# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/9243260d-0d9a-404b-b07d-8b7e401a3831/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 BaCaI4 / P2/m (10) / materials id 753575](https://mdr.nims.go.jp/datasets/17b7e53c-2dcc-4f0a-8560-22ae01b24c46) ## 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: "P2/m" number: 10 Hall_symbol: "-P 2y"supercell_matrix:- [ 3, 0, 0 ]- [ 0, 4, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 7.024177450000000, 0.000000000000000, -0.016481370000000 ] # a - [ 0.000000000000000, 4.711137270000000, 0.000000000000000 ] # b - [ -0.094476300000000, 0.000000000000000, 8.324441940000000 ] # c points: - symbol: Ba # 1 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 137.327000 - symbol: Ca # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 40.078000 - symbol: I # 3 coordinates: [ 0.739444450000000, 0.000000000000000, 0.694129180000000 ] mass: 126.904470 - symbol: I # 4 coordinates: [ 0.756225800000000, 0.500000000000000, 0.141695720000000 ] mass: 126.904470 - symbol: I # 5 coordinates: [ 0.243774200000000, 0.500000000000000, 0.858304280000000 ] mass: 126.904470 - symbol: I # 6 coordinates: [ 0.260555550000000, 0.000000000000000, 0.305870820000000 ] mass: 126.904470 reciprocal_lattice: # without 2pi - [ 0.142369215112408, 0.000000000000000, 0.001615785991983 ] # a* - [ 0.000000000000000, 0.212262972333218, 0.000000000000000 ] # b* - [ 0.000281873515100, 0.000000000000000, 0.120131371877497 ] # c*unit_cell: lattice: - [ 7.024177450000000, 0.000000000000000, -0.016481370000000 ] # a - [ 0.000000000000000, 4.711137270000000, 0.000000000000000 ] # b - [ -0.094476300000000, 0.000000000000000, 8.324441940000000 ] # c points: - symbol: Ba # 1 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ca # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 2 - symbol: I # 3 coordinates: [ 0.739444450000000, 0.000000000000000, 0.694129180000000 ] mass: 126.904470 reduced_to: 3 - symbol: I # 4 coordinates: [ 0.756225800000000, 0.500000000000000, 0.141695720000000 ] mass: 126.904470 reduced_to: 4 - symbol: I # 5 coordinates: [ 0.243774200000000, 0.500000000000000, 0.858304280000000 ] mass: 126.904470 reduced_to: 5 - symbol: I # 6 coordinates: [ 0.260555550000000, 0.000000000000000, 0.305870820000000 ] mass: 126.904470 reduced_to: 6supercell: lattice: - [ 21.072532349999999, 0.000000000000000, -0.049444110000000 ] # a - [ 0.000000000000000, 18.844549080000000, 0.000000000000000 ] # b - [ -0.188952600000000, 0.000000000000000, 16.648883880000000 ] # c points: - symbol: Ba # 1 coordinates: [ 0.000000000000000, 0.125000000000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.333333333333333, 0.125000000000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 3 coordinates: [ 0.666666666666667, 0.125000000000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 4 coordinates: [ 0.000000000000000, 0.375000000000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 5 coordinates: [ 0.333333333333333, 0.375000000000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 6 coordinates: [ 0.666666666666667, 0.375000000000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 7 coordinates: [ 0.000000000000000, 0.625000000000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 8 coordinates: [ 0.333333333333333, 0.625000000000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 9 coordinates: [ 0.666666666666667, 0.625000000000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 10 coordinates: [ 0.000000000000000, 0.875000000000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 11 coordinates: [ 0.333333333333333, 0.875000000000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 12 coordinates: [ 0.666666666666667, 0.875000000000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 13 coordinates: [ 0.000000000000000, 0.125000000000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 14 coordinates: [ 0.333333333333333, 0.125000000000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 15 coordinates: [ 0.666666666666667, 0.125000000000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 16 coordinates: [ 0.000000000000000, 0.375000000000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 17 coordinates: [ 0.333333333333333, 0.375000000000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 18 coordinates: [ 0.666666666666667, 0.375000000000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 19 coordinates: [ 0.000000000000000, 0.625000000000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 20 coordinates: [ 0.333333333333333, 0.625000000000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 21 coordinates: [ 0.666666666666667, 0.625000000000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 22 coordinates: [ 0.000000000000000, 0.875000000000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 23 coordinates: [ 0.333333333333333, 0.875000000000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 24 coordinates: [ 0.666666666666667, 0.875000000000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ca # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 25 - symbol: Ca # 26 coordinates: [ 0.333333333333333, 0.000000000000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 25 - symbol: Ca # 27 coordinates: [ 0.666666666666667, 0.000000000000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 25 - symbol: Ca # 28 coordinates: [ 0.000000000000000, 0.250000000000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 25 - symbol: Ca # 29 coordinates: [ 0.333333333333333, 0.250000000000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 25 - symbol: Ca # 30 coordinates: [ 0.666666666666667, 0.250000000000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 25 - symbol: Ca # 31 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 25 - symbol: Ca # 32 coordinates: [ 0.333333333333333, 0.500000000000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 25 - symbol: Ca # 33 coordinates: [ 0.666666666666667, 0.500000000000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 25 - symbol: Ca # 34 coordinates: [ 0.000000000000000, 0.750000000000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 25 - symbol: Ca # 35 coordinates: [ 0.333333333333333, 0.750000000000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 25 - symbol: Ca # 36 coordinates: [ 0.666666666666667, 0.750000000000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 25 - symbol: Ca # 37 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 40.078000 reduced_to: 25 - symbol: Ca # 38 coordinates: [ 0.333333333333333, 0.000000000000000, 0.500000000000000 ] mass: 40.078000 reduced_to: 25 - symbol: Ca # 39 coordinates: [ 0.666666666666667, 0.000000000000000, 0.500000000000000 ] mass: 40.078000 reduced_to: 25 - symbol: Ca # 40 coordinates: [ 0.000000000000000, 0.250000000000000, 0.500000000000000 ] mass: 40.078000 reduced_to: 25 - symbol: Ca # 41 coordinates: [ 0.333333333333333, 0.250000000000000, 0.500000000000000 ] mass: 40.078000 reduced_to: 25 - symbol: Ca # 42 coordinates: [ 0.666666666666667, 0.250000000000000, 0.500000000000000 ] mass: 40.078000 reduced_to: 25 - symbol: Ca # 43 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 40.078000 reduced_to: 25 - symbol: Ca # 44 coordinates: [ 0.333333333333333, 0.500000000000000, 0.500000000000000 ] mass: 40.078000 reduced_to: 25 - symbol: Ca # 45 coordinates: [ 0.666666666666667, 0.500000000000000, 0.500000000000000 ] mass: 40.078000 reduced_to: 25 - symbol: Ca # 46 coordinates: [ 0.000000000000000, 0.750000000000000, 0.500000000000000 ] mass: 40.078000 reduced_to: 25 - symbol: Ca # 47 coordinates: [ 0.333333333333333, 0.750000000000000, 0.500000000000000 ] mass: 40.078000 reduced_to: 25 - symbol: Ca # 48 coordinates: [ 0.666666666666667, 0.750000000000000, 0.500000000000000 ] mass: 40.078000 reduced_to: 25 - symbol: I # 49 coordinates: [ 0.246481483333333, 0.000000000000000, 0.347064590000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 50 coordinates: [ 0.579814816666667, 0.000000000000000, 0.347064590000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 51 coordinates: [ 0.913148150000000, 0.000000000000000, 0.347064590000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 52 coordinates: [ 0.246481483333333, 0.250000000000000, 0.347064590000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 53 coordinates: [ 0.579814816666667, 0.250000000000000, 0.347064590000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 54 coordinates: [ 0.913148150000000, 0.250000000000000, 0.347064590000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 55 coordinates: [ 0.246481483333333, 0.500000000000000, 0.347064590000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 56 coordinates: [ 0.579814816666667, 0.500000000000000, 0.347064590000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 57 coordinates: [ 0.913148150000000, 0.500000000000000, 0.347064590000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 58 coordinates: [ 0.246481483333333, 0.750000000000000, 0.347064590000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 59 coordinates: [ 0.579814816666667, 0.750000000000000, 0.347064590000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 60 coordinates: [ 0.913148150000000, 0.750000000000000, 0.347064590000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 61 coordinates: [ 0.246481483333333, 0.000000000000000, 0.847064590000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 62 coordinates: [ 0.579814816666667, 0.000000000000000, 0.847064590000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 63 coordinates: [ 0.913148150000000, 0.000000000000000, 0.847064590000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 64 coordinates: [ 0.246481483333333, 0.250000000000000, 0.847064590000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 65 coordinates: [ 0.579814816666667, 0.250000000000000, 0.847064590000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 66 coordinates: [ 0.913148150000000, 0.250000000000000, 0.847064590000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 67 coordinates: [ 0.246481483333333, 0.500000000000000, 0.847064590000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 68 coordinates: [ 0.579814816666667, 0.500000000000000, 0.847064590000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 69 coordinates: [ 0.913148150000000, 0.500000000000000, 0.847064590000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 70 coordinates: [ 0.246481483333333, 0.750000000000000, 0.847064590000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 71 coordinates: [ 0.579814816666667, 0.750000000000000, 0.847064590000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 72 coordinates: [ 0.913148150000000, 0.750000000000000, 0.847064590000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 73 coordinates: [ 0.252075266666667, 0.125000000000000, 0.070847860000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 74 coordinates: [ 0.585408600000000, 0.125000000000000, 0.070847860000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 75 coordinates: [ 0.918741933333333, 0.125000000000000, 0.070847860000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 76 coordinates: [ 0.252075266666667, 0.375000000000000, 0.070847860000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 77 coordinates: [ 0.585408600000000, 0.375000000000000, 0.070847860000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 78 coordinates: [ 0.918741933333333, 0.375000000000000, 0.070847860000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 79 coordinates: [ 0.252075266666667, 0.625000000000000, 0.070847860000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 80 coordinates: [ 0.585408600000000, 0.625000000000000, 0.070847860000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 81 coordinates: [ 0.918741933333333, 0.625000000000000, 0.070847860000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 82 coordinates: [ 0.252075266666667, 0.875000000000000, 0.070847860000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 83 coordinates: [ 0.585408600000000, 0.875000000000000, 0.070847860000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 84 coordinates: [ 0.918741933333333, 0.875000000000000, 0.070847860000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 85 coordinates: [ 0.252075266666667, 0.125000000000000, 0.570847860000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 86 coordinates: [ 0.585408600000000, 0.125000000000000, 0.570847860000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 87 coordinates: [ 0.918741933333333, 0.125000000000000, 0.570847860000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 88 coordinates: [ 0.252075266666667, 0.375000000000000, 0.570847860000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 89 coordinates: [ 0.585408600000000, 0.375000000000000, 0.570847860000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 90 coordinates: [ 0.918741933333333, 0.375000000000000, 0.570847860000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 91 coordinates: [ 0.252075266666667, 0.625000000000000, 0.570847860000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 92 coordinates: [ 0.585408600000000, 0.625000000000000, 0.570847860000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 93 coordinates: [ 0.918741933333333, 0.625000000000000, 0.570847860000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 94 coordinates: [ 0.252075266666667, 0.875000000000000, 0.570847860000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 95 coordinates: [ 0.585408600000000, 0.875000000000000, 0.570847860000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 96 coordinates: [ 0.918741933333333, 0.875000000000000, 0.570847860000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 97 coordinates: [ 0.081258066666667, 0.125000000000000, 0.429152140000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 98 coordinates: [ 0.414591400000000, 0.125000000000000, 0.429152140000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 99 coordinates: [ 0.747924733333333, 0.125000000000000, 0.429152140000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 100 coordinates: [ 0.081258066666667, 0.375000000000000, 0.429152140000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 101 coordinates: [ 0.414591400000000, 0.375000000000000, 0.429152140000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 102 coordinates: [ 0.747924733333333, 0.375000000000000, 0.429152140000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 103 coordinates: [ 0.081258066666667, 0.625000000000000, 0.429152140000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 104 coordinates: [ 0.414591400000000, 0.625000000000000, 0.429152140000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 105 coordinates: [ 0.747924733333333, 0.625000000000000, 0.429152140000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 106 coordinates: [ 0.081258066666667, 0.875000000000000, 0.429152140000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 107 coordinates: [ 0.414591400000000, 0.875000000000000, 0.429152140000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 108 coordinates: [ 0.747924733333333, 0.875000000000000, 0.429152140000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 109 coordinates: [ 0.081258066666667, 0.125000000000000, 0.929152140000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 110 coordinates: [ 0.414591400000000, 0.125000000000000, 0.929152140000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 111 coordinates: [ 0.747924733333333, 0.125000000000000, 0.929152140000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 112 coordinates: [ 0.081258066666667, 0.375000000000000, 0.929152140000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 113 coordinates: [ 0.414591400000000, 0.375000000000000, 0.929152140000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 114 coordinates: [ 0.747924733333333, 0.375000000000000, 0.929152140000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 115 coordinates: [ 0.081258066666667, 0.625000000000000, 0.929152140000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 116 coordinates: [ 0.414591400000000, 0.625000000000000, 0.929152140000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 117 coordinates: [ 0.747924733333333, 0.625000000000000, 0.929152140000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 118 coordinates: [ 0.081258066666667, 0.875000000000000, 0.929152140000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 119 coordinates: [ 0.414591400000000, 0.875000000000000, 0.929152140000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 120 coordinates: [ 0.747924733333333, 0.875000000000000, 0.929152140000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 121 coordinates: [ 0.086851850000000, 0.000000000000000, 0.152935410000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 122 coordinates: [ 0.420185183333333, 0.000000000000000, 0.152935410000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 123 coordinates: [ 0.753518516666667, 0.000000000000000, 0.152935410000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 124 coordinates: [ 0.086851850000000, 0.250000000000000, 0.152935410000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 125 coordinates: [ 0.420185183333333, 0.250000000000000, 0.152935410000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 126 coordinates: [ 0.753518516666667, 0.250000000000000, 0.152935410000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 127 coordinates: [ 0.086851850000000, 0.500000000000000, 0.152935410000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 128 coordinates: [ 0.420185183333333, 0.500000000000000, 0.152935410000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 129 coordinates: [ 0.753518516666667, 0.500000000000000, 0.152935410000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 130 coordinates: [ 0.086851850000000, 0.750000000000000, 0.152935410000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 131 coordinates: [ 0.420185183333333, 0.750000000000000, 0.152935410000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 132 coordinates: [ 0.753518516666667, 0.750000000000000, 0.152935410000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 133 coordinates: [ 0.086851850000000, 0.000000000000000, 0.652935410000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 134 coordinates: [ 0.420185183333333, 0.000000000000000, 0.652935410000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 135 coordinates: [ 0.753518516666667, 0.000000000000000, 0.652935410000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 136 coordinates: [ 0.086851850000000, 0.250000000000000, 0.652935410000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 137 coordinates: [ 0.420185183333333, 0.250000000000000, 0.652935410000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 138 coordinates: [ 0.753518516666667, 0.250000000000000, 0.652935410000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 139 coordinates: [ 0.086851850000000, 0.500000000000000, 0.652935410000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 140 coordinates: [ 0.420185183333333, 0.500000000000000, 0.652935410000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 141 coordinates: [ 0.753518516666667, 0.500000000000000, 0.652935410000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 142 coordinates: [ 0.086851850000000, 0.750000000000000, 0.652935410000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 143 coordinates: [ 0.420185183333333, 0.750000000000000, 0.652935410000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 144 coordinates: [ 0.753518516666667, 0.750000000000000, 0.652935410000000 ] mass: 126.904470 reduced_to: 121born_effective_charge:- # 1 (Ba) - [ 1.646680850000000, 0.000000000000000, -0.079702630000000 ] - [ 0.000000000000000, 2.566640310000000, 0.000000000000000 ] - [ -0.148951610000000, 0.000000000000000, 3.026697200000000 ]- # 2 (Ca) - [ 1.534186300000000, 0.000000000000000, 0.045754230000000 ] - [ 0.000000000000000, 2.632433650000000, 0.000000000000000 ] - [ 0.122803290000000, 0.000000000000000, 2.301821770000000 ]- # 3 (I) - [ -0.831075480000000, 0.000000000000000, -0.015087190000000 ] - [ 0.000000000000000, -1.227404240000000, 0.000000000000000 ] - [ 0.018823950000000, 0.000000000000000, -1.378887450000000 ]- # 4 (I) - [ -0.759358100000000, 0.000000000000000, 0.032061390000000 ] - [ 0.000000000000000, -1.372132740000000, 0.000000000000000 ] - [ -0.005749780000000, 0.000000000000000, -1.285372040000000 ]- # 5 (I) - [ -0.759358100000000, 0.000000000000000, 0.032061390000000 ] - [ 0.000000000000000, -1.372132740000000, 0.000000000000000 ] - [ -0.005749780000000, 0.000000000000000, -1.285372040000000 ]- # 6 (I) - [ -0.831075480000000, 0.000000000000000, -0.015087190000000 ] - [ 0.000000000000000, -1.227404240000000, 0.000000000000000 ] - [ 0.018823950000000, 0.000000000000000, -1.378887450000000 ]dielectric_constant: - [ 3.354908710000000, 0.000000000000000, -0.020874170000000 ] - [ 0.000000000000000, 3.774727400000000, 0.000000000000000 ] - [ -0.020836190000000, 0.000000000000000, 3.798569120000000 ]displacements:- atom: 1 displacement: [ 0.0099999724726832, 0.0000000000000000, -0.0000234637076704 ] forces: - [ -0.0285199000000000, 0.0000000000000000, 0.0038254900000000 ] - [ 0.0008418300000000, 0.0000000000000000, -0.0000384700000000 ] - [ 0.0008366300000000, 0.0000000000000000, -0.0000382000000000 ] - [ -0.0026597600000000, -0.0000083300000000, 0.0016762500000000 ] - [ 0.0003395700000000, 0.0003420400000000, -0.0000509600000000 ] - [ 0.0003382500000000, -0.0003392400000000, -0.0000496000000000 ] - [ -0.0002902800000000, 0.0000000000000000, 0.0002107400000000 ] - [ 0.0000806100000000, 0.0000000000000000, 0.0000151800000000 ] - [ 0.0000787000000000, 0.0000000000000000, 0.0000126700000000 ] - [ -0.0026597600000000, 0.0000083300000000, 0.0016762500000000 ] - [ 0.0003395700000000, -0.0003420400000000, -0.0000509600000000 ] - [ 0.0003382500000000, 0.0003392400000000, -0.0000496000000000 ] - [ -0.0004549000000000, 0.0000000000000000, -0.0000682600000000 ] - [ 0.0001472400000000, 0.0000000000000000, 0.0000436200000000 ] - [ 0.0001475900000000, 0.0000000000000000, 0.0000427100000000 ] - [ -0.0003453900000000, 0.0000003500000000, -0.0001867100000000 ] - [ 0.0000939100000000, 0.0000791700000000, -0.0000191700000000 ] - [ 0.0000945700000000, -0.0000770000000000, -0.0000200200000000 ] - [ -0.0001121900000000, 0.0000000000000000, -0.0000638800000000 ] - [ 0.0000575100000000, 0.0000000000000000, -0.0000343700000000 ] - [ 0.0000583200000000, 0.0000000000000000, -0.0000350000000000 ] - [ -0.0003453900000000, -0.0000003500000000, -0.0001867100000000 ] - [ 0.0000939100000000, -0.0000791700000000, -0.0000191700000000 ] - [ 0.0000945700000000, 0.0000770000000000, -0.0000200200000000 ] - [ -0.0025720300000000, 0.0012799000000000, -0.0010048300000000 ] - [ 0.0003064700000000, -0.0002159700000000, -0.0002065400000000 ] - [ 0.0003095900000000, 0.0001276200000000, 0.0003446500000000 ] - [ -0.0025720300000000, -0.0012799000000000, -0.0010048300000000 ] - [ 0.0003064700000000, 0.0002159700000000, -0.0002065400000000 ] - [ 0.0003095900000000, -0.0001276200000000, 0.0003446500000000 ] - [ -0.0002685900000000, 0.0000494300000000, 0.0000059200000000 ] - [ 0.0001292200000000, 0.0001441600000000, -0.0000816400000000 ] - [ 0.0000615100000000, -0.0000884000000000, 0.0000480400000000 ] - [ -0.0002685900000000, -0.0000494300000000, 0.0000059200000000 ] - [ 0.0001292200000000, -0.0001441600000000, -0.0000816400000000 ] - [ 0.0000615100000000, 0.0000884000000000, 0.0000480400000000 ] - [ -0.0025714900000000, -0.0012760900000000, -0.0010091200000000 ] - [ 0.0003117300000000, -0.0001277200000000, 0.0003451200000000 ] - [ 0.0003068500000000, 0.0002145300000000, -0.0002050300000000 ] - [ -0.0025714900000000, 0.0012760900000000, -0.0010091200000000 ] - [ 0.0003117300000000, 0.0001277200000000, 0.0003451200000000 ] - [ 0.0003068500000000, -0.0002145300000000, -0.0002050300000000 ] - [ -0.0002685100000000, -0.0000489200000000, 0.0000082300000000 ] - [ 0.0000614800000000, 0.0000917800000000, 0.0000481200000000 ] - [ 0.0001254200000000, -0.0001440100000000, -0.0000785100000000 ] - [ -0.0002685100000000, 0.0000489200000000, 0.0000082300000000 ] - [ 0.0000614800000000, -0.0000917800000000, 0.0000481200000000 ] - [ 0.0001254200000000, 0.0001440100000000, -0.0000785100000000 ] - [ -0.0003748100000000, 0.0001436000000000, -0.0002019900000000 ] - [ -0.0001470700000000, -0.0000815600000000, -0.0000109100000000 ] - [ 0.0070114800000000, 0.0058927000000000, -0.0040939100000000 ] - [ -0.0003748100000000, -0.0001436000000000, -0.0002019900000000 ] - [ -0.0001470700000000, 0.0000815600000000, -0.0000109100000000 ] - [ 0.0070114800000000, -0.0058927000000000, -0.0040939100000000 ] - [ 0.0000153500000000, -0.0000747700000000, -0.0000881700000000 ] - [ -0.0000647800000000, 0.0000774000000000, -0.0000266300000000 ] - [ 0.0002814800000000, 0.0000276800000000, -0.0001561700000000 ] - [ 0.0000153500000000, 0.0000747700000000, -0.0000881700000000 ] - [ -0.0000647800000000, -0.0000774000000000, -0.0000266300000000 ] - [ 0.0002814800000000, -0.0000276800000000, -0.0001561700000000 ] - [ 0.0000004900000000, 0.0000360500000000, 0.0000350200000000 ] - [ -0.0000701500000000, -0.0000390900000000, -0.0001031900000000 ] - [ 0.0002927200000000, -0.0001037800000000, -0.0001069600000000 ] - [ 0.0000004900000000, -0.0000360500000000, 0.0000350200000000 ] - [ -0.0000701500000000, 0.0000390900000000, -0.0001031900000000 ] - [ 0.0002927200000000, 0.0001037800000000, -0.0001069600000000 ] - [ 0.0000214700000000, -0.0000279800000000, -0.0000104700000000 ] - [ -0.0000224500000000, 0.0000242400000000, -0.0000470000000000 ] - [ 0.0001200500000000, -0.0000044800000000, -0.0000217900000000 ] - [ 0.0000214700000000, 0.0000279800000000, -0.0000104700000000 ] - [ -0.0000224500000000, -0.0000242400000000, -0.0000470000000000 ] - [ 0.0001200500000000, 0.0000044800000000, -0.0000217900000000 ] - [ -0.0003364900000000, 0.0000000000000000, 0.0001438200000000 ] - [ -0.0001962500000000, 0.0000000000000000, -0.0001377400000000 ] - [ 0.0057259600000000, 0.0000000000000000, 0.0065797000000000 ] - [ -0.0001415400000000, -0.0001310000000000, 0.0000187200000000 ] - [ -0.0001432600000000, 0.0001147100000000, -0.0001031000000000 ] - [ 0.0004482100000000, 0.0000517000000000, -0.0001049100000000 ] - [ -0.0000433400000000, 0.0000000000000000, -0.0000454300000000 ] - [ -0.0000752600000000, 0.0000000000000000, -0.0000548600000000 ] - [ 0.0000524300000000, 0.0000000000000000, -0.0000592400000000 ] - [ -0.0001415400000000, 0.0001310000000000, 0.0000187200000000 ] - [ -0.0001432600000000, -0.0001147100000000, -0.0001031000000000 ] - [ 0.0004482100000000, -0.0000517000000000, -0.0001049100000000 ] - [ -0.0001113600000000, 0.0000000000000000, -0.0001459100000000 ] - [ -0.0001779100000000, 0.0000000000000000, 0.0000443400000000 ] - [ 0.0005645500000000, 0.0000000000000000, 0.0000668000000000 ] - [ -0.0000437200000000, -0.0000935200000000, -0.0000989700000000 ] - [ -0.0001190700000000, 0.0000533100000000, 0.0000128100000000 ] - [ 0.0001951500000000, 0.0001212300000000, 0.0001682500000000 ] - [ -0.0000285800000000, 0.0000000000000000, -0.0000581800000000 ] - [ -0.0000761900000000, 0.0000000000000000, -0.0000152800000000 ] - [ 0.0000345900000000, 0.0000000000000000, -0.0000303700000000 ] - [ -0.0000437200000000, 0.0000935200000000, -0.0000989700000000 ] - [ -0.0001190700000000, -0.0000533100000000, 0.0000128100000000 ] - [ 0.0001951500000000, -0.0001212300000000, 0.0001682500000000 ] - [ 0.0058012100000000, 0.0000000000000000, 0.0067978500000000 ] - [ -0.0001428700000000, 0.0000000000000000, -0.0000490700000000 ] - [ -0.0002798900000000, 0.0000000000000000, 0.0002314200000000 ] - [ 0.0005045400000000, -0.0000516600000000, -0.0000164400000000 ] - [ -0.0000883000000000, -0.0001157000000000, -0.0000142300000000 ] - [ -0.0000856800000000, 0.0001310800000000, 0.0001072600000000 ] - [ 0.0001064200000000, 0.0000000000000000, 0.0000295400000000 ] - [ -0.0000225000000000, 0.0000000000000000, 0.0000334700000000 ] - [ 0.0000146800000000, 0.0000000000000000, 0.0000429000000000 ] - [ 0.0005045400000000, 0.0000516600000000, -0.0000164400000000 ] - [ -0.0000883000000000, 0.0001157000000000, -0.0000142300000000 ] - [ -0.0000856800000000, -0.0001310800000000, 0.0001072600000000 ] - [ 0.0006196600000000, 0.0000000000000000, 0.0001569100000000 ] - [ -0.0001221300000000, 0.0000000000000000, 0.0001345000000000 ] - [ -0.0000549300000000, 0.0000000000000000, -0.0000554700000000 ] - [ 0.0002494300000000, -0.0001203700000000, 0.0002569700000000 ] - [ -0.0000632800000000, -0.0000538700000000, 0.0001022400000000 ] - [ 0.0000118200000000, 0.0000926400000000, -0.0000092200000000 ] - [ 0.0000895700000000, 0.0000000000000000, 0.0000591900000000 ] - [ -0.0000241800000000, 0.0000000000000000, 0.0000740100000000 ] - [ 0.0000249300000000, 0.0000000000000000, 0.0000304100000000 ] - [ 0.0002494300000000, 0.0001203700000000, 0.0002569700000000 ] - [ -0.0000632800000000, 0.0000538700000000, 0.0001022400000000 ] - [ 0.0000118200000000, -0.0000926400000000, -0.0000092200000000 ] - [ 0.0069984300000000, -0.0060306500000000, -0.0041024200000000 ] - [ -0.0002145500000000, 0.0000819200000000, 0.0000774100000000 ] - [ -0.0004389100000000, -0.0001419800000000, -0.0001130000000000 ] - [ 0.0069984300000000, 0.0060306500000000, -0.0041024200000000 ] - [ -0.0002145500000000, -0.0000819200000000, 0.0000774100000000 ] - [ -0.0004389100000000, 0.0001419800000000, -0.0001130000000000 ] - [ 0.0002152400000000, -0.0000272000000000, -0.0000687000000000 ] - [ -0.0001336200000000, -0.0000778200000000, 0.0000614900000000 ] - [ -0.0000521200000000, 0.0000740100000000, 0.0000000800000000 ] - [ 0.0002152400000000, 0.0000272000000000, -0.0000687000000000 ] - [ -0.0001336200000000, 0.0000778200000000, 0.0000614900000000 ] - [ -0.0000521200000000, -0.0000740100000000, 0.0000000800000000 ] - [ 0.0002266300000000, 0.0001031200000000, -0.0000186400000000 ] - [ -0.0001364500000000, 0.0000387200000000, -0.0000161700000000 ] - [ -0.0000670100000000, -0.0000362600000000, 0.0001221800000000 ] - [ 0.0002266300000000, -0.0001031200000000, -0.0000186400000000 ] - [ -0.0001364500000000, -0.0000387200000000, -0.0000161700000000 ] - [ -0.0000670100000000, 0.0000362600000000, 0.0001221800000000 ] - [ 0.0000523200000000, 0.0000048000000000, 0.0000656200000000 ] - [ -0.0000900600000000, -0.0000246300000000, 0.0000409100000000 ] - [ -0.0000474200000000, 0.0000283200000000, 0.0000770700000000 ] - [ 0.0000523200000000, -0.0000048000000000, 0.0000656200000000 ] - [ -0.0000900600000000, 0.0000246300000000, 0.0000409100000000 ] - [ -0.0000474200000000, -0.0000283200000000, 0.0000770700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0435463800000000, 0.0000000000000000 ] - [ -0.0000004600000000, -0.0005620100000000, 0.0000003300000000 ] - [ 0.0000004600000000, -0.0005620100000000, -0.0000003300000000 ] - [ 0.0000000000000000, 0.0068532000000000, 0.0000000000000000 ] - [ 0.0003412400000000, 0.0001194200000000, 0.0000570700000000 ] - [ -0.0003412400000000, 0.0001194200000000, -0.0000570700000000 ] - [ 0.0000000000000000, 0.0013209900000000, 0.0000000000000000 ] - [ 0.0000003700000000, 0.0003243300000000, -0.0000002500000000 ] - [ -0.0000003700000000, 0.0003243300000000, 0.0000002500000000 ] - [ 0.0000000000000000, 0.0067866300000000, 0.0000000000000000 ] - [ -0.0003408400000000, 0.0001198400000000, -0.0000587100000000 ] - [ 0.0003408400000000, 0.0001198400000000, 0.0000587100000000 ] - [ 0.0000000000000000, -0.0005218700000000, 0.0000000000000000 ] - [ -0.0000004800000000, -0.0002198000000000, -0.0000001700000000 ] - [ 0.0000004800000000, -0.0002198000000000, 0.0000001700000000 ] - [ 0.0000000000000000, 0.0000082700000000, 0.0000000000000000 ] - [ 0.0000773700000000, 0.0000078200000000, 0.0000065200000000 ] - [ -0.0000773700000000, 0.0000078200000000, -0.0000065200000000 ] - [ 0.0000000000000000, 0.0005299200000000, 0.0000000000000000 ] - [ -0.0000000600000000, 0.0002060400000000, 0.0000001200000000 ] - [ 0.0000000600000000, 0.0002060400000000, -0.0000001200000000 ] - [ 0.0000000000000000, 0.0000090800000000, 0.0000000000000000 ] - [ -0.0000785200000000, 0.0000072000000000, -0.0000062900000000 ] - [ 0.0000785200000000, 0.0000072000000000, 0.0000062900000000 ] - [ 0.0014654500000000, -0.0007134300000000, 0.0030670600000000 ] - [ -0.0001586500000000, -0.0003199500000000, 0.0000651800000000 ] - [ 0.0001561600000000, -0.0001889900000000, 0.0002024200000000 ] - [ -0.0014677600000000, -0.0007200400000000, -0.0030749900000000 ] - [ 0.0001578200000000, -0.0003192700000000, -0.0000646800000000 ] - [ -0.0001556800000000, -0.0001899600000000, -0.0002020000000000 ] - [ 0.0000210800000000, 0.0008866000000000, -0.0003428600000000 ] - [ 0.0001276800000000, 0.0003190800000000, -0.0000774100000000 ] - [ -0.0000780300000000, 0.0001892800000000, -0.0000661700000000 ] - [ -0.0000202100000000, 0.0008859800000000, 0.0003403600000000 ] - [ -0.0001277800000000, 0.0003194100000000, 0.0000773500000000 ] - [ 0.0000784300000000, 0.0001891800000000, 0.0000657000000000 ] - [ -0.0014654500000000, -0.0007134300000000, -0.0030670600000000 ] - [ -0.0001561600000000, -0.0001889900000000, -0.0002024200000000 ] - [ 0.0001586500000000, -0.0003199500000000, -0.0000651800000000 ] - [ 0.0014677600000000, -0.0007200400000000, 0.0030749900000000 ] - [ 0.0001556800000000, -0.0001899600000000, 0.0002020000000000 ] - [ -0.0001578200000000, -0.0003192700000000, 0.0000646800000000 ] - [ -0.0000210800000000, 0.0008866000000000, 0.0003428600000000 ] - [ 0.0000780300000000, 0.0001892800000000, 0.0000661700000000 ] - [ -0.0001276800000000, 0.0003190800000000, 0.0000774100000000 ] - [ 0.0000202100000000, 0.0008859800000000, -0.0003403600000000 ] - [ -0.0000784300000000, 0.0001891800000000, -0.0000657000000000 ] - [ 0.0001277800000000, 0.0003194100000000, -0.0000773500000000 ] - [ 0.0003134500000000, 0.0001198600000000, 0.0000713500000000 ] - [ 0.0000096000000000, 0.0001198500000000, -0.0000342800000000 ] - [ 0.0069764000000000, 0.0077203500000000, -0.0044072400000000 ] - [ -0.0002364400000000, 0.0001201500000000, -0.0001491100000000 ] - [ 0.0000673400000000, 0.0001199200000000, -0.0000435200000000 ] - [ -0.0070938300000000, 0.0079051700000000, 0.0045019900000000 ] - [ -0.0000612000000000, -0.0001185100000000, -0.0000653900000000 ] - [ 0.0000789300000000, -0.0001187300000000, -0.0000271100000000 ] - [ 0.0001369700000000, -0.0009242000000000, -0.0002947100000000 ] - [ 0.0001379000000000, -0.0001187800000000, -0.0000117600000000 ] - [ -0.0000017600000000, -0.0001192200000000, -0.0000502600000000 ] - [ -0.0000587200000000, -0.0009216900000000, 0.0002155300000000 ] - [ 0.0000945800000000, 0.0000765000000000, -0.0000698600000000 ] - [ 0.0000199200000000, 0.0000664200000000, -0.0000738200000000 ] - [ -0.0000814000000000, 0.0002148300000000, -0.0003346900000000 ] - [ -0.0000177200000000, 0.0000769500000000, -0.0000075700000000 ] - [ 0.0000570200000000, 0.0000668100000000, -0.0000034000000000 ] - [ 0.0001590100000000, 0.0002155600000000, 0.0002571100000000 ] - [ -0.0000075900000000, -0.0000754600000000, -0.0000017100000000 ] - [ 0.0000508000000000, -0.0000655000000000, -0.0000207700000000 ] - [ 0.0000580700000000, -0.0002149900000000, 0.0000896500000000 ] - [ 0.0000849900000000, -0.0000757700000000, -0.0000758400000000 ] - [ 0.0000265000000000, -0.0000660400000000, -0.0000566900000000 ] - [ 0.0000188300000000, -0.0002153000000000, -0.0001662500000000 ] - [ -0.0000264500000000, 0.0003684700000000, -0.0000477000000000 ] - [ -0.0000256900000000, 0.0001907500000000, -0.0000476600000000 ] - [ -0.0000050200000000, 0.0019209600000000, -0.0000192500000000 ] - [ -0.0002471300000000, -0.0000786600000000, 0.0000359900000000 ] - [ 0.0000261400000000, -0.0000336200000000, 0.0000036500000000 ] - [ 0.0001721400000000, -0.0006306400000000, 0.0006612400000000 ] - [ -0.0000257000000000, -0.0001915000000000, -0.0000481700000000 ] - [ -0.0000255800000000, -0.0001236400000000, -0.0000480100000000 ] - [ -0.0000257500000000, -0.0004857900000000, -0.0000477300000000 ] - [ 0.0001961100000000, -0.0000794000000000, -0.0001323800000000 ] - [ -0.0000775100000000, -0.0000339100000000, -0.0000995800000000 ] - [ -0.0002236200000000, -0.0006283000000000, -0.0007525000000000 ] - [ -0.0000255200000000, 0.0001589200000000, -0.0000482500000000 ] - [ -0.0000258000000000, 0.0001137200000000, -0.0000483500000000 ] - [ -0.0000266300000000, 0.0009266500000000, -0.0000483600000000 ] - [ -0.0000959000000000, -0.0000168400000000, -0.0000849600000000 ] - [ 0.0000251900000000, 0.0000097200000000, -0.0000868300000000 ] - [ -0.0000480200000000, -0.0002817200000000, -0.0004408400000000 ] - [ -0.0000258400000000, -0.0001229200000000, -0.0000480600000000 ] - [ -0.0000254900000000, -0.0001320400000000, -0.0000479700000000 ] - [ -0.0000256200000000, -0.0004076400000000, -0.0000483500000000 ] - [ 0.0000441100000000, -0.0000173000000000, -0.0000112300000000 ] - [ -0.0000763900000000, 0.0000092100000000, -0.0000090500000000 ] - [ -0.0000029500000000, -0.0002833500000000, 0.0003452000000000 ] - [ 0.0000050200000000, 0.0019209600000000, 0.0000192500000000 ] - [ 0.0000256900000000, 0.0001907500000000, 0.0000476600000000 ] - [ 0.0000264500000000, 0.0003684700000000, 0.0000477000000000 ] - [ -0.0001721400000000, -0.0006306400000000, -0.0006612400000000 ] - [ -0.0000261400000000, -0.0000336200000000, -0.0000036500000000 ] - [ 0.0002471300000000, -0.0000786600000000, -0.0000359900000000 ] - [ 0.0000257500000000, -0.0004857900000000, 0.0000477300000000 ] - [ 0.0000255800000000, -0.0001236400000000, 0.0000480100000000 ] - [ 0.0000257000000000, -0.0001915000000000, 0.0000481700000000 ] - [ 0.0002236200000000, -0.0006283000000000, 0.0007525000000000 ] - [ 0.0000775100000000, -0.0000339100000000, 0.0000995800000000 ] - [ -0.0001961100000000, -0.0000794000000000, 0.0001323800000000 ] - [ 0.0000266300000000, 0.0009266500000000, 0.0000483600000000 ] - [ 0.0000258000000000, 0.0001137200000000, 0.0000483500000000 ] - [ 0.0000255200000000, 0.0001589200000000, 0.0000482500000000 ] - [ 0.0000480200000000, -0.0002817200000000, 0.0004408400000000 ] - [ -0.0000251900000000, 0.0000097200000000, 0.0000868300000000 ] - [ 0.0000959000000000, -0.0000168400000000, 0.0000849600000000 ] - [ 0.0000256200000000, -0.0004076400000000, 0.0000483500000000 ] - [ 0.0000254900000000, -0.0001320400000000, 0.0000479700000000 ] - [ 0.0000258400000000, -0.0001229200000000, 0.0000480600000000 ] - [ 0.0000029500000000, -0.0002833500000000, -0.0003452000000000 ] - [ 0.0000763900000000, 0.0000092100000000, 0.0000090500000000 ] - [ -0.0000441100000000, -0.0000173000000000, 0.0000112300000000 ] - [ -0.0069764000000000, 0.0077203500000000, 0.0044072400000000 ] - [ -0.0000096000000000, 0.0001198500000000, 0.0000342800000000 ] - [ -0.0003134500000000, 0.0001198600000000, -0.0000713500000000 ] - [ 0.0070938300000000, 0.0079051700000000, -0.0045019900000000 ] - [ -0.0000673400000000, 0.0001199200000000, 0.0000435200000000 ] - [ 0.0002364400000000, 0.0001201500000000, 0.0001491100000000 ] - [ -0.0001369700000000, -0.0009242000000000, 0.0002947100000000 ] - [ -0.0000789300000000, -0.0001187300000000, 0.0000271100000000 ] - [ 0.0000612000000000, -0.0001185100000000, 0.0000653900000000 ] - [ 0.0000587200000000, -0.0009216900000000, -0.0002155300000000 ] - [ 0.0000017600000000, -0.0001192200000000, 0.0000502600000000 ] - [ -0.0001379000000000, -0.0001187800000000, 0.0000117600000000 ] - [ 0.0000814000000000, 0.0002148300000000, 0.0003346900000000 ] - [ -0.0000199200000000, 0.0000664200000000, 0.0000738200000000 ] - [ -0.0000945800000000, 0.0000765000000000, 0.0000698600000000 ] - [ -0.0001590100000000, 0.0002155600000000, -0.0002571100000000 ] - [ -0.0000570200000000, 0.0000668100000000, 0.0000034000000000 ] - [ 0.0000177200000000, 0.0000769500000000, 0.0000075700000000 ] - [ -0.0000580700000000, -0.0002149900000000, -0.0000896500000000 ] - [ -0.0000508000000000, -0.0000655000000000, 0.0000207700000000 ] - [ 0.0000075900000000, -0.0000754600000000, 0.0000017100000000 ] - [ -0.0000188300000000, -0.0002153000000000, 0.0001662500000000 ] - [ -0.0000265000000000, -0.0000660400000000, 0.0000566900000000 ] - [ -0.0000849900000000, -0.0000757700000000, 0.0000758400000000 ]- atom: 1 displacement: [ -0.0001134853443869, 0.0000000000000000, 0.0099993560330958 ] forces: - [ 0.0040426400000000, 0.0000000000000000, -0.0440809100000000 ] - [ -0.0000483100000000, 0.0000000000000000, -0.0006713800000000 ] - [ -0.0000481900000000, 0.0000000000000000, -0.0006704000000000 ] - [ 0.0016983000000000, -0.0000093100000000, -0.0033022400000000 ] - [ -0.0000550200000000, 0.0000537300000000, -0.0004228100000000 ] - [ -0.0000559100000000, -0.0000538600000000, -0.0004224600000000 ] - [ 0.0002107200000000, 0.0000000000000000, -0.0006068400000000 ] - [ 0.0000129800000000, 0.0000000000000000, -0.0001852100000000 ] - [ 0.0000120100000000, 0.0000000000000000, -0.0001842900000000 ] - [ 0.0016983000000000, 0.0000093100000000, -0.0033022400000000 ] - [ -0.0000550200000000, -0.0000537300000000, -0.0004228100000000 ] - [ -0.0000559100000000, 0.0000538600000000, -0.0004224600000000 ] - [ -0.0000572800000000, 0.0000000000000000, 0.0023523700000000 ] - [ 0.0000441100000000, 0.0000000000000000, 0.0005617600000000 ] - [ 0.0000423300000000, 0.0000000000000000, 0.0005623300000000 ] - [ -0.0001797600000000, 0.0000001800000000, 0.0011752300000000 ] - [ -0.0000189500000000, 0.0000054600000000, 0.0003066700000000 ] - [ -0.0000208200000000, -0.0000059400000000, 0.0003064000000000 ] - [ -0.0000603800000000, 0.0000000000000000, 0.0004375700000000 ] - [ -0.0000332100000000, 0.0000000000000000, 0.0001790000000000 ] - [ -0.0000345600000000, 0.0000000000000000, 0.0001796500000000 ] - [ -0.0001797600000000, -0.0000001800000000, 0.0011752300000000 ] - [ -0.0000189500000000, -0.0000054600000000, 0.0003066700000000 ] - [ -0.0000208200000000, 0.0000059400000000, 0.0003064000000000 ] - [ -0.0007344600000000, 0.0032246000000000, 0.0034109600000000 ] - [ -0.0002854600000000, 0.0001390800000000, 0.0001448800000000 ] - [ 0.0002634800000000, 0.0001996400000000, -0.0000362800000000 ] - [ -0.0007344600000000, -0.0032246000000000, 0.0034109600000000 ] - [ -0.0002854600000000, -0.0001390800000000, 0.0001448800000000 ] - [ 0.0002634800000000, -0.0001996400000000, -0.0000362800000000 ] - [ -0.0000571700000000, -0.0004691600000000, 0.0001310600000000 ] - [ -0.0001195100000000, -0.0001413700000000, 0.0000525600000000 ] - [ 0.0000598600000000, -0.0000823200000000, -0.0000165800000000 ] - [ -0.0000571700000000, 0.0004691600000000, 0.0001310600000000 ] - [ -0.0001195100000000, 0.0001413700000000, 0.0000525600000000 ] - [ 0.0000598600000000, 0.0000823200000000, -0.0000165800000000 ] - [ -0.0007391400000000, -0.0032482100000000, 0.0034326100000000 ] - [ 0.0002641900000000, -0.0001997700000000, -0.0000369000000000 ] - [ -0.0002854100000000, -0.0001393000000000, 0.0001442700000000 ] - [ -0.0007391400000000, 0.0032482100000000, 0.0034326100000000 ] - [ 0.0002641900000000, 0.0001997700000000, -0.0000369000000000 ] - [ -0.0002854100000000, 0.0001393000000000, 0.0001442700000000 ] - [ -0.0000574200000000, 0.0004700500000000, 0.0001306100000000 ] - [ 0.0000605100000000, 0.0000829100000000, -0.0000169800000000 ] - [ -0.0001197200000000, 0.0001410600000000, 0.0000521600000000 ] - [ -0.0000574200000000, -0.0004700500000000, 0.0001306100000000 ] - [ 0.0000605100000000, -0.0000829100000000, -0.0000169800000000 ] - [ -0.0001197200000000, -0.0001410600000000, 0.0000521600000000 ] - [ -0.0001036100000000, 0.0000441900000000, 0.0002253100000000 ] - [ 0.0000831700000000, 0.0000165600000000, 0.0001100400000000 ] - [ -0.0046639100000000, -0.0042247300000000, 0.0047052700000000 ] - [ -0.0001036100000000, -0.0000441900000000, 0.0002253100000000 ] - [ 0.0000831700000000, -0.0000165600000000, 0.0001100400000000 ] - [ -0.0046639100000000, 0.0042247300000000, 0.0047052700000000 ] - [ 0.0000110300000000, -0.0000115200000000, 0.0000480500000000 ] - [ 0.0000523400000000, -0.0000054300000000, 0.0000558100000000 ] - [ -0.0000995900000000, -0.0000761500000000, 0.0002719300000000 ] - [ 0.0000110300000000, 0.0000115200000000, 0.0000480500000000 ] - [ 0.0000523400000000, 0.0000054300000000, 0.0000558100000000 ] - [ -0.0000995900000000, 0.0000761500000000, 0.0002719300000000 ] - [ 0.0001094800000000, -0.0000043200000000, -0.0002305200000000 ] - [ -0.0000051800000000, -0.0000433900000000, -0.0001643400000000 ] - [ 0.0000455300000000, -0.0002315600000000, -0.0011436100000000 ] - [ 0.0001094800000000, 0.0000043200000000, -0.0002305200000000 ] - [ -0.0000051800000000, 0.0000433900000000, -0.0001643400000000 ] - [ 0.0000455300000000, 0.0002315600000000, -0.0011436100000000 ] - [ 0.0000723900000000, 0.0000111400000000, -0.0001313000000000 ] - [ 0.0000384000000000, 0.0000117100000000, -0.0001112500000000 ] - [ 0.0000344200000000, 0.0000365500000000, -0.0002934600000000 ] - [ 0.0000723900000000, -0.0000111400000000, -0.0001313000000000 ] - [ 0.0000384000000000, -0.0000117100000000, -0.0001112500000000 ] - [ 0.0000344200000000, -0.0000365500000000, -0.0002934600000000 ] - [ 0.0002794600000000, 0.0000000000000000, -0.0000207800000000 ] - [ -0.0000736800000000, 0.0000000000000000, 0.0000672200000000 ] - [ 0.0073112300000000, 0.0000000000000000, 0.0104667500000000 ] - [ 0.0001456600000000, 0.0001147900000000, -0.0000252400000000 ] - [ -0.0000535300000000, 0.0000589100000000, 0.0000072300000000 ] - [ -0.0001427000000000, 0.0008902400000000, 0.0001492000000000 ] - [ 0.0000042600000000, 0.0000000000000000, -0.0000103900000000 ] - [ -0.0000321500000000, 0.0000000000000000, -0.0000177400000000 ] - [ -0.0000399400000000, 0.0000000000000000, 0.0000458800000000 ] - [ 0.0001456600000000, -0.0001147900000000, -0.0000252400000000 ] - [ -0.0000535300000000, -0.0000589100000000, 0.0000072300000000 ] - [ -0.0001427000000000, -0.0008902400000000, 0.0001492000000000 ] - [ -0.0003072700000000, 0.0000000000000000, -0.0001758600000000 ] - [ 0.0000373600000000, 0.0000000000000000, -0.0002137100000000 ] - [ 0.0003326600000000, 0.0000000000000000, -0.0013471200000000 ] - [ -0.0001008600000000, -0.0000759800000000, -0.0001088500000000 ] - [ 0.0000243400000000, -0.0000353500000000, -0.0001371200000000 ] - [ 0.0000537900000000, -0.0005769400000000, -0.0005900400000000 ] - [ -0.0000460600000000, 0.0000000000000000, -0.0000839400000000 ] - [ 0.0000018400000000, 0.0000000000000000, -0.0000887100000000 ] - [ -0.0000141600000000, 0.0000000000000000, -0.0001635700000000 ] - [ -0.0001008600000000, 0.0000759800000000, -0.0001088500000000 ] - [ 0.0000243400000000, 0.0000353500000000, -0.0001371200000000 ] - [ 0.0000537900000000, 0.0005769400000000, -0.0005900400000000 ] - [ 0.0076269400000000, 0.0000000000000000, 0.0109814100000000 ] - [ -0.0000250300000000, 0.0000000000000000, 0.0001647800000000 ] - [ 0.0003272400000000, 0.0000000000000000, 0.0000769000000000 ] - [ -0.0000933700000000, -0.0008927600000000, 0.0002475900000000 ] - [ -0.0000044900000000, -0.0000588900000000, 0.0001046100000000 ] - [ 0.0001934200000000, -0.0001149500000000, 0.0000717500000000 ] - [ 0.0000082000000000, 0.0000000000000000, 0.0001435700000000 ] - [ 0.0000164500000000, 0.0000000000000000, 0.0000794800000000 ] - [ 0.0000527300000000, 0.0000000000000000, 0.0000862400000000 ] - [ -0.0000933700000000, 0.0008927600000000, 0.0002475900000000 ] - [ -0.0000044900000000, 0.0000588900000000, 0.0001046100000000 ] - [ 0.0001934200000000, 0.0001149500000000, 0.0000717500000000 ] - [ 0.0003794700000000, 0.0000000000000000, -0.0012467400000000 ] - [ 0.0000871800000000, 0.0000000000000000, -0.0001169000000000 ] - [ -0.0002582800000000, 0.0000000000000000, -0.0000789300000000 ] - [ 0.0001010800000000, 0.0005748900000000, -0.0004920000000000 ] - [ 0.0000738100000000, 0.0000349000000000, -0.0000401500000000 ] - [ -0.0000526700000000, 0.0000759000000000, -0.0000116400000000 ] - [ 0.0000345200000000, 0.0000000000000000, -0.0000662100000000 ] - [ 0.0000506400000000, 0.0000000000000000, 0.0000081700000000 ] - [ 0.0000016100000000, 0.0000000000000000, 0.0000129100000000 ] - [ 0.0001010800000000, -0.0005748900000000, -0.0004920000000000 ] - [ 0.0000738100000000, -0.0000349000000000, -0.0000401500000000 ] - [ -0.0000526700000000, -0.0000759000000000, -0.0000116400000000 ] - [ -0.0046745300000000, 0.0041354800000000, 0.0047538100000000 ] - [ 0.0000085900000000, -0.0000164700000000, 0.0001892500000000 ] - [ -0.0001772800000000, -0.0000436900000000, 0.0003041900000000 ] - [ -0.0046745300000000, -0.0041354800000000, 0.0047538100000000 ] - [ 0.0000085900000000, 0.0000164700000000, 0.0001892500000000 ] - [ -0.0001772800000000, 0.0000436900000000, 0.0003041900000000 ] - [ -0.0001739700000000, 0.0000769800000000, 0.0003506500000000 ] - [ -0.0000218300000000, 0.0000053600000000, 0.0001356300000000 ] - [ -0.0000642400000000, 0.0000113600000000, 0.0001273000000000 ] - [ -0.0001739700000000, -0.0000769800000000, 0.0003506500000000 ] - [ -0.0000218300000000, -0.0000053600000000, 0.0001356300000000 ] - [ -0.0000642400000000, -0.0000113600000000, 0.0001273000000000 ] - [ -0.0000293000000000, 0.0002330700000000, -0.0010656600000000 ] - [ -0.0000788300000000, 0.0000434400000000, -0.0000847400000000 ] - [ 0.0000350400000000, 0.0000045800000000, -0.0001512100000000 ] - [ -0.0000293000000000, -0.0002330700000000, -0.0010656600000000 ] - [ -0.0000788300000000, -0.0000434400000000, -0.0000847400000000 ] - [ 0.0000350400000000, -0.0000045800000000, -0.0001512100000000 ] - [ -0.0000400600000000, -0.0000370800000000, -0.0002141100000000 ] - [ -0.0000362600000000, -0.0000118200000000, -0.0000319800000000 ] - [ -0.0000028900000000, -0.0000110100000000, -0.0000517400000000 ] - [ -0.0000400600000000, 0.0000370800000000, -0.0002141100000000 ] - [ -0.0000362600000000, 0.0000118200000000, -0.0000319800000000 ] - [ -0.0000028900000000, 0.0000110100000000, -0.0000517400000000 ]- atom: 25 displacement: [ 0.0099999724726832, 0.0000000000000000, -0.0000234637076704 ] forces: - [ -0.0025731500000000, 0.0014584800000000, -0.0007761200000000 ] - [ 0.0003110000000000, 0.0001552400000000, 0.0002682000000000 ] - [ 0.0003045500000000, -0.0001579600000000, -0.0002809700000000 ] - [ -0.0002699000000000, -0.0000208000000000, -0.0000604200000000 ] - [ 0.0000615500000000, 0.0000787100000000, 0.0000610300000000 ] - [ 0.0001254200000000, -0.0001271200000000, -0.0001175600000000 ] - [ -0.0002699000000000, 0.0000208000000000, -0.0000604200000000 ] - [ 0.0000615500000000, -0.0000787100000000, 0.0000610300000000 ] - [ 0.0001254200000000, 0.0001271200000000, -0.0001175600000000 ] - [ -0.0025731500000000, -0.0014584800000000, -0.0007761200000000 ] - [ 0.0003110000000000, -0.0001552400000000, 0.0002682000000000 ] - [ 0.0003045500000000, 0.0001579600000000, -0.0002809700000000 ] - [ -0.0025739500000000, -0.0014614300000000, -0.0007709800000000 ] - [ 0.0003054500000000, 0.0001593500000000, -0.0002837000000000 ] - [ 0.0003124600000000, -0.0001559300000000, 0.0002660700000000 ] - [ -0.0002693700000000, 0.0000218000000000, -0.0000605700000000 ] - [ 0.0001250800000000, 0.0001274900000000, -0.0001188100000000 ] - [ 0.0000611000000000, -0.0000774800000000, 0.0000610300000000 ] - [ -0.0002693700000000, -0.0000218000000000, -0.0000605700000000 ] - [ 0.0001250800000000, -0.0001274900000000, -0.0001188100000000 ] - [ 0.0000611000000000, 0.0000774800000000, 0.0000610300000000 ] - [ -0.0025739500000000, 0.0014614300000000, -0.0007709800000000 ] - [ 0.0003054500000000, -0.0001593500000000, -0.0002837000000000 ] - [ 0.0003124600000000, 0.0001559300000000, 0.0002660700000000 ] - [ -0.0333081000000000, 0.0000000000000000, -0.0035643700000000 ] - [ 0.0005751100000000, 0.0000000000000000, 0.0000330300000000 ] - [ 0.0005742500000000, 0.0000000000000000, 0.0000333500000000 ] - [ -0.0028846800000000, -0.0000010000000000, 0.0018439500000000 ] - [ 0.0002873600000000, 0.0003167600000000, -0.0000043800000000 ] - [ 0.0002888400000000, -0.0003156800000000, -0.0000029500000000 ] - [ -0.0004322400000000, 0.0000000000000000, 0.0002173000000000 ] - [ 0.0000824100000000, 0.0000000000000000, 0.0000084500000000 ] - [ 0.0000828400000000, 0.0000000000000000, 0.0000086100000000 ] - [ -0.0028846800000000, 0.0000010000000000, 0.0018439500000000 ] - [ 0.0002873600000000, -0.0003167600000000, -0.0000043800000000 ] - [ 0.0002888400000000, 0.0003156800000000, -0.0000029500000000 ] - [ -0.0003321300000000, 0.0000000000000000, 0.0000831500000000 ] - [ 0.0001415900000000, 0.0000000000000000, 0.0001167000000000 ] - [ 0.0001437700000000, 0.0000000000000000, 0.0001179600000000 ] - [ -0.0002447700000000, 0.0000007500000000, -0.0000269400000000 ] - [ 0.0000635600000000, 0.0000710000000000, 0.0000055800000000 ] - [ 0.0000634800000000, -0.0000704900000000, 0.0000062300000000 ] - [ -0.0000912100000000, 0.0000000000000000, 0.0000042900000000 ] - [ 0.0000392000000000, 0.0000000000000000, -0.0000153600000000 ] - [ 0.0000389300000000, 0.0000000000000000, -0.0000176400000000 ] - [ -0.0002447700000000, -0.0000007500000000, -0.0000269400000000 ] - [ 0.0000635600000000, -0.0000710000000000, 0.0000055800000000 ] - [ 0.0000634800000000, 0.0000704900000000, 0.0000062300000000 ] - [ -0.0001229400000000, 0.0000000000000000, -0.0001676500000000 ] - [ -0.0000745300000000, 0.0000000000000000, 0.0000205000000000 ] - [ 0.0004070900000000, 0.0000000000000000, 0.0000251800000000 ] - [ 0.0000153400000000, -0.0000667300000000, -0.0000868000000000 ] - [ -0.0000480100000000, 0.0000564500000000, 0.0000191500000000 ] - [ 0.0002752700000000, -0.0001121000000000, -0.0000260400000000 ] - [ 0.0000376700000000, 0.0000000000000000, -0.0000556500000000 ] - [ -0.0000239300000000, 0.0000000000000000, 0.0000055200000000 ] - [ 0.0001030400000000, 0.0000000000000000, -0.0000458100000000 ] - [ 0.0000153400000000, 0.0000667300000000, -0.0000868000000000 ] - [ -0.0000480100000000, -0.0000564500000000, 0.0000191500000000 ] - [ 0.0002752700000000, 0.0001121000000000, -0.0000260400000000 ] - [ -0.0002721400000000, 0.0000000000000000, 0.0001006100000000 ] - [ -0.0001379800000000, 0.0000000000000000, -0.0001266300000000 ] - [ 0.0083749500000000, 0.0000000000000000, 0.0060579500000000 ] - [ -0.0000976000000000, -0.0000857400000000, 0.0000202400000000 ] - [ -0.0000864900000000, 0.0000909500000000, -0.0000978200000000 ] - [ 0.0006061100000000, 0.0000753100000000, -0.0000921200000000 ] - [ 0.0000223800000000, 0.0000000000000000, -0.0000356100000000 ] - [ -0.0000214900000000, 0.0000000000000000, -0.0000567200000000 ] - [ 0.0001422800000000, 0.0000000000000000, -0.0000541600000000 ] - [ -0.0000976000000000, 0.0000857400000000, 0.0000202400000000 ] - [ -0.0000864900000000, -0.0000909500000000, -0.0000978200000000 ] - [ 0.0006061100000000, -0.0000753100000000, -0.0000921200000000 ] - [ -0.0002843100000000, -0.0001538900000000, -0.0000876700000000 ] - [ -0.0001939100000000, 0.0000688900000000, -0.0000020700000000 ] - [ 0.0070213600000000, -0.0044508100000000, -0.0023053800000000 ] - [ -0.0000478800000000, -0.0000802100000000, -0.0000857200000000 ] - [ -0.0001022500000000, 0.0000712300000000, -0.0000401500000000 ] - [ 0.0002217800000000, 0.0001896900000000, -0.0001161700000000 ] - [ -0.0000478800000000, 0.0000802100000000, -0.0000857200000000 ] - [ -0.0001022500000000, -0.0000712300000000, -0.0000401500000000 ] - [ 0.0002217800000000, -0.0001896900000000, -0.0001161700000000 ] - [ -0.0002843100000000, 0.0001538900000000, -0.0000876700000000 ] - [ -0.0001939100000000, -0.0000688900000000, -0.0000020700000000 ] - [ 0.0070213600000000, 0.0044508100000000, -0.0023053800000000 ] - [ -0.0000423300000000, -0.0000368200000000, -0.0000054800000000 ] - [ -0.0001105700000000, 0.0000452800000000, -0.0001084700000000 ] - [ 0.0001989700000000, 0.0000884900000000, -0.0000265800000000 ] - [ -0.0000298300000000, -0.0000244000000000, -0.0000268600000000 ] - [ -0.0000659300000000, 0.0000223400000000, -0.0000529000000000 ] - [ 0.0000310800000000, 0.0000077900000000, -0.0000440900000000 ] - [ -0.0000298300000000, 0.0000244000000000, -0.0000268600000000 ] - [ -0.0000659300000000, -0.0000223400000000, -0.0000529000000000 ] - [ 0.0000310800000000, -0.0000077900000000, -0.0000440900000000 ] - [ -0.0000423300000000, 0.0000368200000000, -0.0000054800000000 ] - [ -0.0001105700000000, -0.0000452800000000, -0.0001084700000000 ] - [ 0.0001989700000000, -0.0000884900000000, -0.0000265800000000 ] - [ 0.0002486300000000, -0.0000883200000000, 0.0000711700000000 ] - [ -0.0000607400000000, -0.0000451100000000, -0.0000110400000000 ] - [ 0.0000080700000000, 0.0000368100000000, 0.0000919000000000 ] - [ 0.0000807400000000, -0.0000073100000000, 0.0000539800000000 ] - [ -0.0000166500000000, -0.0000220100000000, 0.0000446600000000 ] - [ 0.0000206400000000, 0.0000247600000000, 0.0000707200000000 ] - [ 0.0000807400000000, 0.0000073100000000, 0.0000539800000000 ] - [ -0.0000166500000000, 0.0000220100000000, 0.0000446600000000 ] - [ 0.0000206400000000, -0.0000247600000000, 0.0000707200000000 ] - [ 0.0002486300000000, 0.0000883200000000, 0.0000711700000000 ] - [ -0.0000607400000000, 0.0000451100000000, -0.0000110400000000 ] - [ 0.0000080700000000, -0.0000368100000000, 0.0000919000000000 ] - [ 0.0071389900000000, 0.0046081500000000, -0.0022846200000000 ] - [ -0.0001442800000000, -0.0000693200000000, 0.0000957600000000 ] - [ -0.0002329600000000, 0.0001533900000000, 0.0000097300000000 ] - [ 0.0002717000000000, -0.0001892900000000, -0.0000183000000000 ] - [ -0.0000536500000000, -0.0000714000000000, 0.0000576500000000 ] - [ 0.0000032900000000, 0.0000800100000000, 0.0000114700000000 ] - [ 0.0002717000000000, 0.0001892900000000, -0.0000183000000000 ] - [ -0.0000536500000000, 0.0000714000000000, 0.0000576500000000 ] - [ 0.0000032900000000, -0.0000800100000000, 0.0000114700000000 ] - [ 0.0071389900000000, -0.0046081500000000, -0.0022846200000000 ] - [ -0.0001442800000000, 0.0000693200000000, 0.0000957600000000 ] - [ -0.0002329600000000, -0.0001533900000000, 0.0000097300000000 ] - [ 0.0083912600000000, 0.0000000000000000, 0.0063446700000000 ] - [ -0.0002151600000000, 0.0000000000000000, -0.0000480800000000 ] - [ -0.0003469900000000, 0.0000000000000000, 0.0001783300000000 ] - [ 0.0005292100000000, -0.0000766300000000, -0.0000145900000000 ] - [ -0.0001636200000000, -0.0000913700000000, -0.0000193600000000 ] - [ -0.0001749100000000, 0.0000855500000000, 0.0000989700000000 ] - [ 0.0000657200000000, 0.0000000000000000, 0.0000241700000000 ] - [ -0.0000988700000000, 0.0000000000000000, 0.0000218600000000 ] - [ -0.0000539200000000, 0.0000000000000000, 0.0000432700000000 ] - [ 0.0005292100000000, 0.0000766300000000, -0.0000145900000000 ] - [ -0.0001636200000000, 0.0000913700000000, -0.0000193600000000 ] - [ -0.0001749100000000, -0.0000855500000000, 0.0000989700000000 ] - [ 0.0003306700000000, 0.0000000000000000, 0.0001048500000000 ] - [ -0.0001514100000000, 0.0000000000000000, 0.0000997000000000 ] - [ -0.0001998200000000, 0.0000000000000000, -0.0000888700000000 ] - [ 0.0001984900000000, 0.0001118300000000, 0.0000525900000000 ] - [ -0.0001248300000000, -0.0000565700000000, 0.0000977400000000 ] - [ -0.0000610800000000, 0.0000666800000000, -0.0000078700000000 ] - [ 0.0000262900000000, 0.0000000000000000, 0.0000324700000000 ] - [ -0.0001013200000000, 0.0000000000000000, 0.0000833800000000 ] - [ -0.0000390000000000, 0.0000000000000000, 0.0000226200000000 ] - [ 0.0001984900000000, -0.0001118300000000, 0.0000525900000000 ] - [ -0.0001248300000000, 0.0000565700000000, 0.0000977400000000 ] - [ -0.0000610800000000, -0.0000666800000000, -0.0000078700000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0012888800000000, -0.0007206100000000, 0.0032546100000000 ] - [ 0.0001279100000000, -0.0001910600000000, 0.0002020100000000 ] - [ -0.0002153700000000, -0.0003195700000000, 0.0001356300000000 ] - [ -0.0000491300000000, 0.0008853300000000, 0.0004693200000000 ] - [ 0.0000897000000000, 0.0001883900000000, 0.0000837900000000 ] - [ -0.0001455600000000, 0.0003178300000000, 0.0001391900000000 ] - [ 0.0000483100000000, 0.0008853600000000, -0.0004684500000000 ] - [ -0.0000891500000000, 0.0001881200000000, -0.0000832500000000 ] - [ 0.0001454100000000, 0.0003179900000000, -0.0001395100000000 ] - [ -0.0012839000000000, -0.0007147700000000, -0.0032463100000000 ] - [ -0.0001282300000000, -0.0001902100000000, -0.0002003000000000 ] - [ 0.0002147200000000, -0.0003214700000000, -0.0001362900000000 ] - [ -0.0012888800000000, -0.0007206100000000, -0.0032546100000000 ] - [ 0.0002153700000000, -0.0003195700000000, -0.0001356300000000 ] - [ -0.0001279100000000, -0.0001910600000000, -0.0002020100000000 ] - [ 0.0000491300000000, 0.0008853300000000, -0.0004693200000000 ] - [ 0.0001455600000000, 0.0003178300000000, -0.0001391900000000 ] - [ -0.0000897000000000, 0.0001883900000000, -0.0000837900000000 ] - [ -0.0000483100000000, 0.0008853600000000, 0.0004684500000000 ] - [ -0.0001454100000000, 0.0003179900000000, 0.0001395100000000 ] - [ 0.0000891500000000, 0.0001881200000000, 0.0000832500000000 ] - [ 0.0012839000000000, -0.0007147700000000, 0.0032463100000000 ] - [ -0.0002147200000000, -0.0003214700000000, 0.0001362900000000 ] - [ 0.0001282300000000, -0.0001902100000000, 0.0002003000000000 ] - [ 0.0000000000000000, -0.0375293000000000, 0.0000000000000000 ] - [ 0.0000002000000000, -0.0006154500000000, 0.0000002000000000 ] - [ -0.0000002000000000, -0.0006154500000000, -0.0000002000000000 ] - [ 0.0000000000000000, 0.0045206600000000, 0.0000000000000000 ] - [ 0.0003163400000000, 0.0001104300000000, 0.0001145100000000 ] - [ -0.0003163400000000, 0.0001104300000000, -0.0001145100000000 ] - [ 0.0000000000000000, 0.0013978400000000, 0.0000000000000000 ] - [ 0.0000000900000000, 0.0003887800000000, -0.0000001100000000 ] - [ -0.0000000900000000, 0.0003887800000000, 0.0000001100000000 ] - [ 0.0000000000000000, 0.0044945800000000, 0.0000000000000000 ] - [ -0.0003159200000000, 0.0001108300000000, -0.0001147400000000 ] - [ 0.0003159200000000, 0.0001108300000000, 0.0001147400000000 ] - [ 0.0000000000000000, -0.0006579600000000, 0.0000000000000000 ] - [ 0.0000004600000000, -0.0002380000000000, -0.0000004300000000 ] - [ -0.0000004600000000, -0.0002380000000000, 0.0000004300000000 ] - [ 0.0000000000000000, 0.0000830200000000, 0.0000000000000000 ] - [ 0.0000712400000000, 0.0000139600000000, 0.0000216800000000 ] - [ -0.0000712400000000, 0.0000139600000000, -0.0000216800000000 ] - [ 0.0000000000000000, 0.0004921600000000, 0.0000000000000000 ] - [ 0.0000000100000000, 0.0002067700000000, -0.0000001100000000 ] - [ -0.0000000100000000, 0.0002067700000000, 0.0000001100000000 ] - [ 0.0000000000000000, 0.0000839000000000, 0.0000000000000000 ] - [ -0.0000712900000000, 0.0000144800000000, -0.0000216500000000 ] - [ 0.0000712900000000, 0.0000144800000000, 0.0000216500000000 ] - [ 0.0000375000000000, 0.0001176300000000, -0.0000421000000000 ] - [ 0.0000368600000000, 0.0001311500000000, -0.0000425200000000 ] - [ 0.0000360900000000, 0.0006766800000000, -0.0000424700000000 ] - [ -0.0000471400000000, -0.0000093900000000, -0.0000869400000000 ] - [ 0.0000585000000000, 0.0000073700000000, -0.0000684100000000 ] - [ -0.0000026600000000, -0.0001604200000000, -0.0003487500000000 ] - [ 0.0000371500000000, -0.0001035900000000, -0.0000423700000000 ] - [ 0.0000373000000000, -0.0001518800000000, -0.0000422700000000 ] - [ 0.0000372500000000, -0.0003618900000000, -0.0000423200000000 ] - [ 0.0001205200000000, -0.0000096000000000, 0.0000019500000000 ] - [ 0.0000154200000000, 0.0000074600000000, -0.0000166000000000 ] - [ 0.0000762200000000, -0.0001611700000000, 0.0002641700000000 ] - [ 0.0000355800000000, 0.0002350400000000, -0.0000422200000000 ] - [ 0.0000369800000000, 0.0001793400000000, -0.0000423200000000 ] - [ 0.0000594600000000, 0.0024151800000000, -0.0000181000000000 ] - [ -0.0002823700000000, -0.0000437500000000, 0.0000335600000000 ] - [ 0.0000900400000000, -0.0000298000000000, 0.0000230300000000 ] - [ 0.0003386200000000, -0.0005326600000000, 0.0007649600000000 ] - [ 0.0000372500000000, -0.0001674300000000, -0.0000422100000000 ] - [ 0.0000372200000000, -0.0001203400000000, -0.0000421400000000 ] - [ 0.0000368600000000, -0.0004467200000000, -0.0000425100000000 ] - [ 0.0003567100000000, -0.0000436800000000, -0.0001184700000000 ] - [ -0.0000162700000000, -0.0000299200000000, -0.0001076300000000 ] - [ -0.0002636400000000, -0.0005314600000000, -0.0008466100000000 ] - [ -0.0002486300000000, 0.0001775800000000, -0.0001108100000000 ] - [ 0.0000216100000000, 0.0001458500000000, -0.0000669800000000 ] - [ -0.0063558400000000, 0.0073337200000000, 0.0022127200000000 ] - [ -0.0001146700000000, -0.0001723500000000, -0.0000646500000000 ] - [ 0.0000242200000000, -0.0001479300000000, -0.0000350200000000 ] - [ 0.0000180000000000, -0.0010082800000000, -0.0002030100000000 ] - [ 0.0000628000000000, -0.0001727700000000, -0.0000264400000000 ] - [ -0.0000750600000000, -0.0001483900000000, -0.0000559300000000 ] - [ -0.0000689000000000, -0.0010063500000000, 0.0001114800000000 ] - [ 0.0001959400000000, 0.0001770900000000, 0.0000191500000000 ] - [ -0.0000729200000000, 0.0001459000000000, -0.0000236400000000 ] - [ 0.0060913900000000, 0.0070764600000000, -0.0021598400000000 ] - [ -0.0000731000000000, 0.0000870500000000, -0.0000106700000000 ] - [ 0.0000000200000000, 0.0000688700000000, -0.0000043700000000 ] - [ 0.0000936000000000, 0.0002102400000000, 0.0003676900000000 ] - [ -0.0000579000000000, -0.0000876700000000, -0.0000111300000000 ] - [ -0.0000085400000000, -0.0000704100000000, -0.0000285200000000 ] - [ -0.0000074200000000, -0.0002199900000000, 0.0000381900000000 ] - [ 0.0000065000000000, -0.0000881600000000, -0.0000796300000000 ] - [ -0.0000427000000000, -0.0000708900000000, -0.0000622600000000 ] - [ -0.0000436000000000, -0.0002206400000000, -0.0001288200000000 ] - [ 0.0000212000000000, 0.0000870100000000, -0.0000798100000000 ] - [ -0.0000518600000000, 0.0000687600000000, -0.0000862400000000 ] - [ -0.0001446800000000, 0.0002095400000000, -0.0004576700000000 ] - [ -0.0000936000000000, 0.0002102400000000, -0.0003676900000000 ] - [ -0.0000000200000000, 0.0000688700000000, 0.0000043700000000 ] - [ 0.0000731000000000, 0.0000870500000000, 0.0000106700000000 ] - [ 0.0000074200000000, -0.0002199900000000, -0.0000381900000000 ] - [ 0.0000085400000000, -0.0000704100000000, 0.0000285200000000 ] - [ 0.0000579000000000, -0.0000876700000000, 0.0000111300000000 ] - [ 0.0000436000000000, -0.0002206400000000, 0.0001288200000000 ] - [ 0.0000427000000000, -0.0000708900000000, 0.0000622600000000 ] - [ -0.0000065000000000, -0.0000881600000000, 0.0000796300000000 ] - [ 0.0001446800000000, 0.0002095400000000, 0.0004576700000000 ] - [ 0.0000518600000000, 0.0000687600000000, 0.0000862400000000 ] - [ -0.0000212000000000, 0.0000870100000000, 0.0000798100000000 ] - [ 0.0063558400000000, 0.0073337200000000, -0.0022127200000000 ] - [ -0.0000216100000000, 0.0001458500000000, 0.0000669800000000 ] - [ 0.0002486300000000, 0.0001775800000000, 0.0001108100000000 ] - [ -0.0000180000000000, -0.0010082800000000, 0.0002030100000000 ] - [ -0.0000242200000000, -0.0001479300000000, 0.0000350200000000 ] - [ 0.0001146700000000, -0.0001723500000000, 0.0000646500000000 ] - [ 0.0000689000000000, -0.0010063500000000, -0.0001114800000000 ] - [ 0.0000750600000000, -0.0001483900000000, 0.0000559300000000 ] - [ -0.0000628000000000, -0.0001727700000000, 0.0000264400000000 ] - [ -0.0060913900000000, 0.0070764600000000, 0.0021598400000000 ] - [ 0.0000729200000000, 0.0001459000000000, 0.0000236400000000 ] - [ -0.0001959400000000, 0.0001770900000000, -0.0000191500000000 ] - [ -0.0000594600000000, 0.0024151800000000, 0.0000181000000000 ] - [ -0.0000369800000000, 0.0001793400000000, 0.0000423200000000 ] - [ -0.0000355800000000, 0.0002350400000000, 0.0000422200000000 ] - [ -0.0003386200000000, -0.0005326600000000, -0.0007649600000000 ] - [ -0.0000900400000000, -0.0000298000000000, -0.0000230300000000 ] - [ 0.0002823700000000, -0.0000437500000000, -0.0000335600000000 ] - [ -0.0000368600000000, -0.0004467200000000, 0.0000425100000000 ] - [ -0.0000372200000000, -0.0001203400000000, 0.0000421400000000 ] - [ -0.0000372500000000, -0.0001674300000000, 0.0000422100000000 ] - [ 0.0002636400000000, -0.0005314600000000, 0.0008466100000000 ] - [ 0.0000162700000000, -0.0000299200000000, 0.0001076300000000 ] - [ -0.0003567100000000, -0.0000436800000000, 0.0001184700000000 ] - [ -0.0000360900000000, 0.0006766800000000, 0.0000424700000000 ] - [ -0.0000368600000000, 0.0001311500000000, 0.0000425200000000 ] - [ -0.0000375000000000, 0.0001176300000000, 0.0000421000000000 ] - [ 0.0000026600000000, -0.0001604200000000, 0.0003487500000000 ] - [ -0.0000585000000000, 0.0000073700000000, 0.0000684100000000 ] - [ 0.0000471400000000, -0.0000093900000000, 0.0000869400000000 ] - [ -0.0000372500000000, -0.0003618900000000, 0.0000423200000000 ] - [ -0.0000373000000000, -0.0001518800000000, 0.0000422700000000 ] - [ -0.0000371500000000, -0.0001035900000000, 0.0000423700000000 ] - [ -0.0000762200000000, -0.0001611700000000, -0.0002641700000000 ] - [ -0.0000154200000000, 0.0000074600000000, 0.0000166000000000 ] - [ -0.0001205200000000, -0.0000096000000000, -0.0000019500000000 ]- atom: 25 displacement: [ -0.0001134853443869, 0.0000000000000000, 0.0099993560330958 ] forces: - [ -0.0009723800000000, 0.0030658400000000, 0.0034311600000000 ] - [ 0.0003415400000000, 0.0002008200000000, -0.0000348300000000 ] - [ -0.0002099200000000, 0.0000667000000000, 0.0001454700000000 ] - [ 0.0000102900000000, 0.0003422800000000, 0.0001310000000000 ] - [ 0.0000471600000000, 0.0000648300000000, -0.0000173700000000 ] - [ -0.0000819300000000, 0.0000785200000000, 0.0000525100000000 ] - [ 0.0000102900000000, -0.0003422800000000, 0.0001310000000000 ] - [ 0.0000471600000000, -0.0000648300000000, -0.0000173700000000 ] - [ -0.0000819300000000, -0.0000785200000000, 0.0000525100000000 ] - [ -0.0009723800000000, -0.0030658400000000, 0.0034311600000000 ] - [ 0.0003415400000000, -0.0002008200000000, -0.0000348300000000 ] - [ -0.0002099200000000, -0.0000667000000000, 0.0001454700000000 ] - [ -0.0009684700000000, -0.0030421000000000, 0.0034089500000000 ] - [ -0.0002099700000000, -0.0000661700000000, 0.0001458000000000 ] - [ 0.0003410900000000, -0.0002004400000000, -0.0000354900000000 ] - [ 0.0000106600000000, -0.0003409900000000, 0.0001322100000000 ] - [ -0.0000808700000000, -0.0000791000000000, 0.0000534500000000 ] - [ 0.0000466800000000, -0.0000646100000000, -0.0000165200000000 ] - [ 0.0000106600000000, 0.0003409900000000, 0.0001322100000000 ] - [ -0.0000808700000000, 0.0000791000000000, 0.0000534500000000 ] - [ 0.0000466800000000, 0.0000646100000000, -0.0000165200000000 ] - [ -0.0009684700000000, 0.0030421000000000, 0.0034089500000000 ] - [ -0.0002099700000000, 0.0000661700000000, 0.0001458000000000 ] - [ 0.0003410900000000, 0.0002004400000000, -0.0000354900000000 ] - [ -0.0032828300000000, 0.0000000000000000, -0.0403784100000000 ] - [ 0.0000261500000000, 0.0000000000000000, -0.0004128100000000 ] - [ 0.0000255600000000, 0.0000000000000000, -0.0004118100000000 ] - [ 0.0018718500000000, -0.0000027200000000, -0.0021884500000000 ] - [ -0.0000075000000000, 0.0001116900000000, -0.0002658500000000 ] - [ -0.0000075900000000, -0.0001105900000000, -0.0002647300000000 ] - [ 0.0002241300000000, 0.0000000000000000, -0.0003924300000000 ] - [ 0.0000074200000000, 0.0000000000000000, -0.0000964800000000 ] - [ 0.0000071400000000, 0.0000000000000000, -0.0000962700000000 ] - [ 0.0018718500000000, 0.0000027200000000, -0.0021884500000000 ] - [ -0.0000075000000000, -0.0001116900000000, -0.0002658500000000 ] - [ -0.0000075900000000, 0.0001105900000000, -0.0002647300000000 ] - [ 0.0000899000000000, 0.0000000000000000, 0.0013849300000000 ] - [ 0.0001169000000000, 0.0000000000000000, 0.0003916600000000 ] - [ 0.0001166900000000, 0.0000000000000000, 0.0003920200000000 ] - [ -0.0000222300000000, 0.0000004700000000, 0.0006880500000000 ] - [ 0.0000055300000000, 0.0000207500000000, 0.0001669000000000 ] - [ 0.0000052600000000, -0.0000207000000000, 0.0001668200000000 ] - [ 0.0000049600000000, 0.0000000000000000, 0.0002086100000000 ] - [ -0.0000160400000000, 0.0000000000000000, 0.0000907400000000 ] - [ -0.0000162800000000, 0.0000000000000000, 0.0000905400000000 ] - [ -0.0000222300000000, -0.0000004700000000, 0.0006880500000000 ] - [ 0.0000055300000000, -0.0000207500000000, 0.0001669000000000 ] - [ 0.0000052600000000, 0.0000207000000000, 0.0001668200000000 ] - [ -0.0002821300000000, 0.0000000000000000, -0.0002499900000000 ] - [ 0.0000523700000000, 0.0000000000000000, -0.0001535500000000 ] - [ 0.0002529500000000, 0.0000000000000000, -0.0010434500000000 ] - [ -0.0000304600000000, -0.0000582700000000, -0.0001115600000000 ] - [ 0.0000605600000000, -0.0000197300000000, -0.0001087300000000 ] - [ 0.0001844000000000, -0.0004653500000000, -0.0005646100000000 ] - [ 0.0000239600000000, 0.0000000000000000, -0.0000759400000000 ] - [ 0.0000618000000000, 0.0000000000000000, -0.0000827300000000 ] - [ 0.0000467400000000, 0.0000000000000000, -0.0001448000000000 ] - [ -0.0000304600000000, 0.0000582700000000, -0.0001115600000000 ] - [ 0.0000605600000000, 0.0000197300000000, -0.0001087300000000 ] - [ 0.0001844000000000, 0.0004653500000000, -0.0005646100000000 ] - [ 0.0002828000000000, 0.0000000000000000, 0.0000386900000000 ] - [ -0.0000033500000000, 0.0000000000000000, 0.0000372900000000 ] - [ 0.0079265700000000, 0.0000000000000000, 0.0089969100000000 ] - [ 0.0001852800000000, 0.0000286500000000, 0.0000101700000000 ] - [ 0.0000067300000000, 0.0000498300000000, 0.0000020700000000 ] - [ -0.0001327300000000, 0.0005466700000000, 0.0003455100000000 ] - [ 0.0000617400000000, 0.0000000000000000, -0.0000058200000000 ] - [ 0.0000312200000000, 0.0000000000000000, -0.0000121700000000 ] - [ 0.0000097500000000, 0.0000000000000000, 0.0000535400000000 ] - [ 0.0001852800000000, -0.0000286500000000, 0.0000101700000000 ] - [ 0.0000067300000000, -0.0000498300000000, 0.0000020700000000 ] - [ -0.0001327300000000, -0.0005466700000000, 0.0003455100000000 ] - [ -0.0001636800000000, -0.0001320400000000, 0.0001713000000000 ] - [ -0.0000318100000000, -0.0000183600000000, 0.0000712700000000 ] - [ -0.0033373700000000, 0.0022291100000000, 0.0036363600000000 ] - [ -0.0000426900000000, -0.0000215900000000, 0.0000104200000000 ] - [ -0.0000191500000000, -0.0000067700000000, 0.0000125100000000 ] - [ -0.0001290700000000, -0.0001621300000000, 0.0001510500000000 ] - [ -0.0000426900000000, 0.0000215900000000, 0.0000104200000000 ] - [ -0.0000191500000000, 0.0000067700000000, 0.0000125100000000 ] - [ -0.0001290700000000, 0.0001621300000000, 0.0001510500000000 ] - [ -0.0001636800000000, 0.0001320400000000, 0.0001713000000000 ] - [ -0.0000318100000000, 0.0000183600000000, 0.0000712700000000 ] - [ -0.0033373700000000, -0.0022291100000000, 0.0036363600000000 ] - [ 0.0000107900000000, -0.0000159100000000, -0.0001766500000000 ] - [ -0.0000602800000000, 0.0000544400000000, -0.0001264200000000 ] - [ 0.0000086900000000, 0.0001391100000000, -0.0008112700000000 ] - [ -0.0000042000000000, 0.0000030400000000, -0.0001015400000000 ] - [ -0.0000266700000000, 0.0000166500000000, -0.0000859300000000 ] - [ -0.0000428100000000, 0.0000230700000000, -0.0001928700000000 ] - [ -0.0000042000000000, -0.0000030400000000, -0.0001015400000000 ] - [ -0.0000266700000000, -0.0000166500000000, -0.0000859300000000 ] - [ -0.0000428100000000, -0.0000230700000000, -0.0001928700000000 ] - [ 0.0000107900000000, 0.0000159100000000, -0.0001766500000000 ] - [ -0.0000602800000000, -0.0000544400000000, -0.0001264200000000 ] - [ 0.0000086900000000, -0.0001391100000000, -0.0008112700000000 ] - [ 0.0000613400000000, -0.0001399200000000, -0.0007202800000000 ] - [ -0.0000076100000000, -0.0000542900000000, -0.0000346000000000 ] - [ 0.0000632200000000, 0.0000159500000000, -0.0000847900000000 ] - [ 0.0000096900000000, -0.0000228800000000, -0.0001008800000000 ] - [ 0.0000258300000000, -0.0000168800000000, 0.0000058200000000 ] - [ 0.0000483200000000, -0.0000032200000000, -0.0000099000000000 ] - [ 0.0000096900000000, 0.0000228800000000, -0.0001008800000000 ] - [ 0.0000258300000000, 0.0000168800000000, 0.0000058200000000 ] - [ 0.0000483200000000, 0.0000032200000000, -0.0000099000000000 ] - [ 0.0000613400000000, 0.0001399200000000, -0.0007202800000000 ] - [ -0.0000076100000000, 0.0000542900000000, -0.0000346000000000 ] - [ 0.0000632200000000, -0.0000159500000000, -0.0000847900000000 ] - [ -0.0032566800000000, -0.0021814600000000, 0.0037225500000000 ] - [ 0.0000207400000000, 0.0000182500000000, 0.0001632300000000 ] - [ -0.0001095500000000, 0.0001312100000000, 0.0002629100000000 ] - [ -0.0000768000000000, 0.0001632400000000, 0.0002426100000000 ] - [ 0.0000337700000000, 0.0000068600000000, 0.0001047300000000 ] - [ 0.0000095600000000, 0.0000217200000000, 0.0001023000000000 ] - [ -0.0000768000000000, -0.0001632400000000, 0.0002426100000000 ] - [ 0.0000337700000000, -0.0000068600000000, 0.0001047300000000 ] - [ 0.0000095600000000, -0.0000217200000000, 0.0001023000000000 ] - [ -0.0032566800000000, 0.0021814600000000, 0.0037225500000000 ] - [ 0.0000207400000000, -0.0000182500000000, 0.0001632300000000 ] - [ -0.0001095500000000, -0.0001312100000000, 0.0002629100000000 ] - [ 0.0081609100000000, 0.0000000000000000, 0.0094593400000000 ] - [ -0.0000800400000000, 0.0000000000000000, 0.0001210400000000 ] - [ 0.0002059600000000, 0.0000000000000000, 0.0001230000000000 ] - [ -0.0002083200000000, -0.0005486100000000, 0.0004301000000000 ] - [ -0.0000699900000000, -0.0000499700000000, 0.0000860700000000 ] - [ 0.0001075900000000, -0.0000284900000000, 0.0000941800000000 ] - [ -0.0000668600000000, 0.0000000000000000, 0.0001378300000000 ] - [ -0.0000457500000000, 0.0000000000000000, 0.0000717600000000 ] - [ -0.0000154200000000, 0.0000000000000000, 0.0000782800000000 ] - [ -0.0002083200000000, 0.0005486100000000, 0.0004301000000000 ] - [ -0.0000699900000000, 0.0000499700000000, 0.0000860700000000 ] - [ 0.0001075900000000, 0.0000284900000000, 0.0000941800000000 ] - [ 0.0001758200000000, 0.0000000000000000, -0.0009556000000000 ] - [ -0.0000243300000000, 0.0000000000000000, -0.0000697400000000 ] - [ -0.0003593700000000, 0.0000000000000000, -0.0001661500000000 ] - [ 0.0001070100000000, 0.0004639900000000, -0.0004798800000000 ] - [ -0.0000162300000000, 0.0000195700000000, -0.0000248600000000 ] - [ -0.0001072500000000, 0.0000581100000000, -0.0000276800000000 ] - [ -0.0000300700000000, 0.0000000000000000, -0.0000611500000000 ] - [ -0.0000148900000000, 0.0000000000000000, 0.0000012700000000 ] - [ -0.0000527800000000, 0.0000000000000000, 0.0000082500000000 ] - [ 0.0001070100000000, -0.0004639900000000, -0.0004798800000000 ] - [ -0.0000162300000000, -0.0000195700000000, -0.0000248600000000 ] - [ -0.0001072500000000, -0.0000581100000000, -0.0000276800000000 ]- atom: 49 displacement: [ 0.0099999724726832, 0.0000000000000000, -0.0000234637076704 ] forces: - [ -0.0004067800000000, 0.0002727100000000, -0.0001453000000000 ] - [ 0.0070263000000000, 0.0071199400000000, -0.0046527900000000 ] - [ -0.0001799600000000, -0.0000287500000000, 0.0000424500000000 ] - [ -0.0000191200000000, 0.0000997000000000, -0.0000266300000000 ] - [ 0.0002487700000000, -0.0000966900000000, -0.0001346600000000 ] - [ -0.0000985700000000, -0.0000400000000000, 0.0000135600000000 ] - [ -0.0000191200000000, -0.0000997000000000, -0.0000266300000000 ] - [ 0.0002487700000000, 0.0000966900000000, -0.0001346600000000 ] - [ -0.0000985700000000, 0.0000400000000000, 0.0000135600000000 ] - [ -0.0004067800000000, -0.0002727100000000, -0.0001453000000000 ] - [ 0.0070263000000000, -0.0071199400000000, -0.0046527900000000 ] - [ -0.0001799600000000, 0.0000287500000000, 0.0000424500000000 ] - [ -0.0000341100000000, 0.0000545000000000, 0.0000719900000000 ] - [ 0.0002617000000000, -0.0001187500000000, 0.0000139800000000 ] - [ -0.0001029700000000, -0.0000181100000000, -0.0000438800000000 ] - [ -0.0000132600000000, 0.0000466400000000, 0.0000344500000000 ] - [ 0.0000873700000000, -0.0000185700000000, -0.0000001500000000 ] - [ -0.0000540300000000, -0.0000120300000000, -0.0000004100000000 ] - [ -0.0000132600000000, -0.0000466400000000, 0.0000344500000000 ] - [ 0.0000873700000000, 0.0000185700000000, -0.0000001500000000 ] - [ -0.0000540300000000, 0.0000120300000000, -0.0000004100000000 ] - [ -0.0000341100000000, -0.0000545000000000, 0.0000719900000000 ] - [ 0.0002617000000000, 0.0001187500000000, 0.0000139800000000 ] - [ -0.0001029700000000, 0.0000181100000000, -0.0000438800000000 ] - [ -0.0001615400000000, 0.0000000000000000, -0.0003200700000000 ] - [ 0.0003686800000000, 0.0000000000000000, 0.0002194900000000 ] - [ -0.0001103600000000, 0.0000000000000000, 0.0000069800000000 ] - [ -0.0000228300000000, 0.0000830300000000, -0.0000681500000000 ] - [ 0.0002371100000000, 0.0000389700000000, 0.0001486900000000 ] - [ -0.0000856500000000, -0.0000219000000000, 0.0000202300000000 ] - [ -0.0000005300000000, 0.0000000000000000, -0.0000127200000000 ] - [ 0.0000651700000000, 0.0000000000000000, 0.0000122400000000 ] - [ -0.0000607200000000, 0.0000000000000000, 0.0000235300000000 ] - [ -0.0000228300000000, -0.0000830300000000, -0.0000681500000000 ] - [ 0.0002371100000000, -0.0000389700000000, 0.0001486900000000 ] - [ -0.0000856500000000, 0.0000219000000000, 0.0000202300000000 ] - [ -0.0003097900000000, 0.0000000000000000, 0.0002417800000000 ] - [ 0.0084284900000000, 0.0000000000000000, 0.0082301800000000 ] - [ -0.0001770500000000, 0.0000000000000000, -0.0000432100000000 ] - [ -0.0001364600000000, 0.0003179700000000, 0.0001446200000000 ] - [ 0.0005683100000000, -0.0002975900000000, -0.0001641700000000 ] - [ -0.0001242000000000, -0.0000524700000000, -0.0000333000000000 ] - [ -0.0000145500000000, 0.0000000000000000, 0.0000195000000000 ] - [ 0.0001061000000000, 0.0000000000000000, -0.0000276500000000 ] - [ -0.0000579000000000, 0.0000000000000000, -0.0000074300000000 ] - [ -0.0001364600000000, -0.0003179700000000, 0.0001446200000000 ] - [ 0.0005683100000000, 0.0002975900000000, -0.0001641700000000 ] - [ -0.0001242000000000, 0.0000524700000000, -0.0000333000000000 ] - [ -0.0252093900000000, 0.0000000000000000, 0.0011284000000000 ] - [ 0.0001646200000000, 0.0000000000000000, -0.0000384800000000 ] - [ 0.0001639700000000, 0.0000000000000000, -0.0000330500000000 ] - [ -0.0003523900000000, -0.0001090800000000, 0.0000435100000000 ] - [ 0.0001257000000000, 0.0000224500000000, -0.0000410600000000 ] - [ 0.0001256500000000, -0.0001041800000000, -0.0000177800000000 ] - [ -0.0000384900000000, 0.0000000000000000, -0.0000219500000000 ] - [ 0.0000663500000000, 0.0000000000000000, -0.0000309300000000 ] - [ 0.0000665300000000, 0.0000000000000000, -0.0000438800000000 ] - [ -0.0003523900000000, 0.0001090800000000, 0.0000435100000000 ] - [ 0.0001257000000000, -0.0000224500000000, -0.0000410600000000 ] - [ 0.0001256500000000, 0.0001041800000000, -0.0000177800000000 ] - [ -0.0000462100000000, 0.0000000000000000, -0.0000618000000000 ] - [ 0.0000859100000000, 0.0000000000000000, -0.0000332200000000 ] - [ 0.0000853900000000, 0.0000000000000000, -0.0000017600000000 ] - [ -0.0000278700000000, 0.0000048400000000, -0.0000461200000000 ] - [ 0.0000659200000000, 0.0000099900000000, -0.0000435000000000 ] - [ 0.0000665200000000, -0.0000293100000000, -0.0000394200000000 ] - [ 0.0000007900000000, 0.0000000000000000, -0.0000401200000000 ] - [ 0.0000578100000000, 0.0000000000000000, -0.0000475600000000 ] - [ 0.0000576700000000, 0.0000000000000000, -0.0000487200000000 ] - [ -0.0000278700000000, -0.0000048400000000, -0.0000461200000000 ] - [ 0.0000659200000000, -0.0000099900000000, -0.0000435000000000 ] - [ 0.0000665200000000, 0.0000293100000000, -0.0000394200000000 ] - [ -0.0002989000000000, -0.0000849600000000, -0.0001102500000000 ] - [ 0.0000377200000000, 0.0000118400000000, -0.0000683600000000 ] - [ 0.0000518200000000, -0.0000815500000000, 0.0000312200000000 ] - [ -0.0000771200000000, 0.0000165800000000, -0.0000534600000000 ] - [ 0.0000188900000000, 0.0000179800000000, -0.0000579900000000 ] - [ 0.0000002600000000, -0.0000298700000000, -0.0000327800000000 ] - [ -0.0000771200000000, -0.0000165800000000, -0.0000534600000000 ] - [ 0.0000188900000000, -0.0000179800000000, -0.0000579900000000 ] - [ 0.0000002600000000, 0.0000298700000000, -0.0000327800000000 ] - [ -0.0002989000000000, 0.0000849600000000, -0.0001102500000000 ] - [ 0.0000377200000000, -0.0000118400000000, -0.0000683600000000 ] - [ 0.0000518200000000, 0.0000815500000000, 0.0000312200000000 ] - [ -0.0004398100000000, -0.0000399100000000, -0.0002136300000000 ] - [ 0.0000577200000000, 0.0000155300000000, -0.0000232100000000 ] - [ 0.0000757100000000, -0.0000301000000000, -0.0001535400000000 ] - [ -0.0000822400000000, 0.0000143800000000, -0.0000368000000000 ] - [ 0.0000051500000000, 0.0000186800000000, -0.0000372100000000 ] - [ 0.0000102700000000, -0.0000574300000000, -0.0000805400000000 ] - [ -0.0000822400000000, -0.0000143800000000, -0.0000368000000000 ] - [ 0.0000051500000000, -0.0000186800000000, -0.0000372100000000 ] - [ 0.0000102700000000, 0.0000574300000000, -0.0000805400000000 ] - [ -0.0004398100000000, 0.0000399100000000, -0.0002136300000000 ] - [ 0.0000577200000000, -0.0000155300000000, -0.0000232100000000 ] - [ 0.0000757100000000, 0.0000301000000000, -0.0001535400000000 ] - [ 0.0006042400000000, -0.0004423100000000, -0.0002144000000000 ] - [ 0.0007422300000000, 0.0014503400000000, 0.0006925500000000 ] - [ 0.0000945000000000, 0.0000112100000000, 0.0000487600000000 ] - [ 0.0000111300000000, -0.0000703100000000, 0.0000530400000000 ] - [ -0.0000488100000000, 0.0000661200000000, 0.0000464200000000 ] - [ 0.0000644700000000, 0.0000143500000000, 0.0000526700000000 ] - [ 0.0000111300000000, 0.0000703100000000, 0.0000530400000000 ] - [ -0.0000488100000000, -0.0000661200000000, 0.0000464200000000 ] - [ 0.0000644700000000, -0.0000143500000000, 0.0000526700000000 ] - [ 0.0006042400000000, 0.0004423100000000, -0.0002144000000000 ] - [ 0.0007422300000000, -0.0014503400000000, 0.0006925500000000 ] - [ 0.0000945000000000, -0.0000112100000000, 0.0000487600000000 ] - [ 0.0000084000000000, -0.0000552500000000, 0.0000873900000000 ] - [ -0.0000541900000000, 0.0000351100000000, -0.0000014500000000 ] - [ 0.0000708300000000, 0.0000046200000000, 0.0000458100000000 ] - [ 0.0000102500000000, -0.0000251800000000, 0.0000551300000000 ] - [ -0.0000111100000000, 0.0000209000000000, 0.0000225700000000 ] - [ 0.0000539600000000, 0.0000025000000000, 0.0000372800000000 ] - [ 0.0000102500000000, 0.0000251800000000, 0.0000551300000000 ] - [ -0.0000111100000000, -0.0000209000000000, 0.0000225700000000 ] - [ 0.0000539600000000, -0.0000025000000000, 0.0000372800000000 ] - [ 0.0000084000000000, 0.0000552500000000, 0.0000873900000000 ] - [ -0.0000541900000000, -0.0000351100000000, -0.0000014500000000 ] - [ 0.0000708300000000, -0.0000046200000000, 0.0000458100000000 ] - [ 0.0003911300000000, 0.0000000000000000, 0.0003691900000000 ] - [ -0.0001029500000000, 0.0000000000000000, -0.0004774800000000 ] - [ 0.0000345500000000, 0.0000000000000000, 0.0000311900000000 ] - [ -0.0000185100000000, -0.0000933600000000, 0.0001023500000000 ] - [ 0.0002645400000000, 0.0005400500000000, -0.0003600200000000 ] - [ 0.0000203200000000, 0.0000134400000000, 0.0000315400000000 ] - [ -0.0000557600000000, 0.0000000000000000, 0.0000602400000000 ] - [ -0.0000908200000000, 0.0000000000000000, 0.0000498200000000 ] - [ 0.0000048400000000, 0.0000000000000000, 0.0000346000000000 ] - [ -0.0000185100000000, 0.0000933600000000, 0.0001023500000000 ] - [ 0.0002645400000000, -0.0005400500000000, -0.0003600200000000 ] - [ 0.0000203200000000, -0.0000134400000000, 0.0000315400000000 ] - [ -0.0000314100000000, 0.0000000000000000, -0.0000651300000000 ] - [ 0.0000860200000000, 0.0000000000000000, 0.0005981300000000 ] - [ 0.0000332200000000, 0.0000000000000000, 0.0000609700000000 ] - [ -0.0000544400000000, -0.0000414500000000, -0.0000281600000000 ] - [ -0.0001238500000000, 0.0000289300000000, 0.0001126300000000 ] - [ 0.0000126000000000, 0.0000133300000000, 0.0000524800000000 ] - [ -0.0000559800000000, 0.0000000000000000, 0.0000277000000000 ] - [ -0.0000614100000000, 0.0000000000000000, 0.0000456900000000 ] - [ -0.0000047500000000, 0.0000000000000000, 0.0000431700000000 ] - [ -0.0000544400000000, 0.0000414500000000, -0.0000281600000000 ] - [ -0.0001238500000000, -0.0000289300000000, 0.0001126300000000 ] - [ 0.0000126000000000, -0.0000133300000000, 0.0000524800000000 ]- atom: 49 displacement: [ -0.0099999724726832, 0.0000000000000000, 0.0000234637076704 ] forces: - [ 0.0004094000000000, -0.0002740100000000, 0.0001484600000000 ] - [ -0.0069845900000000, -0.0069695800000000, 0.0045489100000000 ] - [ 0.0001805600000000, 0.0000286700000000, -0.0000433700000000 ] - [ 0.0000197400000000, -0.0000996700000000, 0.0000270200000000 ] - [ -0.0002474200000000, 0.0000990000000000, 0.0001343800000000 ] - [ 0.0000977400000000, 0.0000376000000000, -0.0000101900000000 ] - [ 0.0000197400000000, 0.0000996700000000, 0.0000270200000000 ] - [ -0.0002474200000000, -0.0000990000000000, 0.0001343800000000 ] - [ 0.0000977400000000, -0.0000376000000000, -0.0000101900000000 ] - [ 0.0004094000000000, 0.0002740100000000, 0.0001484600000000 ] - [ -0.0069845900000000, 0.0069695800000000, 0.0045489100000000 ] - [ 0.0001805600000000, -0.0000286700000000, -0.0000433700000000 ] - [ 0.0000332300000000, -0.0000563600000000, -0.0000690900000000 ] - [ -0.0002605400000000, 0.0001193700000000, -0.0000145700000000 ] - [ 0.0001022300000000, 0.0000188400000000, 0.0000421600000000 ] - [ 0.0000123300000000, -0.0000462100000000, -0.0000345400000000 ] - [ -0.0000858000000000, 0.0000177000000000, 0.0000025800000000 ] - [ 0.0000547300000000, 0.0000110700000000, -0.0000001700000000 ] - [ 0.0000123300000000, 0.0000462100000000, -0.0000345400000000 ] - [ -0.0000858000000000, -0.0000177000000000, 0.0000025800000000 ] - [ 0.0000547300000000, -0.0000110700000000, -0.0000001700000000 ] - [ 0.0000332300000000, 0.0000563600000000, -0.0000690900000000 ] - [ -0.0002605400000000, -0.0001193700000000, -0.0000145700000000 ] - [ 0.0001022300000000, -0.0000188400000000, 0.0000421600000000 ] - [ 0.0001607100000000, 0.0000000000000000, 0.0003230200000000 ] - [ -0.0003688800000000, 0.0000000000000000, -0.0002220700000000 ] - [ 0.0001142600000000, 0.0000000000000000, -0.0000150800000000 ] - [ 0.0000231100000000, -0.0000838000000000, 0.0000696600000000 ] - [ -0.0002378500000000, -0.0000369000000000, -0.0001485900000000 ] - [ 0.0000847400000000, 0.0000192500000000, -0.0000196000000000 ] - [ -0.0000002300000000, 0.0000000000000000, 0.0000177500000000 ] - [ -0.0000643200000000, 0.0000000000000000, -0.0000042700000000 ] - [ 0.0000596300000000, 0.0000000000000000, -0.0000250000000000 ] - [ 0.0000231100000000, 0.0000838000000000, 0.0000696600000000 ] - [ -0.0002378500000000, 0.0000369000000000, -0.0001485900000000 ] - [ 0.0000847400000000, -0.0000192500000000, -0.0000196000000000 ] - [ 0.0003091500000000, 0.0000000000000000, -0.0002404100000000 ] - [ -0.0083471700000000, 0.0000000000000000, -0.0080017200000000 ] - [ 0.0001756700000000, 0.0000000000000000, 0.0000417200000000 ] - [ 0.0001355400000000, -0.0003203400000000, -0.0001471500000000 ] - [ -0.0005671000000000, 0.0002980200000000, 0.0001649500000000 ] - [ 0.0001240100000000, 0.0000506700000000, 0.0000321200000000 ] - [ 0.0000151000000000, 0.0000000000000000, -0.0000251100000000 ] - [ -0.0001048300000000, 0.0000000000000000, 0.0000243000000000 ] - [ 0.0000560400000000, 0.0000000000000000, 0.0000035400000000 ] - [ 0.0001355400000000, 0.0003203400000000, -0.0001471500000000 ] - [ -0.0005671000000000, -0.0002980200000000, 0.0001649500000000 ] - [ 0.0001240100000000, -0.0000506700000000, 0.0000321200000000 ] - [ 0.0251304000000000, 0.0000000000000000, -0.0012292200000000 ] - [ -0.0000810100000000, 0.0000000000000000, -0.0000248800000000 ] - [ -0.0000808000000000, 0.0000000000000000, -0.0000317600000000 ] - [ 0.0004361300000000, 0.0001056300000000, -0.0001057100000000 ] - [ -0.0000440300000000, -0.0000216400000000, -0.0000212800000000 ] - [ -0.0000397500000000, 0.0001031600000000, -0.0000466600000000 ] - [ 0.0001189800000000, 0.0000000000000000, -0.0000386900000000 ] - [ 0.0000201200000000, 0.0000000000000000, -0.0000288700000000 ] - [ 0.0000140600000000, 0.0000000000000000, -0.0000180900000000 ] - [ 0.0004361300000000, -0.0001056300000000, -0.0001057100000000 ] - [ -0.0000440300000000, 0.0000216400000000, -0.0000212800000000 ] - [ -0.0000397500000000, -0.0001031600000000, -0.0000466600000000 ] - [ 0.0001324600000000, 0.0000000000000000, 0.0000012000000000 ] - [ -0.0000059600000000, 0.0000000000000000, -0.0000288300000000 ] - [ -0.0000024900000000, 0.0000000000000000, -0.0000615800000000 ] - [ 0.0001088100000000, -0.0000057200000000, -0.0000171000000000 ] - [ 0.0000144300000000, -0.0000090600000000, -0.0000196000000000 ] - [ 0.0000140400000000, 0.0000286700000000, -0.0000236700000000 ] - [ 0.0000767100000000, 0.0000000000000000, -0.0000230400000000 ] - [ 0.0000247900000000, 0.0000000000000000, -0.0000121700000000 ] - [ 0.0000233000000000, 0.0000000000000000, -0.0000128000000000 ] - [ 0.0001088100000000, 0.0000057200000000, -0.0000171000000000 ] - [ 0.0000144300000000, 0.0000090600000000, -0.0000196000000000 ] - [ 0.0000140400000000, -0.0000286700000000, -0.0000236700000000 ] - [ 0.0002470800000000, 0.0000824300000000, 0.0000018000000000 ] - [ -0.0000932400000000, -0.0000118700000000, -0.0000430600000000 ] - [ -0.0001066900000000, 0.0000812400000000, -0.0001406900000000 ] - [ 0.0000226400000000, -0.0000188500000000, -0.0000569600000000 ] - [ -0.0000757600000000, -0.0000154000000000, -0.0000539700000000 ] - [ -0.0000544500000000, 0.0000303000000000, -0.0000775000000000 ] - [ 0.0000226400000000, 0.0000188500000000, -0.0000569600000000 ] - [ -0.0000757600000000, 0.0000154000000000, -0.0000539700000000 ] - [ -0.0000544500000000, -0.0000303000000000, -0.0000775000000000 ] - [ 0.0002470800000000, -0.0000824300000000, 0.0000018000000000 ] - [ -0.0000932400000000, 0.0000118700000000, -0.0000430600000000 ] - [ -0.0001066900000000, -0.0000812400000000, -0.0001406900000000 ] - [ 0.0003871200000000, 0.0000377000000000, 0.0000974500000000 ] - [ -0.0001135600000000, -0.0000142300000000, -0.0000888300000000 ] - [ -0.0001320400000000, 0.0000299900000000, 0.0000431300000000 ] - [ 0.0000255600000000, -0.0000143000000000, -0.0000751100000000 ] - [ -0.0000596800000000, -0.0000167500000000, -0.0000749200000000 ] - [ -0.0000655000000000, 0.0000584500000000, -0.0000310700000000 ] - [ 0.0000255600000000, 0.0000143000000000, -0.0000751100000000 ] - [ -0.0000596800000000, 0.0000167500000000, -0.0000749200000000 ] - [ -0.0000655000000000, -0.0000584500000000, -0.0000310700000000 ] - [ 0.0003871200000000, -0.0000377000000000, 0.0000974500000000 ] - [ -0.0001135600000000, 0.0000142300000000, -0.0000888300000000 ] - [ -0.0001320400000000, -0.0000299900000000, 0.0000431300000000 ] - [ -0.0005660800000000, 0.0004540100000000, 0.0003313500000000 ] - [ -0.0006778500000000, -0.0014389500000000, -0.0005747700000000 ] - [ -0.0000408600000000, -0.0000104400000000, 0.0000606600000000 ] - [ 0.0000433200000000, 0.0000705200000000, 0.0000580300000000 ] - [ 0.0001028300000000, -0.0000662100000000, 0.0000668900000000 ] - [ -0.0000106600000000, -0.0000133400000000, 0.0000576800000000 ] - [ 0.0000433200000000, -0.0000705200000000, 0.0000580300000000 ] - [ 0.0001028300000000, 0.0000662100000000, 0.0000668900000000 ] - [ -0.0000106600000000, 0.0000133400000000, 0.0000576800000000 ] - [ -0.0005660800000000, -0.0004540100000000, 0.0003313500000000 ] - [ -0.0006778500000000, 0.0014389500000000, -0.0005747700000000 ] - [ -0.0000408600000000, 0.0000104400000000, 0.0000606600000000 ] - [ 0.0000449700000000, 0.0000541600000000, 0.0000215700000000 ] - [ 0.0001093500000000, -0.0000358300000000, 0.0001140800000000 ] - [ -0.0000169200000000, -0.0000044100000000, 0.0000653500000000 ] - [ 0.0000458400000000, 0.0000253300000000, 0.0000553900000000 ] - [ 0.0000661100000000, -0.0000223300000000, 0.0000870000000000 ] - [ 0.0000004500000000, -0.0000006500000000, 0.0000756400000000 ] - [ 0.0000458400000000, -0.0000253300000000, 0.0000553900000000 ] - [ 0.0000661100000000, 0.0000223300000000, 0.0000870000000000 ] - [ 0.0000004500000000, 0.0000006500000000, 0.0000756400000000 ] - [ 0.0000449700000000, -0.0000541600000000, 0.0000215700000000 ] - [ 0.0001093500000000, 0.0000358300000000, 0.0001140800000000 ] - [ -0.0000169200000000, 0.0000044100000000, 0.0000653500000000 ] - [ -0.0004803800000000, 0.0000000000000000, -0.0003130900000000 ] - [ 0.0000161500000000, 0.0000000000000000, 0.0005401100000000 ] - [ -0.0001157500000000, 0.0000000000000000, 0.0000328300000000 ] - [ -0.0000627800000000, 0.0000932000000000, -0.0000387800000000 ] - [ -0.0003443200000000, -0.0005442900000000, 0.0004243500000000 ] - [ -0.0001064600000000, -0.0000128900000000, 0.0000322000000000 ] - [ -0.0000291000000000, 0.0000000000000000, 0.0000029600000000 ] - [ 0.0000113800000000, 0.0000000000000000, 0.0000137200000000 ] - [ -0.0000855900000000, 0.0000000000000000, 0.0000261800000000 ] - [ -0.0000627800000000, -0.0000932000000000, -0.0000387800000000 ] - [ -0.0003443200000000, 0.0005442900000000, 0.0004243500000000 ] - [ -0.0001064600000000, 0.0000128900000000, 0.0000322000000000 ] - [ -0.0000487000000000, 0.0000000000000000, 0.0001286400000000 ] - [ -0.0001645900000000, 0.0000000000000000, -0.0005377500000000 ] - [ -0.0001128400000000, 0.0000000000000000, 0.0000016100000000 ] - [ -0.0000259500000000, 0.0000408900000000, 0.0000912800000000 ] - [ 0.0000401100000000, -0.0000272000000000, -0.0000508700000000 ] - [ -0.0000930300000000, -0.0000138200000000, 0.0000093700000000 ] - [ -0.0000235200000000, 0.0000000000000000, 0.0000330100000000 ] - [ -0.0000170400000000, 0.0000000000000000, 0.0000151900000000 ] - [ -0.0000721900000000, 0.0000000000000000, 0.0000173800000000 ] - [ -0.0000259500000000, -0.0000408900000000, 0.0000912800000000 ] - [ 0.0000401100000000, 0.0000272000000000, -0.0000508700000000 ] - [ -0.0000930300000000, 0.0000138200000000, 0.0000093700000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001443900000000, 0.0001185300000000, 0.0000436100000000 ] - [ 0.0060461800000000, 0.0078964200000000, -0.0041971300000000 ] - [ -0.0000836400000000, 0.0001190700000000, 0.0000145100000000 ] - [ 0.0000749800000000, -0.0001191600000000, 0.0000131500000000 ] - [ -0.0000279700000000, -0.0009237100000000, 0.0000764200000000 ] - [ -0.0000777800000000, -0.0001191900000000, 0.0000046200000000 ] - [ -0.0000729100000000, -0.0001202200000000, -0.0000118700000000 ] - [ 0.0000277700000000, -0.0009208300000000, -0.0000765600000000 ] - [ 0.0000766700000000, -0.0001191900000000, -0.0000054100000000 ] - [ -0.0001425100000000, 0.0001194700000000, -0.0000455700000000 ] - [ -0.0058573800000000, 0.0077260700000000, 0.0040285500000000 ] - [ 0.0000810900000000, 0.0001182700000000, -0.0000160800000000 ] - [ 0.0000353400000000, 0.0000749300000000, -0.0000045500000000 ] - [ -0.0001040100000000, 0.0002159900000000, -0.0002311500000000 ] - [ -0.0000376600000000, 0.0000658700000000, -0.0000452600000000 ] - [ 0.0000276600000000, -0.0000751400000000, -0.0000114500000000 ] - [ 0.0000040300000000, -0.0002138400000000, -0.0000363100000000 ] - [ -0.0000226100000000, -0.0000658500000000, -0.0000129500000000 ] - [ -0.0000280300000000, -0.0000763600000000, 0.0000097600000000 ] - [ -0.0000044600000000, -0.0002158300000000, 0.0000372000000000 ] - [ 0.0000248300000000, -0.0000664400000000, 0.0000107000000000 ] - [ -0.0000364300000000, 0.0000757400000000, 0.0000043700000000 ] - [ 0.0001055700000000, 0.0002129100000000, 0.0002347000000000 ] - [ 0.0000388900000000, 0.0000654000000000, 0.0000440200000000 ] - [ 0.0000007700000000, 0.0001173000000000, 0.0000009000000000 ] - [ 0.0000007200000000, 0.0006768600000000, 0.0000015000000000 ] - [ -0.0000003600000000, 0.0001309000000000, -0.0000003500000000 ] - [ 0.0000689400000000, -0.0000099900000000, 0.0000590700000000 ] - [ 0.0001135200000000, -0.0001608600000000, 0.0004671200000000 ] - [ -0.0000577100000000, 0.0000078700000000, 0.0000197500000000 ] - [ 0.0000011600000000, -0.0001023800000000, 0.0000004200000000 ] - [ -0.0000003900000000, -0.0003603500000000, 0.0000010000000000 ] - [ -0.0000002400000000, -0.0001505300000000, 0.0000012500000000 ] - [ -0.0000661200000000, -0.0000074200000000, -0.0000578900000000 ] - [ -0.0001120900000000, -0.0001614100000000, -0.0004645900000000 ] - [ 0.0000555900000000, 0.0000062300000000, -0.0000193300000000 ] - [ -0.0000004800000000, 0.0002342100000000, 0.0000013700000000 ] - [ -0.0000137100000000, 0.0024141100000000, -0.0000160800000000 ] - [ 0.0000009500000000, 0.0001774700000000, 0.0000005000000000 ] - [ 0.0000839800000000, -0.0000407100000000, -0.0000255400000000 ] - [ -0.0000790000000000, -0.0005279500000000, -0.0005500400000000 ] - [ -0.0000909800000000, -0.0000283700000000, -0.0000510800000000 ] - [ 0.0000018200000000, -0.0001667800000000, -0.0000031200000000 ] - [ -0.0000004000000000, -0.0004449500000000, 0.0000002200000000 ] - [ 0.0000010800000000, -0.0001206100000000, 0.0000015000000000 ] - [ -0.0000853600000000, -0.0000435700000000, 0.0000287600000000 ] - [ 0.0000766600000000, -0.0005332800000000, 0.0005475100000000 ] - [ 0.0000906100000000, -0.0000300900000000, 0.0000511300000000 ] - [ -0.0001466100000000, -0.0216624700000000, 0.0001354700000000 ] - [ 0.0000340000000000, -0.0000747600000000, -0.0000418300000000 ] - [ 0.0000338700000000, -0.0000749400000000, -0.0000404300000000 ] - [ 0.0001445000000000, 0.0009093800000000, 0.0001447800000000 ] - [ 0.0001395300000000, 0.0000075200000000, -0.0000396900000000 ] - [ 0.0000114500000000, 0.0000078300000000, -0.0000534000000000 ] - [ 0.0000347000000000, 0.0003509900000000, -0.0000415300000000 ] - [ 0.0000337900000000, 0.0000644100000000, -0.0000420300000000 ] - [ 0.0000350800000000, 0.0000645500000000, -0.0000408300000000 ] - [ -0.0000715100000000, 0.0008952200000000, -0.0002267100000000 ] - [ -0.0000692500000000, 0.0000072500000000, -0.0000433200000000 ] - [ 0.0000559400000000, 0.0000073600000000, -0.0000282600000000 ] - [ 0.0000331900000000, -0.0001822300000000, -0.0000425700000000 ] - [ 0.0000344700000000, -0.0000461300000000, -0.0000417100000000 ] - [ 0.0000341800000000, -0.0000460000000000, -0.0000415500000000 ] - [ 0.0000303500000000, 0.0000415800000000, -0.0001076400000000 ] - [ 0.0000635100000000, 0.0000017900000000, -0.0000459800000000 ] - [ 0.0000246900000000, 0.0000021300000000, -0.0000519500000000 ] - [ 0.0000356500000000, 0.0001259700000000, -0.0000422300000000 ] - [ 0.0000350600000000, 0.0000428300000000, -0.0000420900000000 ] - [ 0.0000347000000000, 0.0000423300000000, -0.0000415900000000 ] - [ 0.0000404400000000, 0.0000419300000000, 0.0000238300000000 ] - [ 0.0000056800000000, 0.0000022600000000, -0.0000366500000000 ] - [ 0.0000442600000000, 0.0000021300000000, -0.0000313600000000 ] - [ -0.0000749100000000, -0.0001820000000000, -0.0006476300000000 ] - [ 0.0000085600000000, -0.0000575100000000, -0.0000627200000000 ] - [ -0.0000384400000000, -0.0000442100000000, -0.0000602000000000 ] - [ -0.0000572500000000, 0.0001987700000000, -0.0001368300000000 ] - [ 0.0000279500000000, 0.0000641000000000, -0.0000677000000000 ] - [ -0.0000420900000000, 0.0000434700000000, -0.0000591500000000 ] - [ 0.0000048300000000, 0.0001985100000000, 0.0000433400000000 ] - [ -0.0000792600000000, 0.0000645100000000, -0.0000245700000000 ] - [ -0.0000123600000000, 0.0000433700000000, -0.0000341800000000 ] - [ 0.0000212600000000, -0.0001817800000000, 0.0005541900000000 ] - [ -0.0000615000000000, -0.0000576100000000, -0.0000300800000000 ] - [ -0.0000145300000000, -0.0000441400000000, -0.0000333700000000 ] - [ 0.0001057900000000, 0.0002103200000000, 0.0008680400000000 ] - [ 0.0000401100000000, -0.0000536000000000, -0.0000216900000000 ] - [ -0.0000510900000000, -0.0000455300000000, -0.0000256400000000 ] - [ -0.0000300500000000, 0.0002110300000000, 0.0000302800000000 ] - [ -0.0000036100000000, 0.0000514700000000, -0.0000376800000000 ] - [ -0.0000426400000000, 0.0000463400000000, -0.0000361000000000 ] - [ -0.0000207800000000, 0.0002123400000000, -0.0001226900000000 ] - [ -0.0000483400000000, 0.0000515100000000, -0.0000548000000000 ] - [ -0.0000090600000000, 0.0000475000000000, -0.0000567100000000 ] - [ -0.0001580200000000, 0.0002120600000000, -0.0009561800000000 ] - [ -0.0000950600000000, -0.0000537400000000, -0.0000705400000000 ] - [ -0.0000006700000000, -0.0000453400000000, -0.0000677900000000 ] - [ -0.0002402600000000, 0.0001027900000000, 0.0001771100000000 ] - [ 0.0010699500000000, 0.0004882800000000, 0.0009105700000000 ] - [ 0.0000429500000000, -0.0000483900000000, 0.0000482300000000 ] - [ -0.0000215100000000, 0.0000743000000000, 0.0000605600000000 ] - [ 0.0000670500000000, 0.0002747600000000, 0.0001183400000000 ] - [ 0.0000408700000000, 0.0000486700000000, 0.0000569200000000 ] - [ 0.0000727000000000, 0.0000742000000000, 0.0000329800000000 ] - [ -0.0000136700000000, 0.0002755800000000, -0.0000252700000000 ] - [ 0.0000123400000000, 0.0000481800000000, 0.0000360700000000 ] - [ 0.0002893300000000, 0.0001002100000000, -0.0000823200000000 ] - [ -0.0010084500000000, 0.0004926700000000, -0.0008134700000000 ] - [ 0.0000106700000000, -0.0000484800000000, 0.0000450000000000 ] - [ -0.0000066700000000, -0.0000424100000000, 0.0000405400000000 ] - [ 0.0000730300000000, -0.0001440500000000, 0.0000288000000000 ] - [ 0.0000396400000000, -0.0000317900000000, 0.0000494100000000 ] - [ 0.0000088500000000, 0.0000421800000000, 0.0000414900000000 ] - [ 0.0000229000000000, 0.0001618500000000, -0.0000238100000000 ] - [ 0.0000374600000000, 0.0000316400000000, 0.0000402300000000 ] - [ 0.0000437100000000, 0.0000423600000000, 0.0000518100000000 ] - [ 0.0000300400000000, 0.0001625100000000, 0.0001165500000000 ] - [ 0.0000156400000000, 0.0000322400000000, 0.0000518800000000 ] - [ 0.0000574300000000, -0.0000430800000000, 0.0000529700000000 ] - [ -0.0000211500000000, -0.0001434900000000, 0.0000631300000000 ] - [ 0.0000146400000000, -0.0000322100000000, 0.0000421200000000 ] - [ -0.0000351000000000, -0.0000902000000000, 0.0000412000000000 ] - [ -0.0000358200000000, -0.0010825300000000, 0.0000423300000000 ] - [ -0.0000344900000000, -0.0000577500000000, 0.0000414800000000 ] - [ -0.0001287500000000, 0.0000117800000000, 0.0000091100000000 ] - [ 0.0005060300000000, 0.0013393200000000, -0.0008214300000000 ] - [ -0.0000207300000000, -0.0000031600000000, 0.0000389500000000 ] - [ -0.0000346500000000, 0.0000617400000000, 0.0000408400000000 ] - [ -0.0000349700000000, 0.0003703000000000, 0.0000415800000000 ] - [ -0.0000354000000000, 0.0000654700000000, 0.0000418400000000 ] - [ 0.0000597900000000, 0.0000121100000000, 0.0000734500000000 ] - [ -0.0005748200000000, 0.0013311700000000, 0.0009008200000000 ] - [ -0.0000477100000000, -0.0000034000000000, 0.0000443700000000 ] - [ -0.0000343700000000, -0.0000581300000000, 0.0000409500000000 ] - [ -0.0000371800000000, -0.0001823500000000, 0.0000375700000000 ] - [ -0.0000358600000000, -0.0000568700000000, 0.0000417900000000 ] - [ -0.0000761100000000, 0.0000049500000000, 0.0000632600000000 ] - [ -0.0000046700000000, 0.0000550500000000, 0.0002064600000000 ] - [ -0.0000215900000000, 0.0000069400000000, 0.0000612900000000 ] - [ -0.0000345500000000, 0.0000473800000000, 0.0000414400000000 ] - [ -0.0000349900000000, 0.0001315200000000, 0.0000418700000000 ] - [ -0.0000362600000000, 0.0000404200000000, 0.0000412400000000 ] - [ 0.0000070700000000, 0.0000049800000000, 0.0000188600000000 ] - [ -0.0000644200000000, 0.0000564100000000, -0.0001232700000000 ] - [ -0.0000493400000000, 0.0000069700000000, 0.0000225200000000 ]- atom: 49 displacement: [ -0.0001134853443869, 0.0000000000000000, 0.0099993560330958 ] forces: - [ -0.0001505400000000, 0.0001061500000000, 0.0002625300000000 ] - [ -0.0041248100000000, -0.0044825200000000, 0.0047218300000000 ] - [ 0.0000350200000000, 0.0000044100000000, 0.0001470900000000 ] - [ -0.0000428300000000, 0.0000271600000000, 0.0000889800000000 ] - [ -0.0001144300000000, 0.0002571300000000, 0.0003111800000000 ] - [ 0.0000183800000000, -0.0000104800000000, 0.0000955000000000 ] - [ -0.0000428300000000, -0.0000271600000000, 0.0000889800000000 ] - [ -0.0001144300000000, -0.0002571300000000, 0.0003111800000000 ] - [ 0.0000183800000000, 0.0000104800000000, 0.0000955000000000 ] - [ -0.0001505400000000, -0.0001061500000000, 0.0002625300000000 ] - [ -0.0041248100000000, 0.0044825200000000, 0.0047218300000000 ] - [ 0.0000350200000000, -0.0000044100000000, 0.0001470900000000 ] - [ 0.0000772500000000, -0.0000322600000000, -0.0001910900000000 ] - [ -0.0000672600000000, -0.0002935500000000, -0.0011060000000000 ] - [ -0.0000575700000000, -0.0000352800000000, -0.0001241100000000 ] - [ 0.0000336700000000, -0.0000374500000000, -0.0000922300000000 ] - [ 0.0000194400000000, -0.0001263900000000, -0.0002542800000000 ] - [ -0.0000014900000000, -0.0000186900000000, -0.0000731800000000 ] - [ 0.0000336700000000, 0.0000374500000000, -0.0000922300000000 ] - [ 0.0000194400000000, 0.0001263900000000, -0.0002542800000000 ] - [ -0.0000014900000000, 0.0000186900000000, -0.0000731800000000 ] - [ 0.0000772500000000, 0.0000322600000000, -0.0001910900000000 ] - [ -0.0000672600000000, 0.0002935500000000, -0.0011060000000000 ] - [ -0.0000575700000000, 0.0000352800000000, -0.0001241100000000 ] - [ -0.0001253600000000, 0.0000000000000000, -0.0002045000000000 ] - [ 0.0000614800000000, 0.0000000000000000, -0.0009979400000000 ] - [ 0.0000632000000000, 0.0000000000000000, -0.0001121500000000 ] - [ -0.0000463200000000, 0.0000431500000000, -0.0000714800000000 ] - [ 0.0000088000000000, 0.0003048600000000, -0.0005228800000000 ] - [ 0.0000576900000000, 0.0000259900000000, -0.0000663700000000 ] - [ -0.0000156400000000, 0.0000000000000000, -0.0000345700000000 ] - [ -0.0000097100000000, 0.0000000000000000, -0.0001006800000000 ] - [ 0.0000457400000000, 0.0000000000000000, -0.0000389100000000 ] - [ -0.0000463200000000, -0.0000431500000000, -0.0000714800000000 ] - [ 0.0000088000000000, -0.0003048600000000, -0.0005228800000000 ] - [ 0.0000576900000000, -0.0000259900000000, -0.0000663700000000 ] - [ 0.0001426100000000, 0.0000000000000000, 0.0000849100000000 ] - [ 0.0062838200000000, 0.0000000000000000, 0.0093887900000000 ] - [ -0.0000822600000000, 0.0000000000000000, 0.0000790100000000 ] - [ 0.0000615300000000, -0.0000787700000000, 0.0000533500000000 ] - [ -0.0000617200000000, -0.0007973700000000, 0.0003898300000000 ] - [ -0.0000551700000000, -0.0000627100000000, 0.0000434600000000 ] - [ 0.0000081500000000, 0.0000000000000000, 0.0000315000000000 ] - [ -0.0000173800000000, 0.0000000000000000, 0.0000974100000000 ] - [ -0.0000147700000000, 0.0000000000000000, 0.0000298900000000 ] - [ 0.0000615300000000, 0.0000787700000000, 0.0000533500000000 ] - [ -0.0000617200000000, 0.0007973700000000, 0.0003898300000000 ] - [ -0.0000551700000000, 0.0000627100000000, 0.0000434600000000 ] - [ 0.0012218700000000, 0.0000000000000000, -0.0229788700000000 ] - [ 0.0000398400000000, 0.0000000000000000, -0.0001328800000000 ] - [ 0.0000341400000000, 0.0000000000000000, -0.0001320800000000 ] - [ 0.0001256100000000, -0.0001854500000000, -0.0005826800000000 ] - [ 0.0000567000000000, 0.0000131800000000, -0.0001100800000000 ] - [ 0.0000328800000000, 0.0000006700000000, -0.0001095600000000 ] - [ 0.0000579400000000, 0.0000000000000000, -0.0001682600000000 ] - [ 0.0000315900000000, 0.0000000000000000, -0.0000769900000000 ] - [ 0.0000458600000000, 0.0000000000000000, -0.0000739200000000 ] - [ 0.0001256100000000, 0.0001854500000000, -0.0005826800000000 ] - [ 0.0000567000000000, -0.0000131800000000, -0.0001100800000000 ] - [ 0.0000328800000000, -0.0000006700000000, -0.0001095600000000 ] - [ 0.0000149000000000, 0.0000000000000000, 0.0003906600000000 ] - [ 0.0000774300000000, 0.0000000000000000, 0.0000511200000000 ] - [ 0.0000429600000000, 0.0000000000000000, 0.0000511500000000 ] - [ 0.0000337100000000, 0.0000659800000000, 0.0002691000000000 ] - [ 0.0000383200000000, 0.0000098800000000, 0.0000149500000000 ] - [ 0.0000340300000000, 0.0000049300000000, 0.0000163100000000 ] - [ 0.0000401200000000, 0.0000000000000000, 0.0000602000000000 ] - [ 0.0000288000000000, 0.0000000000000000, -0.0000055800000000 ] - [ 0.0000296200000000, 0.0000000000000000, -0.0000038900000000 ] - [ 0.0000337100000000, -0.0000659800000000, 0.0002691000000000 ] - [ 0.0000383200000000, -0.0000098800000000, 0.0000149500000000 ] - [ 0.0000340300000000, -0.0000049300000000, 0.0000163100000000 ] - [ -0.0001023500000000, -0.0002728200000000, 0.0004533900000000 ] - [ -0.0000962000000000, -0.0000166700000000, -0.0000345700000000 ] - [ 0.0000123100000000, -0.0000439500000000, -0.0000431600000000 ] - [ 0.0000061100000000, -0.0000929300000000, -0.0000236100000000 ] - [ -0.0000636100000000, -0.0000187800000000, -0.0000459200000000 ] - [ -0.0000115300000000, -0.0000144400000000, -0.0000436100000000 ] - [ 0.0000061100000000, 0.0000929300000000, -0.0000236100000000 ] - [ -0.0000636100000000, 0.0000187800000000, -0.0000459200000000 ] - [ -0.0000115300000000, 0.0000144400000000, -0.0000436100000000 ] - [ -0.0001023500000000, 0.0002728200000000, 0.0004533900000000 ] - [ -0.0000962000000000, 0.0000166700000000, -0.0000345700000000 ] - [ 0.0000123100000000, 0.0000439500000000, -0.0000431600000000 ] - [ 0.0001429000000000, 0.0015887000000000, 0.0015494700000000 ] - [ 0.0000536500000000, 0.0000247900000000, -0.0000470500000000 ] - [ -0.0000439900000000, 0.0000142600000000, -0.0000380800000000 ] - [ -0.0000159200000000, 0.0001384900000000, -0.0000518300000000 ] - [ -0.0000027300000000, 0.0000201800000000, -0.0000424400000000 ] - [ -0.0000315200000000, 0.0000246100000000, -0.0000517800000000 ] - [ -0.0000159200000000, -0.0001384900000000, -0.0000518300000000 ] - [ -0.0000027300000000, -0.0000201800000000, -0.0000424400000000 ] - [ -0.0000315200000000, -0.0000246100000000, -0.0000517800000000 ] - [ 0.0001429000000000, -0.0015887000000000, 0.0015494700000000 ] - [ 0.0000536500000000, -0.0000247900000000, -0.0000470500000000 ] - [ -0.0000439900000000, -0.0000142600000000, -0.0000380800000000 ] - [ -0.0001403300000000, 0.0001311700000000, 0.0000154700000000 ] - [ 0.0008057400000000, 0.0012264100000000, -0.0006882300000000 ] - [ 0.0000356500000000, 0.0000076800000000, 0.0000042600000000 ] - [ 0.0000210600000000, 0.0000175100000000, 0.0000112900000000 ] - [ 0.0000151800000000, 0.0000971700000000, -0.0000871800000000 ] - [ 0.0000275900000000, 0.0000126900000000, 0.0000232700000000 ] - [ 0.0000210600000000, -0.0000175100000000, 0.0000112900000000 ] - [ 0.0000151800000000, -0.0000971700000000, -0.0000871800000000 ] - [ 0.0000275900000000, -0.0000126900000000, 0.0000232700000000 ] - [ -0.0001403300000000, -0.0001311700000000, 0.0000154700000000 ] - [ 0.0008057400000000, -0.0012264100000000, -0.0006882300000000 ] - [ 0.0000356500000000, -0.0000076800000000, 0.0000042600000000 ] - [ 0.0000459300000000, -0.0000217500000000, 0.0001316200000000 ] - [ -0.0000053100000000, -0.0000221800000000, 0.0004606300000000 ] - [ 0.0000119800000000, 0.0000048600000000, 0.0001012800000000 ] - [ 0.0000275900000000, -0.0000091300000000, 0.0000847700000000 ] - [ 0.0000264600000000, -0.0000664900000000, 0.0001936100000000 ] - [ 0.0000079200000000, 0.0000004000000000, 0.0000778600000000 ] - [ 0.0000275900000000, 0.0000091300000000, 0.0000847700000000 ] - [ 0.0000264600000000, 0.0000664900000000, 0.0001936100000000 ] - [ 0.0000079200000000, -0.0000004000000000, 0.0000778600000000 ] - [ 0.0000459300000000, 0.0000217500000000, 0.0001316200000000 ] - [ -0.0000053100000000, 0.0000221800000000, 0.0004606300000000 ] - [ 0.0000119800000000, -0.0000048600000000, 0.0001012800000000 ] - [ 0.0002866100000000, 0.0000000000000000, 0.0001706500000000 ] - [ -0.0005555000000000, 0.0000000000000000, 0.0006200200000000 ] - [ -0.0000489500000000, 0.0000000000000000, 0.0000115000000000 ] - [ 0.0000245800000000, -0.0000305800000000, 0.0000280700000000 ] - [ -0.0004425400000000, -0.0008677300000000, 0.0006910600000000 ] - [ -0.0000448400000000, -0.0000026000000000, 0.0000125700000000 ] - [ -0.0000170000000000, 0.0000000000000000, 0.0000330200000000 ] - [ -0.0000288900000000, 0.0000000000000000, 0.0000250800000000 ] - [ -0.0000444900000000, 0.0000000000000000, 0.0000139900000000 ] - [ 0.0000245800000000, 0.0000305800000000, 0.0000280700000000 ] - [ -0.0004425400000000, 0.0008677300000000, 0.0006910600000000 ] - [ -0.0000448400000000, 0.0000026000000000, 0.0000125700000000 ] - [ -0.0001433600000000, 0.0000000000000000, 0.0000777500000000 ] - [ 0.0005255500000000, 0.0000000000000000, 0.0015101700000000 ] - [ -0.0000191900000000, 0.0000000000000000, 0.0000710300000000 ] - [ -0.0001059700000000, 0.0000231800000000, 0.0000680100000000 ] - [ 0.0000392400000000, 0.0001640200000000, 0.0001570200000000 ] - [ -0.0000273100000000, 0.0000197300000000, 0.0000650400000000 ] - [ -0.0000523100000000, 0.0000000000000000, 0.0000472800000000 ] - [ -0.0000321800000000, 0.0000000000000000, 0.0000752700000000 ] - [ -0.0000365300000000, 0.0000000000000000, 0.0000580500000000 ] - [ -0.0001059700000000, -0.0000231800000000, 0.0000680100000000 ] - [ 0.0000392400000000, -0.0001640200000000, 0.0001570200000000 ] - [ -0.0000273100000000, -0.0000197300000000, 0.0000650400000000 ]- atom: 49 displacement: [ 0.0001134853443869, 0.0000000000000000, -0.0099993560330958 ] forces: - [ 0.0001515100000000, -0.0001073900000000, -0.0002647100000000 ] - [ 0.0042080900000000, 0.0045864600000000, -0.0047474800000000 ] - [ -0.0000354000000000, -0.0000051200000000, -0.0001495800000000 ] - [ 0.0000435200000000, -0.0000254000000000, -0.0000875000000000 ] - [ 0.0001150900000000, -0.0002556500000000, -0.0003126500000000 ] - [ -0.0000186100000000, 0.0000109400000000, -0.0000955500000000 ] - [ 0.0000435200000000, 0.0000254000000000, -0.0000875000000000 ] - [ 0.0001150900000000, 0.0002556500000000, -0.0003126500000000 ] - [ -0.0000186100000000, -0.0000109400000000, -0.0000955500000000 ] - [ 0.0001515100000000, 0.0001073900000000, -0.0002647100000000 ] - [ 0.0042080900000000, -0.0045864600000000, -0.0047474800000000 ] - [ -0.0000354000000000, 0.0000051200000000, -0.0001495800000000 ] - [ -0.0000787100000000, 0.0000317800000000, 0.0001912400000000 ] - [ 0.0000683600000000, 0.0002934000000000, 0.0011038000000000 ] - [ 0.0000582200000000, 0.0000351800000000, 0.0001250600000000 ] - [ -0.0000327700000000, 0.0000373900000000, 0.0000918800000000 ] - [ -0.0000200700000000, 0.0001275000000000, 0.0002528800000000 ] - [ 0.0000029100000000, 0.0000182200000000, 0.0000719200000000 ] - [ -0.0000327700000000, -0.0000373900000000, 0.0000918800000000 ] - [ -0.0000200700000000, -0.0001275000000000, 0.0002528800000000 ] - [ 0.0000029100000000, -0.0000182200000000, 0.0000719200000000 ] - [ -0.0000787100000000, -0.0000317800000000, 0.0001912400000000 ] - [ 0.0000683600000000, -0.0002934000000000, 0.0011038000000000 ] - [ 0.0000582200000000, -0.0000351800000000, 0.0001250600000000 ] - [ 0.0001265800000000, 0.0000000000000000, 0.0002054800000000 ] - [ -0.0000594500000000, 0.0000000000000000, 0.0010010700000000 ] - [ -0.0000612200000000, 0.0000000000000000, 0.0001112600000000 ] - [ 0.0000465000000000, -0.0000431800000000, 0.0000696900000000 ] - [ -0.0000093400000000, -0.0003064000000000, 0.0005240400000000 ] - [ -0.0000586400000000, -0.0000263600000000, 0.0000662300000000 ] - [ 0.0000161000000000, 0.0000000000000000, 0.0000336400000000 ] - [ 0.0000079500000000, 0.0000000000000000, 0.0001035700000000 ] - [ -0.0000448400000000, 0.0000000000000000, 0.0000406100000000 ] - [ 0.0000465000000000, 0.0000431800000000, 0.0000696900000000 ] - [ -0.0000093400000000, 0.0003064000000000, 0.0005240400000000 ] - [ -0.0000586400000000, 0.0000263600000000, 0.0000662300000000 ] - [ -0.0001439500000000, 0.0000000000000000, -0.0000788900000000 ] - [ -0.0059714200000000, 0.0000000000000000, -0.0090200600000000 ] - [ 0.0000846600000000, 0.0000000000000000, -0.0000784500000000 ] - [ -0.0000622000000000, 0.0000801800000000, -0.0000502600000000 ] - [ 0.0000579600000000, 0.0008020400000000, -0.0003865500000000 ] - [ 0.0000573600000000, 0.0000647300000000, -0.0000432000000000 ] - [ -0.0000049100000000, 0.0000000000000000, -0.0000357500000000 ] - [ 0.0000160200000000, 0.0000000000000000, -0.0000954700000000 ] - [ 0.0000163800000000, 0.0000000000000000, -0.0000294100000000 ] - [ -0.0000622000000000, -0.0000801800000000, -0.0000502600000000 ] - [ 0.0000579600000000, -0.0008020400000000, -0.0003865500000000 ] - [ 0.0000573600000000, -0.0000647300000000, -0.0000432000000000 ] - [ -0.0016167700000000, 0.0000000000000000, 0.0225196500000000 ] - [ 0.0000307500000000, 0.0000000000000000, 0.0000483500000000 ] - [ 0.0000357700000000, 0.0000000000000000, 0.0000483900000000 ] - [ -0.0000510700000000, 0.0001826400000000, 0.0004968000000000 ] - [ 0.0000151500000000, -0.0000125900000000, 0.0000248800000000 ] - [ 0.0000375100000000, 0.0000007200000000, 0.0000249500000000 ] - [ 0.0000178100000000, 0.0000000000000000, 0.0000814500000000 ] - [ 0.0000399300000000, 0.0000000000000000, -0.0000102100000000 ] - [ 0.0000283000000000, 0.0000000000000000, -0.0000098800000000 ] - [ -0.0000510700000000, -0.0001826400000000, 0.0004968000000000 ] - [ 0.0000151500000000, 0.0000125900000000, 0.0000248800000000 ] - [ 0.0000375100000000, -0.0000007200000000, 0.0000249500000000 ] - [ 0.0000561700000000, 0.0000000000000000, -0.0004762300000000 ] - [ -0.0000019200000000, 0.0000000000000000, -0.0001363400000000 ] - [ 0.0000296800000000, 0.0000000000000000, -0.0001363100000000 ] - [ 0.0000409100000000, -0.0000652200000000, -0.0003534900000000 ] - [ 0.0000359600000000, -0.0000098600000000, -0.0001014500000000 ] - [ 0.0000394800000000, -0.0000046100000000, -0.0001014400000000 ] - [ 0.0000360400000000, 0.0000000000000000, -0.0001449800000000 ] - [ 0.0000449600000000, 0.0000000000000000, -0.0000817600000000 ] - [ 0.0000435500000000, 0.0000000000000000, -0.0000819600000000 ] - [ 0.0000409100000000, 0.0000652200000000, -0.0003534900000000 ] - [ 0.0000359600000000, 0.0000098600000000, -0.0001014500000000 ] - [ 0.0000394800000000, 0.0000046100000000, -0.0001014400000000 ] - [ 0.0000535700000000, 0.0002752700000000, -0.0005440600000000 ] - [ 0.0000490800000000, 0.0000168700000000, -0.0000581900000000 ] - [ -0.0000615900000000, 0.0000441100000000, -0.0000505600000000 ] - [ -0.0000523200000000, 0.0000939200000000, -0.0000682200000000 ] - [ 0.0000162500000000, 0.0000182200000000, -0.0000459200000000 ] - [ -0.0000380800000000, 0.0000147400000000, -0.0000487400000000 ] - [ -0.0000523200000000, -0.0000939200000000, -0.0000682200000000 ] - [ 0.0000162500000000, -0.0000182200000000, -0.0000459200000000 ] - [ -0.0000380800000000, -0.0000147400000000, -0.0000487400000000 ] - [ 0.0000535700000000, -0.0002752700000000, -0.0005440600000000 ] - [ 0.0000490800000000, -0.0000168700000000, -0.0000581900000000 ] - [ -0.0000615900000000, -0.0000441100000000, -0.0000505600000000 ] - [ -0.0001901500000000, -0.0015693200000000, -0.0016177100000000 ] - [ -0.0001057100000000, -0.0000237000000000, -0.0000438300000000 ] - [ -0.0000029000000000, -0.0000146000000000, -0.0000552300000000 ] - [ -0.0000290100000000, -0.0001376800000000, -0.0000403000000000 ] - [ -0.0000458500000000, -0.0000205500000000, -0.0000477900000000 ] - [ -0.0000175200000000, -0.0000246100000000, -0.0000400100000000 ] - [ -0.0000290100000000, 0.0001376800000000, -0.0000403000000000 ] - [ -0.0000458500000000, 0.0000205500000000, -0.0000477900000000 ] - [ -0.0000175200000000, 0.0000246100000000, -0.0000400100000000 ] - [ -0.0001901500000000, 0.0015693200000000, -0.0016177100000000 ] - [ -0.0001057100000000, 0.0000237000000000, -0.0000438300000000 ] - [ -0.0000029000000000, 0.0000146000000000, -0.0000552300000000 ] - [ 0.0001894100000000, -0.0001309100000000, 0.0000776300000000 ] - [ -0.0007551100000000, -0.0012279800000000, 0.0007735300000000 ] - [ 0.0000134900000000, -0.0000070000000000, 0.0000884700000000 ] - [ 0.0000245700000000, -0.0000168200000000, 0.0000819800000000 ] - [ 0.0000342700000000, -0.0000968100000000, 0.0001778800000000 ] - [ 0.0000209900000000, -0.0000121500000000, 0.0000684200000000 ] - [ 0.0000245700000000, 0.0000168200000000, 0.0000819800000000 ] - [ 0.0000342700000000, 0.0000968100000000, 0.0001778800000000 ] - [ 0.0000209900000000, 0.0000121500000000, 0.0000684200000000 ] - [ 0.0001894100000000, 0.0001309100000000, 0.0000776300000000 ] - [ -0.0007551100000000, 0.0012279800000000, 0.0007735300000000 ] - [ 0.0000134900000000, 0.0000070000000000, 0.0000884700000000 ] - [ 0.0000007400000000, 0.0000223600000000, -0.0000379200000000 ] - [ 0.0000534600000000, 0.0000227200000000, -0.0003680300000000 ] - [ 0.0000361300000000, -0.0000056700000000, -0.0000105000000000 ] - [ 0.0000193600000000, 0.0000087000000000, 0.0000081100000000 ] - [ 0.0000227600000000, 0.0000672900000000, -0.0001008500000000 ] - [ 0.0000402400000000, -0.0000007400000000, 0.0000130800000000 ] - [ 0.0000193600000000, -0.0000087000000000, 0.0000081100000000 ] - [ 0.0000227600000000, -0.0000672900000000, -0.0001008500000000 ] - [ 0.0000402400000000, 0.0000007400000000, 0.0000130800000000 ] - [ 0.0000007400000000, -0.0000223600000000, -0.0000379200000000 ] - [ 0.0000534600000000, -0.0000227200000000, -0.0003680300000000 ] - [ 0.0000361300000000, 0.0000056700000000, -0.0000105000000000 ] - [ -0.0003657800000000, 0.0000000000000000, -0.0000916500000000 ] - [ 0.0004820400000000, 0.0000000000000000, -0.0005316200000000 ] - [ -0.0000267500000000, 0.0000000000000000, 0.0000728200000000 ] - [ -0.0000981300000000, 0.0000307700000000, 0.0000559300000000 ] - [ 0.0003666000000000, 0.0008659100000000, -0.0006057700000000 ] - [ -0.0000274200000000, 0.0000028800000000, 0.0000732200000000 ] - [ -0.0000563400000000, 0.0000000000000000, 0.0000515900000000 ] - [ -0.0000470800000000, 0.0000000000000000, 0.0000607200000000 ] - [ -0.0000295700000000, 0.0000000000000000, 0.0000709700000000 ] - [ -0.0000981300000000, -0.0000307700000000, 0.0000559300000000 ] - [ 0.0003666000000000, -0.0008659100000000, -0.0006057700000000 ] - [ -0.0000274200000000, -0.0000028800000000, 0.0000732200000000 ] - [ 0.0000691800000000, 0.0000000000000000, 0.0000059700000000 ] - [ -0.0005955600000000, 0.0000000000000000, -0.0014157500000000 ] - [ -0.0000562500000000, 0.0000000000000000, 0.0000167400000000 ] - [ 0.0000319200000000, -0.0000228900000000, 0.0000168000000000 ] - [ -0.0001100900000000, -0.0001642900000000, -0.0000704200000000 ] - [ -0.0000483700000000, -0.0000189800000000, 0.0000227000000000 ] - [ -0.0000237000000000, 0.0000000000000000, 0.0000375700000000 ] - [ -0.0000423000000000, 0.0000000000000000, 0.0000103000000000 ] - [ -0.0000387200000000, 0.0000000000000000, 0.0000280800000000 ] - [ 0.0000319200000000, 0.0000228900000000, 0.0000168000000000 ] - [ -0.0001100900000000, 0.0001642900000000, -0.0000704200000000 ] - [ -0.0000483700000000, 0.0000189800000000, 0.0000227000000000 ]- atom: 73 displacement: [ 0.0099999724726832, 0.0000000000000000, -0.0000234637076704 ] forces: - [ -0.0003087200000000, 0.0000000000000000, 0.0002981600000000 ] - [ 0.0057715600000000, 0.0000000000000000, 0.0075772700000000 ] - [ -0.0001715600000000, 0.0000000000000000, -0.0000517200000000 ] - [ -0.0001140400000000, 0.0002203700000000, 0.0001679200000000 ] - [ 0.0004767300000000, -0.0001945700000000, -0.0001115300000000 ] - [ -0.0001168200000000, -0.0000510600000000, -0.0000305200000000 ] - [ -0.0000145100000000, 0.0000000000000000, 0.0000280000000000 ] - [ 0.0000813000000000, 0.0000000000000000, -0.0000149900000000 ] - [ -0.0000493500000000, 0.0000000000000000, -0.0000083700000000 ] - [ -0.0001140400000000, -0.0002203700000000, 0.0001679200000000 ] - [ 0.0004767300000000, 0.0001945700000000, -0.0001115300000000 ] - [ -0.0001168200000000, 0.0000510600000000, -0.0000305200000000 ] - [ -0.0000856500000000, 0.0000000000000000, -0.0002827800000000 ] - [ 0.0005928100000000, 0.0000000000000000, 0.0003647300000000 ] - [ -0.0001502600000000, 0.0000000000000000, 0.0000613500000000 ] - [ -0.0000175600000000, 0.0000695200000000, -0.0000759600000000 ] - [ 0.0002218200000000, 0.0000224100000000, 0.0000801100000000 ] - [ -0.0000909300000000, -0.0000507400000000, 0.0000479100000000 ] - [ -0.0000040000000000, 0.0000000000000000, -0.0000224800000000 ] - [ 0.0000618400000000, 0.0000000000000000, 0.0000111800000000 ] - [ -0.0000503000000000, 0.0000000000000000, 0.0000254100000000 ] - [ -0.0000175600000000, -0.0000695200000000, -0.0000759600000000 ] - [ 0.0002218200000000, -0.0000224100000000, 0.0000801100000000 ] - [ -0.0000909300000000, 0.0000507400000000, 0.0000479100000000 ] - [ -0.0002584300000000, -0.0002211300000000, -0.0001397100000000 ] - [ 0.0071045200000000, -0.0063117600000000, -0.0032676100000000 ] - [ -0.0001689200000000, 0.0000468100000000, -0.0000082200000000 ] - [ -0.0002584300000000, 0.0002211300000000, -0.0001397100000000 ] - [ 0.0071045200000000, 0.0063117600000000, -0.0032676100000000 ] - [ -0.0001689200000000, -0.0000468100000000, -0.0000082200000000 ] - [ -0.0000229400000000, 0.0000884900000000, -0.0000169400000000 ] - [ 0.0002474400000000, -0.0000430700000000, -0.0001006100000000 ] - [ -0.0000784500000000, -0.0000488700000000, 0.0000058700000000 ] - [ -0.0000229400000000, -0.0000884900000000, -0.0000169400000000 ] - [ 0.0002474400000000, 0.0000430700000000, -0.0001006100000000 ] - [ -0.0000784500000000, 0.0000488700000000, 0.0000058700000000 ] - [ -0.0000177100000000, -0.0000474200000000, 0.0000368700000000 ] - [ 0.0002249700000000, 0.0001177900000000, 0.0000394800000000 ] - [ -0.0000857000000000, 0.0000258200000000, -0.0000344800000000 ] - [ -0.0000177100000000, 0.0000474200000000, 0.0000368700000000 ] - [ 0.0002249700000000, -0.0001177900000000, 0.0000394800000000 ] - [ -0.0000857000000000, -0.0000258200000000, -0.0000344800000000 ] - [ -0.0000051800000000, 0.0000319700000000, 0.0000221000000000 ] - [ 0.0000571200000000, -0.0000178200000000, -0.0000157700000000 ] - [ -0.0000412300000000, -0.0000170100000000, -0.0000011200000000 ] - [ -0.0000051800000000, -0.0000319700000000, 0.0000221000000000 ] - [ 0.0000571200000000, 0.0000178200000000, -0.0000157700000000 ] - [ -0.0000412300000000, 0.0000170100000000, -0.0000011200000000 ] - [ -0.0002418000000000, -0.0000459600000000, -0.0001274800000000 ] - [ 0.0001080500000000, -0.0000120300000000, -0.0000073100000000 ] - [ 0.0000940600000000, 0.0000339500000000, -0.0001173300000000 ] - [ -0.0002418000000000, 0.0000459600000000, -0.0001274800000000 ] - [ 0.0001080500000000, 0.0000120300000000, -0.0000073100000000 ] - [ 0.0000940600000000, -0.0000339500000000, -0.0001173300000000 ] - [ -0.0000203800000000, 0.0000301300000000, -0.0000176500000000 ] - [ 0.0000569000000000, 0.0000142600000000, -0.0000313500000000 ] - [ 0.0000751600000000, -0.0000536000000000, -0.0000852800000000 ] - [ -0.0000203800000000, -0.0000301300000000, -0.0000176500000000 ] - [ 0.0000569000000000, -0.0000142600000000, -0.0000313500000000 ] - [ 0.0000751600000000, 0.0000536000000000, -0.0000852800000000 ] - [ -0.0003817800000000, 0.0001318000000000, 0.0001162500000000 ] - [ 0.0001322000000000, -0.0000249300000000, -0.0000658100000000 ] - [ 0.0001142300000000, 0.0000674900000000, 0.0000362200000000 ] - [ -0.0003817800000000, -0.0001318000000000, 0.0001162500000000 ] - [ 0.0001322000000000, 0.0000249300000000, -0.0000658100000000 ] - [ 0.0001142300000000, -0.0000674900000000, 0.0000362200000000 ] - [ -0.0000255500000000, 0.0000051400000000, -0.0000409300000000 ] - [ 0.0000669300000000, 0.0000171500000000, -0.0000517700000000 ] - [ 0.0000616200000000, -0.0000229600000000, -0.0000230000000000 ] - [ -0.0000255500000000, -0.0000051400000000, -0.0000409300000000 ] - [ 0.0000669300000000, -0.0000171500000000, -0.0000517700000000 ] - [ 0.0000616200000000, 0.0000229600000000, -0.0000230000000000 ] - [ -0.0254672600000000, 0.0000000000000000, -0.0010344300000000 ] - [ 0.0000678400000000, 0.0000000000000000, -0.0000496100000000 ] - [ 0.0000677300000000, 0.0000000000000000, -0.0000503800000000 ] - [ -0.0003825100000000, -0.0001175300000000, 0.0000595400000000 ] - [ 0.0000397200000000, 0.0000431000000000, -0.0000495100000000 ] - [ 0.0000397500000000, -0.0001038500000000, -0.0000263600000000 ] - [ -0.0000827100000000, 0.0000000000000000, -0.0000438000000000 ] - [ -0.0000064600000000, 0.0000000000000000, -0.0000396200000000 ] - [ -0.0000065800000000, 0.0000000000000000, -0.0000492100000000 ] - [ -0.0003825100000000, 0.0001175300000000, 0.0000595400000000 ] - [ 0.0000397200000000, -0.0000431000000000, -0.0000495100000000 ] - [ 0.0000397500000000, 0.0001038500000000, -0.0000263600000000 ] - [ -0.0001160200000000, 0.0000000000000000, -0.0000967700000000 ] - [ 0.0000164900000000, 0.0000000000000000, -0.0000469900000000 ] - [ 0.0000174100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000776100000000, -0.0000007700000000, -0.0000550700000000 ] - [ -0.0000077700000000, 0.0000176600000000, -0.0000513000000000 ] - [ -0.0000070600000000, -0.0000215900000000, -0.0000448600000000 ] - [ -0.0000482200000000, 0.0000000000000000, -0.0000416900000000 ] - [ -0.0000142100000000, 0.0000000000000000, -0.0000500500000000 ] - [ -0.0000153100000000, 0.0000000000000000, -0.0000515800000000 ] - [ -0.0000776100000000, 0.0000007700000000, -0.0000550700000000 ] - [ -0.0000077700000000, -0.0000176600000000, -0.0000513000000000 ] - [ -0.0000070600000000, 0.0000215900000000, -0.0000448600000000 ] - [ 0.0000347100000000, 0.0000000000000000, -0.0000343700000000 ] - [ 0.0002076700000000, 0.0000000000000000, 0.0005599500000000 ] - [ 0.0000794500000000, 0.0000000000000000, 0.0000626200000000 ] - [ 0.0000166600000000, -0.0000302100000000, 0.0000048200000000 ] - [ -0.0000272500000000, 0.0000278600000000, 0.0000721500000000 ] - [ 0.0000624100000000, 0.0000150800000000, 0.0000546900000000 ] - [ 0.0000139400000000, 0.0000000000000000, 0.0000380500000000 ] - [ 0.0000090300000000, 0.0000000000000000, 0.0000519100000000 ] - [ 0.0000502300000000, 0.0000000000000000, 0.0000462700000000 ] - [ 0.0000166600000000, 0.0000302100000000, 0.0000048200000000 ] - [ -0.0000272500000000, -0.0000278600000000, 0.0000721500000000 ] - [ 0.0000624100000000, -0.0000150800000000, 0.0000546900000000 ] - [ 0.0009972300000000, 0.0000000000000000, 0.0006634100000000 ] - [ 0.0021861400000000, 0.0000000000000000, -0.0025392100000000 ] - [ 0.0001004500000000, 0.0000000000000000, 0.0000354100000000 ] - [ 0.0000351100000000, -0.0000904800000000, 0.0000932900000000 ] - [ 0.0001073700000000, 0.0004282500000000, -0.0001672400000000 ] - [ 0.0000821200000000, 0.0000212700000000, 0.0000384000000000 ] - [ 0.0000189000000000, 0.0000000000000000, 0.0000623600000000 ] - [ -0.0000230800000000, 0.0000000000000000, 0.0000497800000000 ] - [ 0.0000566800000000, 0.0000000000000000, 0.0000423500000000 ] - [ 0.0000351100000000, 0.0000904800000000, 0.0000932900000000 ] - [ 0.0001073700000000, -0.0004282500000000, -0.0001672400000000 ] - [ 0.0000821200000000, -0.0000212700000000, 0.0000384000000000 ] - [ 0.0005472400000000, 0.0002611900000000, -0.0001108300000000 ] - [ 0.0006856800000000, -0.0010421100000000, 0.0008366300000000 ] - [ 0.0000374400000000, -0.0000151000000000, 0.0000572100000000 ] - [ 0.0005472400000000, -0.0002611900000000, -0.0001108300000000 ] - [ 0.0006856800000000, 0.0010421100000000, 0.0008366300000000 ] - [ 0.0000374400000000, 0.0000151000000000, 0.0000572100000000 ] - [ -0.0000465400000000, -0.0000477100000000, 0.0000447100000000 ] - [ -0.0001060300000000, 0.0000405300000000, 0.0000350700000000 ] - [ 0.0000069900000000, 0.0000150400000000, 0.0000489500000000 ] - [ -0.0000465400000000, 0.0000477100000000, 0.0000447100000000 ] - [ -0.0001060300000000, -0.0000405300000000, 0.0000350700000000 ] - [ 0.0000069900000000, -0.0000150400000000, 0.0000489500000000 ] - [ -0.0000498900000000, 0.0000319900000000, 0.0000678500000000 ] - [ -0.0001115000000000, -0.0000462500000000, 0.0000147100000000 ] - [ 0.0000134800000000, -0.0000115400000000, 0.0000343400000000 ] - [ -0.0000498900000000, -0.0000319900000000, 0.0000678500000000 ] - [ -0.0001115000000000, 0.0000462500000000, 0.0000147100000000 ] - [ 0.0000134800000000, 0.0000115400000000, 0.0000343400000000 ] - [ -0.0000482500000000, -0.0000168800000000, 0.0000499400000000 ] - [ -0.0000685700000000, -0.0000029700000000, 0.0000458900000000 ] - [ -0.0000039400000000, 0.0000114400000000, 0.0000296100000000 ] - [ -0.0000482500000000, 0.0000168800000000, 0.0000499400000000 ] - [ -0.0000685700000000, 0.0000029700000000, 0.0000458900000000 ] - [ -0.0000039400000000, -0.0000114400000000, 0.0000296100000000 ]- atom: 73 displacement: [ -0.0099999724726832, 0.0000000000000000, 0.0000234637076704 ] forces: - [ 0.0003106900000000, 0.0000000000000000, -0.0003015600000000 ] - [ -0.0057630400000000, 0.0000000000000000, -0.0074403400000000 ] - [ 0.0001717800000000, 0.0000000000000000, 0.0000515200000000 ] - [ 0.0001139700000000, -0.0002223000000000, -0.0001691900000000 ] - [ -0.0004771800000000, 0.0001973000000000, 0.0001134900000000 ] - [ 0.0001163900000000, 0.0000515400000000, 0.0000305900000000 ] - [ 0.0000135200000000, 0.0000000000000000, -0.0000281500000000 ] - [ -0.0000806100000000, 0.0000000000000000, 0.0000150600000000 ] - [ 0.0000493700000000, 0.0000000000000000, 0.0000083300000000 ] - [ 0.0001139700000000, 0.0002223000000000, -0.0001691900000000 ] - [ -0.0004771800000000, -0.0001973000000000, 0.0001134900000000 ] - [ 0.0001163900000000, -0.0000515400000000, 0.0000305900000000 ] - [ 0.0000841800000000, 0.0000000000000000, 0.0002857100000000 ] - [ -0.0005924500000000, 0.0000000000000000, -0.0003674300000000 ] - [ 0.0001509100000000, 0.0000000000000000, -0.0000611400000000 ] - [ 0.0000158800000000, -0.0000703100000000, 0.0000765900000000 ] - [ -0.0002212600000000, -0.0000210100000000, -0.0000807700000000 ] - [ 0.0000914900000000, 0.0000510300000000, -0.0000484500000000 ] - [ 0.0000034700000000, 0.0000000000000000, 0.0000222000000000 ] - [ -0.0000621500000000, 0.0000000000000000, -0.0000106000000000 ] - [ 0.0000510800000000, 0.0000000000000000, -0.0000263600000000 ] - [ 0.0000158800000000, 0.0000703100000000, 0.0000765900000000 ] - [ -0.0002212600000000, 0.0000210100000000, -0.0000807700000000 ] - [ 0.0000914900000000, -0.0000510300000000, -0.0000484500000000 ] - [ 0.0002586700000000, 0.0002236200000000, 0.0001403000000000 ] - [ -0.0070526200000000, 0.0061451500000000, 0.0031835400000000 ] - [ 0.0001694900000000, -0.0000477300000000, 0.0000094900000000 ] - [ 0.0002586700000000, -0.0002236200000000, 0.0001403000000000 ] - [ -0.0070526200000000, -0.0061451500000000, 0.0031835400000000 ] - [ 0.0001694900000000, 0.0000477300000000, 0.0000094900000000 ] - [ 0.0000223100000000, -0.0000894300000000, 0.0000164700000000 ] - [ -0.0002478000000000, 0.0000436300000000, 0.0001002600000000 ] - [ 0.0000791000000000, 0.0000491000000000, -0.0000053400000000 ] - [ 0.0000223100000000, 0.0000894300000000, 0.0000164700000000 ] - [ -0.0002478000000000, -0.0000436300000000, 0.0001002600000000 ] - [ 0.0000791000000000, -0.0000491000000000, -0.0000053400000000 ] - [ 0.0000178300000000, 0.0000485700000000, -0.0000386100000000 ] - [ -0.0002254000000000, -0.0001189100000000, -0.0000398500000000 ] - [ 0.0000871300000000, -0.0000264500000000, 0.0000341600000000 ] - [ 0.0000178300000000, -0.0000485700000000, -0.0000386100000000 ] - [ -0.0002254000000000, 0.0001189100000000, -0.0000398500000000 ] - [ 0.0000871300000000, 0.0000264500000000, 0.0000341600000000 ] - [ 0.0000048000000000, -0.0000315000000000, -0.0000221400000000 ] - [ -0.0000575400000000, 0.0000192100000000, 0.0000167500000000 ] - [ 0.0000412500000000, 0.0000175700000000, 0.0000008700000000 ] - [ 0.0000048000000000, 0.0000315000000000, -0.0000221400000000 ] - [ -0.0000575400000000, -0.0000192100000000, 0.0000167500000000 ] - [ 0.0000412500000000, -0.0000175700000000, 0.0000008700000000 ] - [ 0.0003196000000000, 0.0000475300000000, 0.0000459300000000 ] - [ -0.0000340700000000, 0.0000120700000000, -0.0000736800000000 ] - [ -0.0000204700000000, -0.0000343100000000, 0.0000380600000000 ] - [ 0.0003196000000000, -0.0000475300000000, 0.0000459300000000 ] - [ -0.0000340700000000, -0.0000120700000000, -0.0000736800000000 ] - [ -0.0000204700000000, 0.0000343100000000, 0.0000380600000000 ] - [ 0.0000965700000000, -0.0000302900000000, -0.0000631000000000 ] - [ 0.0000180100000000, -0.0000141500000000, -0.0000493600000000 ] - [ -0.0000011600000000, 0.0000547300000000, 0.0000055000000000 ] - [ 0.0000965700000000, 0.0000302900000000, -0.0000631000000000 ] - [ 0.0000180100000000, 0.0000141500000000, -0.0000493600000000 ] - [ -0.0000011600000000, -0.0000547300000000, 0.0000055000000000 ] - [ 0.0004591500000000, -0.0001288800000000, -0.0001922200000000 ] - [ -0.0000582000000000, 0.0000251000000000, -0.0000146700000000 ] - [ -0.0000406000000000, -0.0000683900000000, -0.0001177400000000 ] - [ 0.0004591500000000, 0.0001288800000000, -0.0001922200000000 ] - [ -0.0000582000000000, -0.0000251000000000, -0.0000146700000000 ] - [ -0.0000406000000000, 0.0000683900000000, -0.0001177400000000 ] - [ 0.0001015400000000, -0.0000052200000000, -0.0000393900000000 ] - [ 0.0000081200000000, -0.0000169100000000, -0.0000287400000000 ] - [ 0.0000130500000000, 0.0000230400000000, -0.0000575600000000 ] - [ 0.0001015400000000, 0.0000052200000000, -0.0000393900000000 ] - [ 0.0000081200000000, 0.0000169100000000, -0.0000287400000000 ] - [ 0.0000130500000000, -0.0000230400000000, -0.0000575600000000 ] - [ 0.0253353500000000, 0.0000000000000000, 0.0009952800000000 ] - [ -0.0001147900000000, 0.0000000000000000, -0.0000464700000000 ] - [ -0.0001166100000000, 0.0000000000000000, -0.0000453700000000 ] - [ 0.0003365300000000, 0.0001144200000000, -0.0001548800000000 ] - [ -0.0000873600000000, -0.0000432800000000, -0.0000460600000000 ] - [ -0.0000886500000000, 0.0001051600000000, -0.0000696200000000 ] - [ 0.0000361700000000, 0.0000000000000000, -0.0000515400000000 ] - [ -0.0000394700000000, 0.0000000000000000, -0.0000560800000000 ] - [ -0.0000412100000000, 0.0000000000000000, -0.0000460800000000 ] - [ 0.0003365300000000, -0.0001144200000000, -0.0001548800000000 ] - [ -0.0000873600000000, 0.0000432800000000, -0.0000460600000000 ] - [ -0.0000886500000000, -0.0001051600000000, -0.0000696200000000 ] - [ 0.0000694300000000, 0.0000000000000000, 0.0000014800000000 ] - [ -0.0000654000000000, 0.0000000000000000, -0.0000484100000000 ] - [ -0.0000653700000000, 0.0000000000000000, -0.0000963900000000 ] - [ 0.0000316400000000, 0.0000005400000000, -0.0000406800000000 ] - [ -0.0000401600000000, -0.0000175900000000, -0.0000443000000000 ] - [ -0.0000395400000000, 0.0000216900000000, -0.0000508600000000 ] - [ 0.0000032800000000, 0.0000000000000000, -0.0000540700000000 ] - [ -0.0000311600000000, 0.0000000000000000, -0.0000456200000000 ] - [ -0.0000326900000000, 0.0000000000000000, -0.0000439700000000 ] - [ 0.0000316400000000, -0.0000005400000000, -0.0000406800000000 ] - [ -0.0000401600000000, 0.0000175900000000, -0.0000443000000000 ] - [ -0.0000395400000000, -0.0000216900000000, -0.0000508600000000 ] - [ 0.0000117600000000, 0.0000000000000000, 0.0001313200000000 ] - [ -0.0001597400000000, 0.0000000000000000, -0.0004693200000000 ] - [ -0.0000326000000000, 0.0000000000000000, 0.0000331800000000 ] - [ 0.0000294900000000, 0.0000303500000000, 0.0000918600000000 ] - [ 0.0000747000000000, -0.0000280400000000, 0.0000230700000000 ] - [ -0.0000169000000000, -0.0000150700000000, 0.0000411500000000 ] - [ 0.0000306200000000, 0.0000000000000000, 0.0000582000000000 ] - [ 0.0000377500000000, 0.0000000000000000, 0.0000432000000000 ] - [ -0.0000028700000000, 0.0000000000000000, 0.0000490000000000 ] - [ 0.0000294900000000, -0.0000303500000000, 0.0000918600000000 ] - [ 0.0000747000000000, 0.0000280400000000, 0.0000230700000000 ] - [ -0.0000169000000000, 0.0000150700000000, 0.0000411500000000 ] - [ -0.0009785000000000, 0.0000000000000000, -0.0005866800000000 ] - [ -0.0021050700000000, 0.0000000000000000, 0.0026028900000000 ] - [ -0.0000529100000000, 0.0000000000000000, 0.0000600800000000 ] - [ 0.0000106700000000, 0.0000916000000000, 0.0000023200000000 ] - [ -0.0000607300000000, -0.0004311300000000, 0.0002644600000000 ] - [ -0.0000359900000000, -0.0000212000000000, 0.0000573300000000 ] - [ 0.0000276100000000, 0.0000000000000000, 0.0000332800000000 ] - [ 0.0000706900000000, 0.0000000000000000, 0.0000457800000000 ] - [ -0.0000101100000000, 0.0000000000000000, 0.0000531500000000 ] - [ 0.0000106700000000, -0.0000916000000000, 0.0000023200000000 ] - [ -0.0000607300000000, 0.0004311300000000, 0.0002644600000000 ] - [ -0.0000359900000000, 0.0000212000000000, 0.0000573300000000 ] - [ -0.0006371900000000, -0.0002699600000000, 0.0001958900000000 ] - [ -0.0007510300000000, 0.0010315500000000, -0.0007506000000000 ] - [ -0.0001129600000000, 0.0000151500000000, 0.0000234500000000 ] - [ -0.0006371900000000, 0.0002699600000000, 0.0001958900000000 ] - [ -0.0007510300000000, -0.0010315500000000, -0.0007506000000000 ] - [ -0.0001129600000000, -0.0000151500000000, 0.0000234500000000 ] - [ -0.0000282900000000, 0.0000485100000000, 0.0000354400000000 ] - [ 0.0000307800000000, -0.0000406300000000, 0.0000459400000000 ] - [ -0.0000828800000000, -0.0000149800000000, 0.0000316800000000 ] - [ -0.0000282900000000, -0.0000485100000000, 0.0000354400000000 ] - [ 0.0000307800000000, 0.0000406300000000, 0.0000459400000000 ] - [ -0.0000828800000000, 0.0000149800000000, 0.0000316800000000 ] - [ -0.0000254400000000, -0.0000325600000000, 0.0000120800000000 ] - [ 0.0000367800000000, 0.0000466000000000, 0.0000663200000000 ] - [ -0.0000896900000000, 0.0000117300000000, 0.0000462800000000 ] - [ -0.0000254400000000, 0.0000325600000000, 0.0000120800000000 ] - [ 0.0000367800000000, -0.0000466000000000, 0.0000663200000000 ] - [ -0.0000896900000000, -0.0000117300000000, 0.0000462800000000 ] - [ -0.0000275600000000, 0.0000169000000000, 0.0000303700000000 ] - [ -0.0000071200000000, 0.0000028700000000, 0.0000348100000000 ] - [ -0.0000726100000000, -0.0000113500000000, 0.0000512900000000 ] - [ -0.0000275600000000, -0.0000169000000000, 0.0000303700000000 ] - [ -0.0000071200000000, -0.0000028700000000, 0.0000348100000000 ] - [ -0.0000726100000000, 0.0000113500000000, 0.0000512900000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000002500000000, 0.0003670500000000, -0.0000010300000000 ] - [ -0.0000091500000000, 0.0019179900000000, -0.0000162200000000 ] - [ -0.0000013200000000, 0.0001890600000000, -0.0000009500000000 ] - [ 0.0001299800000000, -0.0000788500000000, -0.0001131200000000 ] - [ -0.0000534200000000, -0.0006284300000000, -0.0008929800000000 ] - [ -0.0001149800000000, -0.0000336100000000, -0.0000617900000000 ] - [ 0.0000008500000000, -0.0001923100000000, 0.0000010200000000 ] - [ 0.0000009300000000, -0.0004860000000000, 0.0000002400000000 ] - [ -0.0000016300000000, -0.0001243700000000, -0.0000011400000000 ] - [ -0.0001303200000000, -0.0000791700000000, 0.0001131700000000 ] - [ 0.0000542100000000, -0.0006305100000000, 0.0008900400000000 ] - [ 0.0001134400000000, -0.0000344600000000, 0.0000610900000000 ] - [ -0.0000011000000000, 0.0001581000000000, -0.0000021000000000 ] - [ -0.0000005600000000, 0.0009252400000000, -0.0000006500000000 ] - [ 0.0000007300000000, 0.0001124500000000, -0.0000001600000000 ] - [ 0.0000933300000000, -0.0000167400000000, 0.0000773700000000 ] - [ -0.0001196500000000, -0.0002820000000000, 0.0005765900000000 ] - [ -0.0000523200000000, 0.0000096400000000, 0.0000351700000000 ] - [ -0.0000000200000000, -0.0001237900000000, -0.0000014300000000 ] - [ 0.0000003800000000, -0.0004085300000000, 0.0000000000000000 ] - [ 0.0000004800000000, -0.0001318900000000, -0.0000019300000000 ] - [ -0.0000933100000000, -0.0000185600000000, -0.0000786000000000 ] - [ 0.0001216400000000, -0.0002837300000000, -0.0005738300000000 ] - [ 0.0000540000000000, 0.0000086200000000, -0.0000353800000000 ] - [ -0.0001537600000000, 0.0001781000000000, -0.0001340500000000 ] - [ -0.0044125800000000, 0.0070809800000000, 0.0020778400000000 ] - [ 0.0000672800000000, 0.0001478800000000, -0.0000138500000000 ] - [ 0.0001500200000000, 0.0001793300000000, 0.0001323700000000 ] - [ 0.0046381100000000, 0.0073307200000000, -0.0022317000000000 ] - [ -0.0000691400000000, 0.0001491700000000, 0.0000183500000000 ] - [ 0.0000804800000000, -0.0001729900000000, 0.0000211100000000 ] - [ -0.0001888700000000, -0.0010087300000000, 0.0001587400000000 ] - [ -0.0000712100000000, -0.0001476000000000, 0.0000070800000000 ] - [ -0.0000811300000000, -0.0001747000000000, -0.0000238300000000 ] - [ 0.0001901900000000, -0.0010047600000000, -0.0001596400000000 ] - [ 0.0000706600000000, -0.0001479600000000, -0.0000030200000000 ] - [ -0.0000371800000000, 0.0000873700000000, -0.0000168200000000 ] - [ 0.0000893400000000, 0.0002100100000000, 0.0001410400000000 ] - [ 0.0000459000000000, 0.0000697000000000, 0.0000547200000000 ] - [ 0.0000366400000000, 0.0000860400000000, 0.0000150200000000 ] - [ -0.0000896500000000, 0.0002127000000000, -0.0001402600000000 ] - [ -0.0000439500000000, 0.0000702700000000, -0.0000543800000000 ] - [ 0.0000243400000000, -0.0000861400000000, -0.0000000500000000 ] - [ -0.0000071400000000, -0.0002194100000000, -0.0000227700000000 ] - [ -0.0000225500000000, -0.0000683000000000, -0.0000170800000000 ] - [ -0.0000237400000000, -0.0000877600000000, 0.0000024800000000 ] - [ 0.0000072700000000, -0.0002227500000000, 0.0000249900000000 ] - [ 0.0000212900000000, -0.0000711300000000, 0.0000175300000000 ] - [ -0.0000476700000000, -0.0001801400000000, -0.0003141100000000 ] - [ -0.0000441500000000, -0.0000442500000000, -0.0000836100000000 ] - [ 0.0000492000000000, -0.0000574500000000, -0.0000552100000000 ] - [ 0.0001226700000000, -0.0001835200000000, 0.0002365600000000 ] - [ 0.0001187500000000, -0.0000442600000000, 0.0000068000000000 ] - [ 0.0000249000000000, -0.0000577700000000, -0.0000218000000000 ] - [ 0.0000210200000000, 0.0001981800000000, 0.0000555600000000 ] - [ 0.0000671900000000, 0.0000435400000000, -0.0000232900000000 ] - [ 0.0000193800000000, 0.0000640700000000, -0.0000202500000000 ] - [ 0.0000536900000000, 0.0001986800000000, -0.0001312400000000 ] - [ 0.0000082100000000, 0.0000435900000000, -0.0000534500000000 ] - [ 0.0000540800000000, 0.0000638200000000, -0.0000565300000000 ] - [ 0.0000019800000000, 0.0002108400000000, 0.0015358400000000 ] - [ 0.0000067900000000, -0.0000453400000000, -0.0000244200000000 ] - [ 0.0000524900000000, -0.0000533100000000, -0.0000145800000000 ] - [ 0.0000715100000000, 0.0002111300000000, -0.0016210400000000 ] - [ 0.0000668600000000, -0.0000457100000000, -0.0000522100000000 ] - [ 0.0000217100000000, -0.0000538500000000, -0.0000624500000000 ] - [ 0.0000230600000000, 0.0002117900000000, -0.0001768300000000 ] - [ 0.0000948500000000, 0.0000468800000000, -0.0000621000000000 ] - [ 0.0000184200000000, 0.0000511300000000, -0.0000593200000000 ] - [ 0.0000510500000000, 0.0002120400000000, 0.0000988400000000 ] - [ -0.0000204000000000, 0.0000467800000000, -0.0000145400000000 ] - [ 0.0000560600000000, 0.0000510700000000, -0.0000177900000000 ] - [ -0.0002289700000000, -0.0198552500000000, 0.0001234500000000 ] - [ -0.0000225300000000, -0.0001275700000000, -0.0000492400000000 ] - [ -0.0000227200000000, -0.0001278000000000, -0.0000493400000000 ] - [ 0.0000931600000000, 0.0015504300000000, 0.0001190200000000 ] - [ 0.0000827500000000, 0.0000264100000000, -0.0000694700000000 ] - [ -0.0000669600000000, 0.0000262800000000, -0.0000612700000000 ] - [ -0.0000241200000000, 0.0004783100000000, -0.0000489800000000 ] - [ -0.0000219900000000, 0.0000915300000000, -0.0000491000000000 ] - [ -0.0000237300000000, 0.0000917500000000, -0.0000492300000000 ] - [ -0.0001385800000000, 0.0015342100000000, -0.0002177100000000 ] - [ -0.0001280100000000, 0.0000262500000000, -0.0000292400000000 ] - [ 0.0000197000000000, 0.0000268600000000, -0.0000370600000000 ] - [ -0.0000232400000000, -0.0001957000000000, -0.0000496200000000 ] - [ -0.0000236700000000, -0.0000614300000000, -0.0000494000000000 ] - [ -0.0000222700000000, -0.0000614500000000, -0.0000494300000000 ] - [ -0.0000228400000000, 0.0000448700000000, -0.0001320800000000 ] - [ -0.0000019900000000, 0.0000046200000000, -0.0000500800000000 ] - [ -0.0000402600000000, 0.0000046600000000, -0.0000641300000000 ] - [ -0.0000223900000000, 0.0001370600000000, -0.0000496600000000 ] - [ -0.0000220900000000, 0.0000510100000000, -0.0000494600000000 ] - [ -0.0000227700000000, 0.0000510600000000, -0.0000491200000000 ] - [ -0.0000239500000000, 0.0000451000000000, 0.0000323000000000 ] - [ -0.0000447600000000, 0.0000049400000000, -0.0000487800000000 ] - [ -0.0000053100000000, 0.0000049000000000, -0.0000346600000000 ] - [ 0.0000234600000000, -0.0000839800000000, 0.0000489200000000 ] - [ 0.0000216800000000, -0.0000782200000000, 0.0000438500000000 ] - [ 0.0000231300000000, -0.0000651900000000, 0.0000495200000000 ] - [ -0.0000058100000000, 0.0000093300000000, 0.0000798800000000 ] - [ 0.0000509900000000, 0.0000371000000000, 0.0002115100000000 ] - [ 0.0000379500000000, 0.0000082500000000, 0.0000708500000000 ] - [ 0.0000221200000000, 0.0000635500000000, 0.0000492500000000 ] - [ 0.0000225400000000, 0.0001401500000000, 0.0000494800000000 ] - [ 0.0000237800000000, 0.0000456000000000, 0.0000491700000000 ] - [ 0.0000524400000000, 0.0000096600000000, 0.0000184500000000 ] - [ -0.0000046600000000, 0.0000377200000000, -0.0001125200000000 ] - [ 0.0000080500000000, 0.0000088200000000, 0.0000279100000000 ] - [ 0.0000255200000000, -0.0001789600000000, 0.0000505200000000 ] - [ 0.0000167400000000, -0.0017161700000000, 0.0000555500000000 ] - [ 0.0000235700000000, -0.0000626900000000, 0.0000493800000000 ] - [ -0.0000689500000000, 0.0000223200000000, 0.0000301500000000 ] - [ 0.0004519200000000, 0.0010517500000000, -0.0005393000000000 ] - [ 0.0000433200000000, -0.0000049300000000, 0.0000325600000000 ] - [ 0.0000239000000000, 0.0001025600000000, 0.0000493900000000 ] - [ 0.0000229200000000, 0.0004165100000000, 0.0000492600000000 ] - [ 0.0000230500000000, 0.0000726900000000, 0.0000494300000000 ] - [ 0.0001143400000000, 0.0000230800000000, 0.0000690100000000 ] - [ -0.0004052700000000, 0.0010467200000000, 0.0006355300000000 ] - [ 0.0000025600000000, -0.0000049600000000, 0.0000662500000000 ] - [ 0.0004071700000000, 0.0001000900000000, -0.0000858900000000 ] - [ -0.0014823500000000, 0.0004921200000000, -0.0012023600000000 ] - [ -0.0000485200000000, -0.0000482000000000, 0.0000314800000000 ] - [ -0.0004884700000000, 0.0001026400000000, 0.0001655300000000 ] - [ 0.0014160900000000, 0.0004889200000000, 0.0012840400000000 ] - [ -0.0000253600000000, -0.0000486600000000, 0.0000459100000000 ] - [ -0.0001073400000000, 0.0000738600000000, 0.0000548900000000 ] - [ 0.0000294400000000, 0.0002750000000000, 0.0001365900000000 ] - [ -0.0000236500000000, 0.0000481000000000, 0.0000505700000000 ] - [ 0.0000328500000000, 0.0000741900000000, 0.0000227700000000 ] - [ -0.0001042000000000, 0.0002749200000000, -0.0000584000000000 ] - [ -0.0000512900000000, 0.0000479900000000, 0.0000261600000000 ] - [ 0.0000182300000000, -0.0000429800000000, 0.0000614300000000 ] - [ -0.0000717900000000, -0.0001431900000000, 0.0000603000000000 ] - [ -0.0000429100000000, -0.0000319400000000, 0.0000325000000000 ] - [ -0.0000927000000000, -0.0000430900000000, 0.0000156600000000 ] - [ -0.0000014700000000, -0.0001442100000000, 0.0000162900000000 ] - [ -0.0000324100000000, -0.0000320200000000, 0.0000441400000000 ] - [ -0.0000630500000000, 0.0000422200000000, 0.0000293500000000 ] - [ -0.0000173200000000, 0.0001619700000000, -0.0000287400000000 ] - [ -0.0000356400000000, 0.0000314800000000, 0.0000395900000000 ] - [ -0.0000130700000000, 0.0000422900000000, 0.0000473400000000 ] - [ -0.0000584500000000, 0.0001620100000000, 0.0001049900000000 ] - [ -0.0000402400000000, 0.0000315900000000, 0.0000380600000000 ]- atom: 73 displacement: [ -0.0001134853443869, 0.0000000000000000, 0.0099993560330958 ] forces: - [ 0.0001916800000000, 0.0000000000000000, 0.0000265600000000 ] - [ 0.0067885600000000, 0.0000000000000000, 0.0109149500000000 ] - [ -0.0000917500000000, 0.0000000000000000, 0.0001157800000000 ] - [ 0.0000641000000000, -0.0000864100000000, 0.0000217000000000 ] - [ -0.0000662600000000, -0.0007055500000000, 0.0002013000000000 ] - [ -0.0000574600000000, -0.0000510300000000, 0.0000551500000000 ] - [ -0.0000006500000000, 0.0000000000000000, 0.0000377200000000 ] - [ -0.0000162300000000, 0.0000000000000000, 0.0000952900000000 ] - [ -0.0000101500000000, 0.0000000000000000, 0.0000308500000000 ] - [ 0.0000641000000000, 0.0000864100000000, 0.0000217000000000 ] - [ -0.0000662600000000, 0.0007055500000000, 0.0002013000000000 ] - [ -0.0000574600000000, 0.0000510300000000, 0.0000551500000000 ] - [ -0.0001013800000000, 0.0000000000000000, -0.0001261900000000 ] - [ 0.0001024800000000, 0.0000000000000000, -0.0013029400000000 ] - [ 0.0000918100000000, 0.0000000000000000, -0.0001659400000000 ] - [ -0.0000541500000000, 0.0000362500000000, -0.0000605000000000 ] - [ 0.0002086200000000, 0.0003921600000000, -0.0005411000000000 ] - [ 0.0000587600000000, 0.0000393900000000, -0.0000894400000000 ] - [ -0.0000136800000000, 0.0000000000000000, -0.0000353700000000 ] - [ 0.0000129700000000, 0.0000000000000000, -0.0001151600000000 ] - [ 0.0000309000000000, 0.0000000000000000, -0.0000413400000000 ] - [ -0.0000541500000000, -0.0000362500000000, -0.0000605000000000 ] - [ 0.0002086200000000, -0.0003921600000000, -0.0005411000000000 ] - [ 0.0000587600000000, -0.0000393900000000, -0.0000894400000000 ] - [ -0.0000357100000000, -0.0000626400000000, 0.0002181700000000 ] - [ -0.0023441800000000, 0.0022238100000000, 0.0036892800000000 ] - [ 0.0000489700000000, -0.0000232200000000, 0.0001192200000000 ] - [ -0.0000357100000000, 0.0000626400000000, 0.0002181700000000 ] - [ -0.0023441800000000, -0.0022238100000000, 0.0036892800000000 ] - [ 0.0000489700000000, 0.0000232200000000, 0.0001192200000000 ] - [ -0.0000370800000000, 0.0000178300000000, 0.0000556100000000 ] - [ -0.0000686400000000, 0.0001577800000000, 0.0001961400000000 ] - [ 0.0000105200000000, -0.0000093300000000, 0.0000596300000000 ] - [ -0.0000370800000000, -0.0000178300000000, 0.0000556100000000 ] - [ -0.0000686400000000, -0.0001577800000000, 0.0001961400000000 ] - [ 0.0000105200000000, 0.0000093300000000, 0.0000596300000000 ] - [ 0.0000437700000000, 0.0000350900000000, -0.0001322800000000 ] - [ 0.0000187900000000, 0.0004147400000000, -0.0007692300000000 ] - [ -0.0000586100000000, 0.0000408300000000, -0.0000813500000000 ] - [ 0.0000437700000000, -0.0000350900000000, -0.0001322800000000 ] - [ 0.0000187900000000, -0.0004147400000000, -0.0007692300000000 ] - [ -0.0000586100000000, -0.0000408300000000, -0.0000813500000000 ] - [ 0.0000216600000000, -0.0000336900000000, -0.0000556900000000 ] - [ 0.0000034000000000, -0.0000828100000000, -0.0001457800000000 ] - [ -0.0000041400000000, -0.0000168000000000, -0.0000408700000000 ] - [ 0.0000216600000000, 0.0000336900000000, -0.0000556900000000 ] - [ 0.0000034000000000, 0.0000828100000000, -0.0001457800000000 ] - [ -0.0000041400000000, 0.0000168000000000, -0.0000408700000000 ] - [ -0.0000233000000000, -0.0006019700000000, 0.0004565000000000 ] - [ 0.0001139400000000, -0.0000132400000000, -0.0000380700000000 ] - [ 0.0000143700000000, -0.0000169500000000, -0.0000298000000000 ] - [ -0.0000233000000000, 0.0006019700000000, 0.0004565000000000 ] - [ 0.0001139400000000, 0.0000132400000000, -0.0000380700000000 ] - [ 0.0000143700000000, 0.0000169500000000, -0.0000298000000000 ] - [ 0.0000319800000000, 0.0000901200000000, -0.0000217700000000 ] - [ 0.0000502800000000, 0.0000125700000000, -0.0000402600000000 ] - [ 0.0000250800000000, 0.0000223700000000, -0.0000422800000000 ] - [ 0.0000319800000000, -0.0000901200000000, -0.0000217700000000 ] - [ 0.0000502800000000, -0.0000125700000000, -0.0000402600000000 ] - [ 0.0000250800000000, -0.0000223700000000, -0.0000422800000000 ] - [ -0.0001167000000000, 0.0009016500000000, 0.0015263200000000 ] - [ -0.0000719400000000, 0.0000214000000000, -0.0000348000000000 ] - [ 0.0000598700000000, 0.0000233400000000, -0.0000457600000000 ] - [ -0.0001167000000000, -0.0009016500000000, 0.0015263200000000 ] - [ -0.0000719400000000, -0.0000214000000000, -0.0000348000000000 ] - [ 0.0000598700000000, -0.0000233400000000, -0.0000457600000000 ] - [ 0.0000485400000000, -0.0000764300000000, -0.0000481800000000 ] - [ 0.0000026900000000, -0.0000104700000000, -0.0000491400000000 ] - [ 0.0000463400000000, -0.0000084200000000, -0.0000414300000000 ] - [ 0.0000485400000000, 0.0000764300000000, -0.0000481800000000 ] - [ 0.0000026900000000, 0.0000104700000000, -0.0000491400000000 ] - [ 0.0000463400000000, 0.0000084200000000, -0.0000414300000000 ] - [ -0.0009957200000000, 0.0000000000000000, -0.0233558200000000 ] - [ -0.0000326900000000, 0.0000000000000000, -0.0001240300000000 ] - [ -0.0000311600000000, 0.0000000000000000, -0.0001242600000000 ] - [ 0.0000823800000000, -0.0001695200000000, -0.0004823200000000 ] - [ -0.0000080000000000, 0.0000118100000000, -0.0000964600000000 ] - [ -0.0000310700000000, 0.0000211300000000, -0.0000968300000000 ] - [ -0.0000232700000000, 0.0000000000000000, -0.0001132200000000 ] - [ -0.0000302300000000, 0.0000000000000000, -0.0000664900000000 ] - [ -0.0000203800000000, 0.0000000000000000, -0.0000662100000000 ] - [ 0.0000823800000000, 0.0001695200000000, -0.0004823200000000 ] - [ -0.0000080000000000, -0.0000118100000000, -0.0000964600000000 ] - [ -0.0000310700000000, -0.0000211300000000, -0.0000968300000000 ] - [ -0.0000756200000000, 0.0000000000000000, 0.0003944200000000 ] - [ 0.0000199200000000, 0.0000000000000000, 0.0000314400000000 ] - [ -0.0000283900000000, 0.0000000000000000, 0.0000309300000000 ] - [ -0.0000339200000000, 0.0000827600000000, 0.0001999200000000 ] - [ -0.0000253000000000, 0.0000145100000000, -0.0000029400000000 ] - [ -0.0000321400000000, 0.0000010300000000, -0.0000032100000000 ] - [ -0.0000216200000000, 0.0000000000000000, 0.0000186200000000 ] - [ -0.0000321700000000, 0.0000000000000000, -0.0000214200000000 ] - [ -0.0000307300000000, 0.0000000000000000, -0.0000213700000000 ] - [ -0.0000339200000000, -0.0000827600000000, 0.0001999200000000 ] - [ -0.0000253000000000, -0.0000145100000000, -0.0000029400000000 ] - [ -0.0000321400000000, -0.0000010300000000, -0.0000032100000000 ] - [ -0.0000545800000000, 0.0000000000000000, 0.0001094700000000 ] - [ 0.0005474400000000, 0.0000000000000000, 0.0020516300000000 ] - [ 0.0000425300000000, 0.0000000000000000, 0.0000506100000000 ] - [ -0.0000151600000000, 0.0000315100000000, 0.0000770400000000 ] - [ 0.0000534700000000, 0.0001625100000000, 0.0001232700000000 ] - [ 0.0000342800000000, 0.0000212500000000, 0.0000581200000000 ] - [ 0.0000186300000000, 0.0000000000000000, 0.0000508200000000 ] - [ 0.0000324600000000, 0.0000000000000000, 0.0000688400000000 ] - [ 0.0000264100000000, 0.0000000000000000, 0.0000541200000000 ] - [ -0.0000151600000000, -0.0000315100000000, 0.0000770400000000 ] - [ 0.0000534700000000, -0.0001625100000000, 0.0001232700000000 ] - [ 0.0000342800000000, -0.0000212500000000, 0.0000581200000000 ] - [ 0.0006376000000000, 0.0000000000000000, 0.0003423600000000 ] - [ -0.0025508700000000, 0.0000000000000000, 0.0018878900000000 ] - [ 0.0000150000000000, 0.0000000000000000, 0.0000279700000000 ] - [ 0.0000736700000000, -0.0000186400000000, 0.0000112200000000 ] - [ -0.0001891100000000, -0.0005941200000000, 0.0002470400000000 ] - [ 0.0000177600000000, -0.0000171600000000, 0.0000205600000000 ] - [ 0.0000429600000000, 0.0000000000000000, 0.0000364700000000 ] - [ 0.0000302700000000, 0.0000000000000000, 0.0000172100000000 ] - [ 0.0000220700000000, 0.0000000000000000, 0.0000296400000000 ] - [ 0.0000736700000000, 0.0000186400000000, 0.0000112200000000 ] - [ -0.0001891100000000, 0.0005941200000000, 0.0002470400000000 ] - [ 0.0000177600000000, 0.0000171600000000, 0.0000205600000000 ] - [ -0.0003091500000000, -0.0001332200000000, 0.0000085600000000 ] - [ 0.0005949000000000, -0.0008496900000000, -0.0006945900000000 ] - [ -0.0000360900000000, -0.0000015800000000, -0.0000004100000000 ] - [ -0.0003091500000000, 0.0001332200000000, 0.0000085600000000 ] - [ 0.0005949000000000, 0.0008496900000000, -0.0006945900000000 ] - [ -0.0000360900000000, 0.0000015800000000, -0.0000004100000000 ] - [ -0.0000307000000000, 0.0000146500000000, 0.0000065400000000 ] - [ -0.0000377700000000, 0.0000712900000000, -0.0000899300000000 ] - [ -0.0000322100000000, 0.0000101600000000, 0.0000201200000000 ] - [ -0.0000307000000000, -0.0000146500000000, 0.0000065400000000 ] - [ -0.0000377700000000, -0.0000712900000000, -0.0000899300000000 ] - [ -0.0000322100000000, -0.0000101600000000, 0.0000201200000000 ] - [ 0.0000041400000000, 0.0000060300000000, 0.0001270500000000 ] - [ -0.0000840500000000, 0.0000176500000000, 0.0004586000000000 ] - [ -0.0000389900000000, -0.0000038500000000, 0.0000993500000000 ] - [ 0.0000041400000000, -0.0000060300000000, 0.0001270500000000 ] - [ -0.0000840500000000, -0.0000176500000000, 0.0004586000000000 ] - [ -0.0000389900000000, 0.0000038500000000, 0.0000993500000000 ] - [ -0.0000281700000000, -0.0000046200000000, 0.0000807000000000 ] - [ -0.0000612700000000, -0.0000696800000000, 0.0001895700000000 ] - [ -0.0000472000000000, -0.0000054700000000, 0.0000758100000000 ] - [ -0.0000281700000000, 0.0000046200000000, 0.0000807000000000 ] - [ -0.0000612700000000, 0.0000696800000000, 0.0001895700000000 ] - [ -0.0000472000000000, 0.0000054700000000, 0.0000758100000000 ]- atom: 73 displacement: [ 0.0001134853443869, 0.0000000000000000, -0.0099993560330958 ] forces: - [ -0.0001893700000000, 0.0000000000000000, -0.0000276800000000 ] - [ -0.0065120000000000, 0.0000000000000000, -0.0105133800000000 ] - [ 0.0000897500000000, 0.0000000000000000, -0.0001160200000000 ] - [ -0.0000643700000000, 0.0000865200000000, -0.0000192500000000 ] - [ 0.0000646000000000, 0.0007035500000000, -0.0001961800000000 ] - [ 0.0000573000000000, 0.0000514500000000, -0.0000547400000000 ] - [ 0.0000018400000000, 0.0000000000000000, -0.0000359800000000 ] - [ 0.0000158400000000, 0.0000000000000000, -0.0000935800000000 ] - [ 0.0000092200000000, 0.0000000000000000, -0.0000307400000000 ] - [ -0.0000643700000000, -0.0000865200000000, -0.0000192500000000 ] - [ 0.0000646000000000, -0.0007035500000000, -0.0001961800000000 ] - [ 0.0000573000000000, -0.0000514500000000, -0.0000547400000000 ] - [ 0.0000989800000000, 0.0000000000000000, 0.0001250100000000 ] - [ -0.0001016900000000, 0.0000000000000000, 0.0012949200000000 ] - [ -0.0000897800000000, 0.0000000000000000, 0.0001632200000000 ] - [ 0.0000530600000000, -0.0000350700000000, 0.0000592600000000 ] - [ -0.0002083500000000, -0.0003911800000000, 0.0005376300000000 ] - [ -0.0000571600000000, -0.0000388300000000, 0.0000874400000000 ] - [ 0.0000132300000000, 0.0000000000000000, 0.0000344800000000 ] - [ -0.0000118000000000, 0.0000000000000000, 0.0001135800000000 ] - [ -0.0000288100000000, 0.0000000000000000, 0.0000381300000000 ] - [ 0.0000530600000000, 0.0000350700000000, 0.0000592600000000 ] - [ -0.0002083500000000, 0.0003911800000000, 0.0005376300000000 ] - [ -0.0000571600000000, 0.0000388300000000, 0.0000874400000000 ] - [ 0.0000370400000000, 0.0000625800000000, -0.0002171700000000 ] - [ 0.0023896400000000, -0.0022894000000000, -0.0036876800000000 ] - [ -0.0000492600000000, 0.0000223000000000, -0.0001177800000000 ] - [ 0.0000370400000000, -0.0000625800000000, -0.0002171700000000 ] - [ 0.0023896400000000, 0.0022894000000000, -0.0036876800000000 ] - [ -0.0000492600000000, -0.0000223000000000, -0.0001177800000000 ] - [ 0.0000372600000000, -0.0000182300000000, -0.0000553200000000 ] - [ 0.0000700300000000, -0.0001558700000000, -0.0001964600000000 ] - [ -0.0000097800000000, 0.0000105800000000, -0.0000579500000000 ] - [ 0.0000372600000000, 0.0000182300000000, -0.0000553200000000 ] - [ 0.0000700300000000, 0.0001558700000000, -0.0001964600000000 ] - [ -0.0000097800000000, -0.0000105800000000, -0.0000579500000000 ] - [ -0.0000417800000000, -0.0000344300000000, 0.0001278600000000 ] - [ -0.0000177200000000, -0.0004093400000000, 0.0007630500000000 ] - [ 0.0000586500000000, -0.0000421800000000, 0.0000811000000000 ] - [ -0.0000417800000000, 0.0000344300000000, 0.0001278600000000 ] - [ -0.0000177200000000, 0.0004093400000000, 0.0007630500000000 ] - [ 0.0000586500000000, 0.0000421800000000, 0.0000811000000000 ] - [ -0.0000209800000000, 0.0000351300000000, 0.0000564100000000 ] - [ -0.0000038900000000, 0.0000831200000000, 0.0001471100000000 ] - [ 0.0000041100000000, 0.0000162600000000, 0.0000412500000000 ] - [ -0.0000209800000000, -0.0000351300000000, 0.0000564100000000 ] - [ -0.0000038900000000, -0.0000831200000000, 0.0001471100000000 ] - [ 0.0000041100000000, -0.0000162600000000, 0.0000412500000000 ] - [ 0.0000969600000000, 0.0005988800000000, -0.0005439200000000 ] - [ -0.0000421100000000, 0.0000132600000000, -0.0000511300000000 ] - [ 0.0000560100000000, 0.0000170400000000, -0.0000581600000000 ] - [ 0.0000969600000000, -0.0005988800000000, -0.0005439200000000 ] - [ -0.0000421100000000, -0.0000132600000000, -0.0000511300000000 ] - [ 0.0000560100000000, -0.0000170400000000, -0.0000581600000000 ] - [ 0.0000410900000000, -0.0000894800000000, -0.0000682500000000 ] - [ 0.0000218900000000, -0.0000122900000000, -0.0000483700000000 ] - [ 0.0000459800000000, -0.0000219200000000, -0.0000463300000000 ] - [ 0.0000410900000000, 0.0000894800000000, -0.0000682500000000 ] - [ 0.0000218900000000, 0.0000122900000000, -0.0000483700000000 ] - [ 0.0000459800000000, 0.0000219200000000, -0.0000463300000000 ] - [ 0.0001893200000000, -0.0009190400000000, -0.0016355900000000 ] - [ 0.0001427200000000, -0.0000210700000000, -0.0000536200000000 ] - [ 0.0000104200000000, -0.0000231200000000, -0.0000426800000000 ] - [ 0.0001893200000000, 0.0009190400000000, -0.0016355900000000 ] - [ 0.0001427200000000, 0.0000210700000000, -0.0000536200000000 ] - [ 0.0000104200000000, 0.0000231200000000, -0.0000426800000000 ] - [ 0.0000249800000000, 0.0000765000000000, -0.0000394000000000 ] - [ 0.0000696000000000, 0.0000107700000000, -0.0000391100000000 ] - [ 0.0000253400000000, 0.0000084300000000, -0.0000466700000000 ] - [ 0.0000249800000000, -0.0000765000000000, -0.0000394000000000 ] - [ 0.0000696000000000, -0.0000107700000000, -0.0000391100000000 ] - [ 0.0000253400000000, -0.0000084300000000, -0.0000466700000000 ] - [ 0.0005853000000000, 0.0000000000000000, 0.0229192500000000 ] - [ -0.0000107400000000, 0.0000000000000000, 0.0000353200000000 ] - [ -0.0000156500000000, 0.0000000000000000, 0.0000347300000000 ] - [ -0.0001289300000000, 0.0001648500000000, 0.0003916700000000 ] - [ -0.0000377600000000, -0.0000117200000000, 0.0000077600000000 ] - [ -0.0000166400000000, -0.0000210300000000, 0.0000076900000000 ] - [ -0.0000202100000000, 0.0000000000000000, 0.0000249800000000 ] - [ -0.0000133300000000, 0.0000000000000000, -0.0000215800000000 ] - [ -0.0000254500000000, 0.0000000000000000, -0.0000225700000000 ] - [ -0.0001289300000000, -0.0001648500000000, 0.0003916700000000 ] - [ -0.0000377600000000, 0.0000117200000000, 0.0000077600000000 ] - [ -0.0000166400000000, 0.0000210300000000, 0.0000076900000000 ] - [ 0.0000300800000000, 0.0000000000000000, -0.0004799900000000 ] - [ -0.0000667500000000, 0.0000000000000000, -0.0001190800000000 ] - [ -0.0000178900000000, 0.0000000000000000, -0.0001193000000000 ] - [ -0.0000099500000000, -0.0000821100000000, -0.0002873400000000 ] - [ -0.0000210600000000, -0.0000141200000000, -0.0000851100000000 ] - [ -0.0000128500000000, -0.0000010700000000, -0.0000849700000000 ] - [ -0.0000208600000000, 0.0000000000000000, -0.0001061700000000 ] - [ -0.0000104500000000, 0.0000000000000000, -0.0000665100000000 ] - [ -0.0000158900000000, 0.0000000000000000, -0.0000667800000000 ] - [ -0.0000099500000000, 0.0000821100000000, -0.0002873400000000 ] - [ -0.0000210600000000, 0.0000141200000000, -0.0000851100000000 ] - [ -0.0000128500000000, 0.0000010700000000, -0.0000849700000000 ] - [ 0.0000989200000000, 0.0000000000000000, -0.0000208300000000 ] - [ -0.0004976900000000, 0.0000000000000000, -0.0019447700000000 ] - [ 0.0000037000000000, 0.0000000000000000, 0.0000385900000000 ] - [ 0.0000588700000000, -0.0000313800000000, 0.0000113700000000 ] - [ -0.0000071700000000, -0.0001612500000000, -0.0000356200000000 ] - [ 0.0000098200000000, -0.0000210900000000, 0.0000303900000000 ] - [ 0.0000223700000000, 0.0000000000000000, 0.0000369600000000 ] - [ 0.0000132600000000, 0.0000000000000000, 0.0000183400000000 ] - [ 0.0000205500000000, 0.0000000000000000, 0.0000343400000000 ] - [ 0.0000588700000000, 0.0000313800000000, 0.0000113700000000 ] - [ -0.0000071700000000, 0.0001612500000000, -0.0000356200000000 ] - [ 0.0000098200000000, 0.0000210900000000, 0.0000303900000000 ] - [ -0.0006035500000000, 0.0000000000000000, -0.0002590800000000 ] - [ 0.0026207200000000, 0.0000000000000000, -0.0018002800000000 ] - [ 0.0000327800000000, 0.0000000000000000, 0.0000595200000000 ] - [ -0.0000300800000000, 0.0000185700000000, 0.0000778900000000 ] - [ 0.0002319600000000, 0.0005900500000000, -0.0001569300000000 ] - [ 0.0000270800000000, 0.0000172000000000, 0.0000678700000000 ] - [ 0.0000022900000000, 0.0000000000000000, 0.0000523600000000 ] - [ 0.0000170100000000, 0.0000000000000000, 0.0000722100000000 ] - [ 0.0000238600000000, 0.0000000000000000, 0.0000584400000000 ] - [ -0.0000300800000000, -0.0000185700000000, 0.0000778900000000 ] - [ 0.0002319600000000, -0.0005900500000000, -0.0001569300000000 ] - [ 0.0000270800000000, -0.0000172000000000, 0.0000678700000000 ] - [ 0.0002347600000000, 0.0001320000000000, 0.0000785800000000 ] - [ -0.0006702800000000, 0.0008510300000000, 0.0007739700000000 ] - [ -0.0000349800000000, 0.0000015100000000, 0.0000887600000000 ] - [ 0.0002347600000000, -0.0001320000000000, 0.0000785800000000 ] - [ -0.0006702800000000, -0.0008510300000000, 0.0007739700000000 ] - [ -0.0000349800000000, -0.0000015100000000, 0.0000887600000000 ] - [ -0.0000410000000000, -0.0000144000000000, 0.0000813400000000 ] - [ -0.0000357100000000, -0.0000709900000000, 0.0001778500000000 ] - [ -0.0000399400000000, -0.0000100300000000, 0.0000683000000000 ] - [ -0.0000410000000000, 0.0000144000000000, 0.0000813400000000 ] - [ -0.0000357100000000, 0.0000709900000000, 0.0001778500000000 ] - [ -0.0000399400000000, 0.0000100300000000, 0.0000683000000000 ] - [ -0.0000766300000000, -0.0000057100000000, -0.0000382000000000 ] - [ 0.0000129500000000, -0.0000174700000000, -0.0003673300000000 ] - [ -0.0000338500000000, 0.0000043100000000, -0.0000098600000000 ] - [ -0.0000766300000000, 0.0000057100000000, -0.0000382000000000 ] - [ 0.0000129500000000, 0.0000174700000000, -0.0003673300000000 ] - [ -0.0000338500000000, -0.0000043100000000, -0.0000098600000000 ] - [ -0.0000452700000000, 0.0000045000000000, 0.0000082000000000 ] - [ -0.0000113100000000, 0.0000699000000000, -0.0001002700000000 ] - [ -0.0000265200000000, 0.0000056500000000, 0.0000136200000000 ] - [ -0.0000452700000000, -0.0000045000000000, 0.0000082000000000 ] - [ -0.0000113100000000, -0.0000699000000000, -0.0001002700000000 ] - [ -0.0000265200000000, -0.0000056500000000, 0.0000136200000000 ]