600000000, -0.0000067700000000 ] - [ 0.0000377000000000, -0.0000098900000000, -0.0000500400000000 ] - [ 0.0001082900000000, 0.0000314700000000, 0.0000351600000000 ] - [ -0.0010383800000000, -0.0017232200000000, 0.0018555500000000 ] - [ -0.0002015500000000, -0.0000491800000000, -0.0001603100000000 ] - [ 0.0001013100000000, -0.0001016100000000, -0.0001349000000000 ] - [ -0.0175476400000000, 0.0254480500000000, 0.0000000000000000 ] - [ 0.0022559200000000, 0.0001265300000000, 0.0000000000000000 ] - [ 0.0022142700000000, -0.0001994700000000, 0.0000000000000000 ] - [ 0.0019842400000000, -0.0000673400000000, 0.0000000000000000 ] - [ 0.0018981200000000, 0.0001230400000000, 0.0000916300000000 ] - [ 0.0021711700000000, 0.0000199800000000, -0.0000066400000000 ] - [ 0.0021704600000000, -0.0001602400000000, -0.0000375000000000 ] - [ 0.0019953200000000, -0.0000591500000000, 0.0000119100000000 ] - [ 0.0020493700000000, 0.0000358600000000, 0.0000000000000000 ] - [ 0.0021194600000000, 0.0000038900000000, 0.0000000000000000 ] - [ 0.0021166900000000, -0.0000335600000000, 0.0000000000000000 ] - [ 0.0020534200000000, 0.0000029400000000, 0.0000000000000000 ] - [ 0.0018981200000000, 0.0001230400000000, -0.0000916300000000 ] - [ 0.0021711700000000, 0.0000199800000000, 0.0000066400000000 ] - [ 0.0021704600000000, -0.0001602400000000, 0.0000375000000000 ] - [ 0.0019953200000000, -0.0000591500000000, -0.0000119100000000 ] - [ -0.0009986000000000, 0.0017294900000000, 0.0000000000000000 ] - [ -0.0012673000000000, 0.0012036200000000, 0.0000000000000000 ] - [ -0.0012685200000000, 0.0020470400000000, 0.0000000000000000 ] - [ 0.0026144000000000, 0.0000134600000000, 0.0000000000000000 ] - [ -0.0010112300000000, 0.0017606500000000, 0.0000003700000000 ] - [ -0.0010002700000000, 0.0016728900000000, -0.0001206700000000 ] - [ -0.0010003500000000, 0.0019388000000000, -0.0000812400000000 ] - [ -0.0009811900000000, 0.0017462100000000, 0.0001233400000000 ] - [ -0.0010253500000000, 0.0017821400000000, 0.0000000000000000 ] - [ -0.0010538200000000, 0.0018006700000000, 0.0000000000000000 ] - [ -0.0010538900000000, 0.0018287300000000, 0.0000000000000000 ] - [ -0.0010324400000000, 0.0018110400000000, 0.0000000000000000 ] - [ -0.0010112300000000, 0.0017606500000000, -0.0000003700000000 ] - [ -0.0010002700000000, 0.0016728900000000, 0.0001206700000000 ] - [ -0.0010003500000000, 0.0019388000000000, 0.0000812400000000 ] - [ -0.0009811900000000, 0.0017462100000000, -0.0001233400000000 ] - [ 0.0017688800000000, 0.0007322200000000, -0.0017852600000000 ] - [ 0.0001716700000000, 0.0001029100000000, 0.0000317100000000 ] - [ 0.0000783000000000, -0.0002125200000000, 0.0000091900000000 ] - [ -0.0000240900000000, -0.0001481900000000, -0.0000336800000000 ] - [ -0.0000012000000000, 0.0000562700000000, -0.0000283700000000 ] - [ 0.0000553000000000, 0.0000319300000000, 0.0000216100000000 ] - [ 0.0000469100000000, -0.0000710500000000, 0.0000194200000000 ] - [ 0.0000140500000000, -0.0000401600000000, -0.0000258500000000 ] - [ -0.0000012000000000, 0.0000562700000000, 0.0000283700000000 ] - [ 0.0000553000000000, 0.0000319300000000, -0.0000216100000000 ] - [ 0.0000469100000000, -0.0000710500000000, -0.0000194200000000 ] - [ 0.0000140500000000, -0.0000401600000000, 0.0000258500000000 ] - [ 0.0017688800000000, 0.0007322200000000, 0.0017852600000000 ] - [ 0.0001716700000000, 0.0001029100000000, -0.0000317100000000 ] - [ 0.0000783000000000, -0.0002125200000000, -0.0000091900000000 ] - [ -0.0000240900000000, -0.0001481900000000, 0.0000336800000000 ] - [ 0.0003691300000000, -0.0003477000000000, -0.0004869500000000 ] - [ -0.0000938100000000, 0.0000088800000000, 0.0000076000000000 ] - [ 0.0005190700000000, -0.0022122500000000, 0.0021646300000000 ] - [ 0.0000678800000000, -0.0000341300000000, 0.0000420100000000 ] - [ 0.0000138800000000, -0.0000533100000000, -0.0000501100000000 ] - [ -0.0000311500000000, 0.0000093400000000, 0.0000107300000000 ] - [ -0.0000568400000000, 0.0000046400000000, 0.0000570300000000 ] - [ 0.0000223200000000, -0.0000282300000000, -0.0000074400000000 ] - [ 0.0000138800000000, -0.0000533100000000, 0.0000501100000000 ] - [ -0.0000311500000000, 0.0000093400000000, -0.0000107300000000 ] - [ -0.0000568400000000, 0.0000046400000000, -0.0000570300000000 ] - [ 0.0000223200000000, -0.0000282300000000, 0.0000074400000000 ] - [ 0.0003691300000000, -0.0003477000000000, 0.0004869500000000 ] - [ -0.0000938100000000, 0.0000088800000000, -0.0000076000000000 ] - [ 0.0005190700000000, -0.0022122500000000, -0.0021646300000000 ] - [ 0.0000678800000000, -0.0000341300000000, -0.0000420100000000 ] - [ -0.0004090400000000, -0.0016375800000000, 0.0000000000000000 ] - [ -0.0013203700000000, -0.0015265300000000, 0.0000000000000000 ] - [ -0.0011392600000000, -0.0020577700000000, 0.0000000000000000 ] - [ -0.0009988000000000, -0.0019976700000000, 0.0000000000000000 ] - [ -0.0009488200000000, -0.0018167000000000, -0.0000856200000000 ] - [ -0.0010213700000000, -0.0014714300000000, 0.0002152200000000 ] - [ -0.0011797400000000, -0.0019498300000000, 0.0001490500000000 ] - [ -0.0010195000000000, -0.0018760800000000, -0.0000039500000000 ] - [ -0.0010328300000000, -0.0018020700000000, 0.0000000000000000 ] - [ -0.0010525300000000, -0.0017825900000000, 0.0000000000000000 ] - [ -0.0010571100000000, -0.0018158800000000, 0.0000000000000000 ] - [ -0.0010311100000000, -0.0018301300000000, 0.0000000000000000 ] - [ -0.0009488200000000, -0.0018167000000000, 0.0000856200000000 ] - [ -0.0010213700000000, -0.0014714300000000, -0.0002152200000000 ] - [ -0.0011797400000000, -0.0019498300000000, -0.0001490500000000 ] - [ -0.0010195000000000, -0.0018760800000000, 0.0000039500000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0004131500000000, 0.0000000000000000, 0.0002680900000000 ] - [ 0.0068202200000000, 0.0000000000000000, 0.0077119700000000 ] - [ 0.0000211500000000, 0.0000370300000000, 0.0001525000000000 ] - [ 0.0000211500000000, -0.0000370300000000, 0.0001525000000000 ] - [ 0.0000533000000000, 0.0000000000000000, -0.0002041200000000 ] - [ -0.0000499500000000, 0.0000000000000000, -0.0004488300000000 ] - [ -0.0000003100000000, 0.0000234700000000, -0.0001579200000000 ] - [ -0.0000003100000000, -0.0000234700000000, -0.0001579200000000 ] - [ -0.0000563300000000, 0.0000000000000000, -0.0002043100000000 ] - [ 0.0000479600000000, 0.0000000000000000, -0.0004478700000000 ] - [ -0.0000023300000000, -0.0000237100000000, -0.0001581700000000 ] - [ -0.0000023300000000, 0.0000237100000000, -0.0001581700000000 ] - [ -0.0004172600000000, 0.0000000000000000, 0.0002662000000000 ] - [ -0.0065917600000000, 0.0000000000000000, 0.0075311900000000 ] - [ -0.0000237400000000, -0.0000383900000000, 0.0001516200000000 ] - [ -0.0000237400000000, 0.0000383900000000, 0.0001516200000000 ] - [ 0.0000152400000000, -0.0000130700000000, 0.0007066700000000 ] - [ -0.0000007900000000, -0.0000007500000000, 0.0002601200000000 ] - [ 0.0000011300000000, 0.0000007700000000, 0.0005526700000000 ] - [ -0.0000006900000000, -0.0000003200000000, 0.0001870600000000 ] - [ 0.0001871700000000, -0.0002897700000000, -0.0002962200000000 ] - [ -0.0001671500000000, -0.0000889400000000, -0.0000386700000000 ] - [ -0.0001903300000000, 0.0002997400000000, -0.0002136800000000 ] - [ 0.0000201300000000, 0.0000501900000000, -0.0000157600000000 ] - [ 0.0000003200000000, 0.0000001500000000, -0.0002354900000000 ] - [ -0.0000000400000000, 0.0000000100000000, -0.0001839700000000 ] - [ 0.0000002100000000, 0.0000003000000000, -0.0002047600000000 ] - [ 0.0000000500000000, 0.0000001700000000, -0.0001523500000000 ] - [ -0.0001864800000000, 0.0002909000000000, -0.0002989300000000 ] - [ 0.0001662500000000, 0.0000882900000000, -0.0000380500000000 ] - [ 0.0001910700000000, -0.0002983100000000, -0.0002137200000000 ] - [ -0.0000206600000000, -0.0000498800000000, -0.0000164800000000 ] - [ -0.0000006900000000, 0.0000003200000000, 0.0001870600000000 ] - [ 0.0000011300000000, -0.0000007700000000, 0.0005526700000000 ] - [ 0.0000152400000000, 0.0000130700000000, 0.0007066700000000 ] - [ -0.0000007900000000, 0.0000007500000000, 0.0002601200000000 ] - [ 0.0000201300000000, -0.0000501900000000, -0.0000157600000000 ] - [ -0.0001903300000000, -0.0002997400000000, -0.0002136800000000 ] - [ 0.0001871700000000, 0.0002897700000000, -0.0002962200000000 ] - [ -0.0001671500000000, 0.0000889400000000, -0.0000386700000000 ] - [ 0.0000000500000000, -0.0000001700000000, -0.0001523500000000 ] - [ 0.0000002100000000, -0.0000003000000000, -0.0002047600000000 ] - [ 0.0000003200000000, -0.0000001500000000, -0.0002354900000000 ] - [ -0.0000000400000000, -0.0000000100000000, -0.0001839700000000 ] - [ -0.0000206600000000, 0.0000498800000000, -0.0000164800000000 ] - [ 0.0001910700000000, 0.0002983100000000, -0.0002137200000000 ] - [ -0.0001864800000000, -0.0002909000000000, -0.0002989300000000 ] - [ 0.0001662500000000, -0.0000882900000000, -0.0000380500000000 ] - [ -0.0000099300000000, 0.0000497700000000, -0.0000712600000000 ] - [ 0.0005836400000000, 0.0021793400000000, 0.0011970100000000 ] - [ -0.0000234900000000, 0.0000141200000000, -0.0001548500000000 ] - [ 0.0000269800000000, 0.0000255500000000, -0.0001164400000000 ] - [ -0.0000263400000000, 0.0000383400000000, 0.0000777600000000 ] - [ -0.0000210500000000, 0.0000670900000000, 0.0001588700000000 ] - [ -0.0000411100000000, -0.0000015500000000, 0.0000937300000000 ] - [ 0.0000328200000000, -0.0000154500000000, 0.0001288000000000 ] - [ -0.0000019600000000, 0.0000123800000000, 0.0000778300000000 ] - [ -0.0000079500000000, -0.0000165000000000, 0.0001588800000000 ] - [ 0.0000126100000000, 0.0000522000000000, 0.0000939300000000 ] - [ -0.0000612400000000, 0.0000657100000000, 0.0001285600000000 ] - [ -0.0000177400000000, 0.0000011600000000, -0.0000710400000000 ] - [ -0.0006066700000000, -0.0021034000000000, 0.0011854100000000 ] - [ -0.0000035900000000, 0.0000378300000000, -0.0001528500000000 ] - [ -0.0000555400000000, 0.0000243900000000, -0.0001165800000000 ] - [ 0.0018673400000000, 0.0000000000000000, -0.0249424400000000 ] - [ 0.0020873800000000, 0.0000000000000000, -0.0002188500000000 ] - [ 0.0020865700000000, -0.0000002800000000, -0.0000809400000000 ] - [ 0.0020865700000000, 0.0000002800000000, -0.0000809400000000 ] - [ 0.0019008400000000, 0.0000000000000000, 0.0000908900000000 ] - [ 0.0021000400000000, 0.0000000000000000, 0.0000524600000000 ] - [ 0.0021122600000000, -0.0000290400000000, -0.0000097300000000 ] - [ 0.0021122600000000, 0.0000290400000000, -0.0000097300000000 ] - [ 0.0020863800000000, 0.0000000000000000, 0.0001333400000000 ] - [ 0.0020866500000000, 0.0000000000000000, 0.0000821700000000 ] - [ 0.0020865100000000, -0.0000000800000000, 0.0000778900000000 ] - [ 0.0020865100000000, 0.0000000800000000, 0.0000778900000000 ] - [ 0.0022702000000000, 0.0000000000000000, 0.0000944700000000 ] - [ 0.0020737100000000, 0.0000000000000000, 0.0000520500000000 ] - [ 0.0020607600000000, 0.0000285300000000, -0.0000093100000000 ] - [ 0.0020607600000000, -0.0000285300000000, -0.0000093100000000 ] - [ -0.0010433100000000, 0.0018072900000000, -0.0000803400000000 ] - [ -0.0010443300000000, 0.0018050700000000, -0.0001320200000000 ] - [ -0.0010415900000000, 0.0018068700000000, -0.0001320100000000 ] - [ -0.0010449300000000, 0.0018065800000000, -0.0005663500000000 ] - [ -0.0010429500000000, 0.0018114600000000, 0.0000021600000000 ] - [ -0.0011251100000000, 0.0019528700000000, 0.0001046000000000 ] - [ -0.0011642700000000, 0.0017047800000000, 0.0001045200000000 ] - [ -0.0009188300000000, 0.0014849900000000, 0.0003039800000000 ] - [ -0.0010434600000000, 0.0018069500000000, 0.0000792400000000 ] - [ -0.0010435500000000, 0.0018069500000000, 0.0000869100000000 ] - [ -0.0010434700000000, 0.0018069100000000, 0.0000868700000000 ] - [ -0.0010435100000000, 0.0018068700000000, 0.0001216300000000 ] - [ -0.0010438600000000, 0.0018026800000000, 0.0000023200000000 ] - [ -0.0009622200000000, 0.0016607600000000, 0.0001045800000000 ] - [ -0.0009222700000000, 0.0019089500000000, 0.0001047200000000 ] - [ -0.0011687200000000, 0.0021270200000000, 0.0003030500000000 ] - [ -0.0035262700000000, 0.0000000000000000, 0.0020824300000000 ] - [ 0.0004215400000000, 0.0000000000000000, -0.0001470400000000 ] - [ 0.0000339700000000, -0.0000859300000000, -0.0000809700000000 ] - [ 0.0000339700000000, 0.0000859300000000, -0.0000809700000000 ] - [ -0.0000243900000000, 0.0000000000000000, 0.0001723800000000 ] - [ 0.0000698000000000, 0.0000000000000000, 0.0001137400000000 ] - [ 0.0000307300000000, -0.0000346200000000, 0.0000824800000000 ] - [ 0.0000307300000000, 0.0000346200000000, 0.0000824800000000 ] - [ 0.0000838400000000, 0.0000000000000000, 0.0001725500000000 ] - [ -0.0000100600000000, 0.0000000000000000, 0.0001134800000000 ] - [ 0.0000288700000000, 0.0000344800000000, 0.0000825600000000 ] - [ 0.0000288700000000, -0.0000344800000000, 0.0000825600000000 ] - [ 0.0035341700000000, 0.0000000000000000, 0.0020639800000000 ] - [ -0.0003575700000000, 0.0000000000000000, -0.0001468600000000 ] - [ 0.0000255900000000, 0.0000856300000000, -0.0000806000000000 ] - [ 0.0000255900000000, -0.0000856300000000, -0.0000806000000000 ] - [ -0.0000234900000000, -0.0000141200000000, -0.0001548500000000 ] - [ 0.0000269800000000, -0.0000255500000000, -0.0001164400000000 ] - [ 0.0005836400000000, -0.0021793400000000, 0.0011970100000000 ] - [ -0.0000099300000000, -0.0000497700000000, -0.0000712600000000 ] - [ -0.0000411100000000, 0.0000015500000000, 0.0000937300000000 ] - [ 0.0000328200000000, 0.0000154500000000, 0.0001288000000000 ] - [ -0.0000210500000000, -0.0000670900000000, 0.0001588700000000 ] - [ -0.0000263400000000, -0.0000383400000000, 0.0000777600000000 ] - [ 0.0000126100000000, -0.0000522000000000, 0.0000939300000000 ] - [ -0.0000612400000000, -0.0000657100000000, 0.0001285600000000 ] - [ -0.0000079500000000, 0.0000165000000000, 0.0001588800000000 ] - [ -0.0000019600000000, -0.0000123800000000, 0.0000778300000000 ] - [ -0.0000035900000000, -0.0000378300000000, -0.0001528500000000 ] - [ -0.0000555400000000, -0.0000243900000000, -0.0001165800000000 ] - [ -0.0006066700000000, 0.0021034000000000, 0.0011854100000000 ] - [ -0.0000177400000000, -0.0000011600000000, -0.0000710400000000 ] - [ -0.0010415900000000, -0.0018068700000000, -0.0001320100000000 ] - [ -0.0010449300000000, -0.0018065800000000, -0.0005663500000000 ] - [ -0.0010443300000000, -0.0018050700000000, -0.0001320200000000 ] - [ -0.0010433100000000, -0.0018072900000000, -0.0000803400000000 ] - [ -0.0011642700000000, -0.0017047800000000, 0.0001045200000000 ] - [ -0.0009188300000000, -0.0014849900000000, 0.0003039800000000 ] - [ -0.0011251100000000, -0.0019528700000000, 0.0001046000000000 ] - [ -0.0010429500000000, -0.0018114600000000, 0.0000021600000000 ] - [ -0.0010434700000000, -0.0018069100000000, 0.0000868700000000 ] - [ -0.0010435100000000, -0.0018068700000000, 0.0001216300000000 ] - [ -0.0010435500000000, -0.0018069500000000, 0.0000869100000000 ] - [ -0.0010434600000000, -0.0018069500000000, 0.0000792400000000 ] - [ -0.0009222700000000, -0.0019089500000000, 0.0001047200000000 ] - [ -0.0011687200000000, -0.0021270200000000, 0.0003030500000000 ] - [ -0.0009622200000000, -0.0016607600000000, 0.0001045800000000 ] - [ -0.0010438600000000, -0.0018026800000000, 0.0000023200000000 ]