# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/6d23013a-93eb-4154-a58a-47536ae3ee24/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 CsNb2BiO7 / Pmc2_1 (26) / materials id 562854](https://mdr.nims.go.jp/datasets/ef483154-7d56-4f05-93a1-4db922219926) ## 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: "Pmc2_1" number: 26 Hall_symbol: "P 2c -2"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 11.429655159999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.415398999999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.500166140000000 ] # c points: - symbol: Cs # 1 coordinates: [ 0.500000000000000, 0.258747650000000, 0.242862110000000 ] mass: 132.905452 - symbol: Cs # 2 coordinates: [ 0.500000000000000, 0.741252350000000, 0.742862110000000 ] mass: 132.905452 - symbol: Nb # 3 coordinates: [ 0.794600050000000, 0.247540480000000, 0.754955880000000 ] mass: 92.906380 - symbol: Nb # 4 coordinates: [ 0.205399950000000, 0.752459520000000, 0.254955880000000 ] mass: 92.906380 - symbol: Nb # 5 coordinates: [ 0.794600050000000, 0.752459520000000, 0.254955880000000 ] mass: 92.906380 - symbol: Nb # 6 coordinates: [ 0.205399950000000, 0.247540480000000, 0.754955880000000 ] mass: 92.906380 - symbol: Bi # 7 coordinates: [ 0.000000000000000, 0.266436020000000, 0.194356220000000 ] mass: 208.980400 - symbol: Bi # 8 coordinates: [ 0.000000000000000, 0.733563980000000, 0.694356220000000 ] mass: 208.980400 - symbol: O # 9 coordinates: [ 0.813082330000000, 0.437752450000000, 0.079383230000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.847410290000000, 0.962524870000000, 0.981656630000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.361144800000000, 0.784503660000000, 0.247313660000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.152589710000000, 0.962524870000000, 0.981656630000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.152589710000000, 0.037475130000000, 0.481656630000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.000000000000000, 0.671504530000000, 0.293162900000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.638855200000000, 0.215496340000000, 0.747313660000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.813082330000000, 0.562247550000000, 0.579383230000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.000000000000000, 0.328495470000000, 0.793162900000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.186917670000000, 0.562247550000000, 0.579383230000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.638855200000000, 0.784503660000000, 0.247313660000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.361144800000000, 0.215496340000000, 0.747313660000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.186917670000000, 0.437752450000000, 0.079383230000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.847410290000000, 0.037475130000000, 0.481656630000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.087491703467981, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.184658600409684, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.181812689752677 ] # c*unit_cell: lattice: - [ 11.429655159999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.415399000000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.500166140000000 ] # c points: - symbol: Cs # 1 coordinates: [ 0.500000000000000, 0.258747650000000, 0.242862110000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 2 coordinates: [ 0.500000000000000, 0.741252350000000, 0.742862110000000 ] mass: 132.905452 reduced_to: 2 - symbol: Nb # 3 coordinates: [ 0.794600050000000, 0.247540480000000, 0.754955880000000 ] mass: 92.906380 reduced_to: 3 - symbol: Nb # 4 coordinates: [ 0.205399950000000, 0.752459520000000, 0.254955880000000 ] mass: 92.906380 reduced_to: 4 - symbol: Nb # 5 coordinates: [ 0.794600050000000, 0.752459520000000, 0.254955880000000 ] mass: 92.906380 reduced_to: 5 - symbol: Nb # 6 coordinates: [ 0.205399950000000, 0.247540480000000, 0.754955880000000 ] mass: 92.906380 reduced_to: 6 - symbol: Bi # 7 coordinates: [ 0.000000000000000, 0.266436020000000, 0.194356220000000 ] mass: 208.980400 reduced_to: 7 - symbol: Bi # 8 coordinates: [ 0.000000000000000, 0.733563980000000, 0.694356220000000 ] mass: 208.980400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.813082330000000, 0.437752450000000, 0.079383230000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.847410290000000, 0.962524870000000, 0.981656630000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.361144800000000, 0.784503660000000, 0.247313660000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.152589710000000, 0.962524870000000, 0.981656630000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.152589710000000, 0.037475130000000, 0.481656630000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.000000000000000, 0.671504530000000, 0.293162900000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.638855200000000, 0.215496340000000, 0.747313660000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.813082330000000, 0.562247550000000, 0.579383230000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.000000000000000, 0.328495470000000, 0.793162900000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.186917670000000, 0.562247550000000, 0.579383230000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.638855200000000, 0.784503660000000, 0.247313660000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.361144800000000, 0.215496340000000, 0.747313660000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.186917670000000, 0.437752450000000, 0.079383230000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.847410290000000, 0.037475130000000, 0.481656630000000 ] mass: 15.999400 reduced_to: 22supercell: lattice: - [ 11.429655159999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 16.246196999999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.000332280000000 ] # c points: - symbol: Cs # 1 coordinates: [ 0.500000000000000, 0.086249216666667, 0.121431055000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 2 coordinates: [ 0.500000000000000, 0.419582550000000, 0.121431055000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 3 coordinates: [ 0.500000000000000, 0.752915883333333, 0.121431055000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 4 coordinates: [ 0.500000000000000, 0.086249216666667, 0.621431055000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 5 coordinates: [ 0.500000000000000, 0.419582550000000, 0.621431055000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 6 coordinates: [ 0.500000000000000, 0.752915883333333, 0.621431055000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 7 coordinates: [ 0.500000000000000, 0.247084116666667, 0.371431055000000 ] mass: 132.905452 reduced_to: 7 - symbol: Cs # 8 coordinates: [ 0.500000000000000, 0.580417450000000, 0.371431055000000 ] mass: 132.905452 reduced_to: 7 - symbol: Cs # 9 coordinates: [ 0.500000000000000, 0.913750783333333, 0.371431055000000 ] mass: 132.905452 reduced_to: 7 - symbol: Cs # 10 coordinates: [ 0.500000000000000, 0.247084116666667, 0.871431055000000 ] mass: 132.905452 reduced_to: 7 - symbol: Cs # 11 coordinates: [ 0.500000000000000, 0.580417450000000, 0.871431055000000 ] mass: 132.905452 reduced_to: 7 - symbol: Cs # 12 coordinates: [ 0.500000000000000, 0.913750783333333, 0.871431055000000 ] mass: 132.905452 reduced_to: 7 - symbol: Nb # 13 coordinates: [ 0.794600050000000, 0.082513493333333, 0.377477940000000 ] mass: 92.906380 reduced_to: 13 - symbol: Nb # 14 coordinates: [ 0.794600050000000, 0.415846826666667, 0.377477940000000 ] mass: 92.906380 reduced_to: 13 - symbol: Nb # 15 coordinates: [ 0.794600050000000, 0.749180160000000, 0.377477940000000 ] mass: 92.906380 reduced_to: 13 - symbol: Nb # 16 coordinates: [ 0.794600050000000, 0.082513493333333, 0.877477940000000 ] mass: 92.906380 reduced_to: 13 - symbol: Nb # 17 coordinates: [ 0.794600050000000, 0.415846826666667, 0.877477940000000 ] mass: 92.906380 reduced_to: 13 - symbol: Nb # 18 coordinates: [ 0.794600050000000, 0.749180160000000, 0.877477940000000 ] mass: 92.906380 reduced_to: 13 - symbol: Nb # 19 coordinates: [ 0.205399950000000, 0.250819840000000, 0.127477940000000 ] mass: 92.906380 reduced_to: 19 - symbol: Nb # 20 coordinates: [ 0.205399950000000, 0.584153173333333, 0.127477940000000 ] mass: 92.906380 reduced_to: 19 - symbol: Nb # 21 coordinates: [ 0.205399950000000, 0.917486506666667, 0.127477940000000 ] mass: 92.906380 reduced_to: 19 - symbol: Nb # 22 coordinates: [ 0.205399950000000, 0.250819840000000, 0.627477940000000 ] mass: 92.906380 reduced_to: 19 - symbol: Nb # 23 coordinates: [ 0.205399950000000, 0.584153173333333, 0.627477940000000 ] mass: 92.906380 reduced_to: 19 - symbol: Nb # 24 coordinates: [ 0.205399950000000, 0.917486506666667, 0.627477940000000 ] mass: 92.906380 reduced_to: 19 - symbol: Nb # 25 coordinates: [ 0.794600050000000, 0.250819840000000, 0.127477940000000 ] mass: 92.906380 reduced_to: 25 - symbol: Nb # 26 coordinates: [ 0.794600050000000, 0.584153173333333, 0.127477940000000 ] mass: 92.906380 reduced_to: 25 - symbol: Nb # 27 coordinates: [ 0.794600050000000, 0.917486506666667, 0.127477940000000 ] mass: 92.906380 reduced_to: 25 - symbol: Nb # 28 coordinates: [ 0.794600050000000, 0.250819840000000, 0.627477940000000 ] mass: 92.906380 reduced_to: 25 - symbol: Nb # 29 coordinates: [ 0.794600050000000, 0.584153173333333, 0.627477940000000 ] mass: 92.906380 reduced_to: 25 - symbol: Nb # 30 coordinates: [ 0.794600050000000, 0.917486506666667, 0.627477940000000 ] mass: 92.906380 reduced_to: 25 - symbol: Nb # 31 coordinates: [ 0.205399950000000, 0.082513493333333, 0.377477940000000 ] mass: 92.906380 reduced_to: 31 - symbol: Nb # 32 coordinates: [ 0.205399950000000, 0.415846826666667, 0.377477940000000 ] mass: 92.906380 reduced_to: 31 - symbol: Nb # 33 coordinates: [ 0.205399950000000, 0.749180160000000, 0.377477940000000 ] mass: 92.906380 reduced_to: 31 - symbol: Nb # 34 coordinates: [ 0.205399950000000, 0.082513493333333, 0.877477940000000 ] mass: 92.906380 reduced_to: 31 - symbol: Nb # 35 coordinates: [ 0.205399950000000, 0.415846826666667, 0.877477940000000 ] mass: 92.906380 reduced_to: 31 - symbol: Nb # 36 coordinates: [ 0.205399950000000, 0.749180160000000, 0.877477940000000 ] mass: 92.906380 reduced_to: 31 - symbol: Bi # 37 coordinates: [ 0.000000000000000, 0.088812006666667, 0.097178110000000 ] mass: 208.980400 reduced_to: 37 - symbol: Bi # 38 coordinates: [ 0.000000000000000, 0.422145340000000, 0.097178110000000 ] mass: 208.980400 reduced_to: 37 - symbol: Bi # 39 coordinates: [ 0.000000000000000, 0.755478673333333, 0.097178110000000 ] mass: 208.980400 reduced_to: 37 - symbol: Bi # 40 coordinates: [ 0.000000000000000, 0.088812006666667, 0.597178110000000 ] mass: 208.980400 reduced_to: 37 - symbol: Bi # 41 coordinates: [ 0.000000000000000, 0.422145340000000, 0.597178110000000 ] mass: 208.980400 reduced_to: 37 - symbol: Bi # 42 coordinates: [ 0.000000000000000, 0.755478673333333, 0.597178110000000 ] mass: 208.980400 reduced_to: 37 - symbol: Bi # 43 coordinates: [ 0.000000000000000, 0.244521326666667, 0.347178110000000 ] mass: 208.980400 reduced_to: 43 - symbol: Bi # 44 coordinates: [ 0.000000000000000, 0.577854660000000, 0.347178110000000 ] mass: 208.980400 reduced_to: 43 - symbol: Bi # 45 coordinates: [ 0.000000000000000, 0.911187993333333, 0.347178110000000 ] mass: 208.980400 reduced_to: 43 - symbol: Bi # 46 coordinates: [ 0.000000000000000, 0.244521326666667, 0.847178110000000 ] mass: 208.980400 reduced_to: 43 - symbol: Bi # 47 coordinates: [ 0.000000000000000, 0.577854660000000, 0.847178110000000 ] mass: 208.980400 reduced_to: 43 - symbol: Bi # 48 coordinates: [ 0.000000000000000, 0.911187993333333, 0.847178110000000 ] mass: 208.980400 reduced_to: 43 - symbol: O # 49 coordinates: [ 0.813082330000000, 0.145917483333333, 0.039691615000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.813082330000000, 0.479250816666667, 0.039691615000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.813082330000000, 0.812584150000000, 0.039691615000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.813082330000000, 0.145917483333333, 0.539691615000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.813082330000000, 0.479250816666667, 0.539691615000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 54 coordinates: [ 0.813082330000000, 0.812584150000000, 0.539691615000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 55 coordinates: [ 0.847410290000000, 0.320841623333333, 0.490828315000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.847410290000000, 0.654174956666667, 0.490828315000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.847410290000000, 0.987508290000000, 0.490828315000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 58 coordinates: [ 0.847410290000000, 0.320841623333333, 0.990828315000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 59 coordinates: [ 0.847410290000000, 0.654174956666667, 0.990828315000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 60 coordinates: [ 0.847410290000000, 0.987508290000000, 0.990828315000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 61 coordinates: [ 0.361144800000000, 0.261501220000000, 0.123656830000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.361144800000000, 0.594834553333333, 0.123656830000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.361144800000000, 0.928167886666667, 0.123656830000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.361144800000000, 0.261501220000000, 0.623656830000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.361144800000000, 0.594834553333333, 0.623656830000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 66 coordinates: [ 0.361144800000000, 0.928167886666667, 0.623656830000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 67 coordinates: [ 0.152589710000000, 0.320841623333333, 0.490828315000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.152589710000000, 0.654174956666667, 0.490828315000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.152589710000000, 0.987508290000000, 0.490828315000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 70 coordinates: [ 0.152589710000000, 0.320841623333333, 0.990828315000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 71 coordinates: [ 0.152589710000000, 0.654174956666667, 0.990828315000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 72 coordinates: [ 0.152589710000000, 0.987508290000000, 0.990828315000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 73 coordinates: [ 0.152589710000000, 0.012491710000000, 0.240828315000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.152589710000000, 0.345825043333333, 0.240828315000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.152589710000000, 0.679158376666667, 0.240828315000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.152589710000000, 0.012491710000000, 0.740828315000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.152589710000000, 0.345825043333333, 0.740828315000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 78 coordinates: [ 0.152589710000000, 0.679158376666667, 0.740828315000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 79 coordinates: [ 0.000000000000000, 0.223834843333333, 0.146581450000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.000000000000000, 0.557168176666667, 0.146581450000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.000000000000000, 0.890501510000000, 0.146581450000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 82 coordinates: [ 0.000000000000000, 0.223834843333333, 0.646581450000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 83 coordinates: [ 0.000000000000000, 0.557168176666667, 0.646581450000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 84 coordinates: [ 0.000000000000000, 0.890501510000000, 0.646581450000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 85 coordinates: [ 0.638855200000000, 0.071832113333333, 0.373656830000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.638855200000000, 0.405165446666667, 0.373656830000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.638855200000000, 0.738498780000000, 0.373656830000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.638855200000000, 0.071832113333333, 0.873656830000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 89 coordinates: [ 0.638855200000000, 0.405165446666667, 0.873656830000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 90 coordinates: [ 0.638855200000000, 0.738498780000000, 0.873656830000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 91 coordinates: [ 0.813082330000000, 0.187415850000000, 0.289691615000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.813082330000000, 0.520749183333333, 0.289691615000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 93 coordinates: [ 0.813082330000000, 0.854082516666667, 0.289691615000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 94 coordinates: [ 0.813082330000000, 0.187415850000000, 0.789691615000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 95 coordinates: [ 0.813082330000000, 0.520749183333333, 0.789691615000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 96 coordinates: [ 0.813082330000000, 0.854082516666667, 0.789691615000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 97 coordinates: [ 0.000000000000000, 0.109498490000000, 0.396581450000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.000000000000000, 0.442831823333333, 0.396581450000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.000000000000000, 0.776165156666667, 0.396581450000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 100 coordinates: [ 0.000000000000000, 0.109498490000000, 0.896581450000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 101 coordinates: [ 0.000000000000000, 0.442831823333333, 0.896581450000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 102 coordinates: [ 0.000000000000000, 0.776165156666667, 0.896581450000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 103 coordinates: [ 0.186917670000000, 0.187415850000000, 0.289691615000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.186917670000000, 0.520749183333333, 0.289691615000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 105 coordinates: [ 0.186917670000000, 0.854082516666667, 0.289691615000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 106 coordinates: [ 0.186917670000000, 0.187415850000000, 0.789691615000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 107 coordinates: [ 0.186917670000000, 0.520749183333333, 0.789691615000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 108 coordinates: [ 0.186917670000000, 0.854082516666667, 0.789691615000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 109 coordinates: [ 0.638855200000000, 0.261501220000000, 0.123656830000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.638855200000000, 0.594834553333333, 0.123656830000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.638855200000000, 0.928167886666667, 0.123656830000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 112 coordinates: [ 0.638855200000000, 0.261501220000000, 0.623656830000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 113 coordinates: [ 0.638855200000000, 0.594834553333333, 0.623656830000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 114 coordinates: [ 0.638855200000000, 0.928167886666667, 0.623656830000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 115 coordinates: [ 0.361144800000000, 0.071832113333333, 0.373656830000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 116 coordinates: [ 0.361144800000000, 0.405165446666667, 0.373656830000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 117 coordinates: [ 0.361144800000000, 0.738498780000000, 0.373656830000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 118 coordinates: [ 0.361144800000000, 0.071832113333333, 0.873656830000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 119 coordinates: [ 0.361144800000000, 0.405165446666667, 0.873656830000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 120 coordinates: [ 0.361144800000000, 0.738498780000000, 0.873656830000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 121 coordinates: [ 0.186917670000000, 0.145917483333333, 0.039691615000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.186917670000000, 0.479250816666667, 0.039691615000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 123 coordinates: [ 0.186917670000000, 0.812584150000000, 0.039691615000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 124 coordinates: [ 0.186917670000000, 0.145917483333333, 0.539691615000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 125 coordinates: [ 0.186917670000000, 0.479250816666667, 0.539691615000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 126 coordinates: [ 0.186917670000000, 0.812584150000000, 0.539691615000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 127 coordinates: [ 0.847410290000000, 0.012491710000000, 0.240828315000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 128 coordinates: [ 0.847410290000000, 0.345825043333333, 0.240828315000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 129 coordinates: [ 0.847410290000000, 0.679158376666667, 0.240828315000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 130 coordinates: [ 0.847410290000000, 0.012491710000000, 0.740828315000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 131 coordinates: [ 0.847410290000000, 0.345825043333333, 0.740828315000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 132 coordinates: [ 0.847410290000000, 0.679158376666667, 0.740828315000000 ] mass: 15.999400 reduced_to: 127born_effective_charge:- # 1 (Cs) - [ 2.070617760000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.410269560000000, -0.017985700000000 ] - [ 0.000000000000000, -0.010392200000000, 1.344443570000000 ]- # 2 (Cs) - [ 2.070617760000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.410269560000000, 0.017985700000000 ] - [ 0.000000000000000, 0.010392200000000, 1.344443570000000 ]- # 3 (Nb) - [ 4.364753990000000, 0.234766740000000, -0.220932420000000 ] - [ -0.222365410000000, 7.230320190000000, 0.736738340000000 ] - [ 0.017747240000000, -0.382529300000000, 6.865221980000000 ]- # 4 (Nb) - [ 4.364753990000000, 0.234766740000000, 0.220932420000000 ] - [ -0.222365410000000, 7.230320190000000, -0.736738340000000 ] - [ -0.017747240000000, 0.382529300000000, 6.865221980000000 ]- # 5 (Nb) - [ 4.364753990000000, -0.234766740000000, -0.220932420000000 ] - [ 0.222365410000000, 7.230320190000000, -0.736738340000000 ] - [ 0.017747240000000, 0.382529300000000, 6.865221980000000 ]- # 6 (Nb) - [ 4.364753990000000, -0.234766740000000, 0.220932420000000 ] - [ 0.222365410000000, 7.230320190000000, 0.736738340000000 ] - [ -0.017747240000000, -0.382529300000000, 6.865221980000000 ]- # 7 (Bi) - [ 3.518936980000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 4.694564080000000, -0.468544140000000 ] - [ 0.000000000000000, -0.033849540000000, 4.593642260000000 ]- # 8 (Bi) - [ 3.518936980000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 4.694564080000000, 0.468544140000000 ] - [ 0.000000000000000, 0.033849540000000, 4.593642260000000 ]- # 9 (O) - [ -1.385464760000000, 0.542342670000000, -0.178905870000000 ] - [ 0.464859630000000, -3.856151040000000, -1.757831680000000 ] - [ -0.272990660000000, -1.872475360000000, -3.380410430000000 ]- # 10 (O) - [ -1.324347560000000, -0.097084620000000, 0.325987830000000 ] - [ -0.253627580000000, -3.934856590000000, 1.676028800000000 ] - [ 0.421484580000000, 1.503176440000000, -3.879483070000000 ]- # 11 (O) - [ -3.419145110000000, -0.229225000000000, -0.011170210000000 ] - [ -0.303367150000000, -1.129203030000000, 0.043179840000000 ] - [ -0.001746900000000, -0.022918330000000, -1.083809980000000 ]- # 12 (O) - [ -1.324347560000000, 0.097084620000000, -0.325987830000000 ] - [ 0.253627580000000, -3.934856590000000, 1.676028800000000 ] - [ -0.421484580000000, 1.503176440000000, -3.879483070000000 ]- # 13 (O) - [ -1.324347560000000, -0.097084620000000, -0.325987830000000 ] - [ -0.253627580000000, -3.934856590000000, -1.676028800000000 ] - [ -0.421484580000000, -1.503176440000000, -3.879483070000000 ]- # 14 (O) - [ -2.061147880000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -2.725052670000000, -0.529152740000000 ] - [ 0.000000000000000, -0.972595130000000, -2.981122820000000 ]- # 15 (O) - [ -3.419145110000000, -0.229225000000000, 0.011170210000000 ] - [ -0.303367150000000, -1.129203030000000, -0.043179840000000 ] - [ 0.001746900000000, 0.022918330000000, -1.083809980000000 ]- # 16 (O) - [ -1.385464760000000, -0.542342670000000, -0.178905870000000 ] - [ -0.464859630000000, -3.856151040000000, 1.757831680000000 ] - [ -0.272990660000000, 1.872475360000000, -3.380410430000000 ]- # 17 (O) - [ -2.061147880000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -2.725052670000000, 0.529152740000000 ] - [ 0.000000000000000, 0.972595130000000, -2.981122820000000 ]- # 18 (O) - [ -1.385464760000000, 0.542342670000000, 0.178905870000000 ] - [ 0.464859630000000, -3.856151040000000, 1.757831680000000 ] - [ 0.272990660000000, 1.872475360000000, -3.380410430000000 ]- # 19 (O) - [ -3.419145110000000, 0.229225000000000, 0.011170210000000 ] - [ 0.303367150000000, -1.129203030000000, 0.043179840000000 ] - [ 0.001746900000000, -0.022918330000000, -1.083809980000000 ]- # 20 (O) - [ -3.419145110000000, 0.229225000000000, -0.011170210000000 ] - [ 0.303367150000000, -1.129203030000000, -0.043179840000000 ] - [ -0.001746900000000, 0.022918330000000, -1.083809980000000 ]- # 21 (O) - [ -1.385464760000000, -0.542342670000000, 0.178905870000000 ] - [ -0.464859630000000, -3.856151040000000, -1.757831680000000 ] - [ 0.272990660000000, -1.872475360000000, -3.380410430000000 ]- # 22 (O) - [ -1.324347560000000, 0.097084620000000, 0.325987830000000 ] - [ 0.253627580000000, -3.934856590000000, -1.676028800000000 ] - [ 0.421484580000000, -1.503176440000000, -3.879483070000000 ]dielectric_constant: - [ 4.439805170000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 5.543901440000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 5.372593480000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0098770000000000, -0.0006527300000000, 0.0003744600000000 ] - [ -0.0003625600000000, 0.0001458000000000, -0.0001530200000000 ] - [ -0.0003619800000000, 0.0001476600000000, -0.0001536400000000 ] - [ -0.0006009000000000, 0.0001464700000000, -0.0001551900000000 ] - [ -0.0001254200000000, 0.0001462900000000, -0.0001544300000000 ] - [ -0.0001258000000000, 0.0001469600000000, -0.0001540100000000 ] - [ -0.0014390100000000, -0.0001433600000000, -0.0001616600000000 ] - [ -0.0000993200000000, -0.0001334900000000, -0.0001528000000000 ] - [ -0.0014075400000000, -0.0001247600000000, -0.0001607500000000 ] - [ -0.0014389500000000, -0.0001407100000000, -0.0001465100000000 ] - [ -0.0000994800000000, -0.0001325500000000, -0.0001547100000000 ] - [ -0.0014077300000000, -0.0001268300000000, -0.0001464800000000 ] - [ 0.0038423400000000, -0.0002424400000000, -0.0043992900000000 ] - [ -0.0008991700000000, 0.0002769100000000, -0.0072526500000000 ] - [ -0.0007426000000000, -0.0011153000000000, -0.0074208700000000 ] - [ 0.0046914000000000, -0.0000070700000000, -0.0116781700000000 ] - [ -0.0008730900000000, 0.0005241400000000, -0.0080858300000000 ] - [ -0.0006842000000000, -0.0009675600000000, -0.0083854800000000 ] - [ 0.0057256200000000, -0.0039311800000000, -0.0078478800000000 ] - [ 0.0008217100000000, 0.0003601100000000, -0.0076921600000000 ] - [ 0.0068706600000000, 0.0043099100000000, -0.0079444700000000 ] - [ 0.0010380300000000, -0.0006689400000000, -0.0073287300000000 ] - [ 0.0008233000000000, 0.0003593800000000, -0.0076599000000000 ] - [ 0.0008465000000000, 0.0013085200000000, -0.0077160100000000 ] - [ 0.0040601900000000, 0.0046410800000000, -0.0075449300000000 ] - [ -0.0008603900000000, 0.0003048400000000, -0.0077060400000000 ] - [ 0.0051972100000000, -0.0036867500000000, -0.0074480300000000 ] - [ -0.0006470200000000, 0.0013316400000000, -0.0080724600000000 ] - [ -0.0008589500000000, 0.0003045400000000, -0.0077392300000000 ] - [ -0.0008392900000000, -0.0006473400000000, -0.0076840500000000 ] - [ 0.0055267200000000, -0.0003977200000000, -0.0109627200000000 ] - [ 0.0007855700000000, -0.0009120700000000, -0.0081436300000000 ] - [ 0.0009422100000000, 0.0004792300000000, -0.0079767700000000 ] - [ 0.0063519400000000, -0.0006314700000000, -0.0037630600000000 ] - [ 0.0008102400000000, -0.0011578700000000, -0.0073145000000000 ] - [ 0.0009995900000000, 0.0003314400000000, -0.0070123000000000 ] - [ 0.0048743000000000, -0.0054028400000000, 0.0022186000000000 ] - [ 0.0008974100000000, -0.0053999500000000, 0.0022183900000000 ] - [ 0.0012242900000000, -0.0054004000000000, 0.0022182000000000 ] - [ 0.0016040900000000, -0.0054000200000000, 0.0022174200000000 ] - [ 0.0004734800000000, -0.0054010000000000, 0.0022183000000000 ] - [ 0.0005171700000000, -0.0054005900000000, 0.0022185000000000 ] - [ 0.0024382300000000, 0.0054147100000000, 0.0022206800000000 ] - [ 0.0003738000000000, 0.0054147300000000, 0.0022184300000000 ] - [ 0.0020555700000000, 0.0054106200000000, 0.0022190800000000 ] - [ 0.0019166000000000, 0.0054149000000000, 0.0022151000000000 ] - [ 0.0003778900000000, 0.0054147100000000, 0.0022185000000000 ] - [ 0.0016383600000000, 0.0054115800000000, 0.0022158700000000 ] - [ -0.0030823400000000, -0.0018798300000000, 0.0048262000000000 ] - [ -0.0002030100000000, -0.0011702300000000, 0.0043572900000000 ] - [ -0.0006770400000000, 0.0004889500000000, 0.0052332600000000 ] - [ -0.0006133700000000, -0.0014938000000000, 0.0036194800000000 ] - [ -0.0001752400000000, -0.0010887700000000, 0.0043448200000000 ] - [ -0.0002495600000000, -0.0006931400000000, 0.0044979800000000 ] - [ -0.0004802300000000, 0.0003370400000000, 0.0041515500000000 ] - [ -0.0002967000000000, 0.0006690900000000, 0.0038840200000000 ] - [ -0.0007053300000000, 0.0012335700000000, 0.0033053600000000 ] - [ -0.0008575600000000, -0.0006230700000000, 0.0050340300000000 ] - [ -0.0003013600000000, 0.0007151300000000, 0.0039482300000000 ] - [ -0.0015395100000000, 0.0008034500000000, 0.0046067000000000 ] - [ -0.0006498300000000, 0.0008433300000000, 0.0000388100000000 ] - [ 0.0001981600000000, 0.0005550000000000, 0.0001462400000000 ] - [ -0.0004435100000000, 0.0020179500000000, 0.0001907600000000 ] - [ 0.0003316400000000, 0.0006497600000000, 0.0001165600000000 ] - [ 0.0001740500000000, 0.0005547200000000, 0.0001482600000000 ] - [ 0.0002937500000000, 0.0004476600000000, 0.0001414700000000 ] - [ -0.0002110900000000, 0.0007362300000000, 0.0037979600000000 ] - [ -0.0000256000000000, 0.0004057300000000, 0.0040657300000000 ] - [ -0.0004354500000000, -0.0001590600000000, 0.0046433300000000 ] - [ -0.0005864600000000, 0.0016920300000000, 0.0029191400000000 ] - [ -0.0000309300000000, 0.0003590200000000, 0.0040022800000000 ] - [ -0.0012631800000000, 0.0002812800000000, 0.0033455100000000 ] - [ -0.0016495500000000, -0.0009737700000000, 0.0044833700000000 ] - [ -0.0004084200000000, 0.0004091100000000, 0.0047150000000000 ] - [ -0.0000708200000000, -0.0006703400000000, 0.0038410800000000 ] - [ -0.0006422300000000, -0.0013648000000000, 0.0029267400000000 ] - [ -0.0001102300000000, -0.0002958200000000, 0.0039627100000000 ] - [ -0.0000551900000000, -0.0006715400000000, 0.0038209100000000 ] - [ -0.0017515100000000, 0.0021313800000000, -0.0039230400000000 ] - [ -0.0001501100000000, 0.0021320900000000, -0.0039208600000000 ] - [ -0.0015173200000000, 0.0021339500000000, -0.0039208100000000 ] - [ -0.0006023700000000, 0.0021330200000000, -0.0039208300000000 ] - [ -0.0001596100000000, 0.0021325400000000, -0.0039213600000000 ] - [ -0.0003982800000000, 0.0021333500000000, -0.0039207200000000 ] - [ -0.0009913100000000, -0.0007128600000000, 0.0000178900000000 ] - [ 0.0000130300000000, -0.0005866700000000, 0.0001033000000000 ] - [ 0.0000327700000000, -0.0004827500000000, 0.0001415800000000 ] - [ -0.0009661000000000, -0.0008410800000000, 0.0000810900000000 ] - [ 0.0000104500000000, -0.0005976200000000, 0.0002170000000000 ] - [ 0.0000136900000000, -0.0004928300000000, 0.0002265800000000 ] - [ -0.0015592600000000, 0.0001172300000000, 0.0037527900000000 ] - [ -0.0001510300000000, 0.0008648600000000, 0.0044928000000000 ] - [ -0.0006641100000000, 0.0019222800000000, 0.0033952700000000 ] - [ -0.0007723300000000, -0.0002264500000000, 0.0053395700000000 ] - [ -0.0001890600000000, 0.0008192500000000, 0.0045483400000000 ] - [ -0.0003721200000000, 0.0011677000000000, 0.0043845400000000 ] - [ -0.0014359200000000, -0.0021192700000000, -0.0039221100000000 ] - [ -0.0002405300000000, -0.0021197200000000, -0.0039212100000000 ] - [ -0.0003267900000000, -0.0021183000000000, -0.0039212000000000 ] - [ -0.0018699700000000, -0.0021198000000000, -0.0039192900000000 ] - [ -0.0002703400000000, -0.0021205600000000, -0.0039207300000000 ] - [ -0.0004260900000000, -0.0021186900000000, -0.0039215800000000 ] - [ -0.0014886800000000, 0.0019587900000000, 0.0051896500000000 ] - [ -0.0000871500000000, 0.0012125200000000, 0.0044587400000000 ] - [ -0.0006011100000000, 0.0001584000000000, 0.0055567900000000 ] - [ -0.0007084000000000, 0.0023018000000000, 0.0036167100000000 ] - [ -0.0001246200000000, 0.0012570700000000, 0.0044036600000000 ] - [ -0.0003088000000000, 0.0009118200000000, 0.0045662300000000 ] - [ -0.0008466900000000, 0.0002922000000000, 0.0002704700000000 ] - [ -0.0000283300000000, 0.0005557300000000, 0.0001639300000000 ] - [ -0.0006127200000000, -0.0010034200000000, 0.0001191700000000 ] - [ 0.0001103300000000, 0.0004599800000000, 0.0001933400000000 ] - [ -0.0000536700000000, 0.0005556800000000, 0.0001611700000000 ] - [ 0.0000722300000000, 0.0006626300000000, 0.0001683500000000 ] - [ -0.0008096400000000, -0.0003732000000000, 0.0003410400000000 ] - [ 0.0002382100000000, -0.0004956300000000, 0.0002067600000000 ] - [ 0.0002565500000000, -0.0006013900000000, 0.0001686700000000 ] - [ -0.0007717600000000, -0.0002444600000000, 0.0001881200000000 ] - [ 0.0002349100000000, -0.0004853000000000, 0.0000923100000000 ] - [ 0.0002392300000000, -0.0005913900000000, 0.0000825000000000 ] - [ -0.0030030200000000, -0.0001829000000000, 0.0041288000000000 ] - [ -0.0001396200000000, -0.0008826300000000, 0.0045934500000000 ] - [ -0.0006140800000000, -0.0025404200000000, 0.0037167800000000 ] - [ -0.0005504200000000, -0.0005566000000000, 0.0053319400000000 ] - [ -0.0001113100000000, -0.0009629400000000, 0.0046062300000000 ] - [ -0.0001860000000000, -0.0013571700000000, 0.0044535600000000 ] - [ -0.0019298600000000, -0.0000662000000000, 0.0034550900000000 ] - [ -0.0006788200000000, -0.0014612200000000, 0.0032327300000000 ] - [ -0.0003412200000000, -0.0003782300000000, 0.0041094600000000 ] - [ -0.0009130500000000, 0.0003185500000000, 0.0050261800000000 ] - [ -0.0003803500000000, -0.0007528300000000, 0.0039885500000000 ] - [ -0.0003258400000000, -0.0003764600000000, 0.0041286500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0243188400000000, 0.0003450100000000 ] - [ 0.0000000000000000, 0.0011596900000000, -0.0001628400000000 ] - [ 0.0000000000000000, 0.0011531800000000, -0.0001617100000000 ] - [ 0.0000000000000000, -0.0005473600000000, -0.0001617800000000 ] - [ 0.0000000000000000, 0.0004967500000000, -0.0001578400000000 ] - [ 0.0000000000000000, 0.0004966500000000, -0.0001589000000000 ] - [ 0.0000000000000000, 0.0026515900000000, 0.0041467800000000 ] - [ 0.0000000000000000, 0.0002695700000000, -0.0001498500000000 ] - [ 0.0000000000000000, 0.0016007600000000, -0.0033905000000000 ] - [ 0.0000000000000000, 0.0026497900000000, -0.0044938500000000 ] - [ 0.0000000000000000, 0.0002709300000000, -0.0001553200000000 ] - [ 0.0000000000000000, 0.0016020700000000, 0.0030909900000000 ] - [ -0.0006860300000000, -0.0037386800000000, -0.0078879700000000 ] - [ -0.0002979600000000, 0.0009820700000000, -0.0070330300000000 ] - [ -0.0013405400000000, 0.0012501900000000, -0.0082750100000000 ] - [ -0.0008473600000000, -0.0039371400000000, -0.0082287200000000 ] - [ -0.0002577400000000, 0.0011409500000000, -0.0082602300000000 ] - [ -0.0014143200000000, 0.0010213000000000, -0.0067277800000000 ] - [ -0.0065676200000000, 0.0008263700000000, -0.0077496000000000 ] - [ 0.0008211500000000, 0.0020524400000000, -0.0078355100000000 ] - [ 0.0089902100000000, 0.0010618200000000, -0.0076613300000000 ] - [ 0.0000522600000000, -0.0003170900000000, -0.0076866000000000 ] - [ 0.0007959200000000, 0.0017204900000000, -0.0078551500000000 ] - [ 0.0015667900000000, -0.0004844300000000, -0.0075854100000000 ] - [ 0.0065676200000000, 0.0008263700000000, -0.0077496000000000 ] - [ -0.0008211500000000, 0.0020524400000000, -0.0078355100000000 ] - [ -0.0089902100000000, 0.0010618200000000, -0.0076613300000000 ] - [ -0.0000522600000000, -0.0003170900000000, -0.0076866000000000 ] - [ -0.0007959200000000, 0.0017204900000000, -0.0078551500000000 ] - [ -0.0015667900000000, -0.0004844300000000, -0.0075854100000000 ] - [ 0.0006860300000000, -0.0037386800000000, -0.0078879700000000 ] - [ 0.0002979600000000, 0.0009820700000000, -0.0070330300000000 ] - [ 0.0013405400000000, 0.0012501900000000, -0.0082750100000000 ] - [ 0.0008473600000000, -0.0039371400000000, -0.0082287200000000 ] - [ 0.0002577400000000, 0.0011409500000000, -0.0082602300000000 ] - [ 0.0014143200000000, 0.0010213000000000, -0.0067277800000000 ] - [ 0.0000000000000000, -0.0081669600000000, 0.0025432300000000 ] - [ 0.0000000000000000, -0.0043082000000000, 0.0021318200000000 ] - [ 0.0000000000000000, -0.0041374100000000, 0.0021824100000000 ] - [ 0.0000000000000000, -0.0063149400000000, 0.0023109700000000 ] - [ 0.0000000000000000, -0.0049381900000000, 0.0022165200000000 ] - [ 0.0000000000000000, -0.0049452900000000, 0.0020743000000000 ] - [ 0.0000000000000000, 0.0051716900000000, 0.0029058400000000 ] - [ 0.0000000000000000, 0.0063452700000000, 0.0023084600000000 ] - [ 0.0000000000000000, 0.0048889800000000, 0.0013480900000000 ] - [ 0.0000000000000000, 0.0049202800000000, 0.0015798700000000 ] - [ 0.0000000000000000, 0.0063693400000000, 0.0023045500000000 ] - [ 0.0000000000000000, 0.0050565700000000, 0.0028497100000000 ] - [ -0.0012741300000000, 0.0012304100000000, 0.0060241000000000 ] - [ 0.0000549700000000, -0.0019262700000000, 0.0041212900000000 ] - [ 0.0004141700000000, -0.0025644100000000, 0.0034382000000000 ] - [ -0.0001157500000000, -0.0002771200000000, 0.0048511800000000 ] - [ -0.0000179800000000, -0.0017226700000000, 0.0040267000000000 ] - [ 0.0000284000000000, -0.0010383000000000, 0.0046307100000000 ] - [ -0.0001780200000000, 0.0004039600000000, 0.0038094800000000 ] - [ -0.0001006200000000, -0.0001960600000000, 0.0044081500000000 ] - [ -0.0001468800000000, 0.0013816800000000, 0.0037247200000000 ] - [ -0.0007618500000000, -0.0006482300000000, 0.0051603000000000 ] - [ -0.0001825200000000, -0.0003503800000000, 0.0042658500000000 ] - [ 0.0006868100000000, 0.0026596900000000, 0.0022436000000000 ] - [ 0.0042074800000000, 0.0008952700000000, 0.0001214000000000 ] - [ 0.0000013700000000, 0.0001138000000000, 0.0001634500000000 ] - [ -0.0023501200000000, 0.0043485200000000, 0.0002188500000000 ] - [ 0.0009090700000000, 0.0006399100000000, 0.0001552900000000 ] - [ 0.0000435500000000, 0.0002905300000000, 0.0001624400000000 ] - [ -0.0005198200000000, 0.0007347100000000, 0.0001435500000000 ] - [ 0.0001780200000000, 0.0004039600000000, 0.0038094800000000 ] - [ 0.0001006200000000, -0.0001960600000000, 0.0044081500000000 ] - [ 0.0001468800000000, 0.0013816800000000, 0.0037247200000000 ] - [ 0.0007618500000000, -0.0006482300000000, 0.0051603000000000 ] - [ 0.0001825200000000, -0.0003503800000000, 0.0042658500000000 ] - [ -0.0006868100000000, 0.0026596900000000, 0.0022436000000000 ] - [ -0.0003427700000000, 0.0013755500000000, 0.0054309500000000 ] - [ 0.0004831100000000, -0.0014776900000000, 0.0030985400000000 ] - [ 0.0000842100000000, -0.0014116900000000, 0.0036531500000000 ] - [ 0.0002098200000000, 0.0003298500000000, 0.0043024300000000 ] - [ 0.0002406700000000, -0.0005261600000000, 0.0041399200000000 ] - [ -0.0000051600000000, -0.0013328200000000, 0.0035216500000000 ] - [ 0.0000000000000000, 0.0029161200000000, -0.0041020500000000 ] - [ 0.0000000000000000, 0.0014822400000000, -0.0040477900000000 ] - [ 0.0000000000000000, 0.0018118100000000, -0.0035962100000000 ] - [ 0.0000000000000000, 0.0024920600000000, -0.0037199800000000 ] - [ 0.0000000000000000, 0.0016894400000000, -0.0039944600000000 ] - [ 0.0000000000000000, 0.0021817100000000, -0.0040964400000000 ] - [ -0.0001402100000000, 0.0008636400000000, -0.0001557800000000 ] - [ -0.0006549700000000, -0.0010525800000000, 0.0000075500000000 ] - [ 0.0001754200000000, -0.0009393300000000, 0.0002516500000000 ] - [ -0.0001561600000000, 0.0009250600000000, 0.0005329300000000 ] - [ -0.0006645600000000, -0.0010637100000000, 0.0002779800000000 ] - [ 0.0001947200000000, -0.0009213200000000, 0.0000175700000000 ] - [ -0.0005424300000000, 0.0026077100000000, 0.0029146800000000 ] - [ -0.0001430900000000, 0.0001911400000000, 0.0048488200000000 ] - [ 0.0003294900000000, 0.0000453000000000, 0.0056958000000000 ] - [ 0.0000236000000000, 0.0018883400000000, 0.0042828600000000 ] - [ -0.0001782500000000, 0.0001944800000000, 0.0049102400000000 ] - [ 0.0000351500000000, 0.0010786700000000, 0.0042131200000000 ] - [ 0.0000000000000000, -0.0013028300000000, -0.0041083200000000 ] - [ 0.0000000000000000, -0.0025983700000000, -0.0039579800000000 ] - [ 0.0000000000000000, -0.0024656600000000, -0.0036701800000000 ] - [ 0.0000000000000000, -0.0013303700000000, -0.0038603100000000 ] - [ 0.0000000000000000, -0.0026777300000000, -0.0036974300000000 ] - [ 0.0000000000000000, -0.0022798600000000, -0.0041488200000000 ] - [ 0.0005424300000000, 0.0026077100000000, 0.0029146800000000 ] - [ 0.0001430900000000, 0.0001911400000000, 0.0048488200000000 ] - [ -0.0003294900000000, 0.0000453000000000, 0.0056958000000000 ] - [ -0.0000236000000000, 0.0018883400000000, 0.0042828600000000 ] - [ 0.0001782500000000, 0.0001944800000000, 0.0049102400000000 ] - [ -0.0000351500000000, 0.0010786700000000, 0.0042131200000000 ] - [ -0.0042074800000000, 0.0008952700000000, 0.0001214000000000 ] - [ -0.0000013700000000, 0.0001138000000000, 0.0001634500000000 ] - [ 0.0023501200000000, 0.0043485200000000, 0.0002188500000000 ] - [ -0.0009090700000000, 0.0006399100000000, 0.0001552900000000 ] - [ -0.0000435500000000, 0.0002905300000000, 0.0001624400000000 ] - [ 0.0005198200000000, 0.0007347100000000, 0.0001435500000000 ] - [ 0.0001402100000000, 0.0008636400000000, -0.0001557800000000 ] - [ 0.0006549700000000, -0.0010525800000000, 0.0000075500000000 ] - [ -0.0001754200000000, -0.0009393300000000, 0.0002516500000000 ] - [ 0.0001561600000000, 0.0009250600000000, 0.0005329300000000 ] - [ 0.0006645600000000, -0.0010637100000000, 0.0002779800000000 ] - [ -0.0001947200000000, -0.0009213200000000, 0.0000175700000000 ] - [ 0.0012741300000000, 0.0012304100000000, 0.0060241000000000 ] - [ -0.0000549700000000, -0.0019262700000000, 0.0041212900000000 ] - [ -0.0004141700000000, -0.0025644100000000, 0.0034382000000000 ] - [ 0.0001157500000000, -0.0002771200000000, 0.0048511800000000 ] - [ 0.0000179800000000, -0.0017226700000000, 0.0040267000000000 ] - [ -0.0000284000000000, -0.0010383000000000, 0.0046307100000000 ] - [ 0.0003427700000000, 0.0013755500000000, 0.0054309500000000 ] - [ -0.0004831100000000, -0.0014776900000000, 0.0030985400000000 ] - [ -0.0000842100000000, -0.0014116900000000, 0.0036531500000000 ] - [ -0.0002098200000000, 0.0003298500000000, 0.0043024300000000 ] - [ -0.0002406700000000, -0.0005261600000000, 0.0041399200000000 ] - [ 0.0000051600000000, -0.0013328200000000, 0.0035216500000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0262603300000000, -0.0006607000000000 ] - [ 0.0000000000000000, -0.0008866900000000, -0.0001340100000000 ] - [ 0.0000000000000000, -0.0008934100000000, -0.0001368400000000 ] - [ 0.0000000000000000, 0.0008159500000000, -0.0001379900000000 ] - [ 0.0000000000000000, -0.0002306700000000, -0.0001418500000000 ] - [ 0.0000000000000000, -0.0002315300000000, -0.0001393700000000 ] - [ 0.0000000000000000, -0.0029116800000000, -0.0043793900000000 ] - [ 0.0000000000000000, -0.0005604800000000, -0.0001465700000000 ] - [ 0.0000000000000000, -0.0019010900000000, 0.0031340100000000 ] - [ 0.0000000000000000, -0.0029097900000000, 0.0041308100000000 ] - [ 0.0000000000000000, -0.0005593600000000, -0.0001454300000000 ] - [ 0.0000000000000000, -0.0019024300000000, -0.0034287700000000 ] - [ -0.0010247300000000, 0.0030772700000000, -0.0075051200000000 ] - [ -0.0013765500000000, -0.0016474600000000, -0.0083547400000000 ] - [ -0.0003286200000000, -0.0019120200000000, -0.0071098100000000 ] - [ -0.0008698800000000, 0.0032793500000000, -0.0071545900000000 ] - [ -0.0014164000000000, -0.0018054300000000, -0.0071315200000000 ] - [ -0.0002569800000000, -0.0016814200000000, -0.0086649600000000 ] - [ 0.0081958300000000, -0.0002009000000000, -0.0076417200000000 ] - [ 0.0008526400000000, -0.0014140600000000, -0.0075535700000000 ] - [ -0.0073708600000000, -0.0004163800000000, -0.0077272400000000 ] - [ 0.0016212100000000, 0.0009449100000000, -0.0077007400000000 ] - [ 0.0008801200000000, -0.0010823000000000, -0.0075342600000000 ] - [ 0.0001014700000000, 0.0011332900000000, -0.0078039400000000 ] - [ -0.0081958300000000, -0.0002009000000000, -0.0076417200000000 ] - [ -0.0008526400000000, -0.0014140600000000, -0.0075535700000000 ] - [ 0.0073708600000000, -0.0004163800000000, -0.0077272400000000 ] - [ -0.0016212100000000, 0.0009449100000000, -0.0077007400000000 ] - [ -0.0008801200000000, -0.0010823000000000, -0.0075342600000000 ] - [ -0.0001014700000000, 0.0011332900000000, -0.0078039400000000 ] - [ 0.0010247300000000, 0.0030772700000000, -0.0075051200000000 ] - [ 0.0013765500000000, -0.0016474600000000, -0.0083547400000000 ] - [ 0.0003286200000000, -0.0019120200000000, -0.0071098100000000 ] - [ 0.0008698800000000, 0.0032793500000000, -0.0071545900000000 ] - [ 0.0014164000000000, -0.0018054300000000, -0.0071315200000000 ] - [ 0.0002569800000000, -0.0016814200000000, -0.0086649600000000 ] - [ 0.0000000000000000, -0.0026571000000000, 0.0018976200000000 ] - [ 0.0000000000000000, -0.0065229600000000, 0.0023123600000000 ] - [ 0.0000000000000000, -0.0066930500000000, 0.0022604800000000 ] - [ 0.0000000000000000, -0.0045116300000000, 0.0021324300000000 ] - [ 0.0000000000000000, -0.0058941400000000, 0.0022282200000000 ] - [ 0.0000000000000000, -0.0058805400000000, 0.0023694700000000 ] - [ 0.0000000000000000, 0.0056277800000000, 0.0015381200000000 ] - [ 0.0000000000000000, 0.0044617700000000, 0.0021356900000000 ] - [ 0.0000000000000000, 0.0059250500000000, 0.0030993100000000 ] - [ 0.0000000000000000, 0.0058767900000000, 0.0028611000000000 ] - [ 0.0000000000000000, 0.0044374900000000, 0.0021391000000000 ] - [ 0.0000000000000000, 0.0057552300000000, 0.0015904900000000 ] - [ 0.0012151200000000, -0.0032830300000000, 0.0029449800000000 ] - [ -0.0001171500000000, -0.0001482300000000, 0.0048393100000000 ] - [ -0.0004780600000000, 0.0004933400000000, 0.0055229100000000 ] - [ 0.0000536700000000, -0.0017930800000000, 0.0041111300000000 ] - [ -0.0000447300000000, -0.0003507600000000, 0.0049329200000000 ] - [ -0.0000898500000000, -0.0010382800000000, 0.0043261100000000 ] - [ -0.0000883700000000, 0.0006493300000000, 0.0041442500000000 ] - [ -0.0001663600000000, 0.0012485400000000, 0.0035439000000000 ] - [ -0.0001192300000000, -0.0003373300000000, 0.0042341400000000 ] - [ 0.0004944900000000, 0.0016968800000000, 0.0027984000000000 ] - [ -0.0000840900000000, 0.0014017400000000, 0.0036888600000000 ] - [ -0.0009551100000000, -0.0016221000000000, 0.0057225000000000 ] - [ -0.0040048300000000, 0.0002866300000000, 0.0001975100000000 ] - [ 0.0002376200000000, 0.0009773300000000, 0.0001549300000000 ] - [ 0.0024741700000000, -0.0034791200000000, 0.0001017200000000 ] - [ -0.0006707800000000, 0.0004504700000000, 0.0001615900000000 ] - [ 0.0001945000000000, 0.0007997300000000, 0.0001550200000000 ] - [ 0.0007557100000000, 0.0003527500000000, 0.0001734700000000 ] - [ 0.0000883700000000, 0.0006493300000000, 0.0041442500000000 ] - [ 0.0001663600000000, 0.0012485400000000, 0.0035439000000000 ] - [ 0.0001192300000000, -0.0003373300000000, 0.0042341400000000 ] - [ -0.0004944900000000, 0.0016968800000000, 0.0027984000000000 ] - [ 0.0000840900000000, 0.0014017400000000, 0.0036888600000000 ] - [ 0.0009551100000000, -0.0016221000000000, 0.0057225000000000 ] - [ 0.0006065500000000, -0.0024617200000000, 0.0025166800000000 ] - [ -0.0002160900000000, 0.0004044300000000, 0.0048540100000000 ] - [ 0.0001820700000000, 0.0003394900000000, 0.0043034400000000 ] - [ 0.0000545600000000, -0.0014106900000000, 0.0036464400000000 ] - [ 0.0000260400000000, -0.0005436800000000, 0.0038166400000000 ] - [ 0.0002717600000000, 0.0002609200000000, 0.0044336600000000 ] - [ 0.0000000000000000, 0.0013282800000000, -0.0037283600000000 ] - [ 0.0000000000000000, 0.0027559400000000, -0.0037820700000000 ] - [ 0.0000000000000000, 0.0024240300000000, -0.0042356100000000 ] - [ 0.0000000000000000, 0.0017481300000000, -0.0041099900000000 ] - [ 0.0000000000000000, 0.0025492400000000, -0.0038364800000000 ] - [ 0.0000000000000000, 0.0020539900000000, -0.0037355600000000 ] - [ -0.0000742500000000, -0.0019736300000000, 0.0004784000000000 ] - [ 0.0004158200000000, -0.0000598900000000, 0.0003094900000000 ] - [ -0.0004127200000000, -0.0001713700000000, 0.0000657600000000 ] - [ -0.0000552500000000, -0.0020342700000000, -0.0002189400000000 ] - [ 0.0004266200000000, -0.0000488200000000, 0.0000402400000000 ] - [ -0.0004335300000000, -0.0001898200000000, 0.0003003600000000 ] - [ 0.0004810500000000, -0.0005447100000000, 0.0060366800000000 ] - [ 0.0000806700000000, 0.0018637300000000, 0.0041102200000000 ] - [ -0.0003945400000000, 0.0020080400000000, 0.0032609000000000 ] - [ -0.0000846100000000, 0.0001697900000000, 0.0046731200000000 ] - [ 0.0001154700000000, 0.0018591100000000, 0.0040494800000000 ] - [ -0.0000986800000000, 0.0009705200000000, 0.0047470200000000 ] - [ 0.0000000000000000, -0.0029563700000000, -0.0037235500000000 ] - [ 0.0000000000000000, -0.0016601800000000, -0.0038740800000000 ] - [ 0.0000000000000000, -0.0017962600000000, -0.0041604700000000 ] - [ 0.0000000000000000, -0.0029293500000000, -0.0039689700000000 ] - [ 0.0000000000000000, -0.0015836600000000, -0.0041322700000000 ] - [ 0.0000000000000000, -0.0019817600000000, -0.0036809100000000 ] - [ -0.0004810500000000, -0.0005447100000000, 0.0060366800000000 ] - [ -0.0000806700000000, 0.0018637300000000, 0.0041102200000000 ] - [ 0.0003945400000000, 0.0020080400000000, 0.0032609000000000 ] - [ 0.0000846100000000, 0.0001697900000000, 0.0046731200000000 ] - [ -0.0001154700000000, 0.0018591100000000, 0.0040494800000000 ] - [ 0.0000986800000000, 0.0009705200000000, 0.0047470200000000 ] - [ 0.0040048300000000, 0.0002866300000000, 0.0001975100000000 ] - [ -0.0002376200000000, 0.0009773300000000, 0.0001549300000000 ] - [ -0.0024741700000000, -0.0034791200000000, 0.0001017200000000 ] - [ 0.0006707800000000, 0.0004504700000000, 0.0001615900000000 ] - [ -0.0001945000000000, 0.0007997300000000, 0.0001550200000000 ] - [ -0.0007557100000000, 0.0003527500000000, 0.0001734700000000 ] - [ 0.0000742500000000, -0.0019736300000000, 0.0004784000000000 ] - [ -0.0004158200000000, -0.0000598900000000, 0.0003094900000000 ] - [ 0.0004127200000000, -0.0001713700000000, 0.0000657600000000 ] - [ 0.0000552500000000, -0.0020342700000000, -0.0002189400000000 ] - [ -0.0004266200000000, -0.0000488200000000, 0.0000402400000000 ] - [ 0.0004335300000000, -0.0001898200000000, 0.0003003600000000 ] - [ -0.0012151200000000, -0.0032830300000000, 0.0029449800000000 ] - [ 0.0001171500000000, -0.0001482300000000, 0.0048393100000000 ] - [ 0.0004780600000000, 0.0004933400000000, 0.0055229100000000 ] - [ -0.0000536700000000, -0.0017930800000000, 0.0041111300000000 ] - [ 0.0000447300000000, -0.0003507600000000, 0.0049329200000000 ] - [ 0.0000898500000000, -0.0010382800000000, 0.0043261100000000 ] - [ -0.0006065500000000, -0.0024617200000000, 0.0025166800000000 ] - [ 0.0002160900000000, 0.0004044300000000, 0.0048540100000000 ] - [ -0.0001820700000000, 0.0003394900000000, 0.0043034400000000 ] - [ -0.0000545600000000, -0.0014106900000000, 0.0036464400000000 ] - [ -0.0000260400000000, -0.0005436800000000, 0.0038166400000000 ] - [ -0.0002717600000000, 0.0002609200000000, 0.0044336600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0002193700000000, -0.0215930400000000 ] - [ 0.0000000000000000, 0.0001322600000000, -0.0003993300000000 ] - [ 0.0000000000000000, 0.0001314000000000, -0.0004003700000000 ] - [ 0.0000000000000000, 0.0001326500000000, 0.0014687100000000 ] - [ 0.0000000000000000, 0.0001345000000000, 0.0001377200000000 ] - [ 0.0000000000000000, 0.0001353300000000, 0.0001385400000000 ] - [ 0.0000000000000000, 0.0042045000000000, 0.0028933200000000 ] - [ 0.0000000000000000, -0.0001471800000000, -0.0001375300000000 ] - [ 0.0000000000000000, -0.0034353500000000, 0.0019132300000000 ] - [ 0.0000000000000000, -0.0043838700000000, 0.0028478300000000 ] - [ 0.0000000000000000, -0.0001495800000000, -0.0001375000000000 ] - [ 0.0000000000000000, 0.0030979600000000, 0.0019052400000000 ] - [ 0.0060239600000000, -0.0000486400000000, -0.0062427700000000 ] - [ -0.0004196600000000, -0.0000616300000000, -0.0076435800000000 ] - [ -0.0005364100000000, -0.0005692500000000, -0.0075784300000000 ] - [ -0.0081565700000000, -0.0007881100000000, -0.0064237300000000 ] - [ -0.0012396100000000, -0.0006274600000000, -0.0077252500000000 ] - [ -0.0011287000000000, -0.0001122300000000, -0.0078057000000000 ] - [ 0.0004766400000000, -0.0000480900000000, -0.0103388400000000 ] - [ 0.0008262200000000, 0.0002614900000000, -0.0079714400000000 ] - [ 0.0006651100000000, 0.0000547100000000, -0.0099309800000000 ] - [ 0.0009125600000000, 0.0004891100000000, -0.0057745100000000 ] - [ 0.0008418700000000, 0.0003394400000000, -0.0073934400000000 ] - [ 0.0008819900000000, 0.0005200400000000, -0.0059821800000000 ] - [ -0.0004766400000000, -0.0000480900000000, -0.0103388400000000 ] - [ -0.0008262200000000, 0.0002614900000000, -0.0079714400000000 ] - [ -0.0006651100000000, 0.0000547100000000, -0.0099309800000000 ] - [ -0.0009125600000000, 0.0004891100000000, -0.0057745100000000 ] - [ -0.0008418700000000, 0.0003394400000000, -0.0073934400000000 ] - [ -0.0008819900000000, 0.0005200400000000, -0.0059821800000000 ] - [ -0.0060239600000000, -0.0000486400000000, -0.0062427700000000 ] - [ 0.0004196600000000, -0.0000616300000000, -0.0076435800000000 ] - [ 0.0005364100000000, -0.0005692500000000, -0.0075784300000000 ] - [ 0.0081565700000000, -0.0007881100000000, -0.0064237300000000 ] - [ 0.0012396100000000, -0.0006274600000000, -0.0077252500000000 ] - [ 0.0011287000000000, -0.0001122300000000, -0.0078057000000000 ] - [ 0.0000000000000000, -0.0050007800000000, 0.0004797100000000 ] - [ 0.0000000000000000, -0.0054413000000000, 0.0019911500000000 ] - [ 0.0000000000000000, -0.0054743900000000, 0.0019814600000000 ] - [ 0.0000000000000000, -0.0055896200000000, 0.0037364500000000 ] - [ 0.0000000000000000, -0.0054165700000000, 0.0024790900000000 ] - [ 0.0000000000000000, -0.0053744600000000, 0.0024950400000000 ] - [ 0.0000000000000000, 0.0062562700000000, 0.0021250400000000 ] - [ 0.0000000000000000, 0.0053939700000000, 0.0021989900000000 ] - [ 0.0000000000000000, 0.0046181300000000, 0.0021940000000000 ] - [ 0.0000000000000000, 0.0046160300000000, 0.0023886900000000 ] - [ 0.0000000000000000, 0.0053941500000000, 0.0022612000000000 ] - [ 0.0000000000000000, 0.0061306700000000, 0.0024184500000000 ] - [ 0.0008476500000000, 0.0003149500000000, 0.0062545200000000 ] - [ -0.0000140600000000, -0.0008929600000000, 0.0046545200000000 ] - [ -0.0000483900000000, -0.0008564900000000, 0.0047735500000000 ] - [ -0.0002961500000000, -0.0020176900000000, 0.0029770900000000 ] - [ -0.0000509300000000, -0.0011497500000000, 0.0043426000000000 ] - [ -0.0000219300000000, -0.0011511100000000, 0.0042574600000000 ] - [ -0.0000495000000000, 0.0005489000000000, 0.0036602000000000 ] - [ -0.0001411700000000, 0.0006338700000000, 0.0038415500000000 ] - [ -0.0004060800000000, 0.0015500300000000, 0.0026957600000000 ] - [ -0.0002063200000000, 0.0005345800000000, 0.0043036200000000 ] - [ -0.0001177000000000, 0.0004457100000000, 0.0041211100000000 ] - [ 0.0002086000000000, -0.0006327600000000, 0.0052370400000000 ] - [ 0.0002294200000000, 0.0005410400000000, 0.0013080400000000 ] - [ 0.0001311200000000, 0.0005550300000000, 0.0002094900000000 ] - [ 0.0002075400000000, 0.0005673800000000, 0.0012665700000000 ] - [ 0.0001068800000000, 0.0005352900000000, -0.0004954200000000 ] - [ 0.0001228900000000, 0.0005479700000000, 0.0001302100000000 ] - [ 0.0001052100000000, 0.0005331300000000, -0.0004845100000000 ] - [ 0.0000495000000000, 0.0005489000000000, 0.0036602000000000 ] - [ 0.0001411700000000, 0.0006338700000000, 0.0038415500000000 ] - [ 0.0004060800000000, 0.0015500300000000, 0.0026957600000000 ] - [ 0.0002063200000000, 0.0005345800000000, 0.0043036200000000 ] - [ 0.0001177000000000, 0.0004457100000000, 0.0041211100000000 ] - [ -0.0002086000000000, -0.0006327600000000, 0.0052370400000000 ] - [ 0.0009345700000000, 0.0007120000000000, 0.0054464400000000 ] - [ 0.0000709000000000, -0.0005717500000000, 0.0043481600000000 ] - [ 0.0001572900000000, -0.0004367800000000, 0.0041343600000000 ] - [ -0.0004700700000000, -0.0016565000000000, 0.0024275500000000 ] - [ 0.0001707300000000, -0.0004600400000000, 0.0036961300000000 ] - [ 0.0001047100000000, -0.0006101400000000, 0.0038483900000000 ] - [ 0.0000000000000000, 0.0023756300000000, -0.0031828200000000 ] - [ 0.0000000000000000, 0.0021711000000000, -0.0038206500000000 ] - [ 0.0000000000000000, 0.0022731900000000, -0.0034727800000000 ] - [ 0.0000000000000000, 0.0019359300000000, -0.0044521500000000 ] - [ 0.0000000000000000, 0.0020843400000000, -0.0039784400000000 ] - [ 0.0000000000000000, 0.0019837600000000, -0.0043075500000000 ] - [ -0.0036701500000000, -0.0008620900000000, 0.0007114800000000 ] - [ -0.0005692700000000, -0.0009293100000000, 0.0001628800000000 ] - [ -0.0004020600000000, -0.0003341300000000, 0.0001618400000000 ] - [ 0.0033083800000000, -0.0001784500000000, 0.0013481400000000 ] - [ 0.0003089400000000, -0.0001814400000000, 0.0001940900000000 ] - [ 0.0001542700000000, -0.0007688300000000, 0.0001908700000000 ] - [ -0.0007745300000000, -0.0005264300000000, 0.0056287300000000 ] - [ -0.0000549400000000, 0.0008908700000000, 0.0046202400000000 ] - [ -0.0000077900000000, 0.0011786700000000, 0.0047726800000000 ] - [ 0.0004300800000000, 0.0024955600000000, 0.0031511400000000 ] - [ -0.0000044700000000, 0.0011815900000000, 0.0043554700000000 ] - [ -0.0000577600000000, 0.0008858000000000, 0.0042495800000000 ] - [ 0.0000000000000000, -0.0024389400000000, -0.0044839300000000 ] - [ 0.0000000000000000, -0.0021682900000000, -0.0039756700000000 ] - [ 0.0000000000000000, -0.0018838400000000, -0.0040510900000000 ] - [ 0.0000000000000000, -0.0018070400000000, -0.0034571400000000 ] - [ 0.0000000000000000, -0.0020683900000000, -0.0038332500000000 ] - [ 0.0000000000000000, -0.0023317300000000, -0.0037520300000000 ] - [ 0.0007745300000000, -0.0005264300000000, 0.0056287300000000 ] - [ 0.0000549400000000, 0.0008908700000000, 0.0046202400000000 ] - [ 0.0000077900000000, 0.0011786700000000, 0.0047726800000000 ] - [ -0.0004300800000000, 0.0024955600000000, 0.0031511400000000 ] - [ 0.0000044700000000, 0.0011815900000000, 0.0043554700000000 ] - [ 0.0000577600000000, 0.0008858000000000, 0.0042495800000000 ] - [ -0.0002294200000000, 0.0005410400000000, 0.0013080400000000 ] - [ -0.0001311200000000, 0.0005550300000000, 0.0002094900000000 ] - [ -0.0002075400000000, 0.0005673800000000, 0.0012665700000000 ] - [ -0.0001068800000000, 0.0005352900000000, -0.0004954200000000 ] - [ -0.0001228900000000, 0.0005479700000000, 0.0001302100000000 ] - [ -0.0001052100000000, 0.0005331300000000, -0.0004845100000000 ] - [ 0.0036701500000000, -0.0008620900000000, 0.0007114800000000 ] - [ 0.0005692700000000, -0.0009293100000000, 0.0001628800000000 ] - [ 0.0004020600000000, -0.0003341300000000, 0.0001618400000000 ] - [ -0.0033083800000000, -0.0001784500000000, 0.0013481400000000 ] - [ -0.0003089400000000, -0.0001814400000000, 0.0001940900000000 ] - [ -0.0001542700000000, -0.0007688300000000, 0.0001908700000000 ] - [ -0.0008476500000000, 0.0003149500000000, 0.0062545200000000 ] - [ 0.0000140600000000, -0.0008929600000000, 0.0046545200000000 ] - [ 0.0000483900000000, -0.0008564900000000, 0.0047735500000000 ] - [ 0.0002961500000000, -0.0020176900000000, 0.0029770900000000 ] - [ 0.0000509300000000, -0.0011497500000000, 0.0043426000000000 ] - [ 0.0000219300000000, -0.0011511100000000, 0.0042574600000000 ] - [ -0.0009345700000000, 0.0007120000000000, 0.0054464400000000 ] - [ -0.0000709000000000, -0.0005717500000000, 0.0043481600000000 ] - [ -0.0001572900000000, -0.0004367800000000, 0.0041343600000000 ] - [ 0.0004700700000000, -0.0016565000000000, 0.0024275500000000 ] - [ -0.0001707300000000, -0.0004600400000000, 0.0036961300000000 ] - [ -0.0001047100000000, -0.0006101400000000, 0.0038483900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000018000000000, 0.0205689200000000 ] - [ 0.0000000000000000, 0.0001478900000000, 0.0001097300000000 ] - [ 0.0000000000000000, 0.0001532300000000, 0.0001079000000000 ] - [ 0.0000000000000000, 0.0001496400000000, -0.0017604700000000 ] - [ 0.0000000000000000, 0.0001471500000000, -0.0004308300000000 ] - [ 0.0000000000000000, 0.0001426100000000, -0.0004291400000000 ] - [ 0.0000000000000000, -0.0044112800000000, -0.0031405100000000 ] - [ 0.0000000000000000, -0.0001362500000000, -0.0001523800000000 ] - [ 0.0000000000000000, 0.0031139800000000, -0.0021930800000000 ] - [ 0.0000000000000000, 0.0041735300000000, -0.0031813800000000 ] - [ 0.0000000000000000, -0.0001304700000000, -0.0001550300000000 ] - [ 0.0000000000000000, -0.0034177000000000, -0.0022051500000000 ] - [ -0.0076388300000000, -0.0005951200000000, -0.0091431100000000 ] - [ -0.0012500800000000, -0.0005858200000000, -0.0077415800000000 ] - [ -0.0011267700000000, -0.0000756200000000, -0.0078076100000000 ] - [ 0.0065352200000000, 0.0001452600000000, -0.0089482700000000 ] - [ -0.0004289700000000, -0.0000211300000000, -0.0076514400000000 ] - [ -0.0005384700000000, -0.0005338800000000, -0.0075688400000000 ] - [ 0.0012204900000000, 0.0006875300000000, -0.0050478300000000 ] - [ 0.0008424400000000, 0.0003881800000000, -0.0074105700000000 ] - [ 0.0010515300000000, 0.0005996200000000, -0.0054523300000000 ] - [ 0.0007513900000000, 0.0001635700000000, -0.0096073300000000 ] - [ 0.0008272000000000, 0.0003090100000000, -0.0079869900000000 ] - [ 0.0007779400000000, 0.0001212800000000, -0.0093967600000000 ] - [ -0.0012204900000000, 0.0006875300000000, -0.0050478300000000 ] - [ -0.0008424400000000, 0.0003881800000000, -0.0074105700000000 ] - [ -0.0010515300000000, 0.0005996200000000, -0.0054523300000000 ] - [ -0.0007513900000000, 0.0001635700000000, -0.0096073300000000 ] - [ -0.0008272000000000, 0.0003090100000000, -0.0079869900000000 ] - [ -0.0007779400000000, 0.0001212800000000, -0.0093967600000000 ] - [ 0.0076388300000000, -0.0005951200000000, -0.0091431100000000 ] - [ 0.0012500800000000, -0.0005858200000000, -0.0077415800000000 ] - [ 0.0011267700000000, -0.0000756200000000, -0.0078076100000000 ] - [ -0.0065352200000000, 0.0001452600000000, -0.0089482700000000 ] - [ 0.0004289700000000, -0.0000211300000000, -0.0076514400000000 ] - [ 0.0005384700000000, -0.0005338800000000, -0.0075688400000000 ] - [ 0.0000000000000000, -0.0058164700000000, 0.0039653100000000 ] - [ 0.0000000000000000, -0.0053808100000000, 0.0024574400000000 ] - [ 0.0000000000000000, -0.0053420200000000, 0.0024661200000000 ] - [ 0.0000000000000000, -0.0052287100000000, 0.0007129900000000 ] - [ 0.0000000000000000, -0.0054016300000000, 0.0019697000000000 ] - [ 0.0000000000000000, -0.0054454100000000, 0.0019523400000000 ] - [ 0.0000000000000000, 0.0045659500000000, 0.0023170800000000 ] - [ 0.0000000000000000, 0.0054281500000000, 0.0022474600000000 ] - [ 0.0000000000000000, 0.0061976400000000, 0.0022479800000000 ] - [ 0.0000000000000000, 0.0062045800000000, 0.0020638200000000 ] - [ 0.0000000000000000, 0.0054269900000000, 0.0021882700000000 ] - [ 0.0000000000000000, 0.0046876800000000, 0.0020337400000000 ] - [ -0.0009039700000000, -0.0023792600000000, 0.0026960900000000 ] - [ -0.0000462400000000, -0.0011724400000000, 0.0043114400000000 ] - [ -0.0000110700000000, -0.0012143800000000, 0.0041874300000000 ] - [ 0.0002334200000000, -0.0000466400000000, 0.0059845400000000 ] - [ -0.0000098300000000, -0.0009148800000000, 0.0046241700000000 ] - [ -0.0000384000000000, -0.0009078600000000, 0.0047103000000000 ] - [ -0.0002140600000000, 0.0005094700000000, 0.0043009800000000 ] - [ -0.0001211500000000, 0.0004311800000000, 0.0041135700000000 ] - [ 0.0001402900000000, -0.0004833900000000, 0.0052591900000000 ] - [ -0.0000530600000000, 0.0005295500000000, 0.0036509100000000 ] - [ -0.0001448300000000, 0.0006167300000000, 0.0038344100000000 ] - [ -0.0004684500000000, 0.0017072300000000, 0.0027039100000000 ] - [ -0.0000007000000000, 0.0005650900000000, -0.0009834400000000 ] - [ 0.0001187300000000, 0.0005495100000000, 0.0001143500000000 ] - [ 0.0000331300000000, 0.0005439900000000, -0.0009420600000000 ] - [ 0.0001440200000000, 0.0005665100000000, 0.0008175300000000 ] - [ 0.0001301600000000, 0.0005564900000000, 0.0001926700000000 ] - [ 0.0001438800000000, 0.0005729800000000, 0.0008064400000000 ] - [ 0.0002140600000000, 0.0005094700000000, 0.0043009800000000 ] - [ 0.0001211500000000, 0.0004311800000000, 0.0041135700000000 ] - [ -0.0001402900000000, -0.0004833900000000, 0.0052591900000000 ] - [ 0.0000530600000000, 0.0005295500000000, 0.0036509100000000 ] - [ 0.0001448300000000, 0.0006167300000000, 0.0038344100000000 ] - [ 0.0004684500000000, 0.0017072300000000, 0.0027039100000000 ] - [ -0.0006721400000000, -0.0017606900000000, 0.0025295200000000 ] - [ 0.0001900700000000, -0.0004912000000000, 0.0036089500000000 ] - [ 0.0001052100000000, -0.0006262100000000, 0.0038257000000000 ] - [ 0.0007344900000000, 0.0005946100000000, 0.0055295600000000 ] - [ 0.0000916100000000, -0.0006065100000000, 0.0042566600000000 ] - [ 0.0001569100000000, -0.0004523000000000, 0.0041064600000000 ] - [ 0.0000000000000000, 0.0018706900000000, -0.0046339300000000 ] - [ 0.0000000000000000, 0.0020725700000000, -0.0039978700000000 ] - [ 0.0000000000000000, 0.0019709100000000, -0.0043434200000000 ] - [ 0.0000000000000000, 0.0023072800000000, -0.0033688100000000 ] - [ 0.0000000000000000, 0.0021581900000000, -0.0038423200000000 ] - [ 0.0000000000000000, 0.0022617400000000, -0.0035158400000000 ] - [ 0.0034594200000000, -0.0002522400000000, -0.0002759700000000 ] - [ 0.0003106700000000, -0.0001768100000000, 0.0001611400000000 ] - [ 0.0001540500000000, -0.0007682200000000, 0.0001625700000000 ] - [ -0.0034957900000000, -0.0009373700000000, -0.0011638400000000 ] - [ -0.0005627200000000, -0.0009240900000000, 0.0001274800000000 ] - [ -0.0004063600000000, -0.0003341200000000, 0.0001306300000000 ] - [ 0.0007117700000000, 0.0025754000000000, 0.0033490400000000 ] - [ -0.0000059000000000, 0.0011745900000000, 0.0043467600000000 ] - [ -0.0000514200000000, 0.0008793100000000, 0.0042032000000000 ] - [ -0.0004946600000000, -0.0004383300000000, 0.0058170600000000 ] - [ -0.0000567100000000, 0.0008832600000000, 0.0046107500000000 ] - [ -0.0000044700000000, 0.0011815200000000, 0.0047107800000000 ] - [ 0.0000000000000000, -0.0018100400000000, -0.0033347100000000 ] - [ 0.0000000000000000, -0.0020748300000000, -0.0038438900000000 ] - [ 0.0000000000000000, -0.0023615300000000, -0.0037666200000000 ] - [ 0.0000000000000000, -0.0024393700000000, -0.0043693900000000 ] - [ 0.0000000000000000, -0.0021769800000000, -0.0039866600000000 ] - [ 0.0000000000000000, -0.0019118600000000, -0.0040697800000000 ] - [ -0.0007117700000000, 0.0025754000000000, 0.0033490400000000 ] - [ 0.0000059000000000, 0.0011745900000000, 0.0043467600000000 ] - [ 0.0000514200000000, 0.0008793100000000, 0.0042032000000000 ] - [ 0.0004946600000000, -0.0004383300000000, 0.0058170600000000 ] - [ 0.0000567100000000, 0.0008832600000000, 0.0046107500000000 ] - [ 0.0000044700000000, 0.0011815200000000, 0.0047107800000000 ] - [ 0.0000007000000000, 0.0005650900000000, -0.0009834400000000 ] - [ -0.0001187300000000, 0.0005495100000000, 0.0001143500000000 ] - [ -0.0000331300000000, 0.0005439900000000, -0.0009420600000000 ] - [ -0.0001440200000000, 0.0005665100000000, 0.0008175300000000 ] - [ -0.0001301600000000, 0.0005564900000000, 0.0001926700000000 ] - [ -0.0001438800000000, 0.0005729800000000, 0.0008064400000000 ] - [ -0.0034594200000000, -0.0002522400000000, -0.0002759700000000 ] - [ -0.0003106700000000, -0.0001768100000000, 0.0001611400000000 ] - [ -0.0001540500000000, -0.0007682200000000, 0.0001625700000000 ] - [ 0.0034957900000000, -0.0009373700000000, -0.0011638400000000 ] - [ 0.0005627200000000, -0.0009240900000000, 0.0001274800000000 ] - [ 0.0004063600000000, -0.0003341200000000, 0.0001306300000000 ] - [ 0.0009039700000000, -0.0023792600000000, 0.0026960900000000 ] - [ 0.0000462400000000, -0.0011724400000000, 0.0043114400000000 ] - [ 0.0000110700000000, -0.0012143800000000, 0.0041874300000000 ] - [ -0.0002334200000000, -0.0000466400000000, 0.0059845400000000 ] - [ 0.0000098300000000, -0.0009148800000000, 0.0046241700000000 ] - [ 0.0000384000000000, -0.0009078600000000, 0.0047103000000000 ] - [ 0.0006721400000000, -0.0017606900000000, 0.0025295200000000 ] - [ -0.0001900700000000, -0.0004912000000000, 0.0036089500000000 ] - [ -0.0001052100000000, -0.0006262100000000, 0.0038257000000000 ] - [ -0.0007344900000000, 0.0005946100000000, 0.0055295600000000 ] - [ -0.0000916100000000, -0.0006065100000000, 0.0042566600000000 ] - [ -0.0001569100000000, -0.0004523000000000, 0.0041064600000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0046765800000000, 0.0003127800000000, 0.0066438700000000 ] - [ 0.0001174300000000, -0.0003615500000000, 0.0001456800000000 ] - [ -0.0000394800000000, 0.0006795500000000, 0.0002646200000000 ] - [ 0.0055085800000000, 0.0001599700000000, -0.0074570300000000 ] - [ 0.0001761100000000, -0.0004340800000000, -0.0004446700000000 ] - [ -0.0000141700000000, 0.0007194100000000, -0.0005540100000000 ] - [ 0.0048854500000000, -0.0074994300000000, 0.0002182200000000 ] - [ -0.0000026700000000, -0.0001595300000000, -0.0001409200000000 ] - [ 0.0060174300000000, 0.0080109800000000, 0.0000403900000000 ] - [ 0.0002145800000000, -0.0009252200000000, -0.0002302300000000 ] - [ -0.0000005100000000, -0.0001848900000000, -0.0001583600000000 ] - [ 0.0000211200000000, 0.0005863700000000, -0.0002006700000000 ] - [ -0.4674875800000000, -0.0221225500000000, -0.0190182100000000 ] - [ -0.0030193300000000, -0.0009001500000000, -0.0070098700000000 ] - [ -0.0030252400000000, -0.0014372600000000, -0.0078805200000000 ] - [ -0.0055212500000000, 0.0025712500000000, -0.0071756100000000 ] - [ -0.0015617700000000, -0.0009138600000000, -0.0079831600000000 ] - [ -0.0015698100000000, -0.0013820500000000, -0.0081168200000000 ] - [ 0.0045749900000000, 0.0014411600000000, -0.0101308500000000 ] - [ 0.0012519400000000, 0.0003617600000000, -0.0076729800000000 ] - [ 0.0046658100000000, -0.0008655400000000, -0.0085226100000000 ] - [ 0.0045782400000000, 0.0036237300000000, -0.0052367700000000 ] - [ 0.0012519300000000, 0.0003028300000000, -0.0076832700000000 ] - [ 0.0046686000000000, -0.0014556000000000, -0.0062471600000000 ] - [ -0.0053124600000000, -0.0011366200000000, -0.0058317100000000 ] - [ -0.0013593200000000, -0.0003163100000000, -0.0074068100000000 ] - [ -0.0080788500000000, -0.0074694000000000, -0.0119613900000000 ] - [ -0.0052974800000000, -0.0036484200000000, -0.0099956600000000 ] - [ -0.0013587000000000, -0.0003666100000000, -0.0075911100000000 ] - [ -0.0080677600000000, -0.0030573200000000, -0.0026222800000000 ] - [ 0.0280235400000000, -0.0043261300000000, -0.0082554100000000 ] - [ 0.0033621400000000, 0.0010225100000000, -0.0068906800000000 ] - [ 0.0033614900000000, -0.0008188400000000, -0.0074816600000000 ] - [ 0.0051656200000000, -0.0002511200000000, -0.0069755000000000 ] - [ 0.0015235000000000, 0.0000185300000000, -0.0075986900000000 ] - [ 0.0015221800000000, -0.0005063400000000, -0.0076334900000000 ] - [ 0.0038255400000000, -0.0037729000000000, -0.0086845900000000 ] - [ -0.0003902300000000, -0.0048910100000000, 0.0018002100000000 ] - [ 0.0005301200000000, -0.0060347600000000, 0.0021244900000000 ] - [ 0.0080228800000000, -0.0057342700000000, 0.0343438400000000 ] - [ -0.0005572500000000, -0.0050883200000000, 0.0025117000000000 ] - [ 0.0003657400000000, -0.0057175500000000, 0.0028058600000000 ] - [ 0.0023909800000000, 0.0310629200000000, -0.0062300300000000 ] - [ -0.0000436600000000, 0.0051924400000000, 0.0020157100000000 ] - [ 0.0076139000000000, -0.0098118800000000, 0.0002920400000000 ] - [ -0.0007207100000000, 0.0065249200000000, 0.0029840700000000 ] - [ 0.0000033000000000, 0.0052218300000000, 0.0021739600000000 ] - [ 0.0005158600000000, 0.0048262000000000, 0.0021765900000000 ] - [ 0.0018873100000000, -0.0019216000000000, 0.0041102700000000 ] - [ 0.0001506000000000, -0.0008426100000000, 0.0046677100000000 ] - [ -0.0006034300000000, 0.0011941800000000, 0.0055030000000000 ] - [ 0.0219042800000000, 0.0104604400000000, 0.0231617600000000 ] - [ 0.0001773500000000, -0.0007403000000000, 0.0046913800000000 ] - [ 0.0003378400000000, 0.0004603000000000, 0.0047989000000000 ] - [ 0.0018294600000000, 0.0013530400000000, 0.0025821900000000 ] - [ 0.0000024900000000, 0.0011582500000000, 0.0036967500000000 ] - [ 0.0254817300000000, -0.0146520600000000, 0.0166149100000000 ] - [ 0.0005380900000000, 0.0005158200000000, 0.0038238500000000 ] - [ -0.0000667600000000, 0.0011338500000000, 0.0037745900000000 ] - [ 0.0004342000000000, 0.0002753500000000, 0.0060520200000000 ] - [ -0.0030710200000000, 0.0009898700000000, -0.0002320000000000 ] - [ -0.0002295100000000, 0.0005009900000000, 0.0001442300000000 ] - [ -0.0031421700000000, -0.0003727900000000, -0.0004807800000000 ] - [ -0.0033039500000000, 0.0007696700000000, 0.0007043600000000 ] - [ -0.0002602500000000, 0.0005038600000000, 0.0001858600000000 ] - [ -0.0032925200000000, -0.0004080600000000, 0.0008535700000000 ] - [ -0.0007941400000000, -0.0001587700000000, 0.0035808700000000 ] - [ -0.0001448600000000, 0.0006531800000000, 0.0039517100000000 ] - [ -0.0028980100000000, 0.0032316600000000, 0.0017387600000000 ] - [ -0.0000282800000000, 0.0001221900000000, 0.0042701600000000 ] - [ 0.0000119100000000, 0.0006500700000000, 0.0039441400000000 ] - [ -0.0007666200000000, 0.0009164800000000, 0.0041548100000000 ] - [ -0.0024719400000000, 0.0013124800000000, 0.0055966900000000 ] - [ -0.0020150100000000, -0.0021915200000000, 0.0046067200000000 ] - [ -0.0001479300000000, -0.0005812200000000, 0.0038477400000000 ] - [ -0.0021369800000000, 0.0002829500000000, 0.0024424400000000 ] - [ 0.0000590900000000, -0.0010506200000000, 0.0034538900000000 ] - [ 0.0000042700000000, -0.0004410000000000, 0.0039418700000000 ] - [ 0.0015432100000000, 0.0022302400000000, -0.0019399200000000 ] - [ 0.0000229900000000, 0.0021613200000000, -0.0038954400000000 ] - [ -0.0000653500000000, 0.0026728500000000, -0.0029580600000000 ] - [ 0.0020657800000000, -0.0002268400000000, -0.0051632500000000 ] - [ 0.0000064700000000, 0.0021474600000000, -0.0039268600000000 ] - [ 0.0002445800000000, 0.0022100100000000, -0.0037727700000000 ] - [ 0.3321026600000000, 0.0302535800000000, 0.0105543600000000 ] - [ 0.0016390700000000, 0.0006394700000000, 0.0001023900000000 ] - [ 0.0017078200000000, -0.0012173200000000, 0.0001540200000000 ] - [ 0.0029944100000000, -0.0007061300000000, 0.0002073200000000 ] - [ 0.0004071200000000, -0.0002464600000000, 0.0002018700000000 ] - [ 0.0006339800000000, -0.0005748200000000, 0.0001641200000000 ] - [ 0.0275476200000000, 0.0218160900000000, -0.0061931300000000 ] - [ 0.0002017900000000, 0.0015200700000000, 0.0042065900000000 ] - [ 0.0016757900000000, 0.0038967300000000, 0.0035653500000000 ] - [ 0.0007919300000000, 0.0003415500000000, 0.0057149000000000 ] - [ 0.0000743000000000, 0.0013637700000000, 0.0043655400000000 ] - [ -0.0003109900000000, 0.0021446800000000, 0.0031277400000000 ] - [ -0.0141560500000000, -0.0113828100000000, -0.0120230100000000 ] - [ 0.0001706700000000, -0.0026350900000000, -0.0041031800000000 ] - [ -0.0000264300000000, 0.0000468300000000, -0.0045831200000000 ] - [ 0.0002660700000000, -0.0029281700000000, -0.0027180300000000 ] - [ 0.0001040400000000, -0.0021384100000000, -0.0038326600000000 ] - [ -0.0002244900000000, -0.0019587900000000, -0.0038666600000000 ] - [ -0.0042635400000000, -0.0008872900000000, 0.0072357500000000 ] - [ -0.0000915600000000, 0.0009197900000000, 0.0044624600000000 ] - [ -0.0016053100000000, 0.0020436000000000, 0.0048632600000000 ] - [ -0.0004086900000000, 0.0012574500000000, 0.0038895700000000 ] - [ -0.0000199400000000, 0.0009997000000000, 0.0045004000000000 ] - [ -0.0001816800000000, 0.0014076600000000, 0.0043121200000000 ] - [ 0.0032484800000000, 0.0016539000000000, -0.0003921100000000 ] - [ 0.0002299800000000, 0.0005366500000000, 0.0001276100000000 ] - [ 0.0061462900000000, -0.0013094100000000, -0.0015905100000000 ] - [ 0.0026462800000000, 0.0013133700000000, 0.0015244300000000 ] - [ 0.0002491400000000, 0.0005448400000000, 0.0001758000000000 ] - [ 0.0061573600000000, -0.0018225400000000, 0.0019561400000000 ] - [ -0.0151526200000000, -0.0000171100000000, -0.0001104400000000 ] - [ -0.0021517700000000, 0.0008288200000000, 0.0001329600000000 ] - [ -0.0017828700000000, -0.0014184500000000, 0.0001253400000000 ] - [ -0.0035097500000000, -0.0006188100000000, 0.0001989600000000 ] - [ -0.0005003500000000, -0.0003612200000000, 0.0001712700000000 ] - [ -0.0003974600000000, -0.0006065900000000, 0.0001554500000000 ] - [ -0.0013105200000000, -0.0011960900000000, 0.0051602500000000 ] - [ 0.0000029700000000, -0.0011234000000000, 0.0044530400000000 ] - [ -0.0002458100000000, -0.0009643200000000, 0.0045402500000000 ] - [ -0.0052726800000000, -0.0036938600000000, 0.0005169000000000 ] - [ -0.0000086200000000, -0.0012560400000000, 0.0043405900000000 ] - [ -0.0004055800000000, -0.0008342900000000, 0.0045395400000000 ] - [ 0.0312642100000000, -0.0174385600000000, -0.0207362400000000 ] - [ 0.0022574400000000, -0.0004592400000000, 0.0047114000000000 ] - [ -0.0000265700000000, -0.0001948400000000, 0.0040948300000000 ] - [ 0.0023931900000000, -0.0006434100000000, 0.0010524900000000 ] - [ 0.0006133600000000, -0.0001623900000000, 0.0043257800000000 ] - [ -0.0001430300000000, -0.0001014200000000, 0.0041736900000000 ]- atom: 13 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0046962300000000, -0.0000270800000000, -0.0069936500000000 ] - [ -0.0001122800000000, 0.0006436500000000, -0.0004458900000000 ] - [ 0.0000429600000000, -0.0004033000000000, -0.0005658700000000 ] - [ -0.0055392900000000, 0.0001277400000000, 0.0072165300000000 ] - [ -0.0001689700000000, 0.0007161000000000, 0.0001469100000000 ] - [ 0.0000182100000000, -0.0004438600000000, 0.0002565000000000 ] - [ -0.0049034400000000, 0.0072776400000000, -0.0005170200000000 ] - [ 0.0000057400000000, -0.0001231600000000, -0.0001570600000000 ] - [ -0.0060507700000000, -0.0083517900000000, -0.0003403000000000 ] - [ -0.0002062800000000, 0.0006502100000000, -0.0000701900000000 ] - [ 0.0000032400000000, -0.0000966300000000, -0.0001423000000000 ] - [ -0.0000164000000000, -0.0008710300000000, -0.0000971200000000 ] - [ 0.4883132500000000, 0.0243983800000000, 0.0042155800000000 ] - [ 0.0013633600000000, 0.0001965500000000, -0.0083796500000000 ] - [ 0.0013580300000000, 0.0007992300000000, -0.0075000300000000 ] - [ 0.0038557800000000, -0.0031776600000000, -0.0081921300000000 ] - [ -0.0000901800000000, 0.0002215200000000, -0.0074074500000000 ] - [ -0.0000977300000000, 0.0007558300000000, -0.0072594700000000 ] - [ -0.0029144300000000, -0.0007714900000000, -0.0052952600000000 ] - [ 0.0004157600000000, 0.0002832500000000, -0.0077230600000000 ] - [ -0.0030126000000000, 0.0014717300000000, -0.0068873200000000 ] - [ -0.0029105000000000, -0.0029394200000000, -0.0101309100000000 ] - [ 0.0004160500000000, 0.0003415400000000, -0.0077023900000000 ] - [ -0.0030092400000000, 0.0020600700000000, -0.0091130000000000 ] - [ 0.0035917400000000, 0.0016431100000000, -0.0093274000000000 ] - [ -0.0003117200000000, 0.0009563200000000, -0.0079833900000000 ] - [ 0.0064432600000000, 0.0082313700000000, -0.0033995000000000 ] - [ 0.0036038100000000, 0.0040913100000000, -0.0055129300000000 ] - [ -0.0003106900000000, 0.0010053100000000, -0.0077941800000000 ] - [ 0.0064508100000000, 0.0037222700000000, -0.0128134600000000 ] - [ -0.0262632800000000, 0.0036773900000000, -0.0071360700000000 ] - [ -0.0016974000000000, -0.0016389600000000, -0.0084860000000000 ] - [ -0.0016980500000000, 0.0001521900000000, -0.0079136000000000 ] - [ -0.0035078600000000, -0.0003829100000000, -0.0084053700000000 ] - [ 0.0001450400000000, -0.0006531000000000, -0.0077897300000000 ] - [ 0.0001434800000000, -0.0001609400000000, -0.0077586500000000 ] - [ -0.0039005200000000, -0.0070291200000000, 0.0130506700000000 ] - [ 0.0003577800000000, -0.0059219500000000, 0.0026347200000000 ] - [ -0.0005591900000000, -0.0047871500000000, 0.0023094000000000 ] - [ -0.0080654300000000, -0.0050961500000000, -0.0294759100000000 ] - [ 0.0005245200000000, -0.0057232500000000, 0.0019358400000000 ] - [ -0.0003896200000000, -0.0051003000000000, 0.0016396500000000 ] - [ -0.0025065300000000, -0.0199460700000000, 0.0105782600000000 ] - [ 0.0000278300000000, 0.0056145300000000, 0.0024230700000000 ] - [ -0.0076452600000000, 0.0204940600000000, 0.0041370600000000 ] - [ 0.0006686600000000, 0.0043062700000000, 0.0014784600000000 ] - [ -0.0000169500000000, 0.0055828100000000, 0.0022684000000000 ] - [ -0.0005526000000000, 0.0059758600000000, 0.0022757800000000 ] - [ -0.0019254300000000, -0.0001867600000000, 0.0048031000000000 ] - [ -0.0002063300000000, -0.0012154900000000, 0.0043013700000000 ] - [ 0.0005755000000000, -0.0033267100000000, 0.0034286200000000 ] - [ -0.0223200400000000, -0.0124143900000000, -0.0140811200000000 ] - [ -0.0002329400000000, -0.0013134500000000, 0.0042768900000000 ] - [ -0.0003941700000000, -0.0025594300000000, 0.0041557300000000 ] - [ -0.0020521000000000, -0.0002280800000000, 0.0053252300000000 ] - [ -0.0002625700000000, -0.0000952400000000, 0.0042558900000000 ] - [ -0.0260591300000000, 0.0153686700000000, -0.0083758400000000 ] - [ -0.0007597400000000, 0.0006050100000000, 0.0040770200000000 ] - [ -0.0001931700000000, -0.0000770100000000, 0.0041834800000000 ] - [ -0.0006848900000000, 0.0007847300000000, 0.0018675500000000 ] - [ 0.0033108000000000, 0.0001026900000000, 0.0005589000000000 ] - [ 0.0004575900000000, 0.0005994800000000, 0.0001759300000000 ] - [ 0.0033828000000000, 0.0014819300000000, 0.0008067800000000 ] - [ 0.0035400700000000, 0.0003217100000000, -0.0003932200000000 ] - [ 0.0004874500000000, 0.0005964900000000, 0.0001315200000000 ] - [ 0.0035323500000000, 0.0015167700000000, -0.0005439200000000 ] - [ 0.0010611800000000, 0.0012081300000000, 0.0043724900000000 ] - [ 0.0004164700000000, 0.0004137500000000, 0.0040026100000000 ] - [ 0.0031451700000000, -0.0021282900000000, 0.0061793700000000 ] - [ 0.0003027300000000, 0.0009256800000000, 0.0036978500000000 ] - [ 0.0002608800000000, 0.0004149500000000, 0.0040123700000000 ] - [ 0.0010412800000000, 0.0001463700000000, 0.0038092700000000 ] - [ 0.0027242400000000, -0.0023360100000000, 0.0024006200000000 ] - [ 0.0022653600000000, 0.0011048900000000, 0.0033612900000000 ] - [ 0.0004206900000000, -0.0004761400000000, 0.0041143100000000 ] - [ 0.0023913500000000, -0.0013319400000000, 0.0054960900000000 ] - [ 0.0002143700000000, -0.0000241200000000, 0.0044930300000000 ] - [ 0.0002684600000000, -0.0006152200000000, 0.0040157300000000 ] - [ -0.0014988600000000, 0.0020292200000000, -0.0058781100000000 ] - [ -0.0000163400000000, 0.0020936000000000, -0.0039354200000000 ] - [ 0.0000763200000000, 0.0016028600000000, -0.0048644500000000 ] - [ -0.0020410700000000, 0.0044398000000000, -0.0026985000000000 ] - [ 0.0000006300000000, 0.0021072600000000, -0.0039101500000000 ] - [ -0.0002324000000000, 0.0020547500000000, -0.0040752300000000 ] - [ -0.3540066000000000, -0.0337251700000000, -0.0108854600000000 ] - [ -0.0018847500000000, -0.0017412900000000, 0.0002161800000000 ] - [ -0.0019559700000000, 0.0001237900000000, 0.0001634700000000 ] - [ -0.0032530500000000, -0.0003970000000000, 0.0001087800000000 ] - [ -0.0006499000000000, -0.0008520000000000, 0.0001149000000000 ] - [ -0.0008768500000000, -0.0005245200000000, 0.0001530100000000 ] - [ -0.0280583200000000, -0.0197737800000000, 0.0150483000000000 ] - [ -0.0002575300000000, 0.0005622700000000, 0.0047518600000000 ] - [ -0.0017278300000000, -0.0018495900000000, 0.0054197500000000 ] - [ -0.0008291200000000, 0.0017106400000000, 0.0033039800000000 ] - [ -0.0001310100000000, 0.0007157100000000, 0.0045904300000000 ] - [ 0.0002726500000000, -0.0000956300000000, 0.0058678900000000 ] - [ 0.0150165100000000, 0.0071667400000000, 0.0041368000000000 ] - [ -0.0001594900000000, -0.0016233200000000, -0.0037366100000000 ] - [ 0.0000328400000000, -0.0042926900000000, -0.0032553400000000 ] - [ -0.0002487500000000, -0.0013354400000000, -0.0051125400000000 ] - [ -0.0000925400000000, -0.0021099600000000, -0.0040019400000000 ] - [ 0.0002384400000000, -0.0022919400000000, -0.0039685600000000 ] - [ 0.0043272500000000, 0.0029095900000000, 0.0017375300000000 ] - [ 0.0001573800000000, 0.0011375600000000, 0.0045024000000000 ] - [ 0.0016788000000000, 0.0000337100000000, 0.0040875000000000 ] - [ 0.0004791200000000, 0.0007974600000000, 0.0050665300000000 ] - [ 0.0000851900000000, 0.0010642200000000, 0.0044586700000000 ] - [ 0.0002507000000000, 0.0006730400000000, 0.0046317100000000 ] - [ -0.0035446600000000, -0.0005626400000000, 0.0007043500000000 ] - [ -0.0004685800000000, 0.0005646100000000, 0.0001908500000000 ] - [ -0.0064480200000000, 0.0024454400000000, 0.0019470400000000 ] - [ -0.0029490500000000, -0.0002168700000000, -0.0012251700000000 ] - [ -0.0004885200000000, 0.0005559600000000, 0.0001408500000000 ] - [ -0.0064605100000000, 0.0029637900000000, -0.0016871400000000 ] - [ 0.0154492900000000, -0.0010797700000000, 0.0004323700000000 ] - [ 0.0023867600000000, -0.0019381600000000, 0.0001840000000000 ] - [ 0.0020227900000000, 0.0003267100000000, 0.0001934500000000 ] - [ 0.0037502400000000, -0.0004819900000000, 0.0001193900000000 ] - [ 0.0007292500000000, -0.0007396300000000, 0.0001463900000000 ] - [ 0.0006283500000000, -0.0004897200000000, 0.0001624800000000 ] - [ 0.0013784500000000, -0.0008730600000000, 0.0038026500000000 ] - [ 0.0000652200000000, -0.0009413600000000, 0.0045073900000000 ] - [ 0.0003143500000000, -0.0010811900000000, 0.0044315700000000 ] - [ 0.0053382600000000, 0.0016178200000000, 0.0084162200000000 ] - [ 0.0000765600000000, -0.0008139900000000, 0.0046121200000000 ] - [ 0.0004736300000000, -0.0012135600000000, 0.0044276300000000 ] - [ -0.0319576200000000, 0.0159565800000000, 0.0282179700000000 ] - [ -0.0024773200000000, -0.0005362700000000, 0.0032685000000000 ] - [ -0.0002340700000000, -0.0008647700000000, 0.0038624600000000 ] - [ -0.0026167600000000, -0.0004000700000000, 0.0068957300000000 ] - [ -0.0008498800000000, -0.0008606300000000, 0.0036748700000000 ] - [ -0.0001177100000000, -0.0009610000000000, 0.0037770400000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000914500000000, -0.0032737000000000, 0.0001459200000000 ] - [ -0.0007957500000000, 0.0017167200000000, -0.0003931400000000 ] - [ 0.0005923000000000, 0.0014525400000000, 0.0001158600000000 ] - [ 0.0003298000000000, -0.0034753000000000, -0.0006349600000000 ] - [ -0.0006470300000000, 0.0014875900000000, 0.0000631500000000 ] - [ 0.0008379800000000, 0.0016109900000000, -0.0004509600000000 ] - [ -0.0042856300000000, 0.0003619700000000, 0.0002125400000000 ] - [ 0.0000274700000000, 0.0015945200000000, -0.0000895800000000 ] - [ 0.0039877400000000, 0.0006130700000000, 0.0001203600000000 ] - [ -0.0009974800000000, -0.0007737800000000, -0.0003156900000000 ] - [ 0.0000273500000000, 0.0012627700000000, -0.0001702000000000 ] - [ 0.0009748300000000, -0.0009458600000000, -0.0003529700000000 ] - [ -0.0256285000000000, -0.2562412200000000, -0.0042072500000000 ] - [ -0.0019614600000000, 0.0160356200000000, -0.0048227300000000 ] - [ -0.0013960800000000, 0.0160076100000000, -0.0049306500000000 ] - [ 0.0020254400000000, -0.0236635200000000, -0.0123661100000000 ] - [ -0.0019121000000000, 0.0098988400000000, -0.0080113800000000 ] - [ -0.0014116800000000, 0.0099063200000000, -0.0067845500000000 ] - [ 0.0041388700000000, -0.0026147100000000, -0.0107322100000000 ] - [ 0.0008257500000000, 0.0065933600000000, -0.0080739100000000 ] - [ -0.0009033200000000, -0.0040121300000000, -0.0052120400000000 ] - [ 0.0019604400000000, -0.0026040700000000, -0.0052538600000000 ] - [ 0.0008830800000000, 0.0065917000000000, -0.0081324900000000 ] - [ -0.0003146000000000, -0.0040176000000000, -0.0083762100000000 ] - [ 0.0030298300000000, 0.0266416600000000, -0.0593095500000000 ] - [ -0.0001590000000000, 0.0109323600000000, -0.0089694900000000 ] - [ 0.0025397900000000, 0.0252059800000000, 0.0208460300000000 ] - [ 0.0005453800000000, 0.0265915400000000, 0.0177305200000000 ] - [ -0.0002085900000000, 0.0109290000000000, -0.0090418000000000 ] - [ 0.0069918200000000, 0.0250860900000000, -0.0508867600000000 ] - [ 0.0049250600000000, -0.0113255600000000, -0.0080449100000000 ] - [ 0.0013375000000000, 0.0057506600000000, -0.0071640800000000 ] - [ -0.0004808300000000, 0.0057443000000000, -0.0087782600000000 ] - [ 0.0007876800000000, -0.0065323400000000, -0.0069204000000000 ] - [ 0.0010168900000000, 0.0032278100000000, -0.0078964500000000 ] - [ 0.0005095100000000, 0.0032295300000000, -0.0072719700000000 ] - [ -0.0030228700000000, -0.0261285600000000, 0.0064944700000000 ] - [ 0.0029581200000000, 0.0001260200000000, 0.0005039900000000 ] - [ -0.0029340400000000, 0.0001711200000000, 0.0032417400000000 ] - [ 0.0043518100000000, -0.0325655300000000, 0.0060381800000000 ] - [ 0.0026575000000000, -0.0005649100000000, 0.0031255700000000 ] - [ -0.0045097400000000, 0.0000443300000000, -0.0000291200000000 ] - [ 0.0411449200000000, 0.0223458200000000, 0.0050061900000000 ] - [ 0.0000791300000000, 0.0115900200000000, 0.0028623000000000 ] - [ -0.0262002300000000, 0.0227057300000000, 0.0074914000000000 ] - [ 0.0037502300000000, 0.0026460300000000, 0.0017868100000000 ] - [ -0.0000137300000000, 0.0101530300000000, 0.0026481800000000 ] - [ -0.0045835300000000, 0.0030877600000000, 0.0013009700000000 ] - [ -0.0023185900000000, 0.0130049900000000, 0.0180307300000000 ] - [ 0.0001831700000000, -0.0060252500000000, 0.0023876500000000 ] - [ 0.0020817100000000, -0.0089336900000000, -0.0000938100000000 ] - [ -0.0041830800000000, 0.0096159300000000, 0.0130503100000000 ] - [ -0.0000543200000000, -0.0075469700000000, 0.0007940100000000 ] - [ 0.0016656800000000, -0.0122769600000000, 0.0016989100000000 ] - [ -0.0024554600000000, -0.0081961200000000, 0.0051995800000000 ] - [ 0.0002101000000000, -0.0065143200000000, 0.0072372200000000 ] - [ -0.0029577000000000, 0.0224162700000000, 0.0054885600000000 ] - [ -0.0051095900000000, -0.0081110800000000, 0.0129145500000000 ] - [ -0.0002212000000000, -0.0045440700000000, 0.0061114100000000 ] - [ 0.0018113900000000, 0.0087269500000000, -0.0060089700000000 ] - [ 0.0000097200000000, 0.0010075000000000, 0.0005922400000000 ] - [ -0.0001944800000000, -0.0005727800000000, 0.0001543000000000 ] - [ 0.0000901400000000, 0.0013530900000000, -0.0001804000000000 ] - [ 0.0003890200000000, 0.0010489900000000, -0.0002564000000000 ] - [ -0.0002397600000000, -0.0005786500000000, 0.0001913900000000 ] - [ -0.0005325400000000, 0.0011934100000000, 0.0004697100000000 ] - [ -0.0033884300000000, -0.0020160700000000, 0.0009375800000000 ] - [ 0.0008027000000000, -0.0031411900000000, 0.0055962900000000 ] - [ 0.0009613200000000, 0.0067454700000000, 0.0037007300000000 ] - [ -0.0007970500000000, -0.0007878200000000, 0.0050295000000000 ] - [ 0.0007463100000000, -0.0023222000000000, 0.0049082100000000 ] - [ 0.0006536200000000, 0.0041103000000000, 0.0023333800000000 ] - [ 0.0018816600000000, 0.0046106700000000, 0.0058324000000000 ] - [ -0.0024552500000000, -0.0026122900000000, 0.0048449700000000 ] - [ 0.0003079000000000, -0.0041291300000000, 0.0025895800000000 ] - [ -0.0004525000000000, 0.0032482400000000, 0.0042326900000000 ] - [ -0.0003940100000000, -0.0012199000000000, 0.0031147300000000 ] - [ 0.0005719000000000, -0.0035045700000000, 0.0033388200000000 ] - [ -0.0104135200000000, 0.0046832800000000, 0.0037097500000000 ] - [ -0.0000808700000000, -0.0009564100000000, -0.0045353100000000 ] - [ 0.0032635400000000, -0.0014481600000000, -0.0087789200000000 ] - [ -0.0051345600000000, 0.0053632100000000, -0.0062192400000000 ] - [ -0.0000068400000000, -0.0009773100000000, -0.0044466200000000 ] - [ 0.0043382600000000, 0.0003303200000000, -0.0007886000000000 ] - [ 0.0299850400000000, 0.0257311600000000, 0.0011539400000000 ] - [ 0.0004105600000000, -0.0024845300000000, -0.0000241300000000 ] - [ -0.0019089100000000, -0.0022655000000000, -0.0001705200000000 ] - [ 0.0003491700000000, 0.0015979100000000, 0.0004222100000000 ] - [ 0.0005021400000000, -0.0015597400000000, 0.0002935700000000 ] - [ -0.0012247800000000, -0.0016928500000000, 0.0001186100000000 ] - [ -0.0037977300000000, 0.0786913800000000, -0.0292964900000000 ] - [ -0.0009892500000000, -0.0060611800000000, 0.0075004700000000 ] - [ 0.0007414200000000, -0.0099214500000000, 0.0057358600000000 ] - [ -0.0009303200000000, 0.0088952000000000, -0.0042040000000000 ] - [ -0.0007004700000000, -0.0040308100000000, 0.0068435200000000 ] - [ 0.0024987400000000, -0.0045184400000000, 0.0128799200000000 ] - [ -0.0040232700000000, 0.0123450100000000, -0.0074988700000000 ] - [ -0.0010639300000000, -0.0057119400000000, -0.0036656800000000 ] - [ 0.0014441900000000, -0.0075191200000000, -0.0022669100000000 ] - [ -0.0010187000000000, 0.0020633200000000, -0.0065340900000000 ] - [ -0.0008662800000000, -0.0048999700000000, -0.0028459900000000 ] - [ 0.0014155900000000, -0.0033311500000000, -0.0040638900000000 ] - [ -0.0042790100000000, 0.0068964600000000, 0.0046363300000000 ] - [ 0.0004409700000000, -0.0024347200000000, 0.0060099000000000 ] - [ 0.0050475000000000, -0.0019915300000000, 0.0025833400000000 ] - [ -0.0012058400000000, 0.0043475600000000, 0.0027554500000000 ] - [ 0.0002314600000000, -0.0016163500000000, 0.0057472700000000 ] - [ 0.0015028100000000, 0.0005265400000000, 0.0046378400000000 ] - [ 0.0059698700000000, -0.0012284600000000, 0.0047011400000000 ] - [ 0.0001597200000000, -0.0008023700000000, 0.0002372500000000 ] - [ -0.0038064200000000, -0.0003018500000000, -0.0020315600000000 ] - [ 0.0039170600000000, -0.0012470800000000, -0.0017542000000000 ] - [ 0.0001675800000000, -0.0008472500000000, 0.0002634200000000 ] - [ -0.0071230300000000, 0.0006156700000000, 0.0029346500000000 ] - [ -0.0026386800000000, 0.0014600900000000, 0.0000053100000000 ] - [ 0.0005624000000000, -0.0014406100000000, 0.0000856300000000 ] - [ 0.0003801500000000, -0.0016822600000000, 0.0003769600000000 ] - [ -0.0004332900000000, 0.0005493600000000, 0.0001104200000000 ] - [ 0.0005720200000000, -0.0011206700000000, 0.0002006000000000 ] - [ 0.0001065500000000, -0.0011923500000000, 0.0001541500000000 ] - [ 0.0017490100000000, 0.0039849300000000, 0.0060153400000000 ] - [ -0.0010935300000000, -0.0040299400000000, 0.0037028700000000 ] - [ 0.0011026200000000, -0.0015480000000000, 0.0033739500000000 ] - [ -0.0003949700000000, 0.0014295000000000, 0.0051369400000000 ] - [ -0.0008097400000000, -0.0047412900000000, 0.0028838000000000 ] - [ 0.0012396800000000, -0.0004952300000000, 0.0047329000000000 ] - [ -0.0094910400000000, 0.0378445200000000, 0.0395545600000000 ] - [ -0.0022385100000000, -0.0123253700000000, 0.0022780400000000 ] - [ 0.0010749300000000, -0.0073322700000000, 0.0001565400000000 ] - [ 0.0009906500000000, 0.0110738700000000, 0.0160574600000000 ] - [ -0.0026010700000000, -0.0056120600000000, -0.0010795500000000 ] - [ 0.0005371000000000, -0.0057134000000000, 0.0018643200000000 ]- atom: 13 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000627100000000, 0.0035492100000000, -0.0004057400000000 ] - [ 0.0007947500000000, -0.0014423800000000, 0.0000942600000000 ] - [ -0.0005937500000000, -0.0011723100000000, -0.0004137500000000 ] - [ -0.0002942000000000, 0.0037478000000000, 0.0002914600000000 ] - [ 0.0006484500000000, -0.0012117900000000, -0.0003644900000000 ] - [ -0.0008386600000000, -0.0013310800000000, 0.0001487900000000 ] - [ 0.0042699700000000, -0.0006622500000000, -0.0005122300000000 ] - [ -0.0000280500000000, -0.0018713100000000, -0.0002086600000000 ] - [ -0.0039931700000000, -0.0008618000000000, -0.0004169800000000 ] - [ 0.0009981500000000, 0.0004900100000000, 0.0000163500000000 ] - [ -0.0000273200000000, -0.0015388700000000, -0.0001323100000000 ] - [ -0.0009754500000000, 0.0006758700000000, 0.0000531500000000 ] - [ 0.0208107200000000, 0.2525917700000000, -0.0078623900000000 ] - [ 0.0002751000000000, -0.0166561000000000, -0.0105231600000000 ] - [ -0.0002968400000000, -0.0166841800000000, -0.0104581300000000 ] - [ -0.0037216200000000, 0.0229952000000000, -0.0029701700000000 ] - [ 0.0002280500000000, -0.0105593500000000, -0.0073759400000000 ] - [ -0.0002742400000000, -0.0105516300000000, -0.0086042300000000 ] - [ -0.0024276600000000, 0.0032568500000000, -0.0046909600000000 ] - [ 0.0008623700000000, -0.0059380700000000, -0.0073166000000000 ] - [ 0.0026106900000000, 0.0046611700000000, -0.0101839800000000 ] - [ -0.0002543800000000, 0.0032677000000000, -0.0101083200000000 ] - [ 0.0008028000000000, -0.0059392100000000, -0.0072558000000000 ] - [ 0.0020212000000000, 0.0046555200000000, -0.0070043000000000 ] - [ -0.0047097700000000, -0.0258740000000000, 0.0436693100000000 ] - [ -0.0015279800000000, -0.0102769900000000, -0.0064227100000000 ] - [ -0.0042352500000000, -0.0244765100000000, -0.0362904500000000 ] - [ -0.0022354500000000, -0.0259233800000000, -0.0330151200000000 ] - [ -0.0014795400000000, -0.0102796700000000, -0.0063428500000000 ] - [ -0.0087039300000000, -0.0245957700000000, 0.0357716100000000 ] - [ -0.0030804900000000, 0.0106248000000000, -0.0073561800000000 ] - [ 0.0003650500000000, -0.0063828100000000, -0.0082221200000000 ] - [ 0.0021785700000000, -0.0063888000000000, -0.0066116900000000 ] - [ 0.0009169400000000, 0.0058848700000000, -0.0084531200000000 ] - [ 0.0006697600000000, -0.0038775400000000, -0.0074951300000000 ] - [ 0.0011786400000000, -0.0038754400000000, -0.0081158200000000 ] - [ 0.0029718900000000, 0.0152404100000000, -0.0020290800000000 ] - [ -0.0029560100000000, -0.0109326400000000, 0.0039244300000000 ] - [ 0.0029373900000000, -0.0109910000000000, 0.0011950100000000 ] - [ -0.0043876300000000, 0.0217213400000000, -0.0015242300000000 ] - [ -0.0026612900000000, -0.0102461800000000, 0.0013249200000000 ] - [ 0.0045214300000000, -0.0108637000000000, 0.0044773300000000 ] - [ -0.0408029100000000, -0.0112627200000000, -0.0005622100000000 ] - [ -0.0000778400000000, -0.0007685400000000, 0.0015820400000000 ] - [ 0.0263760100000000, -0.0119916000000000, -0.0031004700000000 ] - [ -0.0037557400000000, 0.0081635000000000, 0.0026678000000000 ] - [ 0.0000132300000000, 0.0006637900000000, 0.0017958100000000 ] - [ 0.0045779700000000, 0.0077296800000000, 0.0031533900000000 ] - [ 0.0022527800000000, -0.0150713600000000, -0.0090642500000000 ] - [ -0.0002445600000000, 0.0039609600000000, 0.0065765400000000 ] - [ -0.0021433400000000, 0.0068636500000000, 0.0090501700000000 ] - [ 0.0042147400000000, -0.0113272000000000, -0.0033505100000000 ] - [ -0.0000089700000000, 0.0054813800000000, 0.0081576700000000 ] - [ -0.0017296000000000, 0.0102388500000000, 0.0072401000000000 ] - [ 0.0022019200000000, 0.0092953400000000, 0.0027149700000000 ] - [ -0.0004776100000000, 0.0075778200000000, 0.0007165400000000 ] - [ 0.0034059700000000, -0.0232682000000000, 0.0041985600000000 ] - [ 0.0048634800000000, 0.0091845800000000, -0.0049720100000000 ] - [ -0.0000472800000000, 0.0056045400000000, 0.0018466000000000 ] - [ -0.0020785800000000, -0.0076674900000000, 0.0139016000000000 ] - [ 0.0002040200000000, 0.0000942000000000, -0.0002730700000000 ] - [ 0.0004254900000000, 0.0016705200000000, 0.0001640600000000 ] - [ 0.0001277800000000, -0.0002609200000000, 0.0004952800000000 ] - [ -0.0001739600000000, 0.0000502700000000, 0.0005735700000000 ] - [ 0.0004716400000000, 0.0016763700000000, 0.0001255000000000 ] - [ 0.0007461600000000, -0.0001010000000000, -0.0001498500000000 ] - [ 0.0036407100000000, 0.0030655300000000, 0.0070075700000000 ] - [ -0.0005341400000000, 0.0042000100000000, 0.0023626900000000 ] - [ -0.0007019500000000, -0.0056646700000000, 0.0042413200000000 ] - [ 0.0010644900000000, 0.0018493200000000, 0.0029316600000000 ] - [ -0.0004775000000000, 0.0033822500000000, 0.0030502300000000 ] - [ -0.0003836000000000, -0.0030503900000000, 0.0056212100000000 ] - [ -0.0016174900000000, -0.0056623800000000, 0.0021420400000000 ] - [ 0.0027071200000000, 0.0015383400000000, 0.0031187000000000 ] - [ -0.0000403000000000, 0.0030632800000000, 0.0053656500000000 ] - [ 0.0007067700000000, -0.0043081300000000, 0.0037082400000000 ] - [ 0.0006651700000000, 0.0001566700000000, 0.0048396200000000 ] - [ -0.0003040100000000, 0.0024407300000000, 0.0046149000000000 ] - [ 0.0103966900000000, -0.0004215800000000, -0.0115118600000000 ] - [ 0.0000809000000000, 0.0051998100000000, -0.0032947400000000 ] - [ -0.0032714900000000, 0.0057037700000000, 0.0009662800000000 ] - [ 0.0051378300000000, -0.0011233100000000, -0.0016296200000000 ] - [ 0.0000092000000000, 0.0052218400000000, -0.0033853400000000 ] - [ -0.0043399000000000, 0.0039163300000000, -0.0070519600000000 ] - [ -0.0290677200000000, -0.0263891800000000, -0.0009446900000000 ] - [ -0.0006395800000000, 0.0013837200000000, 0.0003411600000000 ] - [ 0.0016784300000000, 0.0011666800000000, 0.0004888000000000 ] - [ -0.0005732400000000, -0.0026956400000000, -0.0001073900000000 ] - [ -0.0007395100000000, 0.0004623200000000, 0.0000219300000000 ] - [ 0.0009904200000000, 0.0005938600000000, 0.0001981300000000 ] - [ 0.0042545500000000, -0.0716184700000000, 0.0348075000000000 ] - [ 0.0009263200000000, 0.0081204500000000, 0.0014582700000000 ] - [ -0.0008132400000000, 0.0119671400000000, 0.0032672600000000 ] - [ 0.0008689600000000, -0.0068165600000000, 0.0131462000000000 ] - [ 0.0006378300000000, 0.0060995300000000, 0.0021139300000000 ] - [ -0.0025572000000000, 0.0065849600000000, -0.0039272900000000 ] - [ 0.0035189800000000, -0.0167083600000000, -0.0004496600000000 ] - [ 0.0010609200000000, 0.0014589700000000, -0.0041688200000000 ] - [ -0.0014515800000000, 0.0032708300000000, -0.0055670000000000 ] - [ 0.0010170500000000, -0.0063011100000000, -0.0013185700000000 ] - [ 0.0008702700000000, 0.0006525500000000, -0.0049797300000000 ] - [ -0.0014135300000000, -0.0009158200000000, -0.0037657200000000 ] - [ 0.0043045700000000, -0.0048279900000000, 0.0043440100000000 ] - [ -0.0003775300000000, 0.0044979100000000, 0.0029495900000000 ] - [ -0.0049887600000000, 0.0040577400000000, 0.0063771700000000 ] - [ 0.0012693300000000, -0.0022737500000000, 0.0061932000000000 ] - [ -0.0001671300000000, 0.0036795300000000, 0.0032119900000000 ] - [ -0.0014385000000000, 0.0015407100000000, 0.0043181400000000 ] - [ -0.0062364700000000, 0.0023172600000000, -0.0043626900000000 ] - [ -0.0003911200000000, 0.0019008500000000, 0.0000807700000000 ] - [ 0.0035848900000000, 0.0013918000000000, 0.0023485500000000 ] - [ -0.0041551200000000, 0.0023444900000000, 0.0020574700000000 ] - [ -0.0004048600000000, 0.0019452100000000, 0.0000527800000000 ] - [ 0.0068736400000000, 0.0004851000000000, -0.0026279100000000 ] - [ 0.0027916000000000, -0.0025565000000000, 0.0003129900000000 ] - [ -0.0003403600000000, 0.0003491100000000, 0.0002317100000000 ] - [ -0.0001560600000000, 0.0005778500000000, -0.0000584400000000 ] - [ 0.0006443600000000, -0.0016491200000000, 0.0002047700000000 ] - [ -0.0003443300000000, 0.0000236800000000, 0.0001162200000000 ] - [ 0.0001249500000000, 0.0000934700000000, 0.0001623600000000 ] - [ -0.0016703600000000, -0.0060286000000000, 0.0029457200000000 ] - [ 0.0011544800000000, 0.0019597000000000, 0.0052563400000000 ] - [ -0.0010401700000000, -0.0005220400000000, 0.0055833400000000 ] - [ 0.0004218900000000, -0.0035127900000000, 0.0037888500000000 ] - [ 0.0008740500000000, 0.0026714700000000, 0.0060721000000000 ] - [ -0.0011795300000000, -0.0015705400000000, 0.0042271200000000 ] - [ 0.0100007700000000, -0.0397390100000000, -0.0337243300000000 ] - [ 0.0019676000000000, 0.0112086000000000, 0.0057045500000000 ] - [ -0.0013438400000000, 0.0062666500000000, 0.0078010500000000 ] - [ -0.0012519300000000, -0.0121513700000000, -0.0081649600000000 ] - [ 0.0023344200000000, 0.0045512000000000, 0.0090297900000000 ] - [ -0.0008044600000000, 0.0046519200000000, 0.0060890400000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0032756600000000, -0.0000462800000000, 0.0013059700000000 ] - [ 0.0002781000000000, -0.0004382700000000, -0.0000403400000000 ] - [ 0.0004451100000000, 0.0008119200000000, -0.0001062800000000 ] - [ -0.0039602500000000, -0.0003915400000000, 0.0010906500000000 ] - [ -0.0006856200000000, 0.0011185900000000, -0.0002774300000000 ] - [ -0.0003852100000000, -0.0004170900000000, -0.0001956400000000 ] - [ 0.0001673300000000, -0.0001161700000000, -0.0028049800000000 ] - [ -0.0000070500000000, -0.0000062800000000, -0.0004374500000000 ] - [ 0.0002693500000000, -0.0001559000000000, -0.0023988200000000 ] - [ -0.0003717400000000, -0.0001547500000000, 0.0017609800000000 ] - [ -0.0000392100000000, 0.0000137600000000, 0.0001393200000000 ] - [ 0.0000152100000000, -0.0002557900000000, 0.0015518200000000 ] - [ -0.0142569200000000, 0.0017649800000000, -0.2459004400000000 ] - [ -0.0010396500000000, 0.0024497100000000, -0.0180629500000000 ] - [ -0.0001652700000000, 0.0025401100000000, -0.0180430100000000 ] - [ -0.0003380400000000, -0.0050447500000000, 0.0157423900000000 ] - [ -0.0012714300000000, 0.0005909200000000, 0.0006158200000000 ] - [ -0.0011313500000000, -0.0006441500000000, 0.0006148800000000 ] - [ -0.0016068900000000, -0.0021014700000000, -0.0080643900000000 ] - [ 0.0008330300000000, 0.0007653200000000, -0.0076878500000000 ] - [ -0.0005833000000000, 0.0010039000000000, -0.0077054600000000 ] - [ 0.0032799400000000, 0.0033727900000000, -0.0080519000000000 ] - [ 0.0008178700000000, 0.0007061900000000, -0.0076895900000000 ] - [ 0.0016736500000000, -0.0021792700000000, -0.0077062400000000 ] - [ -0.0030867500000000, -0.0250899200000000, 0.0205408600000000 ] - [ -0.0007404300000000, 0.0016804300000000, -0.0078363500000000 ] - [ 0.0042737700000000, 0.0436672400000000, 0.0227475500000000 ] - [ 0.0009075700000000, 0.0521367300000000, 0.0205896800000000 ] - [ -0.0005539800000000, 0.0016052600000000, -0.0078417400000000 ] - [ -0.0051420700000000, -0.0283505000000000, 0.0228033600000000 ] - [ 0.0014771100000000, -0.0006885200000000, -0.0138984900000000 ] - [ 0.0006325200000000, -0.0014059700000000, -0.0096927400000000 ] - [ 0.0000497300000000, 0.0002065600000000, -0.0096917600000000 ] - [ 0.0001392600000000, 0.0004431500000000, -0.0012868700000000 ] - [ 0.0007800000000000, 0.0001017800000000, -0.0055284000000000 ] - [ 0.0007475100000000, -0.0005271300000000, -0.0055304800000000 ] - [ -0.0195574900000000, -0.0129147800000000, 0.0206827700000000 ] - [ -0.0009645100000000, -0.0075526500000000, 0.0033298600000000 ] - [ -0.0023660300000000, -0.0024632500000000, 0.0033999800000000 ] - [ 0.0421095200000000, -0.0065022500000000, 0.0169245300000000 ] - [ 0.0027250800000000, -0.0021500400000000, 0.0013370300000000 ] - [ 0.0022880100000000, -0.0074732100000000, 0.0006784800000000 ] - [ -0.0137852900000000, 0.0006751400000000, -0.0121290800000000 ] - [ 0.0000378700000000, 0.0062003500000000, 0.0013638100000000 ] - [ -0.0073347300000000, 0.0131128300000000, -0.0170108100000000 ] - [ 0.0021429800000000, 0.0047865500000000, 0.0104025200000000 ] - [ 0.0002155500000000, 0.0057632100000000, 0.0032612700000000 ] - [ 0.0004316700000000, 0.0053539700000000, 0.0078576500000000 ] - [ 0.0004881800000000, -0.0024271200000000, -0.0062634700000000 ] - [ -0.0004133000000000, -0.0013405600000000, 0.0031753800000000 ] - [ 0.0030747400000000, -0.0120982000000000, -0.0029056100000000 ] - [ -0.0059044300000000, 0.0007762600000000, 0.0388553600000000 ] - [ 0.0001715700000000, -0.0028179400000000, 0.0049166400000000 ] - [ -0.0011052000000000, 0.0093568600000000, 0.0098860300000000 ] - [ -0.0040674700000000, -0.0120970300000000, 0.0155353900000000 ] - [ 0.0001223000000000, 0.0000170000000000, 0.0058973000000000 ] - [ 0.0071350800000000, -0.0144249300000000, 0.0227261200000000 ] - [ 0.0031889900000000, 0.0070629100000000, -0.0043605700000000 ] - [ -0.0005649900000000, -0.0005357300000000, 0.0030264500000000 ] - [ 0.0013940700000000, 0.0045619700000000, -0.0108815200000000 ] - [ 0.0007618900000000, 0.0010312100000000, 0.0003426800000000 ] - [ -0.0000278500000000, 0.0004512500000000, 0.0001675800000000 ] - [ -0.0001524200000000, 0.0002062400000000, 0.0002293000000000 ] - [ 0.0001810000000000, 0.0000819600000000, 0.0000097300000000 ] - [ 0.0003616700000000, 0.0004611800000000, 0.0001324000000000 ] - [ 0.0005821200000000, 0.0010929400000000, 0.0001009400000000 ] - [ 0.0017924700000000, 0.0006476500000000, 0.0072205100000000 ] - [ 0.0000010900000000, 0.0003153100000000, 0.0047746700000000 ] - [ -0.0010712300000000, 0.0021251900000000, 0.0066626400000000 ] - [ -0.0002489100000000, 0.0012431200000000, 0.0020167400000000 ] - [ 0.0005029500000000, 0.0002550400000000, 0.0033248000000000 ] - [ 0.0012689800000000, 0.0000544700000000, 0.0017192700000000 ] - [ 0.0017010800000000, -0.0002154400000000, 0.0065527000000000 ] - [ 0.0011164300000000, 0.0011735100000000, 0.0046967400000000 ] - [ 0.0005712800000000, -0.0007600100000000, 0.0045054300000000 ] - [ -0.0027846100000000, 0.0007302500000000, 0.0001893600000000 ] - [ -0.0006774900000000, -0.0018861000000000, 0.0026029500000000 ] - [ -0.0001286200000000, -0.0007519300000000, 0.0033513700000000 ] - [ 0.0056008500000000, 0.0053877600000000, -0.0043908400000000 ] - [ -0.0000660800000000, 0.0023049800000000, -0.0036251600000000 ] - [ 0.0048237200000000, -0.0027518800000000, -0.0027829000000000 ] - [ -0.0067866500000000, -0.0031535100000000, -0.0102719000000000 ] - [ -0.0000419900000000, 0.0011464700000000, -0.0044053900000000 ] - [ -0.0027488000000000, 0.0047129200000000, -0.0065318000000000 ] - [ 0.0112932300000000, 0.0012180100000000, 0.0215219300000000 ] - [ 0.0000123200000000, -0.0005851500000000, 0.0010594900000000 ] - [ -0.0007523200000000, -0.0008390900000000, 0.0010080500000000 ] - [ -0.0000629800000000, -0.0000407200000000, -0.0023089700000000 ] - [ 0.0002397900000000, -0.0006540700000000, -0.0007308600000000 ] - [ -0.0000885200000000, -0.0006006100000000, -0.0005864600000000 ] - [ 0.0033198200000000, -0.0305917200000000, 0.0312821500000000 ] - [ -0.0004649300000000, 0.0002308900000000, 0.0055079000000000 ] - [ 0.0003623900000000, -0.0118488200000000, 0.0131870100000000 ] - [ -0.0017127600000000, 0.0064657300000000, -0.0085797500000000 ] - [ 0.0000217200000000, 0.0005557700000000, 0.0041321100000000 ] - [ -0.0015476700000000, 0.0069738500000000, -0.0041180200000000 ] - [ 0.0005922800000000, -0.0043777900000000, 0.0094120400000000 ] - [ -0.0003656900000000, -0.0027199200000000, -0.0024536400000000 ] - [ -0.0004855300000000, -0.0058140800000000, -0.0019023300000000 ] - [ -0.0001397700000000, 0.0005946700000000, -0.0116777200000000 ] - [ -0.0002041400000000, -0.0019977900000000, -0.0053095200000000 ] - [ 0.0003663100000000, -0.0012773000000000, -0.0056002300000000 ] - [ 0.0010474500000000, -0.0014976700000000, 0.0059337700000000 ] - [ -0.0000459000000000, 0.0009310900000000, 0.0048218800000000 ] - [ 0.0004840700000000, 0.0001593300000000, 0.0052841300000000 ] - [ -0.0007247100000000, 0.0024479500000000, 0.0026639600000000 ] - [ 0.0000296700000000, 0.0010258300000000, 0.0042363000000000 ] - [ -0.0001210600000000, 0.0023465600000000, 0.0030756100000000 ] - [ -0.0037249400000000, 0.0028018600000000, -0.0020876600000000 ] - [ -0.0000283700000000, 0.0003812600000000, 0.0001446700000000 ] - [ -0.0051992600000000, -0.0020817800000000, -0.0015220300000000 ] - [ 0.0074624300000000, -0.0039064200000000, -0.0008744300000000 ] - [ -0.0002083500000000, 0.0004583600000000, 0.0001953600000000 ] - [ 0.0037604700000000, 0.0026438600000000, -0.0014795900000000 ] - [ -0.0002905100000000, -0.0004291000000000, 0.0013980200000000 ] - [ 0.0003646700000000, -0.0005418200000000, 0.0005109500000000 ] - [ 0.0002749200000000, -0.0006054900000000, 0.0004982800000000 ] - [ 0.0003486700000000, -0.0005977600000000, -0.0010363600000000 ] - [ 0.0002573900000000, -0.0006446500000000, -0.0002180400000000 ] - [ 0.0001521900000000, -0.0005445700000000, -0.0001770300000000 ] - [ 0.0037611800000000, 0.0006004800000000, 0.0016425500000000 ] - [ 0.0003856700000000, -0.0011963500000000, 0.0037092100000000 ] - [ 0.0007646400000000, -0.0018885900000000, 0.0030943800000000 ] - [ -0.0031438500000000, -0.0027123000000000, 0.0081416400000000 ] - [ -0.0007043400000000, -0.0010931800000000, 0.0052976900000000 ] - [ -0.0000824000000000, 0.0000859300000000, 0.0057861300000000 ] - [ -0.0100034300000000, 0.0230531800000000, 0.0560632400000000 ] - [ 0.0009716600000000, 0.0083746300000000, 0.0090427300000000 ] - [ -0.0003611000000000, -0.0015038800000000, 0.0044184300000000 ] - [ -0.0009005600000000, -0.0034751400000000, -0.0088867400000000 ] - [ -0.0036597700000000, -0.0099745000000000, -0.0057838700000000 ] - [ 0.0000592500000000, -0.0010464700000000, 0.0029426400000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0032744700000000, 0.0003224100000000, -0.0015782400000000 ] - [ -0.0002767700000000, 0.0007123200000000, -0.0002547900000000 ] - [ -0.0004428500000000, -0.0005253400000000, -0.0001890400000000 ] - [ 0.0039385100000000, 0.0006680100000000, -0.0014153900000000 ] - [ 0.0006841100000000, -0.0008351600000000, -0.0000262300000000 ] - [ 0.0003841500000000, 0.0006964700000000, -0.0001081000000000 ] - [ -0.0001335800000000, -0.0002072200000000, 0.0024944000000000 ] - [ 0.0000073700000000, -0.0002731500000000, 0.0001379900000000 ] - [ -0.0002269400000000, -0.0000744300000000, 0.0020901700000000 ] - [ 0.0003697000000000, -0.0001268500000000, -0.0020503400000000 ] - [ 0.0000391900000000, -0.0002920200000000, -0.0004389000000000 ] - [ -0.0000165000000000, -0.0000230400000000, -0.0018415500000000 ] - [ 0.0089403500000000, -0.0017551700000000, 0.2309514000000000 ] - [ -0.0006590300000000, -0.0030771000000000, 0.0026050500000000 ] - [ -0.0015341400000000, -0.0031590200000000, 0.0026250200000000 ] - [ -0.0013537500000000, 0.0043523400000000, -0.0309572700000000 ] - [ -0.0004136800000000, -0.0012281100000000, -0.0159544900000000 ] - [ -0.0005552100000000, -0.0000089400000000, -0.0159555700000000 ] - [ 0.0032868800000000, 0.0027531900000000, -0.0073345400000000 ] - [ 0.0008518300000000, -0.0001122500000000, -0.0076990000000000 ] - [ 0.0022822700000000, -0.0003681100000000, -0.0076785700000000 ] - [ -0.0015566800000000, -0.0026691400000000, -0.0073227100000000 ] - [ 0.0008674500000000, -0.0000523200000000, -0.0077007600000000 ] - [ 0.0000374500000000, 0.0027923300000000, -0.0076792700000000 ] - [ 0.0013993100000000, 0.0256558600000000, -0.0356939100000000 ] - [ -0.0009429900000000, -0.0010196600000000, -0.0075475900000000 ] - [ -0.0059132300000000, -0.0429922300000000, -0.0380681800000000 ] - [ -0.0025907800000000, -0.0508446900000000, -0.0356477500000000 ] - [ -0.0011303300000000, -0.0009424400000000, -0.0075526000000000 ] - [ 0.0034181900000000, 0.0287852900000000, -0.0380136200000000 ] - [ 0.0003557700000000, 0.0000006900000000, -0.0015415100000000 ] - [ 0.0010640200000000, 0.0007606700000000, -0.0057105100000000 ] - [ 0.0016445100000000, -0.0008509900000000, -0.0057095700000000 ] - [ 0.0015686300000000, -0.0010888400000000, -0.0140610000000000 ] - [ 0.0009047900000000, -0.0007411200000000, -0.0098442700000000 ] - [ 0.0009382900000000, -0.0001258500000000, -0.0098463400000000 ] - [ 0.0196110700000000, 0.0020978000000000, -0.0162766800000000 ] - [ 0.0009572200000000, -0.0032680400000000, 0.0011205100000000 ] - [ 0.0023513100000000, -0.0083446400000000, 0.0010498700000000 ] - [ -0.0415953200000000, -0.0043883000000000, -0.0122365800000000 ] - [ -0.0027096400000000, -0.0086344700000000, 0.0031012200000000 ] - [ -0.0022809800000000, -0.0033534200000000, 0.0037568100000000 ] - [ 0.0136672200000000, 0.0101773500000000, 0.0164800700000000 ] - [ -0.0000411500000000, 0.0046196600000000, 0.0030742000000000 ] - [ 0.0073142000000000, -0.0022913000000000, 0.0214082700000000 ] - [ -0.0021230500000000, 0.0060437300000000, -0.0058962900000000 ] - [ -0.0002156900000000, 0.0050531100000000, 0.0011897900000000 ] - [ -0.0004239400000000, 0.0054438100000000, -0.0033864800000000 ] - [ -0.0005618400000000, 0.0002873500000000, 0.0151078600000000 ] - [ 0.0003500300000000, -0.0007293000000000, 0.0057763600000000 ] - [ -0.0031162900000000, 0.0099747900000000, 0.0118250900000000 ] - [ 0.0060524700000000, -0.0010704800000000, -0.0271175900000000 ] - [ -0.0002307200000000, 0.0007354600000000, 0.0040465100000000 ] - [ 0.0010328300000000, -0.0113883800000000, -0.0009055000000000 ] - [ 0.0037838000000000, 0.0130544600000000, -0.0075066900000000 ] - [ -0.0003855700000000, 0.0010342200000000, 0.0020709000000000 ] - [ -0.0069746100000000, 0.0143046600000000, -0.0142885300000000 ] - [ -0.0034309100000000, -0.0059705300000000, 0.0122637900000000 ] - [ 0.0002957500000000, 0.0015923200000000, 0.0049251000000000 ] - [ -0.0016564200000000, -0.0034469800000000, 0.0187489200000000 ] - [ -0.0005493800000000, 0.0000685100000000, -0.0000275000000000 ] - [ 0.0002517000000000, 0.0006452800000000, 0.0001505300000000 ] - [ 0.0003609000000000, 0.0008869600000000, 0.0000833400000000 ] - [ 0.0000216000000000, 0.0010105600000000, 0.0003102000000000 ] - [ -0.0001379500000000, 0.0006347100000000, 0.0001852700000000 ] - [ -0.0003762700000000, 0.0000030500000000, 0.0002215300000000 ] - [ -0.0015166600000000, 0.0004036700000000, 0.0007628000000000 ] - [ 0.0002685100000000, 0.0007431000000000, 0.0031892200000000 ] - [ 0.0013171800000000, -0.0010356500000000, 0.0013025900000000 ] - [ 0.0005153400000000, -0.0001808300000000, 0.0059273900000000 ] - [ -0.0002318200000000, 0.0008063000000000, 0.0046276500000000 ] - [ -0.0010027100000000, 0.0010136700000000, 0.0062222300000000 ] - [ -0.0014298000000000, -0.0008259600000000, 0.0014210300000000 ] - [ -0.0008461500000000, -0.0022334000000000, 0.0032630500000000 ] - [ -0.0002999600000000, -0.0003043900000000, 0.0034534200000000 ] - [ 0.0030229900000000, -0.0017755400000000, 0.0077372600000000 ] - [ 0.0009411300000000, 0.0008091600000000, 0.0053408600000000 ] - [ 0.0003974200000000, -0.0003116200000000, 0.0046018800000000 ] - [ -0.0055422000000000, -0.0011185600000000, -0.0034596400000000 ] - [ 0.0000667700000000, 0.0019444100000000, -0.0042064100000000 ] - [ -0.0048041600000000, 0.0069890400000000, -0.0050540900000000 ] - [ 0.0067340800000000, 0.0073623100000000, 0.0023756500000000 ] - [ 0.0000450900000000, 0.0030941800000000, -0.0034316900000000 ] - [ 0.0027337800000000, -0.0004365800000000, -0.0013124300000000 ] - [ -0.0101003300000000, -0.0022592100000000, -0.0211086400000000 ] - [ -0.0002298200000000, -0.0005055800000000, -0.0007355800000000 ] - [ 0.0005268900000000, -0.0002629800000000, -0.0006867700000000 ] - [ -0.0001479600000000, -0.0010518800000000, 0.0026133000000000 ] - [ -0.0004679500000000, -0.0004446300000000, 0.0010418700000000 ] - [ -0.0001385500000000, -0.0004965300000000, 0.0008992400000000 ] - [ -0.0031658400000000, 0.0344093200000000, -0.0229939300000000 ] - [ 0.0004009700000000, 0.0018310800000000, 0.0034548800000000 ] - [ -0.0004216700000000, 0.0138603500000000, -0.0041933400000000 ] - [ 0.0016346900000000, -0.0043807000000000, 0.0174291200000000 ] - [ -0.0000834900000000, 0.0015053300000000, 0.0048262600000000 ] - [ 0.0014800600000000, -0.0048747600000000, 0.0130298400000000 ] - [ -0.0011224900000000, -0.0000102800000000, -0.0173026500000000 ] - [ 0.0003643600000000, -0.0015370000000000, -0.0053685800000000 ] - [ 0.0004846600000000, 0.0015555100000000, -0.0059237600000000 ] - [ 0.0001276100000000, -0.0048366700000000, 0.0038092700000000 ] - [ 0.0002068300000000, -0.0022548400000000, -0.0025319300000000 ] - [ -0.0003625700000000, -0.0029648400000000, -0.0022425700000000 ] - [ -0.0009992600000000, 0.0035321500000000, 0.0030519000000000 ] - [ 0.0001089900000000, 0.0011320700000000, 0.0041392500000000 ] - [ -0.0004173400000000, 0.0019031500000000, 0.0036749600000000 ] - [ 0.0007787500000000, -0.0003732600000000, 0.0062802400000000 ] - [ 0.0000341300000000, 0.0010355300000000, 0.0047225300000000 ] - [ 0.0001820900000000, -0.0002687900000000, 0.0058739500000000 ] - [ 0.0034732400000000, -0.0017007300000000, 0.0023816500000000 ] - [ -0.0001947500000000, 0.0007150900000000, 0.0001725300000000 ] - [ 0.0049273600000000, 0.0031838400000000, 0.0018264400000000 ] - [ -0.0076664800000000, 0.0049559400000000, 0.0011768200000000 ] - [ -0.0000208400000000, 0.0006374500000000, 0.0001222100000000 ] - [ -0.0039613700000000, -0.0015380500000000, 0.0017922800000000 ] - [ 0.0004329500000000, -0.0006626300000000, -0.0010752900000000 ] - [ -0.0001494400000000, -0.0005469200000000, -0.0001904400000000 ] - [ -0.0000611200000000, -0.0004981700000000, -0.0001776500000000 ] - [ -0.0001459900000000, -0.0004996900000000, 0.0013485000000000 ] - [ -0.0000367200000000, -0.0004528700000000, 0.0005327800000000 ] - [ 0.0000716100000000, -0.0005520400000000, 0.0004922400000000 ] - [ -0.0036893000000000, -0.0026665700000000, 0.0073034600000000 ] - [ -0.0003203000000000, -0.0008732600000000, 0.0052427200000000 ] - [ -0.0006973800000000, -0.0001790500000000, 0.0058570700000000 ] - [ 0.0031401500000000, 0.0006114500000000, 0.0008130100000000 ] - [ 0.0007616100000000, -0.0009739100000000, 0.0036682800000000 ] - [ 0.0001435600000000, -0.0021386200000000, 0.0031837800000000 ] - [ 0.0111894500000000, -0.0272022300000000, -0.0516494000000000 ] - [ -0.0012258700000000, -0.0093793500000000, -0.0010572000000000 ] - [ 0.0000963200000000, 0.0004312600000000, 0.0035325100000000 ] - [ 0.0006330800000000, 0.0024233700000000, 0.0167474800000000 ] - [ 0.0033826700000000, 0.0088490000000000, 0.0136917400000000 ] - [ -0.0003262400000000, -0.0000174900000000, 0.0050081800000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0048758600000000, 0.0001381600000000, -0.0001488600000000 ] - [ 0.0012361500000000, 0.0001388900000000, -0.0001479100000000 ] - [ 0.0009102300000000, 0.0001375600000000, -0.0001492900000000 ] - [ 0.0016141700000000, 0.0001402000000000, -0.0001500800000000 ] - [ 0.0005295500000000, 0.0001387800000000, -0.0001498300000000 ] - [ 0.0004856300000000, 0.0001370600000000, -0.0001487500000000 ] - [ 0.0019254900000000, -0.0001367400000000, -0.0001470200000000 ] - [ 0.0003923700000000, -0.0001402500000000, -0.0001477100000000 ] - [ 0.0016482800000000, -0.0001385400000000, -0.0001476700000000 ] - [ 0.0024467700000000, -0.0001367900000000, -0.0001504400000000 ] - [ 0.0003898800000000, -0.0001385700000000, -0.0001505100000000 ] - [ 0.0020643000000000, -0.0001390200000000, -0.0001491400000000 ] - [ 0.0030336500000000, -0.0033193400000000, -0.0272208200000000 ] - [ -0.0002901700000000, -0.0032650500000000, -0.0100521400000000 ] - [ -0.0012079200000000, 0.0026271400000000, -0.0086525900000000 ] - [ 0.0072212700000000, 0.0040463900000000, 0.0339763200000000 ] - [ -0.0004608200000000, -0.0048405200000000, -0.0054153500000000 ] - [ -0.0013756600000000, 0.0023286900000000, -0.0049794700000000 ] - [ 0.0032302400000000, 0.0414463800000000, 0.0060708700000000 ] - [ 0.0007998400000000, 0.0003976500000000, -0.0077319700000000 ] - [ 0.0084827900000000, -0.0260431700000000, -0.0003458200000000 ] - [ 0.0001296600000000, 0.0040840300000000, -0.0098291100000000 ] - [ 0.0008444300000000, 0.0003050900000000, -0.0079092500000000 ] - [ 0.0013685800000000, -0.0042595000000000, -0.0081220200000000 ] - [ 0.0016654600000000, -0.0405018300000000, -0.0213801100000000 ] - [ -0.0008683300000000, 0.0002418900000000, -0.0076531600000000 ] - [ 0.0067783900000000, 0.0265355700000000, -0.0149949500000000 ] - [ -0.0015215200000000, -0.0034241100000000, -0.0055641300000000 ] - [ -0.0008290700000000, 0.0003317000000000, -0.0074780700000000 ] - [ -0.0003020700000000, 0.0049046800000000, -0.0072674000000000 ] - [ 0.0046934700000000, 0.0026755200000000, 0.0119459600000000 ] - [ 0.0013816900000000, 0.0026068300000000, -0.0053364400000000 ] - [ 0.0004605100000000, -0.0032864400000000, -0.0067317500000000 ] - [ 0.0088663400000000, -0.0046934900000000, -0.0497272200000000 ] - [ 0.0012099800000000, 0.0041919900000000, -0.0099840100000000 ] - [ 0.0002941200000000, -0.0029911500000000, -0.0104136300000000 ] - [ -0.0872251800000000, -0.0056806700000000, 0.0026668300000000 ] - [ -0.0047655200000000, -0.0054310200000000, 0.0022272900000000 ] - [ -0.0047657800000000, -0.0054110100000000, 0.0022247900000000 ] - [ -0.0067534800000000, -0.0053948100000000, 0.0022302000000000 ] - [ -0.0023568800000000, -0.0054155000000000, 0.0022214300000000 ] - [ -0.0023565000000000, -0.0054121400000000, 0.0022213000000000 ] - [ -0.0113586500000000, 0.0053844100000000, 0.0021334800000000 ] - [ -0.0018384000000000, 0.0054068400000000, 0.0022192200000000 ] - [ -0.0112478800000000, 0.0054113800000000, 0.0022135700000000 ] - [ -0.0113587200000000, 0.0053383900000000, 0.0022522500000000 ] - [ -0.0018381600000000, 0.0054067700000000, 0.0022216400000000 ] - [ -0.0112479500000000, 0.0054215000000000, 0.0022192300000000 ] - [ 0.0052137600000000, 0.0092509800000000, 0.0026192600000000 ] - [ 0.0007343700000000, -0.0000552100000000, 0.0051766300000000 ] - [ 0.0019446400000000, -0.0075299900000000, 0.0021328500000000 ] - [ 0.0021784600000000, 0.0002029800000000, 0.0075382400000000 ] - [ 0.0006081600000000, -0.0007138200000000, 0.0051031700000000 ] - [ 0.0008521200000000, -0.0025759800000000, 0.0043217900000000 ] - [ 0.0013398800000000, 0.0013514200000000, 0.0034346100000000 ] - [ 0.0005389800000000, -0.0000058400000000, 0.0043205200000000 ] - [ 0.0019171400000000, -0.0020322200000000, 0.0072278400000000 ] - [ 0.0033734900000000, 0.0073747100000000, -0.0014527300000000 ] - [ 0.0005414800000000, -0.0001850500000000, 0.0040250500000000 ] - [ -0.0006831200000000, -0.0087973600000000, 0.0026332200000000 ] - [ -0.0053336800000000, -0.0021774200000000, -0.0008211600000000 ] - [ -0.0002923000000000, 0.0005622200000000, 0.0002044000000000 ] - [ -0.0035991100000000, 0.0014691800000000, -0.0001717700000000 ] - [ -0.0008869700000000, 0.0002853800000000, 0.0003174200000000 ] - [ -0.0002158300000000, 0.0005442700000000, 0.0001906300000000 ] - [ -0.0008900800000000, 0.0008241800000000, 0.0002701800000000 ] - [ 0.0016183200000000, -0.0002816900000000, 0.0045256100000000 ] - [ 0.0007999600000000, 0.0010770900000000, 0.0036244100000000 ] - [ 0.0021863800000000, 0.0030953900000000, 0.0007088300000000 ] - [ 0.0036640000000000, -0.0063396000000000, 0.0094225200000000 ] - [ 0.0008050100000000, 0.0012535800000000, 0.0039229400000000 ] - [ -0.0002171000000000, 0.0097920600000000, 0.0052470600000000 ] - [ 0.0026323700000000, 0.0007470500000000, -0.0027649600000000 ] - [ 0.0036502700000000, -0.0060939000000000, -0.0005421000000000 ] - [ 0.0009344300000000, 0.0000521200000000, 0.0044418000000000 ] - [ 0.0040331100000000, 0.0036467900000000, 0.0101509700000000 ] - [ 0.0012638400000000, -0.0015142100000000, 0.0043852400000000 ] - [ 0.0008958600000000, 0.0000383600000000, 0.0046300700000000 ] - [ 0.0167840900000000, 0.0021660600000000, -0.0038797300000000 ] - [ 0.0006413400000000, 0.0021247100000000, -0.0039097700000000 ] - [ 0.0056366900000000, 0.0021134100000000, -0.0039110100000000 ] - [ 0.0024804900000000, 0.0021204500000000, -0.0039212800000000 ] - [ 0.0006791600000000, 0.0021216600000000, -0.0039120200000000 ] - [ 0.0016352300000000, 0.0021213800000000, -0.0039103200000000 ] - [ -0.0034605300000000, -0.0006933100000000, 0.0009212500000000 ] - [ -0.0009007800000000, -0.0003497300000000, 0.0002938200000000 ] - [ -0.0008321500000000, -0.0007536800000000, 0.0001648300000000 ] - [ -0.0046427800000000, -0.0015257600000000, -0.0020099200000000 ] - [ -0.0008396100000000, -0.0002607800000000, -0.0000432400000000 ] - [ -0.0007473700000000, -0.0007185000000000, -0.0000986400000000 ] - [ 0.0015755700000000, 0.0044345300000000, 0.0107782300000000 ] - [ 0.0004553200000000, 0.0019475200000000, 0.0044038700000000 ] - [ 0.0020818700000000, -0.0035239100000000, 0.0087268700000000 ] - [ 0.0036822500000000, 0.0064976200000000, -0.0008972800000000 ] - [ 0.0006584500000000, 0.0021430000000000, 0.0040848600000000 ] - [ 0.0015873700000000, 0.0003480300000000, 0.0048170100000000 ] - [ 0.0052947600000000, -0.0021317100000000, -0.0038960300000000 ] - [ 0.0011547800000000, -0.0021172800000000, -0.0039124700000000 ] - [ 0.0011689800000000, -0.0021180400000000, -0.0039118300000000 ] - [ 0.0160584900000000, -0.0021094800000000, -0.0038994200000000 ] - [ 0.0012869100000000, -0.0021181900000000, -0.0039127200000000 ] - [ 0.0015561400000000, -0.0021195900000000, -0.0039122700000000 ] - [ 0.0016655900000000, -0.0024141100000000, -0.0018624400000000 ] - [ 0.0005146500000000, 0.0001250400000000, 0.0045527700000000 ] - [ 0.0021430300000000, 0.0055950100000000, 0.0002253800000000 ] - [ 0.0037787400000000, -0.0044533500000000, 0.0098808400000000 ] - [ 0.0007190400000000, -0.0000728800000000, 0.0048741900000000 ] - [ 0.0016468800000000, 0.0017218500000000, 0.0041433000000000 ] - [ -0.0056131100000000, 0.0032734700000000, 0.0011466500000000 ] - [ -0.0005464600000000, 0.0005437500000000, 0.0001130000000000 ] - [ -0.0038608000000000, -0.0003536300000000, 0.0004877700000000 ] - [ -0.0011449200000000, 0.0008162900000000, -0.0000019700000000 ] - [ -0.0004736800000000, 0.0005612200000000, 0.0001259600000000 ] - [ -0.0011418100000000, 0.0002796000000000, 0.0000461700000000 ] - [ -0.0032011900000000, -0.0004058300000000, -0.0006100100000000 ] - [ -0.0006405000000000, -0.0007546400000000, 0.0000232700000000 ] - [ -0.0005812800000000, -0.0003475200000000, 0.0001520100000000 ] - [ -0.0043655400000000, 0.0004171200000000, 0.0023384800000000 ] - [ -0.0005823900000000, -0.0008441100000000, 0.0003597100000000 ] - [ -0.0004926800000000, -0.0003830700000000, 0.0004154500000000 ] - [ 0.0064304300000000, -0.0108847700000000, 0.0059848500000000 ] - [ 0.0007968400000000, -0.0020095500000000, 0.0037839700000000 ] - [ 0.0020083900000000, 0.0054842800000000, 0.0068337500000000 ] - [ 0.0022520800000000, -0.0022767500000000, 0.0014092000000000 ] - [ 0.0006686300000000, -0.0013445700000000, 0.0038614600000000 ] - [ 0.0009111900000000, 0.0005136900000000, 0.0046379500000000 ] - [ 0.0021166900000000, -0.0019476900000000, 0.0108319500000000 ] - [ 0.0033455300000000, 0.0050342100000000, 0.0084873700000000 ] - [ 0.0006712200000000, -0.0011103400000000, 0.0035129500000000 ] - [ 0.0037399000000000, -0.0047121800000000, -0.0021839300000000 ] - [ 0.0009883900000000, 0.0004562200000000, 0.0035637700000000 ] - [ 0.0006341900000000, -0.0010945100000000, 0.0033231200000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0026188300000000, 0.0002599800000000 ] - [ 0.0000000000000000, 0.0014142100000000, -0.0002103800000000 ] - [ 0.0000000000000000, 0.0012436100000000, -0.0001759700000000 ] - [ 0.0000000000000000, -0.0007652100000000, -0.0003246800000000 ] - [ 0.0000000000000000, 0.0006019600000000, -0.0001102600000000 ] - [ 0.0000000000000000, 0.0006133900000000, -0.0001527600000000 ] - [ 0.0000000000000000, -0.0006166200000000, 0.0006427100000000 ] - [ 0.0000000000000000, 0.0008256400000000, -0.0001344400000000 ] - [ 0.0000000000000000, -0.0004864200000000, -0.0008714500000000 ] - [ 0.0000000000000000, -0.0003698600000000, -0.0009971200000000 ] - [ 0.0000000000000000, 0.0008034400000000, -0.0001368100000000 ] - [ 0.0000000000000000, -0.0006535300000000, 0.0006353300000000 ] - [ 0.0008155200000000, -0.0210053800000000, -0.0152095600000000 ] - [ -0.0014588800000000, 0.0052516700000000, -0.0047577500000000 ] - [ -0.0003202300000000, 0.0051976200000000, -0.0098268100000000 ] - [ -0.0010607100000000, -0.0273968000000000, -0.0086919100000000 ] - [ -0.0011412400000000, 0.0051198200000000, -0.0097573300000000 ] - [ -0.0005189800000000, 0.0045127800000000, -0.0044602600000000 ] - [ 0.0264714600000000, 0.0171282500000000, -0.0029695400000000 ] - [ 0.0006238800000000, 0.0064900900000000, -0.0084819200000000 ] - [ -0.0142194900000000, 0.0176404500000000, -0.0153728300000000 ] - [ 0.0019432600000000, -0.0024528200000000, -0.0070458700000000 ] - [ 0.0006551700000000, 0.0050602500000000, -0.0080475000000000 ] - [ 0.0002583700000000, -0.0019802000000000, -0.0076455500000000 ] - [ -0.0264714600000000, 0.0171282500000000, -0.0029695400000000 ] - [ -0.0006238800000000, 0.0064900900000000, -0.0084819200000000 ] - [ 0.0142194900000000, 0.0176404500000000, -0.0153728300000000 ] - [ -0.0019432600000000, -0.0024528200000000, -0.0070458700000000 ] - [ -0.0006551700000000, 0.0050602500000000, -0.0080475000000000 ] - [ -0.0002583700000000, -0.0019802000000000, -0.0076455500000000 ] - [ -0.0008155200000000, -0.0210053800000000, -0.0152095600000000 ] - [ 0.0014588800000000, 0.0052516700000000, -0.0047577500000000 ] - [ 0.0003202300000000, 0.0051976200000000, -0.0098268100000000 ] - [ 0.0010607100000000, -0.0273968000000000, -0.0086919100000000 ] - [ 0.0011412400000000, 0.0051198200000000, -0.0097573300000000 ] - [ 0.0005189800000000, 0.0045127800000000, -0.0044602600000000 ] - [ 0.0000000000000000, -0.1229068500000000, 0.0104603100000000 ] - [ 0.0000000000000000, 0.0027088800000000, 0.0008179700000000 ] - [ 0.0000000000000000, 0.0026713100000000, 0.0040561700000000 ] - [ 0.0000000000000000, -0.0099112700000000, 0.0020548700000000 ] - [ 0.0000000000000000, -0.0031606100000000, 0.0025828300000000 ] - [ 0.0000000000000000, -0.0031579900000000, 0.0014168600000000 ] - [ 0.0000000000000000, 0.0115746200000000, 0.0286207500000000 ] - [ 0.0000000000000000, 0.0089511100000000, 0.0025403200000000 ] - [ 0.0000000000000000, 0.0097324000000000, -0.0088980000000000 ] - [ 0.0000000000000000, 0.0114842100000000, -0.0131032200000000 ] - [ 0.0000000000000000, 0.0089495300000000, 0.0026906100000000 ] - [ 0.0000000000000000, 0.0097289900000000, 0.0135823400000000 ] - [ 0.0001650800000000, 0.0111959700000000, 0.0079751900000000 ] - [ 0.0006522700000000, -0.0043255600000000, 0.0035041200000000 ] - [ -0.0002040800000000, -0.0060625300000000, 0.0015301700000000 ] - [ 0.0004587000000000, 0.0022483400000000, 0.0066805500000000 ] - [ 0.0000788600000000, -0.0036280000000000, 0.0027878400000000 ] - [ -0.0002687700000000, -0.0011010100000000, 0.0049845800000000 ] - [ 0.0022658500000000, -0.0008081100000000, 0.0017093000000000 ] - [ -0.0001579500000000, -0.0020074300000000, 0.0054323000000000 ] - [ -0.0004220100000000, 0.0030323800000000, 0.0051207200000000 ] - [ 0.0008181500000000, -0.0044981200000000, 0.0081758600000000 ] - [ -0.0010143300000000, -0.0028873000000000, 0.0047329200000000 ] - [ -0.0102939900000000, 0.0032007600000000, -0.0022401400000000 ] - [ -0.0060537800000000, -0.0002592400000000, -0.0003217800000000 ] - [ -0.0000492600000000, -0.0003508800000000, 0.0002062100000000 ] - [ 0.0042430100000000, 0.0008393400000000, 0.0006774500000000 ] - [ -0.0000887100000000, 0.0008562600000000, 0.0001644700000000 ] - [ -0.0000468200000000, -0.0000683100000000, 0.0001719400000000 ] - [ 0.0003128200000000, 0.0009490600000000, 0.0001662600000000 ] - [ -0.0022658500000000, -0.0008081100000000, 0.0017093000000000 ] - [ 0.0001579500000000, -0.0020074300000000, 0.0054323000000000 ] - [ 0.0004220100000000, 0.0030323800000000, 0.0051207200000000 ] - [ -0.0008181500000000, -0.0044981200000000, 0.0081758600000000 ] - [ 0.0010143300000000, -0.0028873000000000, 0.0047329200000000 ] - [ 0.0102939900000000, 0.0032007600000000, -0.0022401400000000 ] - [ 0.0056434200000000, 0.0051552800000000, 0.0145611700000000 ] - [ -0.0020973400000000, -0.0057996800000000, 0.0000143100000000 ] - [ 0.0003108800000000, -0.0036146400000000, 0.0031968400000000 ] - [ 0.0001944400000000, 0.0040688500000000, 0.0047640400000000 ] - [ -0.0002600500000000, -0.0008944000000000, 0.0045554400000000 ] - [ -0.0001562100000000, -0.0032310300000000, 0.0024979000000000 ] - [ 0.0000000000000000, 0.0525080000000000, -0.0087261900000000 ] - [ 0.0000000000000000, -0.0009449300000000, -0.0044428800000000 ] - [ 0.0000000000000000, -0.0087413800000000, -0.0005106900000000 ] - [ 0.0000000000000000, 0.0041550300000000, -0.0021856500000000 ] - [ 0.0000000000000000, 0.0005156800000000, -0.0042555800000000 ] - [ 0.0000000000000000, 0.0019274500000000, -0.0060623800000000 ] - [ -0.0005703200000000, 0.0014007600000000, 0.0005093200000000 ] - [ 0.0002115500000000, -0.0011208400000000, -0.0001549100000000 ] - [ -0.0007667200000000, -0.0012587800000000, 0.0003740200000000 ] - [ 0.0009075400000000, 0.0019156200000000, 0.0007581900000000 ] - [ -0.0000080100000000, -0.0011455500000000, 0.0004313200000000 ] - [ -0.0007104100000000, -0.0011744600000000, -0.0001614300000000 ] - [ 0.0054564700000000, 0.0096871900000000, -0.0040898000000000 ] - [ -0.0002961800000000, -0.0019936700000000, 0.0057741400000000 ] - [ -0.0009033500000000, -0.0034920600000000, 0.0085614800000000 ] - [ 0.0015819200000000, 0.0044098300000000, 0.0043847800000000 ] - [ -0.0004622400000000, -0.0017055700000000, 0.0057911700000000 ] - [ -0.0009083100000000, 0.0004773800000000, 0.0031868100000000 ] - [ 0.0000000000000000, 0.0046060400000000, -0.0044277900000000 ] - [ 0.0000000000000000, -0.0041421200000000, -0.0041125000000000 ] - [ 0.0000000000000000, -0.0048299000000000, -0.0025316600000000 ] - [ 0.0000000000000000, 0.0122876300000000, -0.0086469700000000 ] - [ 0.0000000000000000, -0.0041612800000000, -0.0027501200000000 ] - [ 0.0000000000000000, -0.0029874600000000, -0.0048853700000000 ] - [ -0.0054564700000000, 0.0096871900000000, -0.0040898000000000 ] - [ 0.0002961800000000, -0.0019936700000000, 0.0057741400000000 ] - [ 0.0009033500000000, -0.0034920600000000, 0.0085614800000000 ] - [ -0.0015819200000000, 0.0044098300000000, 0.0043847800000000 ] - [ 0.0004622400000000, -0.0017055700000000, 0.0057911700000000 ] - [ 0.0009083100000000, 0.0004773800000000, 0.0031868100000000 ] - [ 0.0060537800000000, -0.0002592400000000, -0.0003217800000000 ] - [ 0.0000492600000000, -0.0003508800000000, 0.0002062100000000 ] - [ -0.0042430100000000, 0.0008393400000000, 0.0006774500000000 ] - [ 0.0000887100000000, 0.0008562600000000, 0.0001644700000000 ] - [ 0.0000468200000000, -0.0000683100000000, 0.0001719400000000 ] - [ -0.0003128200000000, 0.0009490600000000, 0.0001662600000000 ] - [ 0.0005703200000000, 0.0014007600000000, 0.0005093200000000 ] - [ -0.0002115500000000, -0.0011208400000000, -0.0001549100000000 ] - [ 0.0007667200000000, -0.0012587800000000, 0.0003740200000000 ] - [ -0.0009075400000000, 0.0019156200000000, 0.0007581900000000 ] - [ 0.0000080100000000, -0.0011455500000000, 0.0004313200000000 ] - [ 0.0007104100000000, -0.0011744600000000, -0.0001614300000000 ] - [ -0.0001650800000000, 0.0111959700000000, 0.0079751900000000 ] - [ -0.0006522700000000, -0.0043255600000000, 0.0035041200000000 ] - [ 0.0002040800000000, -0.0060625300000000, 0.0015301700000000 ] - [ -0.0004587000000000, 0.0022483400000000, 0.0066805500000000 ] - [ -0.0000788600000000, -0.0036280000000000, 0.0027878400000000 ] - [ 0.0002687700000000, -0.0011010100000000, 0.0049845800000000 ] - [ -0.0056434200000000, 0.0051552800000000, 0.0145611700000000 ] - [ 0.0020973400000000, -0.0057996800000000, 0.0000143100000000 ] - [ -0.0003108800000000, -0.0036146400000000, 0.0031968400000000 ] - [ -0.0001944400000000, 0.0040688500000000, 0.0047640400000000 ] - [ 0.0002600500000000, -0.0008944000000000, 0.0045554400000000 ] - [ 0.0001562100000000, -0.0032310300000000, 0.0024979000000000 ]- atom: 37 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0029039100000000, -0.0005636700000000 ] - [ 0.0000000000000000, -0.0011362600000000, -0.0000857500000000 ] - [ 0.0000000000000000, -0.0009651100000000, -0.0001223100000000 ] - [ 0.0000000000000000, 0.0010505500000000, 0.0000291700000000 ] - [ 0.0000000000000000, -0.0003253600000000, -0.0001880700000000 ] - [ 0.0000000000000000, -0.0003355800000000, -0.0001440400000000 ] - [ 0.0000000000000000, 0.0003367600000000, -0.0009371500000000 ] - [ 0.0000000000000000, -0.0011098700000000, -0.0001602100000000 ] - [ 0.0000000000000000, 0.0002118000000000, 0.0005765600000000 ] - [ 0.0000000000000000, 0.0000842300000000, 0.0006978300000000 ] - [ 0.0000000000000000, -0.0010849200000000, -0.0001640800000000 ] - [ 0.0000000000000000, 0.0003820600000000, -0.0009338500000000 ] - [ -0.0024439800000000, 0.0203605200000000, -0.0001971900000000 ] - [ -0.0002117800000000, -0.0059116200000000, -0.0106392100000000 ] - [ -0.0013512300000000, -0.0058611900000000, -0.0055426100000000 ] - [ -0.0004278600000000, 0.0268877900000000, -0.0065793500000000 ] - [ -0.0005249700000000, -0.0057896800000000, -0.0056374600000000 ] - [ -0.0011547100000000, -0.0051673000000000, -0.0109459700000000 ] - [ -0.0245328700000000, -0.0164792200000000, -0.0124732700000000 ] - [ 0.0010467900000000, -0.0058675200000000, -0.0069013000000000 ] - [ 0.0160874700000000, -0.0170573800000000, 0.0000311200000000 ] - [ -0.0002740700000000, 0.0030677200000000, -0.0083027400000000 ] - [ 0.0010169300000000, -0.0044277200000000, -0.0073377000000000 ] - [ 0.0014095700000000, 0.0026639500000000, -0.0077346500000000 ] - [ 0.0245328700000000, -0.0164792200000000, -0.0124732700000000 ] - [ -0.0010467900000000, -0.0058675200000000, -0.0069013000000000 ] - [ -0.0160874700000000, -0.0170573800000000, 0.0000311200000000 ] - [ 0.0002740700000000, 0.0030677200000000, -0.0083027400000000 ] - [ -0.0010169300000000, -0.0044277200000000, -0.0073377000000000 ] - [ -0.0014095700000000, 0.0026639500000000, -0.0077346500000000 ] - [ 0.0024439800000000, 0.0203605200000000, -0.0001971900000000 ] - [ 0.0002117800000000, -0.0059116200000000, -0.0106392100000000 ] - [ 0.0013512300000000, -0.0058611900000000, -0.0055426100000000 ] - [ 0.0004278600000000, 0.0268877900000000, -0.0065793500000000 ] - [ 0.0005249700000000, -0.0057896800000000, -0.0056374600000000 ] - [ 0.0011547100000000, -0.0051673000000000, -0.0109459700000000 ] - [ 0.0000000000000000, 0.1084237900000000, -0.0066842400000000 ] - [ 0.0000000000000000, -0.0135438600000000, 0.0036273600000000 ] - [ 0.0000000000000000, -0.0135809500000000, 0.0003500000000000 ] - [ 0.0000000000000000, -0.0008937500000000, 0.0024282900000000 ] - [ 0.0000000000000000, -0.0076698600000000, 0.0018684900000000 ] - [ 0.0000000000000000, -0.0076668200000000, 0.0030317100000000 ] - [ 0.0000000000000000, -0.0006839700000000, -0.0239702800000000 ] - [ 0.0000000000000000, 0.0018583400000000, 0.0019026300000000 ] - [ 0.0000000000000000, 0.0010928900000000, 0.0134734300000000 ] - [ 0.0000000000000000, -0.0007745000000000, 0.0174286900000000 ] - [ 0.0000000000000000, 0.0018573700000000, 0.0017487300000000 ] - [ 0.0000000000000000, 0.0010890800000000, -0.0092410900000000 ] - [ -0.0005077100000000, -0.0130093300000000, 0.0008884300000000 ] - [ -0.0007131600000000, 0.0022726800000000, 0.0054630500000000 ] - [ 0.0001582400000000, 0.0040059400000000, 0.0074445500000000 ] - [ -0.0005256100000000, -0.0043139900000000, 0.0022701900000000 ] - [ -0.0001395500000000, 0.0015690500000000, 0.0061763800000000 ] - [ 0.0002152100000000, -0.0009732100000000, 0.0039666000000000 ] - [ -0.0025070700000000, 0.0018714600000000, 0.0062206900000000 ] - [ -0.0001024500000000, 0.0030800300000000, 0.0025080300000000 ] - [ 0.0001659700000000, -0.0019883500000000, 0.0028271100000000 ] - [ -0.0010670600000000, 0.0055657500000000, -0.0002188800000000 ] - [ 0.0007643400000000, 0.0039654700000000, 0.0032200800000000 ] - [ 0.0099512700000000, -0.0023270200000000, 0.0101590100000000 ] - [ 0.0062830900000000, 0.0013777900000000, 0.0006536100000000 ] - [ 0.0003008100000000, 0.0014586100000000, 0.0001110400000000 ] - [ -0.0040147700000000, 0.0002606600000000, -0.0003626200000000 ] - [ 0.0003435900000000, 0.0002509700000000, 0.0001468500000000 ] - [ 0.0003030900000000, 0.0011747400000000, 0.0001445200000000 ] - [ -0.0000680300000000, 0.0001504700000000, 0.0001485000000000 ] - [ 0.0025070700000000, 0.0018714600000000, 0.0062206900000000 ] - [ 0.0001024500000000, 0.0030800300000000, 0.0025080300000000 ] - [ -0.0001659700000000, -0.0019883500000000, 0.0028271100000000 ] - [ 0.0010670600000000, 0.0055657500000000, -0.0002188800000000 ] - [ -0.0007643400000000, 0.0039654700000000, 0.0032200800000000 ] - [ -0.0099512700000000, -0.0023270200000000, 0.0101590100000000 ] - [ -0.0053135200000000, -0.0063165500000000, -0.0065708200000000 ] - [ 0.0023605100000000, 0.0047569600000000, 0.0079524900000000 ] - [ -0.0000549000000000, 0.0025606600000000, 0.0047530400000000 ] - [ 0.0000692300000000, -0.0051775000000000, 0.0031618200000000 ] - [ 0.0005286700000000, -0.0001552100000000, 0.0033916400000000 ] - [ 0.0004175700000000, 0.0021771800000000, 0.0054572800000000 ] - [ 0.0000000000000000, -0.0448223700000000, 0.0016434100000000 ] - [ 0.0000000000000000, 0.0051988300000000, -0.0033785100000000 ] - [ 0.0000000000000000, 0.0131282800000000, -0.0073746800000000 ] - [ 0.0000000000000000, 0.0001027500000000, -0.0056440400000000 ] - [ 0.0000000000000000, 0.0037287200000000, -0.0035669700000000 ] - [ 0.0000000000000000, 0.0023084100000000, -0.0017491000000000 ] - [ 0.0003162100000000, -0.0025043000000000, -0.0001959100000000 ] - [ -0.0004680000000000, 0.0000179800000000, 0.0004726400000000 ] - [ 0.0005193900000000, 0.0001571000000000, -0.0000584900000000 ] - [ -0.0011963900000000, -0.0030373400000000, -0.0004387500000000 ] - [ -0.0002447700000000, 0.0000443000000000, -0.0001148100000000 ] - [ 0.0004617800000000, 0.0000710900000000, 0.0004796700000000 ] - [ -0.0054714200000000, -0.0076006800000000, 0.0130221800000000 ] - [ 0.0002378300000000, 0.0040716100000000, 0.0031808500000000 ] - [ 0.0008615000000000, 0.0055596400000000, 0.0003808400000000 ] - [ -0.0016647600000000, -0.0023207500000000, 0.0045413900000000 ] - [ 0.0004033200000000, 0.0037809900000000, 0.0031665500000000 ] - [ 0.0008542400000000, 0.0015796100000000, 0.0057820500000000 ] - [ 0.0000000000000000, -0.0088345400000000, -0.0033703400000000 ] - [ 0.0000000000000000, -0.0000919100000000, -0.0037143000000000 ] - [ 0.0000000000000000, 0.0006020300000000, -0.0053025200000000 ] - [ 0.0000000000000000, -0.0164599400000000, 0.0007446900000000 ] - [ 0.0000000000000000, -0.0000707500000000, -0.0050739600000000 ] - [ 0.0000000000000000, -0.0012591800000000, -0.0029228500000000 ] - [ 0.0054714200000000, -0.0076006800000000, 0.0130221800000000 ] - [ -0.0002378300000000, 0.0040716100000000, 0.0031808500000000 ] - [ -0.0008615000000000, 0.0055596400000000, 0.0003808400000000 ] - [ 0.0016647600000000, -0.0023207500000000, 0.0045413900000000 ] - [ -0.0004033200000000, 0.0037809900000000, 0.0031665500000000 ] - [ -0.0008542400000000, 0.0015796100000000, 0.0057820500000000 ] - [ -0.0062830900000000, 0.0013777900000000, 0.0006536100000000 ] - [ -0.0003008100000000, 0.0014586100000000, 0.0001110400000000 ] - [ 0.0040147700000000, 0.0002606600000000, -0.0003626200000000 ] - [ -0.0003435900000000, 0.0002509700000000, 0.0001468500000000 ] - [ -0.0003030900000000, 0.0011747400000000, 0.0001445200000000 ] - [ 0.0000680300000000, 0.0001504700000000, 0.0001485000000000 ] - [ -0.0003162100000000, -0.0025043000000000, -0.0001959100000000 ] - [ 0.0004680000000000, 0.0000179800000000, 0.0004726400000000 ] - [ -0.0005193900000000, 0.0001571000000000, -0.0000584900000000 ] - [ 0.0011963900000000, -0.0030373400000000, -0.0004387500000000 ] - [ 0.0002447700000000, 0.0000443000000000, -0.0001148100000000 ] - [ -0.0004617800000000, 0.0000710900000000, 0.0004796700000000 ] - [ 0.0005077100000000, -0.0130093300000000, 0.0008884300000000 ] - [ 0.0007131600000000, 0.0022726800000000, 0.0054630500000000 ] - [ -0.0001582400000000, 0.0040059400000000, 0.0074445500000000 ] - [ 0.0005256100000000, -0.0043139900000000, 0.0022701900000000 ] - [ 0.0001395500000000, 0.0015690500000000, 0.0061763800000000 ] - [ -0.0002152100000000, -0.0009732100000000, 0.0039666000000000 ] - [ 0.0053135200000000, -0.0063165500000000, -0.0065708200000000 ] - [ -0.0023605100000000, 0.0047569600000000, 0.0079524900000000 ] - [ 0.0000549000000000, 0.0025606600000000, 0.0047530400000000 ] - [ -0.0000692300000000, -0.0051775000000000, 0.0031618200000000 ] - [ -0.0005286700000000, -0.0001552100000000, 0.0033916400000000 ] - [ -0.0004175700000000, 0.0021771800000000, 0.0054572800000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0004733900000000, -0.0018978200000000 ] - [ 0.0000000000000000, 0.0001052900000000, -0.0003975200000000 ] - [ 0.0000000000000000, 0.0000569700000000, -0.0003900100000000 ] - [ 0.0000000000000000, 0.0002377400000000, 0.0013545200000000 ] - [ 0.0000000000000000, 0.0000005000000000, 0.0001122900000000 ] - [ 0.0000000000000000, 0.0001388800000000, 0.0000969200000000 ] - [ 0.0000000000000000, 0.0004967700000000, 0.0000040800000000 ] - [ 0.0000000000000000, -0.0002319000000000, -0.0001195000000000 ] - [ 0.0000000000000000, -0.0007781300000000, 0.0000347800000000 ] - [ 0.0000000000000000, -0.0008305500000000, -0.0002492200000000 ] - [ 0.0000000000000000, -0.0002342900000000, -0.0001806800000000 ] - [ 0.0000000000000000, 0.0007284800000000, -0.0001807400000000 ] - [ -0.0117735400000000, 0.0039457300000000, 0.0108216100000000 ] - [ -0.0009279900000000, 0.0006922500000000, -0.0065345000000000 ] - [ -0.0012528100000000, -0.0020406200000000, -0.0065923500000000 ] - [ 0.0308833000000000, 0.0034770900000000, 0.0068947700000000 ] - [ -0.0002569100000000, -0.0025806400000000, -0.0092151200000000 ] - [ -0.0005496100000000, 0.0005712300000000, -0.0085705500000000 ] - [ 0.0091606700000000, -0.0025374900000000, -0.0220525100000000 ] - [ 0.0010386700000000, -0.0003229400000000, -0.0085488100000000 ] - [ 0.0027352300000000, -0.0049539100000000, -0.0269336900000000 ] - [ 0.0000854900000000, 0.0007786700000000, 0.0004546900000000 ] - [ 0.0008830800000000, -0.0001077800000000, -0.0066588500000000 ] - [ 0.0008858600000000, 0.0012395400000000, -0.0020683100000000 ] - [ -0.0091606700000000, -0.0025374900000000, -0.0220525100000000 ] - [ -0.0010386700000000, -0.0003229400000000, -0.0085488100000000 ] - [ -0.0027352300000000, -0.0049539100000000, -0.0269336900000000 ] - [ -0.0000854900000000, 0.0007786700000000, 0.0004546900000000 ] - [ -0.0008830800000000, -0.0001077800000000, -0.0066588500000000 ] - [ -0.0008858600000000, 0.0012395400000000, -0.0020683100000000 ] - [ 0.0117735400000000, 0.0039457300000000, 0.0108216100000000 ] - [ 0.0009279900000000, 0.0006922500000000, -0.0065345000000000 ] - [ 0.0012528100000000, -0.0020406200000000, -0.0065923500000000 ] - [ -0.0308833000000000, 0.0034770900000000, 0.0068947700000000 ] - [ 0.0002569100000000, -0.0025806400000000, -0.0092151200000000 ] - [ 0.0005496100000000, 0.0005712300000000, -0.0085705500000000 ] - [ 0.0000000000000000, 0.0027452400000000, -0.1295292900000000 ] - [ 0.0000000000000000, -0.0035838800000000, 0.0002708600000000 ] - [ 0.0000000000000000, -0.0068138800000000, 0.0002673700000000 ] - [ 0.0000000000000000, -0.0056048700000000, 0.0168433000000000 ] - [ 0.0000000000000000, -0.0062137600000000, 0.0038043500000000 ] - [ 0.0000000000000000, -0.0050585700000000, 0.0038104200000000 ] - [ 0.0000000000000000, 0.0207755700000000, 0.0143875200000000 ] - [ 0.0000000000000000, 0.0049350000000000, 0.0023003000000000 ] - [ 0.0000000000000000, -0.0060484300000000, 0.0081400300000000 ] - [ 0.0000000000000000, -0.0207745600000000, 0.0143878700000000 ] - [ 0.0000000000000000, 0.0050880800000000, 0.0023062100000000 ] - [ 0.0000000000000000, 0.0165516300000000, 0.0081257500000000 ] - [ 0.0008444800000000, 0.0030525500000000, 0.0191564700000000 ] - [ 0.0001468100000000, -0.0002319700000000, 0.0053697800000000 ] - [ -0.0003296700000000, -0.0001792400000000, 0.0060286900000000 ] - [ 0.0002112400000000, -0.0047418300000000, -0.0014563900000000 ] - [ -0.0001672800000000, -0.0012356000000000, 0.0039284900000000 ] - [ 0.0001001800000000, -0.0015840900000000, 0.0034709600000000 ] - [ 0.0007384900000000, 0.0007491000000000, 0.0018862700000000 ] - [ -0.0000966500000000, 0.0011864900000000, 0.0032201100000000 ] - [ -0.0000766100000000, 0.0032156600000000, -0.0014239900000000 ] - [ -0.0005370900000000, 0.0005854000000000, 0.0065525800000000 ] - [ 0.0000153500000000, 0.0004986100000000, 0.0045570500000000 ] - [ -0.0034794000000000, -0.0065464300000000, 0.0151098000000000 ] - [ -0.0007228300000000, 0.0013359200000000, 0.0011403300000000 ] - [ 0.0001032600000000, 0.0006190500000000, 0.0002457300000000 ] - [ -0.0002738400000000, 0.0007048900000000, 0.0016460400000000 ] - [ 0.0004865500000000, 0.0005464000000000, -0.0007381300000000 ] - [ 0.0001051000000000, 0.0006133800000000, 0.0000518900000000 ] - [ 0.0001184500000000, 0.0004190300000000, -0.0005101200000000 ] - [ -0.0007384900000000, 0.0007491000000000, 0.0018862700000000 ] - [ 0.0000966500000000, 0.0011864900000000, 0.0032201100000000 ] - [ 0.0000766100000000, 0.0032156600000000, -0.0014239900000000 ] - [ 0.0005370900000000, 0.0005854000000000, 0.0065525800000000 ] - [ -0.0000153500000000, 0.0004986100000000, 0.0045570500000000 ] - [ 0.0034794000000000, -0.0065464300000000, 0.0151098000000000 ] - [ -0.0066929700000000, 0.0054234100000000, 0.0036654900000000 ] - [ -0.0017726000000000, -0.0018411000000000, 0.0050392000000000 ] - [ 0.0000407400000000, 0.0000308400000000, 0.0044315700000000 ] - [ 0.0006287100000000, -0.0044103700000000, -0.0018512100000000 ] - [ 0.0025203300000000, 0.0014382100000000, 0.0024489800000000 ] - [ 0.0001626500000000, -0.0005000500000000, 0.0036647300000000 ] - [ 0.0000000000000000, 0.0048494100000000, 0.0074390200000000 ] - [ 0.0000000000000000, 0.0020920100000000, -0.0038297400000000 ] - [ 0.0000000000000000, 0.0056784200000000, -0.0009124600000000 ] - [ 0.0000000000000000, 0.0001311700000000, -0.0092106800000000 ] - [ 0.0000000000000000, 0.0022209100000000, -0.0041161700000000 ] - [ 0.0000000000000000, 0.0012425400000000, -0.0064914300000000 ] - [ 0.0033117700000000, -0.0007227300000000, -0.0006055600000000 ] - [ -0.0001087600000000, -0.0007075400000000, 0.0000407000000000 ] - [ 0.0001010200000000, -0.0003038600000000, 0.0000633400000000 ] - [ -0.0059348900000000, -0.0009698100000000, 0.0000841300000000 ] - [ -0.0002161400000000, -0.0003395600000000, 0.0003267800000000 ] - [ -0.0001523800000000, -0.0006958100000000, 0.0002667300000000 ] - [ 0.0037992300000000, -0.0036175800000000, 0.0056566200000000 ] - [ 0.0000181600000000, 0.0008955700000000, 0.0046282200000000 ] - [ 0.0010291400000000, 0.0037253800000000, 0.0052661600000000 ] - [ -0.0040771500000000, 0.0049388500000000, -0.0007250000000000 ] - [ -0.0000019300000000, 0.0017700600000000, 0.0040460500000000 ] - [ -0.0009740000000000, -0.0000746500000000, 0.0037306400000000 ] - [ 0.0000000000000000, -0.0038564800000000, -0.0179852700000000 ] - [ 0.0000000000000000, -0.0021459300000000, -0.0044763200000000 ] - [ 0.0000000000000000, 0.0004629400000000, -0.0050670400000000 ] - [ 0.0000000000000000, -0.0038390300000000, 0.0482852900000000 ] - [ 0.0000000000000000, -0.0011628300000000, -0.0031640900000000 ] - [ 0.0000000000000000, -0.0042492600000000, -0.0025919400000000 ] - [ -0.0037992300000000, -0.0036175800000000, 0.0056566200000000 ] - [ -0.0000181600000000, 0.0008955700000000, 0.0046282200000000 ] - [ -0.0010291400000000, 0.0037253800000000, 0.0052661600000000 ] - [ 0.0040771500000000, 0.0049388500000000, -0.0007250000000000 ] - [ 0.0000019300000000, 0.0017700600000000, 0.0040460500000000 ] - [ 0.0009740000000000, -0.0000746500000000, 0.0037306400000000 ] - [ 0.0007228300000000, 0.0013359200000000, 0.0011403300000000 ] - [ -0.0001032600000000, 0.0006190500000000, 0.0002457300000000 ] - [ 0.0002738400000000, 0.0007048900000000, 0.0016460400000000 ] - [ -0.0004865500000000, 0.0005464000000000, -0.0007381300000000 ] - [ -0.0001051000000000, 0.0006133800000000, 0.0000518900000000 ] - [ -0.0001184500000000, 0.0004190300000000, -0.0005101200000000 ] - [ -0.0033117700000000, -0.0007227300000000, -0.0006055600000000 ] - [ 0.0001087600000000, -0.0007075400000000, 0.0000407000000000 ] - [ -0.0001010200000000, -0.0003038600000000, 0.0000633400000000 ] - [ 0.0059348900000000, -0.0009698100000000, 0.0000841300000000 ] - [ 0.0002161400000000, -0.0003395600000000, 0.0003267800000000 ] - [ 0.0001523800000000, -0.0006958100000000, 0.0002667300000000 ] - [ -0.0008444800000000, 0.0030525500000000, 0.0191564700000000 ] - [ -0.0001468100000000, -0.0002319700000000, 0.0053697800000000 ] - [ 0.0003296700000000, -0.0001792400000000, 0.0060286900000000 ] - [ -0.0002112400000000, -0.0047418300000000, -0.0014563900000000 ] - [ 0.0001672800000000, -0.0012356000000000, 0.0039284900000000 ] - [ -0.0001001800000000, -0.0015840900000000, 0.0034709600000000 ] - [ 0.0066929700000000, 0.0054234100000000, 0.0036654900000000 ] - [ 0.0017726000000000, -0.0018411000000000, 0.0050392000000000 ] - [ -0.0000407400000000, 0.0000308400000000, 0.0044315700000000 ] - [ -0.0006287100000000, -0.0044103700000000, -0.0018512100000000 ] - [ -0.0025203300000000, 0.0014382100000000, 0.0024489800000000 ] - [ -0.0001626500000000, -0.0005000500000000, 0.0036647300000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0001868900000000, 0.0015956200000000 ] - [ 0.0000000000000000, 0.0001683400000000, 0.0001022000000000 ] - [ 0.0000000000000000, 0.0002228000000000, 0.0000909200000000 ] - [ 0.0000000000000000, 0.0000454000000000, -0.0016523400000000 ] - [ 0.0000000000000000, 0.0002808800000000, -0.0004116700000000 ] - [ 0.0000000000000000, 0.0001363700000000, -0.0003937400000000 ] - [ 0.0000000000000000, -0.0007699800000000, -0.0003071100000000 ] - [ 0.0000000000000000, -0.0000518700000000, -0.0001763900000000 ] - [ 0.0000000000000000, 0.0004957900000000, -0.0003348100000000 ] - [ 0.0000000000000000, 0.0005531500000000, -0.0000396200000000 ] - [ 0.0000000000000000, -0.0000464500000000, -0.0001180400000000 ] - [ 0.0000000000000000, -0.0010099400000000, -0.0001112200000000 ] - [ 0.0099628200000000, -0.0045788800000000, -0.0261385700000000 ] - [ -0.0007437800000000, -0.0013524800000000, -0.0088845500000000 ] - [ -0.0004187800000000, 0.0013788300000000, -0.0088017400000000 ] - [ -0.0329311600000000, -0.0040853300000000, -0.0222650300000000 ] - [ -0.0014204600000000, 0.0019266500000000, -0.0061364000000000 ] - [ -0.0011247200000000, -0.0012301000000000, -0.0068051400000000 ] - [ -0.0076484200000000, 0.0030294200000000, 0.0065582600000000 ] - [ 0.0006297600000000, 0.0009568400000000, -0.0068382700000000 ] - [ -0.0011116400000000, 0.0056383800000000, 0.0114879300000000 ] - [ 0.0015889900000000, -0.0001027100000000, -0.0158436800000000 ] - [ 0.0007894700000000, 0.0007447900000000, -0.0087279200000000 ] - [ 0.0007853000000000, -0.0006122700000000, -0.0133129400000000 ] - [ 0.0076484200000000, 0.0030294200000000, 0.0065582600000000 ] - [ -0.0006297600000000, 0.0009568400000000, -0.0068382700000000 ] - [ 0.0011116400000000, 0.0056383800000000, 0.0114879300000000 ] - [ -0.0015889900000000, -0.0001027100000000, -0.0158436800000000 ] - [ -0.0007894700000000, 0.0007447900000000, -0.0087279200000000 ] - [ -0.0007853000000000, -0.0006122700000000, -0.0133129400000000 ] - [ -0.0099628200000000, -0.0045788800000000, -0.0261385700000000 ] - [ 0.0007437800000000, -0.0013524800000000, -0.0088845500000000 ] - [ 0.0004187800000000, 0.0013788300000000, -0.0088017400000000 ] - [ 0.0329311600000000, -0.0040853300000000, -0.0222650300000000 ] - [ 0.0014204600000000, 0.0019266500000000, -0.0061364000000000 ] - [ 0.0011247200000000, -0.0012301000000000, -0.0068051400000000 ] - [ 0.0000000000000000, -0.0144321300000000, 0.1386142600000000 ] - [ 0.0000000000000000, -0.0072893400000000, 0.0041890500000000 ] - [ 0.0000000000000000, -0.0040057300000000, 0.0041861600000000 ] - [ 0.0000000000000000, -0.0052317800000000, -0.0123025300000000 ] - [ 0.0000000000000000, -0.0045991000000000, 0.0006303800000000 ] - [ 0.0000000000000000, -0.0057729800000000, 0.0006361800000000 ] - [ 0.0000000000000000, -0.0097555300000000, -0.0100492600000000 ] - [ 0.0000000000000000, 0.0058771200000000, 0.0021337300000000 ] - [ 0.0000000000000000, 0.0167748300000000, -0.0036904000000000 ] - [ 0.0000000000000000, 0.0318159900000000, -0.0100499400000000 ] - [ 0.0000000000000000, 0.0057264800000000, 0.0021392700000000 ] - [ 0.0000000000000000, -0.0058193100000000, -0.0037045200000000 ] - [ -0.0010774100000000, -0.0050116700000000, -0.0103662800000000 ] - [ -0.0002130500000000, -0.0018244500000000, 0.0035871800000000 ] - [ 0.0002659800000000, -0.0018867200000000, 0.0029296000000000 ] - [ -0.0002553200000000, 0.0026602200000000, 0.0103973000000000 ] - [ 0.0001073200000000, -0.0008217600000000, 0.0050410200000000 ] - [ -0.0001605900000000, -0.0004679600000000, 0.0054937400000000 ] - [ -0.0010093100000000, 0.0003035900000000, 0.0060846600000000 ] - [ -0.0001635600000000, -0.0001147600000000, 0.0047265300000000 ] - [ -0.0001795200000000, -0.0021420000000000, 0.0093660600000000 ] - [ 0.0002818000000000, 0.0005057300000000, 0.0013577700000000 ] - [ -0.0002777300000000, 0.0005702500000000, 0.0033874600000000 ] - [ 0.0031141200000000, 0.0075241500000000, -0.0072868000000000 ] - [ 0.0010141400000000, -0.0002212500000000, -0.0008048000000000 ] - [ 0.0001450600000000, 0.0004872700000000, 0.0000727100000000 ] - [ 0.0005294500000000, 0.0004027100000000, -0.0013238600000000 ] - [ -0.0002446300000000, 0.0005522300000000, 0.0010545500000000 ] - [ 0.0001476100000000, 0.0004917500000000, 0.0002654600000000 ] - [ 0.0001210500000000, 0.0006857500000000, 0.0008264600000000 ] - [ 0.0010093100000000, 0.0003035900000000, 0.0060846600000000 ] - [ 0.0001635600000000, -0.0001147600000000, 0.0047265300000000 ] - [ 0.0001795200000000, -0.0021420000000000, 0.0093660600000000 ] - [ -0.0002818000000000, 0.0005057300000000, 0.0013577700000000 ] - [ 0.0002777300000000, 0.0005702500000000, 0.0033874600000000 ] - [ -0.0031141200000000, 0.0075241500000000, -0.0072868000000000 ] - [ 0.0070544700000000, -0.0065360300000000, 0.0044293600000000 ] - [ 0.0020473300000000, 0.0008187400000000, 0.0029567700000000 ] - [ 0.0002219200000000, -0.0010852800000000, 0.0035271800000000 ] - [ -0.0003967200000000, 0.0033475800000000, 0.0097822400000000 ] - [ -0.0022797900000000, -0.0025252000000000, 0.0054961500000000 ] - [ 0.0000975200000000, -0.0005567100000000, 0.0042855200000000 ] - [ 0.0000000000000000, -0.0003405800000000, -0.0151798400000000 ] - [ 0.0000000000000000, 0.0021672600000000, -0.0039901500000000 ] - [ 0.0000000000000000, -0.0014519800000000, -0.0068913200000000 ] - [ 0.0000000000000000, 0.0041161600000000, 0.0013812600000000 ] - [ 0.0000000000000000, 0.0020252300000000, -0.0037116900000000 ] - [ 0.0000000000000000, 0.0030110400000000, -0.0013332300000000 ] - [ -0.0035345400000000, -0.0003805400000000, 0.0009250500000000 ] - [ -0.0001453100000000, -0.0003952400000000, 0.0002809500000000 ] - [ -0.0003458700000000, -0.0007968500000000, 0.0002554000000000 ] - [ 0.0057241300000000, -0.0001404700000000, 0.0002132800000000 ] - [ -0.0000311800000000, -0.0007621800000000, -0.0000139100000000 ] - [ -0.0000948200000000, -0.0004054600000000, 0.0000487100000000 ] - [ -0.0038427200000000, 0.0056133700000000, 0.0033524500000000 ] - [ -0.0000796400000000, 0.0011756900000000, 0.0043309100000000 ] - [ -0.0010860900000000, -0.0016592000000000, 0.0037024300000000 ] - [ 0.0040335200000000, -0.0028770700000000, 0.0096784100000000 ] - [ -0.0000590700000000, 0.0002982600000000, 0.0049102900000000 ] - [ 0.0009164400000000, 0.0021495100000000, 0.0052205800000000 ] - [ 0.0000000000000000, -0.0004643600000000, 0.0099865700000000 ] - [ 0.0000000000000000, -0.0020961500000000, -0.0033445800000000 ] - [ 0.0000000000000000, -0.0046916800000000, -0.0027609600000000 ] - [ 0.0000000000000000, 0.0002819100000000, -0.0601779300000000 ] - [ 0.0000000000000000, -0.0030842500000000, -0.0046743800000000 ] - [ 0.0000000000000000, 0.0000229700000000, -0.0052449400000000 ] - [ 0.0038427200000000, 0.0056133700000000, 0.0033524500000000 ] - [ 0.0000796400000000, 0.0011756900000000, 0.0043309100000000 ] - [ 0.0010860900000000, -0.0016592000000000, 0.0037024300000000 ] - [ -0.0040335200000000, -0.0028770700000000, 0.0096784100000000 ] - [ 0.0000590700000000, 0.0002982600000000, 0.0049102900000000 ] - [ -0.0009164400000000, 0.0021495100000000, 0.0052205800000000 ] - [ -0.0010141400000000, -0.0002212500000000, -0.0008048000000000 ] - [ -0.0001450600000000, 0.0004872700000000, 0.0000727100000000 ] - [ -0.0005294500000000, 0.0004027100000000, -0.0013238600000000 ] - [ 0.0002446300000000, 0.0005522300000000, 0.0010545500000000 ] - [ -0.0001476100000000, 0.0004917500000000, 0.0002654600000000 ] - [ -0.0001210500000000, 0.0006857500000000, 0.0008264600000000 ] - [ 0.0035345400000000, -0.0003805400000000, 0.0009250500000000 ] - [ 0.0001453100000000, -0.0003952400000000, 0.0002809500000000 ] - [ 0.0003458700000000, -0.0007968500000000, 0.0002554000000000 ] - [ -0.0057241300000000, -0.0001404700000000, 0.0002132800000000 ] - [ 0.0000311800000000, -0.0007621800000000, -0.0000139100000000 ] - [ 0.0000948200000000, -0.0004054600000000, 0.0000487100000000 ] - [ 0.0010774100000000, -0.0050116700000000, -0.0103662800000000 ] - [ 0.0002130500000000, -0.0018244500000000, 0.0035871800000000 ] - [ -0.0002659800000000, -0.0018867200000000, 0.0029296000000000 ] - [ 0.0002553200000000, 0.0026602200000000, 0.0103973000000000 ] - [ -0.0001073200000000, -0.0008217600000000, 0.0050410200000000 ] - [ 0.0001605900000000, -0.0004679600000000, 0.0054937400000000 ] - [ -0.0070544700000000, -0.0065360300000000, 0.0044293600000000 ] - [ -0.0020473300000000, 0.0008187400000000, 0.0029567700000000 ] - [ -0.0002219200000000, -0.0010852800000000, 0.0035271800000000 ] - [ 0.0003967200000000, 0.0033475800000000, 0.0097822400000000 ] - [ 0.0022797900000000, -0.0025252000000000, 0.0054961500000000 ] - [ -0.0000975200000000, -0.0005567100000000, 0.0042855200000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0030236000000000, -0.0011042700000000, 0.0007226300000000 ] - [ -0.0006322100000000, 0.0005876200000000, -0.0001674500000000 ] - [ -0.0001585500000000, 0.0002287500000000, -0.0001332300000000 ] - [ -0.0005686800000000, 0.0000551300000000, -0.0004147300000000 ] - [ -0.0002043700000000, 0.0002008700000000, -0.0001421800000000 ] - [ -0.0001298900000000, 0.0001547000000000, -0.0001707300000000 ] - [ -0.0007276500000000, -0.0001956700000000, 0.0003122500000000 ] - [ -0.0001438000000000, 0.0000069300000000, -0.0001225400000000 ] - [ -0.0003283200000000, -0.0002069400000000, -0.0001767200000000 ] - [ -0.0015079700000000, 0.0003677500000000, -0.0008907800000000 ] - [ -0.0001058600000000, -0.0000275000000000, -0.0001751800000000 ] - [ -0.0006195300000000, -0.0005015300000000, -0.0001265900000000 ] - [ 0.0010655400000000, -0.0026340500000000, -0.0071641700000000 ] - [ -0.0014411000000000, 0.0018045100000000, -0.0045767500000000 ] - [ -0.0006640600000000, -0.0001082900000000, -0.0080772600000000 ] - [ 0.0213105000000000, -0.0044897500000000, -0.0135650800000000 ] - [ -0.0004821000000000, 0.0013937400000000, -0.0087791500000000 ] - [ -0.0006377400000000, -0.0003471500000000, -0.0074945500000000 ] - [ -0.0034624300000000, -0.0039915100000000, -0.0087208900000000 ] - [ 0.0007166500000000, 0.0007386400000000, -0.0076165100000000 ] - [ -0.0008089000000000, 0.0053785600000000, -0.0081463900000000 ] - [ 0.0003964000000000, -0.0009217500000000, -0.0069402600000000 ] - [ 0.0007880900000000, 0.0005264100000000, -0.0076932600000000 ] - [ 0.0006243800000000, 0.0018043200000000, -0.0075439400000000 ] - [ 0.0270408000000000, 0.0041888800000000, -0.0045381100000000 ] - [ -0.0006132600000000, 0.0012925800000000, -0.0081283900000000 ] - [ 0.0008536900000000, -0.0004628600000000, -0.0072857800000000 ] - [ -0.0000297400000000, 0.0012281600000000, -0.0093795700000000 ] - [ -0.0007407800000000, 0.0009998700000000, -0.0076440400000000 ] - [ -0.0011392800000000, -0.0022143900000000, -0.0092170500000000 ] - [ -0.0005082300000000, -0.0020495100000000, -0.0114471100000000 ] - [ 0.0005614000000000, -0.0014020500000000, -0.0084295200000000 ] - [ 0.0008096300000000, 0.0008084200000000, -0.0080498600000000 ] - [ -0.0044817400000000, 0.0000783000000000, -0.0045323100000000 ] - [ 0.0004012800000000, -0.0015406300000000, -0.0075820200000000 ] - [ 0.0007991000000000, 0.0005236200000000, -0.0069562700000000 ] - [ 0.0063005800000000, -0.0053082200000000, 0.0033543800000000 ] - [ 0.0019918100000000, -0.0055851000000000, 0.0019245500000000 ] - [ 0.0007715300000000, -0.0047207800000000, 0.0024039700000000 ] - [ 0.0022280900000000, -0.0049151500000000, 0.0024575400000000 ] - [ 0.0008877300000000, -0.0056497300000000, 0.0023528100000000 ] - [ 0.0006415200000000, -0.0052963800000000, 0.0020832900000000 ] - [ 0.0037531800000000, 0.0037754700000000, -0.0018451500000000 ] - [ 0.0006920500000000, 0.0058451200000000, 0.0022511100000000 ] - [ 0.0016272900000000, 0.0062959500000000, 0.0012695300000000 ] - [ 0.0016430200000000, -0.0000789600000000, 0.0060471000000000 ] - [ 0.0004870200000000, 0.0056795200000000, 0.0022712800000000 ] - [ 0.0021256700000000, 0.0062934800000000, 0.0032831100000000 ] - [ -0.0637232600000000, 0.0119027100000000, 0.0026860700000000 ] - [ -0.0003050400000000, -0.0014802700000000, 0.0043831100000000 ] - [ -0.0003059100000000, -0.0009869800000000, 0.0043861200000000 ] - [ -0.0006895600000000, -0.0006333300000000, 0.0047406800000000 ] - [ -0.0004401000000000, -0.0015552800000000, 0.0036561000000000 ] - [ -0.0004397700000000, -0.0003078000000000, 0.0048907200000000 ] - [ -0.0012282000000000, 0.0010397100000000, 0.0039089900000000 ] - [ -0.0002901900000000, 0.0003111500000000, 0.0041431500000000 ] - [ -0.0007989200000000, 0.0007126300000000, 0.0044852500000000 ] - [ -0.0041762700000000, -0.0002306600000000, 0.0071790400000000 ] - [ -0.0004278300000000, 0.0002403000000000, 0.0041045700000000 ] - [ -0.0042560400000000, 0.0007121600000000, 0.0024601400000000 ] - [ 0.0029417700000000, 0.0008497200000000, 0.0003172800000000 ] - [ 0.0003241000000000, 0.0004205300000000, 0.0001389500000000 ] - [ 0.0014654000000000, 0.0007579100000000, 0.0001356800000000 ] - [ 0.0008900500000000, 0.0006490400000000, 0.0001164800000000 ] - [ 0.0002546700000000, 0.0005103300000000, 0.0001512600000000 ] - [ 0.0005500400000000, 0.0005112200000000, 0.0001486700000000 ] - [ 0.0000936900000000, 0.0010523300000000, 0.0039501500000000 ] - [ -0.0000578600000000, 0.0001990400000000, 0.0041688900000000 ] - [ -0.0001607200000000, -0.0000116000000000, 0.0047680500000000 ] - [ -0.0000633400000000, 0.0019469800000000, 0.0030062100000000 ] - [ 0.0000786400000000, 0.0001297000000000, 0.0040162600000000 ] - [ 0.0029401700000000, -0.0025679200000000, 0.0025177400000000 ] - [ 0.0050174800000000, -0.0037545400000000, 0.0088515900000000 ] - [ 0.0003837900000000, 0.0013733500000000, 0.0052034400000000 ] - [ -0.0000134600000000, -0.0009262500000000, 0.0038171100000000 ] - [ 0.0002132800000000, -0.0019256800000000, 0.0023365500000000 ] - [ 0.0002119200000000, 0.0001195000000000, 0.0039260800000000 ] - [ -0.0000578600000000, -0.0007952300000000, 0.0037609300000000 ] - [ 0.0085836900000000, 0.0103433200000000, 0.0063806900000000 ] - [ -0.0002139400000000, 0.0019559700000000, -0.0039151600000000 ] - [ -0.0006930300000000, 0.0011271900000000, -0.0038086600000000 ] - [ -0.0009913600000000, 0.0020558400000000, -0.0041717400000000 ] - [ -0.0002303100000000, 0.0020349900000000, -0.0039626300000000 ] - [ -0.0006285700000000, 0.0023024500000000, -0.0039201300000000 ] - [ -0.0004734100000000, -0.0003337200000000, -0.0002057800000000 ] - [ 0.0003669400000000, -0.0006607400000000, 0.0000165200000000 ] - [ -0.0001013800000000, -0.0005952200000000, 0.0002000300000000 ] - [ 0.0004946400000000, 0.0044717100000000, 0.0084336400000000 ] - [ -0.0003104400000000, -0.0009206700000000, 0.0003720800000000 ] - [ -0.0001106000000000, -0.0005535400000000, 0.0001519200000000 ] - [ -0.0038394700000000, 0.0025827100000000, 0.0005223400000000 ] - [ -0.0002462200000000, -0.0000262800000000, 0.0048041800000000 ] - [ -0.0004620200000000, 0.0007800400000000, 0.0044118000000000 ] - [ -0.0038375600000000, -0.0014849000000000, 0.0074079400000000 ] - [ -0.0002470800000000, 0.0005557300000000, 0.0046931300000000 ] - [ -0.0004614600000000, 0.0014929600000000, 0.0040071700000000 ] - [ -0.0009196800000000, -0.0020849500000000, -0.0032329200000000 ] - [ -0.0006565200000000, -0.0023040200000000, -0.0041805600000000 ] - [ -0.0002888500000000, -0.0024972900000000, -0.0037040800000000 ] - [ 0.0122410800000000, -0.0058133600000000, -0.0145310400000000 ] - [ -0.0004101000000000, -0.0021978700000000, -0.0037018000000000 ] - [ -0.0002550100000000, -0.0022093900000000, -0.0040409400000000 ] - [ 0.0003626500000000, 0.0013175000000000, 0.0054383700000000 ] - [ -0.0001300500000000, 0.0012581500000000, 0.0044586500000000 ] - [ -0.0002819400000000, -0.0005004800000000, 0.0055144800000000 ] - [ 0.0003619600000000, 0.0028150600000000, 0.0030832200000000 ] - [ -0.0001299300000000, 0.0012367700000000, 0.0044639200000000 ] - [ -0.0002819500000000, 0.0007696600000000, 0.0046188600000000 ] - [ 0.0018224500000000, -0.0106911200000000, -0.0065124100000000 ] - [ -0.0000692300000000, 0.0004090000000000, 0.0002035500000000 ] - [ -0.0006935500000000, 0.0011899800000000, 0.0000322500000000 ] - [ -0.0002119300000000, 0.0004861300000000, 0.0003401800000000 ] - [ -0.0000374100000000, 0.0004704400000000, 0.0001553300000000 ] - [ 0.0001705700000000, 0.0006906300000000, 0.0002676000000000 ] - [ 0.0014830500000000, -0.0003648700000000, 0.0002081000000000 ] - [ 0.0006103300000000, -0.0005491000000000, 0.0001504100000000 ] - [ 0.0003830900000000, -0.0006647800000000, 0.0001738300000000 ] - [ 0.0031362000000000, -0.0006690000000000, 0.0001125600000000 ] - [ 0.0006524200000000, -0.0006298800000000, 0.0001779000000000 ] - [ 0.0003752500000000, -0.0006005900000000, 0.0000853300000000 ] - [ 0.0044591400000000, 0.0029451500000000, 0.0027585100000000 ] - [ -0.0003119700000000, -0.0010310100000000, 0.0046786400000000 ] - [ -0.0003114100000000, -0.0025940300000000, 0.0038294600000000 ] - [ -0.0002918500000000, -0.0006706500000000, 0.0052699600000000 ] - [ -0.0002208500000000, -0.0009600900000000, 0.0046680500000000 ] - [ -0.0002206000000000, -0.0015360800000000, 0.0044427600000000 ] - [ -0.0022629800000000, -0.0001635000000000, 0.0049162300000000 ] - [ -0.0032005300000000, -0.0078469400000000, -0.0032253000000000 ] - [ -0.0003670700000000, -0.0008759100000000, 0.0039750300000000 ] - [ -0.0031012900000000, 0.0052949000000000, 0.0103659600000000 ] - [ -0.0010007200000000, -0.0006330700000000, 0.0041935400000000 ] - [ -0.0002890600000000, -0.0006911500000000, 0.0039137500000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0030197000000000, 0.0013839000000000, -0.0010258500000000 ] - [ 0.0006262400000000, -0.0003065600000000, -0.0001302000000000 ] - [ 0.0001551300000000, 0.0000549100000000, -0.0001657200000000 ] - [ 0.0005635400000000, 0.0002249500000000, 0.0001145300000000 ] - [ 0.0002025100000000, 0.0000792400000000, -0.0001573400000000 ] - [ 0.0001283600000000, 0.0001253700000000, -0.0001281100000000 ] - [ 0.0007207400000000, -0.0000880500000000, -0.0006093100000000 ] - [ 0.0001414700000000, -0.0002863300000000, -0.0001740500000000 ] - [ 0.0003229500000000, -0.0000708900000000, -0.0001236400000000 ] - [ 0.0015059800000000, -0.0006542700000000, 0.0005942900000000 ] - [ 0.0001041100000000, -0.0002501000000000, -0.0001255400000000 ] - [ 0.0006138800000000, 0.0002238700000000, -0.0001681200000000 ] - [ -0.0027373800000000, 0.0019396500000000, -0.0082132200000000 ] - [ -0.0002538600000000, -0.0024195600000000, -0.0107665300000000 ] - [ -0.0010111400000000, -0.0005342300000000, -0.0073130400000000 ] - [ -0.0229090700000000, 0.0039118900000000, -0.0016001300000000 ] - [ -0.0012112800000000, -0.0020007000000000, -0.0066392100000000 ] - [ -0.0010396200000000, -0.0003004100000000, -0.0078950500000000 ] - [ 0.0051222700000000, 0.0045896100000000, -0.0066734900000000 ] - [ 0.0009616400000000, -0.0000813800000000, -0.0077705200000000 ] - [ 0.0024753800000000, -0.0046597800000000, -0.0072445600000000 ] - [ 0.0012793600000000, 0.0015514000000000, -0.0084422800000000 ] - [ 0.0008877000000000, 0.0001265200000000, -0.0076951700000000 ] - [ 0.0010500200000000, -0.0011382500000000, -0.0078450400000000 ] - [ -0.0285633100000000, -0.0038788700000000, -0.0110272400000000 ] - [ -0.0010628200000000, -0.0006246800000000, -0.0072613600000000 ] - [ -0.0025426600000000, 0.0010902900000000, -0.0080689600000000 ] - [ -0.0016427700000000, -0.0005729200000000, -0.0060306400000000 ] - [ -0.0009387100000000, -0.0003403400000000, -0.0077474100000000 ] - [ -0.0005450300000000, 0.0028407200000000, -0.0061875900000000 ] - [ 0.0021776000000000, 0.0013715100000000, -0.0039958000000000 ] - [ 0.0011187300000000, 0.0007416900000000, -0.0069668800000000 ] - [ 0.0008663500000000, -0.0014379800000000, -0.0073430900000000 ] - [ 0.0061246100000000, -0.0007366800000000, -0.0108147700000000 ] - [ 0.0012739800000000, 0.0008794100000000, -0.0078065500000000 ] - [ 0.0008795100000000, -0.0011584900000000, -0.0084205800000000 ] - [ -0.0053407800000000, -0.0059719900000000, 0.0014253300000000 ] - [ -0.0019594000000000, -0.0052238000000000, 0.0025171300000000 ] - [ -0.0007588900000000, -0.0060857200000000, 0.0020426300000000 ] - [ -0.0022022200000000, -0.0058983500000000, 0.0019888300000000 ] - [ -0.0008752100000000, -0.0051684600000000, 0.0020910500000000 ] - [ -0.0006342700000000, -0.0055168000000000, 0.0023572500000000 ] - [ -0.0037068400000000, 0.0070231700000000, 0.0062635300000000 ] - [ -0.0006833600000000, 0.0049799400000000, 0.0021927000000000 ] - [ -0.0016055000000000, 0.0045344800000000, 0.0031597700000000 ] - [ -0.0015960900000000, 0.0108502500000000, -0.0015950900000000 ] - [ -0.0004790300000000, 0.0051442900000000, 0.0021721600000000 ] - [ -0.0020951100000000, 0.0045301300000000, 0.0011658800000000 ] - [ 0.0622635200000000, -0.0132520400000000, 0.0059211200000000 ] - [ 0.0002414200000000, -0.0006012000000000, 0.0045734900000000 ] - [ 0.0002403800000000, -0.0010708100000000, 0.0045727300000000 ] - [ 0.0006182600000000, -0.0014233200000000, 0.0042186000000000 ] - [ 0.0003736300000000, -0.0005178500000000, 0.0052933900000000 ] - [ 0.0003748100000000, -0.0017522400000000, 0.0040711200000000 ] - [ 0.0009486400000000, 0.0000252300000000, 0.0040474200000000 ] - [ 0.0000221500000000, 0.0007489900000000, 0.0038112400000000 ] - [ 0.0005233300000000, 0.0003565100000000, 0.0034687500000000 ] - [ 0.0038725600000000, 0.0012037500000000, 0.0008400300000000 ] - [ 0.0001571800000000, 0.0008165500000000, 0.0038529000000000 ] - [ 0.0039577800000000, 0.0004584400000000, 0.0054860600000000 ] - [ -0.0026937300000000, 0.0002574100000000, 0.0000034000000000 ] - [ -0.0000844400000000, 0.0006792500000000, 0.0001790200000000 ] - [ -0.0012119600000000, 0.0003404400000000, 0.0001810700000000 ] - [ -0.0006480100000000, 0.0004529800000000, 0.0001989600000000 ] - [ -0.0000157700000000, 0.0005896400000000, 0.0001653400000000 ] - [ -0.0003133800000000, 0.0005877600000000, 0.0001675800000000 ] - [ 0.0001697300000000, 0.0000151500000000, 0.0040025300000000 ] - [ 0.0003215100000000, 0.0008580800000000, 0.0037872800000000 ] - [ 0.0004221600000000, 0.0010656900000000, 0.0031990200000000 ] - [ 0.0003233900000000, -0.0008693300000000, 0.0049391300000000 ] - [ 0.0001861000000000, 0.0009267200000000, 0.0039378300000000 ] - [ -0.0026356100000000, 0.0035905900000000, 0.0054045800000000 ] - [ -0.0046745800000000, 0.0026417800000000, -0.0008158300000000 ] - [ -0.0001157400000000, -0.0024154500000000, 0.0027591300000000 ] - [ 0.0002769700000000, -0.0001430000000000, 0.0041353200000000 ] - [ 0.0000534900000000, 0.0008474400000000, 0.0055994800000000 ] - [ 0.0000529400000000, -0.0011738300000000, 0.0040309800000000 ] - [ 0.0003207100000000, -0.0002724600000000, 0.0041888400000000 ] - [ -0.0084664700000000, -0.0059596000000000, -0.0140453100000000 ] - [ 0.0002100700000000, 0.0022844400000000, -0.0039139400000000 ] - [ 0.0006810500000000, 0.0031036100000000, -0.0040190100000000 ] - [ 0.0009810300000000, 0.0021941800000000, -0.0036572200000000 ] - [ 0.0002298400000000, 0.0022087200000000, -0.0038666000000000 ] - [ 0.0006220200000000, 0.0019458900000000, -0.0039086400000000 ] - [ 0.0002476700000000, -0.0007627200000000, 0.0005267300000000 ] - [ -0.0005951600000000, -0.0004413100000000, 0.0002992000000000 ] - [ -0.0001372500000000, -0.0005061800000000, 0.0001182800000000 ] - [ -0.0007337700000000, -0.0056407100000000, -0.0082166400000000 ] - [ 0.0000705000000000, -0.0001821700000000, -0.0000548800000000 ] - [ -0.0001285900000000, -0.0005478800000000, 0.0001644200000000 ] - [ 0.0037648000000000, -0.0004955000000000, 0.0083498500000000 ] - [ 0.0001816500000000, 0.0020789900000000, 0.0041583000000000 ] - [ 0.0003939500000000, 0.0012825600000000, 0.0045463100000000 ] - [ 0.0037660900000000, 0.0035172800000000, 0.0016243400000000 ] - [ 0.0001803500000000, 0.0015015700000000, 0.0042713100000000 ] - [ 0.0003941300000000, 0.0005750300000000, 0.0049484800000000 ] - [ 0.0009034500000000, -0.0021572200000000, -0.0045896700000000 ] - [ 0.0006464500000000, -0.0019454000000000, -0.0036523400000000 ] - [ 0.0002855200000000, -0.0017550700000000, -0.0041213100000000 ] - [ -0.0120623000000000, 0.0014838400000000, 0.0064799900000000 ] - [ 0.0004086900000000, -0.0020533800000000, -0.0041221000000000 ] - [ 0.0002508500000000, -0.0020375500000000, -0.0037895700000000 ] - [ -0.0003023500000000, 0.0007599600000000, 0.0035239700000000 ] - [ 0.0001895000000000, 0.0008101100000000, 0.0045008600000000 ] - [ 0.0003389600000000, 0.0025414300000000, 0.0034627300000000 ] - [ -0.0003024900000000, -0.0007290500000000, 0.0058624400000000 ] - [ 0.0001892400000000, 0.0008269500000000, 0.0044967600000000 ] - [ 0.0003390900000000, 0.0012930900000000, 0.0043409800000000 ] - [ -0.0020555700000000, 0.0119273100000000, 0.0069211000000000 ] - [ -0.0001635600000000, 0.0006904500000000, 0.0001141900000000 ] - [ 0.0004607300000000, -0.0000921200000000, 0.0002848500000000 ] - [ -0.0000216500000000, 0.0006146100000000, -0.0000232600000000 ] - [ -0.0002047400000000, 0.0006291300000000, 0.0001615900000000 ] - [ -0.0004009300000000, 0.0004108200000000, 0.0000499400000000 ] - [ -0.0012347000000000, -0.0007326500000000, 0.0001131900000000 ] - [ -0.0003664600000000, -0.0005506400000000, 0.0001670100000000 ] - [ -0.0001443600000000, -0.0004370500000000, 0.0001436700000000 ] - [ -0.0028838600000000, -0.0004320100000000, 0.0001989800000000 ] - [ -0.0004153700000000, -0.0004693100000000, 0.0001386000000000 ] - [ -0.0001339700000000, -0.0005012600000000, 0.0002301800000000 ] - [ -0.0043562600000000, -0.0049528800000000, 0.0061758400000000 ] - [ 0.0003666200000000, -0.0010379900000000, 0.0042814400000000 ] - [ 0.0003675400000000, 0.0005044200000000, 0.0051188300000000 ] - [ 0.0003481700000000, -0.0013848800000000, 0.0037038600000000 ] - [ 0.0002790200000000, -0.0011035200000000, 0.0042945800000000 ] - [ 0.0002783300000000, -0.0005345900000000, 0.0045158700000000 ] - [ 0.0019774300000000, -0.0008936600000000, 0.0030438900000000 ] - [ 0.0028732100000000, 0.0066874900000000, 0.0110827100000000 ] - [ 0.0000976300000000, -0.0001943800000000, 0.0039775100000000 ] - [ 0.0027842700000000, -0.0062970300000000, -0.0023526300000000 ] - [ 0.0007264600000000, -0.0004326000000000, 0.0037674500000000 ] - [ 0.0000206600000000, -0.0003740000000000, 0.0040394100000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008561300000000, 0.0023967200000000, 0.0012017700000000 ] - [ 0.0015183900000000, -0.0013967400000000, 0.0000337600000000 ] - [ -0.0001425000000000, -0.0007534200000000, -0.0000064800000000 ] - [ -0.0004666300000000, 0.0008986900000000, -0.0011316000000000 ] - [ 0.0003328300000000, 0.0001408000000000, -0.0002689400000000 ] - [ -0.0000612400000000, -0.0005497800000000, -0.0002644800000000 ] - [ 0.0012667200000000, 0.0007206200000000, -0.0016239400000000 ] - [ 0.0002204500000000, -0.0009771000000000, -0.0003029100000000 ] - [ -0.0001268700000000, -0.0000905100000000, -0.0000053200000000 ] - [ 0.0009190600000000, 0.0014404500000000, 0.0013998400000000 ] - [ 0.0001745300000000, -0.0009801300000000, -0.0000114700000000 ] - [ -0.0008782300000000, -0.0011267400000000, -0.0003023800000000 ] - [ -0.0017065600000000, 0.0137151700000000, -0.0090481400000000 ] - [ 0.0014300500000000, -0.0082450600000000, -0.0187818200000000 ] - [ -0.0006535100000000, -0.0053282700000000, -0.0080063000000000 ] - [ 0.0105847000000000, 0.0099524400000000, -0.0074237600000000 ] - [ 0.0006817300000000, -0.0116329200000000, 0.0027391000000000 ] - [ -0.0005549800000000, -0.0068469400000000, -0.0094611000000000 ] - [ -0.0010334300000000, 0.0062115400000000, -0.0051769500000000 ] - [ 0.0007316100000000, -0.0031491000000000, -0.0075960800000000 ] - [ 0.0018494100000000, -0.0027275300000000, -0.0068183500000000 ] - [ 0.0010760200000000, 0.0036486300000000, -0.0091102100000000 ] - [ 0.0008076000000000, -0.0023273100000000, -0.0076899000000000 ] - [ 0.0012080600000000, -0.0001948400000000, -0.0090041900000000 ] - [ -0.0220118900000000, 0.0777913200000000, 0.0264487300000000 ] - [ -0.0013220400000000, -0.0067873500000000, -0.0068948700000000 ] - [ -0.0037016500000000, -0.0106210300000000, 0.0051321100000000 ] - [ -0.0001532800000000, 0.0082294200000000, -0.0131470400000000 ] - [ -0.0011659800000000, -0.0047520200000000, -0.0072167100000000 ] - [ -0.0019641600000000, -0.0052506000000000, -0.0136274700000000 ] - [ 0.0010069400000000, 0.0046909900000000, -0.0060497800000000 ] - [ 0.0007854300000000, -0.0008275000000000, -0.0085494500000000 ] - [ 0.0009318500000000, -0.0033305800000000, -0.0078569200000000 ] - [ 0.0035238200000000, 0.0021467300000000, -0.0093671400000000 ] - [ 0.0006506200000000, 0.0002259000000000, -0.0065782500000000 ] - [ 0.0010616800000000, -0.0040415300000000, -0.0077579700000000 ] - [ 0.0103381000000000, 0.0065667400000000, 0.0063359500000000 ] - [ -0.0065434000000000, -0.0104532000000000, 0.0030755300000000 ] - [ 0.0009677300000000, -0.0087135200000000, 0.0030186800000000 ] - [ 0.0012435600000000, -0.0021254700000000, -0.0014894800000000 ] - [ -0.0015512800000000, -0.0054620400000000, 0.0016624600000000 ] - [ 0.0003142500000000, -0.0080111700000000, 0.0020154700000000 ] - [ -0.0054891200000000, 0.0087967500000000, -0.0016692100000000 ] - [ -0.0011133800000000, 0.0026575500000000, 0.0014835100000000 ] - [ 0.0006818200000000, 0.0048450100000000, 0.0033357900000000 ] - [ -0.0034017200000000, 0.0141237600000000, 0.0068197900000000 ] - [ -0.0009178700000000, 0.0023663400000000, 0.0023639800000000 ] - [ 0.0045470200000000, 0.0008667200000000, -0.0004633000000000 ] - [ 0.0127742200000000, -0.1656037100000000, -0.0847820100000000 ] - [ 0.0000110000000000, 0.0045336000000000, 0.0060908500000000 ] - [ -0.0004702200000000, 0.0044968400000000, 0.0061575100000000 ] - [ 0.0003656800000000, -0.0029864300000000, 0.0059014900000000 ] - [ 0.0006956600000000, 0.0014784100000000, 0.0071658200000000 ] - [ -0.0005508500000000, 0.0014826100000000, 0.0058821800000000 ] - [ -0.0003735000000000, -0.0020360900000000, 0.0080047000000000 ] - [ 0.0000832100000000, 0.0029674700000000, 0.0030009800000000 ] - [ 0.0000883000000000, -0.0020276200000000, 0.0065607200000000 ] - [ 0.0082047800000000, 0.0256190200000000, -0.0144198300000000 ] - [ 0.0001965300000000, 0.0042371500000000, 0.0021446500000000 ] - [ -0.0061747000000000, 0.0328555300000000, 0.0017505600000000 ] - [ -0.0012721200000000, -0.0003513900000000, -0.0000543100000000 ] - [ 0.0000265300000000, 0.0013143700000000, 0.0001916200000000 ] - [ -0.0001870400000000, 0.0005414800000000, -0.0000286300000000 ] - [ -0.0005435300000000, 0.0000242200000000, 0.0003636700000000 ] - [ 0.0001595400000000, 0.0009864700000000, 0.0001753100000000 ] - [ 0.0002173300000000, 0.0006211800000000, 0.0003753200000000 ] - [ 0.0010945500000000, -0.0001322300000000, 0.0053721200000000 ] - [ 0.0001621400000000, 0.0021441900000000, 0.0035538400000000 ] - [ 0.0000989400000000, -0.0003966800000000, 0.0043287900000000 ] - [ 0.0007744600000000, -0.0005906700000000, 0.0037119400000000 ] - [ 0.0000221500000000, 0.0026683000000000, 0.0030618200000000 ] - [ -0.0019847700000000, 0.0014247500000000, 0.0045488400000000 ] - [ -0.0034728700000000, 0.0007634500000000, -0.0001723100000000 ] - [ 0.0015051200000000, -0.0012905100000000, 0.0040426800000000 ] - [ 0.0002559800000000, 0.0014153700000000, 0.0046435800000000 ] - [ -0.0003727400000000, -0.0006494100000000, 0.0049860000000000 ] - [ 0.0001484200000000, -0.0018272900000000, 0.0036537300000000 ] - [ 0.0003313700000000, 0.0012506200000000, 0.0047137800000000 ] - [ 0.0130706200000000, -0.0003032700000000, 0.0015530600000000 ] - [ 0.0003562000000000, 0.0044942100000000, -0.0033396400000000 ] - [ -0.0009412100000000, 0.0036923200000000, -0.0048233900000000 ] - [ -0.0002814200000000, 0.0003137200000000, -0.0042643600000000 ] - [ 0.0004423200000000, 0.0031257900000000, -0.0038093900000000 ] - [ -0.0006779100000000, 0.0038720900000000, -0.0020126600000000 ] - [ -0.0009286600000000, -0.0017828700000000, 0.0001277900000000 ] - [ -0.0017825700000000, 0.0000311100000000, 0.0011598600000000 ] - [ 0.0002145300000000, 0.0000894900000000, 0.0001787700000000 ] - [ 0.0107328400000000, 0.0000442600000000, 0.0049133100000000 ] - [ -0.0011654300000000, 0.0000559600000000, -0.0007011300000000 ] - [ 0.0003271600000000, 0.0002316900000000, 0.0003041800000000 ] - [ 0.0024808200000000, -0.0114457600000000, 0.0213957700000000 ] - [ 0.0004416200000000, 0.0048055700000000, 0.0033887100000000 ] - [ -0.0004868600000000, 0.0040566600000000, 0.0014844600000000 ] - [ -0.0015701900000000, -0.0113962500000000, 0.0104747700000000 ] - [ 0.0010260100000000, 0.0048069200000000, 0.0024397000000000 ] - [ 0.0002214800000000, 0.0040625900000000, 0.0042694200000000 ] - [ 0.0008676000000000, -0.0053644100000000, -0.0024022300000000 ] - [ 0.0014000000000000, -0.0007466300000000, -0.0027470600000000 ] - [ -0.0001872100000000, -0.0009980300000000, -0.0040014300000000 ] - [ -0.0092035600000000, -0.0058854500000000, 0.0003035700000000 ] - [ 0.0013454300000000, -0.0003254500000000, -0.0056006600000000 ] - [ -0.0002515700000000, 0.0000056000000000, -0.0044254800000000 ] - [ 0.0018010800000000, -0.0020741300000000, 0.0054493200000000 ] - [ 0.0002380300000000, 0.0018701300000000, 0.0041094100000000 ] - [ -0.0002290300000000, 0.0028303600000000, 0.0034117300000000 ] - [ 0.0003082900000000, -0.0020803100000000, 0.0062490400000000 ] - [ 0.0002588200000000, 0.0018702100000000, 0.0038454600000000 ] - [ -0.0014873600000000, 0.0028255000000000, 0.0047932000000000 ] - [ -0.0218376600000000, 0.0057074800000000, 0.0031110100000000 ] - [ -0.0005486300000000, 0.0014766400000000, 0.0000454100000000 ] - [ 0.0013081600000000, 0.0012213900000000, -0.0005137100000000 ] - [ 0.0002831500000000, -0.0002689700000000, 0.0006384000000000 ] - [ -0.0004528200000000, 0.0011750700000000, 0.0001473000000000 ] - [ 0.0005873800000000, 0.0009856500000000, 0.0008214400000000 ] - [ 0.0000591100000000, -0.0013081700000000, 0.0001581300000000 ] - [ -0.0004750300000000, -0.0003629300000000, 0.0004347600000000 ] - [ -0.0001219800000000, -0.0000680900000000, 0.0001751200000000 ] - [ -0.0003606200000000, -0.0010303700000000, 0.0001280300000000 ] - [ -0.0002746600000000, -0.0005970000000000, -0.0001021000000000 ] - [ -0.0000748200000000, 0.0001292900000000, 0.0001239100000000 ] - [ -0.0039309900000000, -0.0074580000000000, 0.0043202300000000 ] - [ 0.0015885500000000, 0.0004656100000000, 0.0040705800000000 ] - [ 0.0000314100000000, 0.0004751100000000, 0.0050601000000000 ] - [ -0.0003282700000000, -0.0026974200000000, 0.0040576300000000 ] - [ 0.0005342300000000, 0.0000716800000000, 0.0051530400000000 ] - [ -0.0000384900000000, 0.0000783300000000, 0.0052017300000000 ] - [ 0.0001127300000000, -0.0027135400000000, -0.0030999600000000 ] - [ 0.0105103400000000, 0.0209984600000000, 0.0253591500000000 ] - [ -0.0001009000000000, 0.0026880300000000, 0.0053328700000000 ] - [ -0.0080921900000000, 0.0130088300000000, 0.0168155000000000 ] - [ 0.0008558300000000, -0.0037011800000000, 0.0000788400000000 ] - [ -0.0004254800000000, 0.0023795700000000, 0.0054684800000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008386000000000, -0.0021138900000000, -0.0014938600000000 ] - [ -0.0015007400000000, 0.0016603900000000, -0.0003298300000000 ] - [ 0.0001447000000000, 0.0010289000000000, -0.0002928000000000 ] - [ 0.0004660700000000, -0.0006168700000000, 0.0008283900000000 ] - [ -0.0003288600000000, 0.0001429600000000, -0.0000324700000000 ] - [ 0.0000624600000000, 0.0008250900000000, -0.0000350400000000 ] - [ -0.0012545900000000, -0.0009912500000000, 0.0013087400000000 ] - [ -0.0002173700000000, 0.0006921000000000, 0.0000031500000000 ] - [ 0.0001281100000000, -0.0001922300000000, -0.0002928100000000 ] - [ -0.0009165800000000, -0.0017061200000000, -0.0016859300000000 ] - [ -0.0001717500000000, 0.0006973500000000, -0.0002878700000000 ] - [ 0.0008795000000000, 0.0008427700000000, 0.0000035800000000 ] - [ 0.0000261400000000, -0.0143625700000000, -0.0063332200000000 ] - [ -0.0030940900000000, 0.0075520500000000, 0.0032921100000000 ] - [ -0.0010268800000000, 0.0046577600000000, -0.0073950000000000 ] - [ -0.0122920100000000, -0.0109818100000000, -0.0092377400000000 ] - [ -0.0023386900000000, 0.0108838800000000, -0.0180069900000000 ] - [ -0.0011282700000000, 0.0061814300000000, -0.0059075200000000 ] - [ 0.0027647800000000, -0.0055132000000000, -0.0102064900000000 ] - [ 0.0009502400000000, 0.0037851300000000, -0.0077973200000000 ] - [ -0.0001599000000000, 0.0033231200000000, -0.0085616900000000 ] - [ 0.0006153100000000, -0.0029725600000000, -0.0062884400000000 ] - [ 0.0008729500000000, 0.0029702400000000, -0.0076985700000000 ] - [ 0.0004734300000000, 0.0008204400000000, -0.0063880800000000 ] - [ 0.0195932400000000, -0.0725077400000000, -0.0385927400000000 ] - [ -0.0003646100000000, 0.0073952500000000, -0.0084942700000000 ] - [ 0.0020440000000000, 0.0112698900000000, -0.0205775500000000 ] - [ -0.0015211900000000, -0.0074827900000000, -0.0023007000000000 ] - [ -0.0005180000000000, 0.0053791400000000, -0.0081658100000000 ] - [ 0.0002770900000000, 0.0058544400000000, -0.0017793400000000 ] - [ 0.0006839100000000, -0.0053236000000000, -0.0093164200000000 ] - [ 0.0009013300000000, 0.0001983300000000, -0.0068397900000000 ] - [ 0.0007498600000000, 0.0026585200000000, -0.0075335500000000 ] - [ -0.0017879700000000, -0.0027965300000000, -0.0060437200000000 ] - [ 0.0010307400000000, -0.0008495500000000, -0.0088024600000000 ] - [ 0.0006192200000000, 0.0033710200000000, -0.0076382400000000 ] - [ -0.0098075800000000, -0.0176369000000000, -0.0017280000000000 ] - [ 0.0064700100000000, -0.0003878700000000, 0.0013685100000000 ] - [ -0.0009839700000000, -0.0021163800000000, 0.0014257800000000 ] - [ -0.0012356000000000, -0.0086865800000000, 0.0059101900000000 ] - [ 0.0015369800000000, -0.0053366400000000, 0.0027778000000000 ] - [ -0.0003192000000000, -0.0028166100000000, 0.0024306500000000 ] - [ 0.0054631400000000, 0.0020669700000000, 0.0061454700000000 ] - [ 0.0010978400000000, 0.0081459000000000, 0.0029544800000000 ] - [ -0.0006921200000000, 0.0059507300000000, 0.0011121800000000 ] - [ 0.0034481800000000, -0.0031634500000000, -0.0024108500000000 ] - [ 0.0009037700000000, 0.0084356400000000, 0.0020845400000000 ] - [ -0.0045718800000000, 0.0099217800000000, 0.0049194600000000 ] - [ -0.0123940800000000, 0.1595071600000000, 0.0914522000000000 ] - [ -0.0000717100000000, -0.0065484200000000, 0.0028828600000000 ] - [ 0.0004080000000000, -0.0065864100000000, 0.0027947200000000 ] - [ -0.0004256200000000, 0.0009154800000000, 0.0030703900000000 ] - [ -0.0007489200000000, -0.0035342000000000, 0.0018121900000000 ] - [ 0.0004856300000000, -0.0035294600000000, 0.0030884100000000 ] - [ 0.0001060200000000, 0.0030531200000000, -0.0000128400000000 ] - [ -0.0003482700000000, -0.0018924000000000, 0.0049502300000000 ] - [ -0.0003538300000000, 0.0030911100000000, 0.0014081000000000 ] - [ -0.0083170200000000, -0.0241618800000000, 0.0220919800000000 ] - [ -0.0004592900000000, -0.0031620500000000, 0.0058033200000000 ] - [ 0.0060070000000000, -0.0323063900000000, 0.0061497100000000 ] - [ 0.0014590200000000, 0.0014395300000000, 0.0003716800000000 ] - [ 0.0001967900000000, -0.0002121300000000, 0.0001278700000000 ] - [ 0.0004081100000000, 0.0005593000000000, 0.0003456300000000 ] - [ 0.0007573400000000, 0.0010688700000000, -0.0000446800000000 ] - [ 0.0000642700000000, 0.0001124500000000, 0.0001419800000000 ] - [ 0.0000051300000000, 0.0004785300000000, -0.0000574900000000 ] - [ -0.0008265300000000, 0.0011772100000000, 0.0025915200000000 ] - [ 0.0001115500000000, -0.0010742400000000, 0.0044026500000000 ] - [ 0.0001717200000000, 0.0014649800000000, 0.0036258300000000 ] - [ -0.0005061300000000, 0.0016278700000000, 0.0042503400000000 ] - [ 0.0002499100000000, -0.0015960200000000, 0.0048920100000000 ] - [ 0.0022276700000000, -0.0003283200000000, 0.0034152700000000 ] - [ 0.0037064300000000, -0.0018011000000000, 0.0080959500000000 ] - [ -0.0012376100000000, 0.0001991900000000, 0.0039047400000000 ] - [ 0.0000179100000000, -0.0024662000000000, 0.0033214900000000 ] - [ 0.0006406300000000, -0.0003921800000000, 0.0029872300000000 ] - [ 0.0001165100000000, 0.0007466400000000, 0.0043011000000000 ] - [ -0.0000579400000000, -0.0023044900000000, 0.0032457700000000 ] - [ -0.0130883900000000, 0.0044485100000000, -0.0094474400000000 ] - [ -0.0003506900000000, -0.0002308700000000, -0.0044892800000000 ] - [ 0.0009491100000000, 0.0005758400000000, -0.0030065400000000 ] - [ 0.0002735800000000, 0.0039267800000000, -0.0035650300000000 ] - [ -0.0004342700000000, 0.0011255300000000, -0.0040266900000000 ] - [ 0.0006764500000000, 0.0003907300000000, -0.0058220000000000 ] - [ 0.0007028700000000, 0.0006839700000000, 0.0001861700000000 ] - [ 0.0015369400000000, -0.0011260500000000, -0.0008326600000000 ] - [ -0.0004426500000000, -0.0011827800000000, 0.0001405200000000 ] - [ -0.0110381500000000, -0.0010983700000000, -0.0045713200000000 ] - [ 0.0009230000000000, -0.0011518200000000, 0.0010095700000000 ] - [ -0.0005574200000000, -0.0013248700000000, 0.0000108500000000 ] - [ -0.0025237200000000, 0.0133577400000000, -0.0124226200000000 ] - [ -0.0005007900000000, -0.0027162400000000, 0.0055676500000000 ] - [ 0.0004302300000000, -0.0019893500000000, 0.0074814400000000 ] - [ 0.0015048700000000, 0.0134084000000000, -0.0013434800000000 ] - [ -0.0010789000000000, -0.0027139000000000, 0.0065037700000000 ] - [ -0.0002832800000000, -0.0019827200000000, 0.0046758000000000 ] - [ -0.0008659800000000, 0.0011049900000000, -0.0054275000000000 ] - [ -0.0013869900000000, -0.0035028100000000, -0.0050752400000000 ] - [ 0.0001904800000000, -0.0032436100000000, -0.0038326000000000 ] - [ 0.0090911500000000, 0.0016920900000000, -0.0080743700000000 ] - [ -0.0013285500000000, -0.0039179700000000, -0.0022456800000000 ] - [ 0.0002564600000000, -0.0042440400000000, -0.0034111700000000 ] - [ -0.0017412700000000, 0.0041316800000000, 0.0035097200000000 ] - [ -0.0001704100000000, 0.0001909600000000, 0.0048519000000000 ] - [ 0.0002945400000000, -0.0007459600000000, 0.0055370700000000 ] - [ -0.0002492600000000, 0.0041261700000000, 0.0027251900000000 ] - [ -0.0001897300000000, 0.0001911100000000, 0.0051112000000000 ] - [ 0.0015566000000000, -0.0007509100000000, 0.0041585100000000 ] - [ 0.0211700700000000, -0.0046333900000000, -0.0027809100000000 ] - [ 0.0003190800000000, -0.0003730900000000, 0.0002719100000000 ] - [ -0.0015473500000000, -0.0001153600000000, 0.0008274400000000 ] - [ -0.0004957500000000, 0.0013583200000000, -0.0003166800000000 ] - [ 0.0002195500000000, -0.0000744200000000, 0.0001692500000000 ] - [ -0.0008119300000000, 0.0001142400000000, -0.0005028300000000 ] - [ 0.0001585200000000, 0.0002085400000000, 0.0001573800000000 ] - [ 0.0006933800000000, -0.0007347700000000, -0.0001146100000000 ] - [ 0.0003442800000000, -0.0010247100000000, 0.0001433200000000 ] - [ 0.0005620400000000, -0.0000659200000000, 0.0001913900000000 ] - [ 0.0004929100000000, -0.0005026800000000, 0.0004166800000000 ] - [ 0.0002997000000000, -0.0012224300000000, 0.0001935600000000 ] - [ 0.0039702800000000, 0.0053613600000000, 0.0046315000000000 ] - [ -0.0015108100000000, -0.0025273500000000, 0.0048796800000000 ] - [ 0.0000376800000000, -0.0025184200000000, 0.0039075500000000 ] - [ 0.0003876000000000, 0.0006240200000000, 0.0048985400000000 ] - [ -0.0004668500000000, -0.0021369400000000, 0.0038065800000000 ] - [ 0.0001049600000000, -0.0021300600000000, 0.0037624100000000 ] - [ -0.0003626600000000, 0.0016545500000000, 0.0110780400000000 ] - [ -0.0106140100000000, -0.0217508000000000, -0.0171593400000000 ] - [ -0.0001641700000000, -0.0037326900000000, 0.0026349500000000 ] - [ 0.0078124600000000, -0.0140729600000000, -0.0087671800000000 ] - [ -0.0011159400000000, 0.0025922100000000, 0.0078270000000000 ] - [ 0.0001587400000000, -0.0034310800000000, 0.0024885400000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003431900000000, 0.0016794900000000, 0.0016129900000000 ] - [ 0.0007530200000000, -0.0008928400000000, 0.0001364800000000 ] - [ -0.0001177200000000, -0.0002106300000000, 0.0000142800000000 ] - [ -0.0008447900000000, 0.0005169400000000, -0.0016483700000000 ] - [ 0.0000234600000000, 0.0002974200000000, -0.0003832200000000 ] - [ -0.0001284000000000, -0.0003048800000000, -0.0002968900000000 ] - [ 0.0008590200000000, 0.0000458200000000, -0.0014814100000000 ] - [ 0.0000718800000000, -0.0005766900000000, -0.0002831000000000 ] - [ -0.0000890500000000, 0.0001206000000000, -0.0003849400000000 ] - [ -0.0007141000000000, 0.0014059500000000, 0.0009736400000000 ] - [ 0.0000169300000000, -0.0005147300000000, -0.0000215400000000 ] - [ -0.0010700000000000, -0.0013542900000000, 0.0001260400000000 ] - [ -0.0011797400000000, 0.0132323800000000, -0.0183397400000000 ] - [ 0.0001928100000000, -0.0048847400000000, -0.0150181900000000 ] - [ -0.0006526900000000, -0.0024044400000000, -0.0089842000000000 ] - [ 0.0175281600000000, 0.0069240700000000, 0.0239598800000000 ] - [ -0.0005249300000000, -0.0030675400000000, -0.0023431900000000 ] - [ -0.0006312900000000, -0.0039867500000000, -0.0072640200000000 ] - [ -0.0018999600000000, 0.0001859000000000, -0.0062528300000000 ] - [ 0.0008584300000000, -0.0011999800000000, -0.0073522600000000 ] - [ 0.0004537500000000, 0.0021999400000000, -0.0068934000000000 ] - [ 0.0014214500000000, 0.0020348600000000, -0.0095010700000000 ] - [ 0.0008138800000000, -0.0009394700000000, -0.0079367900000000 ] - [ 0.0009931800000000, 0.0001610700000000, -0.0090907400000000 ] - [ -0.0114808300000000, 0.0333162800000000, 0.0196849800000000 ] - [ -0.0011090800000000, -0.0026801500000000, -0.0066667600000000 ] - [ -0.0017609900000000, -0.0009121400000000, 0.0009909800000000 ] - [ 0.0003555100000000, 0.0089214300000000, -0.0206189400000000 ] - [ -0.0009511100000000, -0.0020311900000000, -0.0080422600000000 ] - [ -0.0022005200000000, -0.0080227500000000, -0.0162320600000000 ] - [ 0.0001611900000000, 0.0012155400000000, -0.0105017200000000 ] - [ 0.0007851500000000, -0.0014247800000000, -0.0090697800000000 ] - [ 0.0008615300000000, -0.0010966600000000, -0.0084559300000000 ] - [ 0.0047951300000000, 0.0003441100000000, -0.0040475800000000 ] - [ 0.0007799600000000, -0.0000710800000000, -0.0063986400000000 ] - [ 0.0009718300000000, -0.0019118800000000, -0.0068832100000000 ] - [ -0.0015069000000000, -0.0019710100000000, 0.0170185100000000 ] - [ -0.0023331900000000, -0.0083491300000000, 0.0037678200000000 ] - [ 0.0006910800000000, -0.0063840500000000, 0.0031090400000000 ] - [ 0.0030318800000000, -0.0032142700000000, -0.0036845700000000 ] - [ -0.0001607200000000, -0.0049053700000000, 0.0012124300000000 ] - [ 0.0006156600000000, -0.0070954200000000, 0.0016658600000000 ] - [ -0.0053973900000000, 0.0054821600000000, -0.0029499700000000 ] - [ -0.0003934700000000, 0.0041036500000000, 0.0017920300000000 ] - [ 0.0003270900000000, 0.0067035000000000, 0.0014841900000000 ] - [ 0.0063027800000000, 0.0139579700000000, 0.0033198100000000 ] - [ -0.0000734800000000, 0.0041193000000000, 0.0023674300000000 ] - [ 0.0042312700000000, 0.0013304100000000, 0.0029875000000000 ] - [ -0.0014726400000000, -0.0889246900000000, -0.1281617200000000 ] - [ -0.0001208900000000, 0.0006310200000000, 0.0043146900000000 ] - [ -0.0001216900000000, 0.0005687500000000, 0.0043170400000000 ] - [ 0.0002356700000000, 0.0003781300000000, 0.0108364100000000 ] - [ 0.0003788100000000, 0.0003589700000000, 0.0062892000000000 ] - [ -0.0008414300000000, 0.0016265900000000, 0.0062846100000000 ] - [ -0.0015447900000000, -0.0022354000000000, 0.0089328500000000 ] - [ -0.0000393200000000, 0.0016507500000000, 0.0038297300000000 ] - [ 0.0002711800000000, -0.0028253600000000, 0.0093217700000000 ] - [ 0.0039592900000000, 0.0053330100000000, -0.0078177800000000 ] - [ -0.0001604000000000, 0.0022448500000000, 0.0028002100000000 ] - [ -0.0036736100000000, 0.0149416900000000, -0.0058397800000000 ] - [ 0.0004779000000000, 0.0003656700000000, 0.0000336900000000 ] - [ 0.0000405500000000, 0.0009433300000000, 0.0001336200000000 ] - [ 0.0004792400000000, 0.0004013800000000, -0.0000809200000000 ] - [ -0.0001328900000000, 0.0002279200000000, 0.0004700700000000 ] - [ 0.0002228700000000, 0.0007599500000000, 0.0001931300000000 ] - [ 0.0004464200000000, 0.0006874200000000, 0.0004211200000000 ] - [ 0.0009060800000000, 0.0002797900000000, 0.0056035700000000 ] - [ 0.0000129100000000, 0.0011622900000000, 0.0040652300000000 ] - [ -0.0001113700000000, -0.0003995800000000, 0.0054179100000000 ] - [ -0.0003473300000000, 0.0007691900000000, 0.0021847700000000 ] - [ 0.0000359700000000, 0.0014641200000000, 0.0033043900000000 ] - [ 0.0010766600000000, -0.0005966100000000, 0.0016740000000000 ] - [ 0.0017018500000000, -0.0022226100000000, 0.0053103800000000 ] - [ 0.0011616800000000, 0.0005197400000000, 0.0045571200000000 ] - [ 0.0001548600000000, 0.0002435900000000, 0.0042368400000000 ] - [ -0.0008691800000000, -0.0003290000000000, 0.0043480400000000 ] - [ -0.0004146700000000, -0.0015630700000000, 0.0039286800000000 ] - [ 0.0000607200000000, 0.0002536600000000, 0.0042346100000000 ] - [ 0.0117090900000000, 0.0048589100000000, -0.0009453500000000 ] - [ 0.0001105200000000, 0.0031711600000000, -0.0036990000000000 ] - [ -0.0005633900000000, 0.0018703000000000, -0.0045315300000000 ] - [ -0.0016709800000000, 0.0011537000000000, -0.0029135600000000 ] - [ 0.0001147400000000, 0.0025507600000000, -0.0038153600000000 ] - [ -0.0011871300000000, 0.0039753700000000, -0.0026744000000000 ] - [ -0.0014075200000000, -0.0016427600000000, 0.0009943600000000 ] - [ -0.0008855900000000, -0.0001842100000000, 0.0009371400000000 ] - [ 0.0000415600000000, -0.0002809900000000, 0.0002764300000000 ] - [ 0.0152098200000000, 0.0036364000000000, 0.0037655300000000 ] - [ -0.0003476900000000, -0.0005248200000000, -0.0004682100000000 ] - [ 0.0000888300000000, -0.0000682500000000, 0.0001227900000000 ] - [ 0.0028664300000000, -0.0048476800000000, 0.0295560300000000 ] - [ 0.0001817700000000, 0.0030598700000000, 0.0037990300000000 ] - [ -0.0004980300000000, 0.0012316700000000, 0.0035136200000000 ] - [ -0.0039019200000000, -0.0156959700000000, 0.0291706200000000 ] - [ 0.0002908100000000, 0.0021174000000000, 0.0038041000000000 ] - [ -0.0000937600000000, 0.0040119500000000, 0.0035212100000000 ] - [ 0.0009586600000000, -0.0044527400000000, -0.0007001100000000 ] - [ 0.0006072700000000, -0.0013830400000000, -0.0028583200000000 ] - [ -0.0003058800000000, -0.0021728300000000, -0.0034945100000000 ] - [ -0.0185366700000000, 0.0007900600000000, -0.0004613500000000 ] - [ 0.0003402100000000, -0.0014584700000000, -0.0050673100000000 ] - [ -0.0002232500000000, -0.0004842100000000, -0.0046051500000000 ] - [ 0.0014154100000000, -0.0007252400000000, 0.0052575400000000 ] - [ 0.0000457400000000, 0.0016653000000000, 0.0042274600000000 ] - [ -0.0001064800000000, 0.0007177900000000, 0.0045744400000000 ] - [ -0.0009271300000000, 0.0000595500000000, 0.0052675900000000 ] - [ 0.0000502200000000, 0.0014007700000000, 0.0042294600000000 ] - [ -0.0009939400000000, 0.0020916300000000, 0.0045764000000000 ] - [ -0.0144554100000000, 0.0042414600000000, -0.0014796900000000 ] - [ -0.0001889600000000, 0.0009873600000000, 0.0000550300000000 ] - [ 0.0005139500000000, 0.0003781200000000, -0.0005525600000000 ] - [ 0.0009936000000000, -0.0001500200000000, 0.0012043500000000 ] - [ -0.0002735100000000, 0.0008466700000000, 0.0002149400000000 ] - [ 0.0008123400000000, 0.0011928300000000, 0.0011480800000000 ] - [ 0.0006229400000000, -0.0008581200000000, 0.0005886400000000 ] - [ -0.0001364400000000, -0.0003442800000000, 0.0004328900000000 ] - [ 0.0001090600000000, -0.0003973500000000, 0.0002428500000000 ] - [ -0.0000569000000000, -0.0008122600000000, -0.0003436700000000 ] - [ 0.0000919300000000, -0.0006992800000000, -0.0001104300000000 ] - [ 0.0002277500000000, -0.0001481200000000, 0.0000381200000000 ] - [ 0.0017226900000000, -0.0011912800000000, 0.0008314800000000 ] - [ 0.0006693800000000, -0.0004619000000000, 0.0040796900000000 ] - [ -0.0001669500000000, -0.0014323200000000, 0.0040813600000000 ] - [ -0.0007471100000000, -0.0014476600000000, 0.0056848500000000 ] - [ 0.0000662500000000, -0.0003142600000000, 0.0052199500000000 ] - [ -0.0001563400000000, -0.0003595000000000, 0.0052188500000000 ] - [ 0.0004821800000000, -0.0051220900000000, 0.0026490400000000 ] - [ 0.0058029300000000, 0.0106799500000000, 0.0178767600000000 ] - [ -0.0002569800000000, 0.0008569300000000, 0.0045589200000000 ] - [ -0.0125794500000000, 0.0186591500000000, 0.0256201500000000 ] - [ 0.0000219900000000, -0.0040630000000000, 0.0023293300000000 ] - [ -0.0002919300000000, 0.0009101900000000, 0.0047113500000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0003517200000000, -0.0014107900000000, -0.0019228900000000 ] - [ -0.0007578400000000, 0.0011782100000000, -0.0004340500000000 ] - [ 0.0001183600000000, 0.0004955000000000, -0.0003139100000000 ] - [ 0.0008618500000000, -0.0002371500000000, 0.0013662300000000 ] - [ -0.0000208300000000, -0.0000197900000000, 0.0000843000000000 ] - [ 0.0001311200000000, 0.0005901900000000, -0.0000003700000000 ] - [ -0.0008585000000000, -0.0003310800000000, 0.0011935600000000 ] - [ -0.0000722000000000, 0.0002969600000000, -0.0000124000000000 ] - [ 0.0000924700000000, -0.0004008100000000, 0.0000912800000000 ] - [ 0.0007203200000000, -0.0017038800000000, -0.0012854600000000 ] - [ -0.0000168800000000, 0.0002370400000000, -0.0002797400000000 ] - [ 0.0010847200000000, 0.0010923600000000, -0.0004282900000000 ] - [ -0.0004935500000000, -0.0138685100000000, 0.0030293400000000 ] - [ -0.0018862400000000, 0.0042568100000000, -0.0002904700000000 ] - [ -0.0010244500000000, 0.0017811500000000, -0.0063844100000000 ] - [ -0.0197277200000000, -0.0095055900000000, -0.0420018800000000 ] - [ -0.0011683700000000, 0.0024726800000000, -0.0131383800000000 ] - [ -0.0010499900000000, 0.0033739300000000, -0.0081365900000000 ] - [ 0.0036040600000000, 0.0004819700000000, -0.0091356400000000 ] - [ 0.0008217800000000, 0.0018634800000000, -0.0080364900000000 ] - [ 0.0012322800000000, -0.0015901400000000, -0.0085038800000000 ] - [ 0.0002491700000000, -0.0014001600000000, -0.0058862500000000 ] - [ 0.0008609500000000, 0.0015988000000000, -0.0074525300000000 ] - [ 0.0006808100000000, 0.0004850200000000, -0.0062942200000000 ] - [ 0.0097601700000000, -0.0307312700000000, -0.0345821900000000 ] - [ -0.0005666400000000, 0.0033649100000000, -0.0087203500000000 ] - [ 0.0000902100000000, 0.0015608800000000, -0.0163914600000000 ] - [ -0.0020584300000000, -0.0084280200000000, 0.0053895800000000 ] - [ -0.0007274900000000, 0.0027022100000000, -0.0073503700000000 ] - [ 0.0005366500000000, 0.0087893100000000, 0.0009143400000000 ] - [ 0.0015229300000000, -0.0018583900000000, -0.0048410800000000 ] - [ 0.0008965100000000, 0.0007819500000000, -0.0063078800000000 ] - [ 0.0008121700000000, 0.0004534900000000, -0.0069236800000000 ] - [ -0.0030993400000000, -0.0010084600000000, -0.0113785300000000 ] - [ 0.0008983200000000, -0.0005792000000000, -0.0090033600000000 ] - [ 0.0007052400000000, 0.0012734600000000, -0.0085156400000000 ] - [ 0.0018660700000000, -0.0090552900000000, -0.0125016600000000 ] - [ 0.0023687200000000, -0.0024313700000000, 0.0006699200000000 ] - [ -0.0006979000000000, -0.0044237700000000, 0.0013280900000000 ] - [ -0.0030995400000000, -0.0076229200000000, 0.0081699200000000 ] - [ 0.0001562900000000, -0.0059196500000000, 0.0032358500000000 ] - [ -0.0006266500000000, -0.0037031000000000, 0.0027791100000000 ] - [ 0.0053810500000000, 0.0053219600000000, 0.0074548700000000 ] - [ 0.0003954800000000, 0.0067238600000000, 0.0026578600000000 ] - [ -0.0003455600000000, 0.0041049700000000, 0.0029743800000000 ] - [ -0.0063343200000000, -0.0031570000000000, 0.0010158000000000 ] - [ 0.0000752600000000, 0.0067097800000000, 0.0020709500000000 ] - [ -0.0042715000000000, 0.0095067200000000, 0.0014262200000000 ] - [ 0.0017528200000000, 0.0872918600000000, 0.1397248000000000 ] - [ 0.0000630600000000, -0.0027307700000000, 0.0046406600000000 ] - [ 0.0000638500000000, -0.0026407600000000, 0.0046436400000000 ] - [ -0.0002873700000000, -0.0024540800000000, -0.0019206600000000 ] - [ -0.0004428600000000, -0.0024343200000000, 0.0026574500000000 ] - [ 0.0007928900000000, -0.0037276100000000, 0.0026528100000000 ] - [ 0.0013100200000000, 0.0033417100000000, -0.0010369200000000 ] - [ -0.0002265500000000, -0.0005983300000000, 0.0041235800000000 ] - [ -0.0005300400000000, 0.0038933800000000, -0.0014025400000000 ] - [ -0.0042368500000000, -0.0044598700000000, 0.0158351500000000 ] - [ -0.0001045500000000, -0.0011993300000000, 0.0051665500000000 ] - [ 0.0034489700000000, -0.0139042800000000, 0.0139451700000000 ] - [ -0.0002518000000000, 0.0007344000000000, 0.0002846500000000 ] - [ 0.0001972700000000, 0.0001550900000000, 0.0001843100000000 ] - [ -0.0002463600000000, 0.0007015000000000, 0.0004009000000000 ] - [ 0.0003665500000000, 0.0008755000000000, -0.0001538000000000 ] - [ 0.0000128200000000, 0.0003391000000000, 0.0001237800000000 ] - [ -0.0002206100000000, 0.0004101800000000, -0.0001064600000000 ] - [ -0.0006450700000000, 0.0007823900000000, 0.0023399200000000 ] - [ 0.0002563100000000, -0.0001049100000000, 0.0038873200000000 ] - [ 0.0003845500000000, 0.0014671400000000, 0.0025241900000000 ] - [ 0.0006166300000000, 0.0002909400000000, 0.0057865700000000 ] - [ 0.0002306200000000, -0.0004079000000000, 0.0046543100000000 ] - [ -0.0008237400000000, 0.0016764100000000, 0.0062969300000000 ] - [ -0.0014807200000000, 0.0011932900000000, 0.0026018300000000 ] - [ -0.0009000500000000, -0.0015906400000000, 0.0033826500000000 ] - [ 0.0001113500000000, -0.0013121200000000, 0.0037158500000000 ] - [ 0.0011414700000000, -0.0007272300000000, 0.0036187800000000 ] - [ 0.0006830400000000, 0.0005082000000000, 0.0040329700000000 ] - [ 0.0002064300000000, -0.0013222200000000, 0.0037195900000000 ] - [ -0.0117151600000000, -0.0006084500000000, -0.0069845400000000 ] - [ -0.0001107700000000, 0.0010568500000000, -0.0041340400000000 ] - [ 0.0005697200000000, 0.0023798100000000, -0.0032964200000000 ] - [ 0.0017028700000000, 0.0031086700000000, -0.0049118700000000 ] - [ -0.0001120100000000, 0.0016905700000000, -0.0040129600000000 ] - [ 0.0012040300000000, 0.0002517100000000, -0.0051588500000000 ] - [ 0.0011654200000000, 0.0005468100000000, -0.0006888500000000 ] - [ 0.0006547700000000, -0.0009173100000000, -0.0006237800000000 ] - [ -0.0002819400000000, -0.0008222800000000, 0.0000396100000000 ] - [ -0.0157976900000000, -0.0047950200000000, -0.0034542200000000 ] - [ 0.0001151000000000, -0.0005761200000000, 0.0007892900000000 ] - [ -0.0003278100000000, -0.0010374600000000, 0.0001944100000000 ] - [ -0.0029198300000000, 0.0069716200000000, -0.0203594700000000 ] - [ -0.0002414300000000, -0.0010062700000000, 0.0051605100000000 ] - [ 0.0004416700000000, 0.0008261300000000, 0.0054507100000000 ] - [ 0.0039246800000000, 0.0181299300000000, -0.0207475200000000 ] - [ -0.0003572600000000, -0.0000651000000000, 0.0051666900000000 ] - [ 0.0000376200000000, -0.0019840600000000, 0.0054586200000000 ] - [ -0.0009521700000000, 0.0002230900000000, -0.0071616600000000 ] - [ -0.0006125700000000, -0.0028646900000000, -0.0049817900000000 ] - [ 0.0003108200000000, -0.0020733300000000, -0.0043377400000000 ] - [ 0.0186572300000000, -0.0050425300000000, -0.0073207700000000 ] - [ -0.0003408000000000, -0.0027968000000000, -0.0027473700000000 ] - [ 0.0002267900000000, -0.0037718700000000, -0.0032177400000000 ] - [ -0.0013617400000000, 0.0027987700000000, 0.0036868400000000 ] - [ 0.0000155500000000, 0.0003981200000000, 0.0047324500000000 ] - [ 0.0001727400000000, 0.0013534600000000, 0.0043805500000000 ] - [ 0.0009876400000000, 0.0020016100000000, 0.0036959100000000 ] - [ 0.0000107800000000, 0.0006582700000000, 0.0047345600000000 ] - [ 0.0010616800000000, -0.0000332800000000, 0.0043834400000000 ] - [ 0.0141606000000000, -0.0032071300000000, 0.0017544100000000 ] - [ -0.0000447300000000, 0.0001103100000000, 0.0002624900000000 ] - [ -0.0007557600000000, 0.0007250000000000, 0.0008742000000000 ] - [ -0.0012549000000000, 0.0012604700000000, -0.0008972300000000 ] - [ 0.0000320800000000, 0.0002514600000000, 0.0001017900000000 ] - [ -0.0010606700000000, -0.0001014800000000, -0.0008427100000000 ] - [ -0.0003971300000000, -0.0002417300000000, -0.0002768500000000 ] - [ 0.0003756700000000, -0.0007568900000000, -0.0001175100000000 ] - [ 0.0001253300000000, -0.0007040400000000, 0.0000734400000000 ] - [ 0.0002712300000000, -0.0002839400000000, 0.0006665700000000 ] - [ 0.0001398000000000, -0.0003988200000000, 0.0004289700000000 ] - [ 0.0000067200000000, -0.0009563000000000, 0.0002799600000000 ] - [ -0.0016926700000000, -0.0008823900000000, 0.0081599800000000 ] - [ -0.0006182100000000, -0.0016128600000000, 0.0048823900000000 ] - [ 0.0002313600000000, -0.0006238800000000, 0.0048833800000000 ] - [ 0.0008220900000000, -0.0006087100000000, 0.0032619200000000 ] - [ -0.0000043800000000, -0.0017536800000000, 0.0037356000000000 ] - [ 0.0002205200000000, -0.0017076700000000, 0.0037346800000000 ] - [ -0.0007295300000000, 0.0040443800000000, 0.0053027400000000 ] - [ -0.0061127300000000, -0.0118895000000000, -0.0099962300000000 ] - [ -0.0000067800000000, -0.0019361600000000, 0.0033858000000000 ] - [ 0.0125068400000000, -0.0199577300000000, -0.0180209700000000 ] - [ -0.0002806600000000, 0.0030570600000000, 0.0056689200000000 ] - [ 0.0000286000000000, -0.0019846900000000, 0.0032387200000000 ]- atom: 55 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003331900000000, 0.0000951600000000, -0.0000664400000000 ] - [ -0.0005565700000000, 0.0001277800000000, -0.0004198900000000 ] - [ -0.0001482600000000, 0.0001762300000000, -0.0001590500000000 ] - [ -0.0007074300000000, -0.0004847600000000, -0.0002258400000000 ] - [ -0.0013850700000000, 0.0009612800000000, 0.0001864000000000 ] - [ -0.0001520300000000, 0.0000925400000000, -0.0001353100000000 ] - [ -0.0017738600000000, -0.0006158700000000, -0.0009494500000000 ] - [ -0.0005290400000000, 0.0002062800000000, -0.0000885300000000 ] - [ -0.0001930000000000, -0.0001914100000000, -0.0001751200000000 ] - [ -0.0007629000000000, -0.0000634400000000, 0.0004506800000000 ] - [ -0.0002316100000000, -0.0000339600000000, -0.0001893500000000 ] - [ -0.0001774000000000, -0.0002813800000000, -0.0001212700000000 ] - [ 0.0011137800000000, -0.0026694700000000, -0.0116409300000000 ] - [ 0.0250103500000000, -0.0033973400000000, -0.0007311700000000 ] - [ -0.0007024500000000, 0.0000206200000000, -0.0074409700000000 ] - [ -0.0001867500000000, -0.0053210800000000, -0.0043760400000000 ] - [ -0.0002846100000000, 0.0016411100000000, -0.0061465200000000 ] - [ -0.0007738000000000, -0.0004110200000000, -0.0081223500000000 ] - [ -0.0014412500000000, -0.0002618400000000, -0.0047788800000000 ] - [ 0.0007569100000000, -0.0002074400000000, -0.0068812800000000 ] - [ 0.0007024900000000, 0.0007631700000000, -0.0074297200000000 ] - [ -0.0017664500000000, 0.0020839000000000, -0.0092716400000000 ] - [ -0.0013191500000000, -0.0022683200000000, -0.0086768100000000 ] - [ 0.0005462500000000, 0.0004981300000000, -0.0081300400000000 ] - [ 0.0016741300000000, -0.0008143300000000, -0.0084699200000000 ] - [ -0.0001027900000000, 0.0027982400000000, -0.0112152800000000 ] - [ -0.0008496900000000, -0.0003496800000000, -0.0075014000000000 ] - [ 0.0308782000000000, 0.0099563200000000, -0.0181152400000000 ] - [ 0.0015430300000000, 0.0024450700000000, -0.0065857800000000 ] - [ -0.0007314500000000, -0.0008902900000000, -0.0079203600000000 ] - [ -0.0000976300000000, 0.0032061300000000, -0.0093556300000000 ] - [ -0.0021895800000000, -0.0011647000000000, -0.0064892100000000 ] - [ 0.0005507800000000, -0.0009941600000000, -0.0075592600000000 ] - [ 0.0006666100000000, 0.0006097500000000, -0.0073092800000000 ] - [ -0.0000742200000000, -0.0008428700000000, -0.0088338300000000 ] - [ 0.0007085900000000, -0.0009379100000000, -0.0080623000000000 ] - [ 0.0014841100000000, -0.0030126700000000, 0.0030973500000000 ] - [ 0.0020626600000000, -0.0057010500000000, 0.0022701800000000 ] - [ 0.0006704600000000, -0.0054377100000000, 0.0022547200000000 ] - [ 0.0035313100000000, -0.0044692700000000, 0.0018110900000000 ] - [ -0.0003720100000000, -0.0155386000000000, -0.0010429400000000 ] - [ 0.0006767700000000, -0.0063015600000000, 0.0023678700000000 ] - [ 0.0024549300000000, 0.0108646600000000, 0.0090773000000000 ] - [ 0.0035050600000000, 0.0031758100000000, 0.0041324700000000 ] - [ 0.0008056700000000, 0.0055913800000000, 0.0023105100000000 ] - [ 0.0039020400000000, 0.0054660600000000, 0.0017120500000000 ] - [ 0.0011313700000000, 0.0050139800000000, -0.0001896200000000 ] - [ 0.0007670800000000, 0.0051215600000000, 0.0021878600000000 ] - [ -0.0011208700000000, -0.0012684700000000, 0.0030498900000000 ] - [ -0.0006915200000000, -0.0008146800000000, 0.0048762600000000 ] - [ -0.0001846100000000, -0.0008170500000000, 0.0045722900000000 ] - [ -0.0040466800000000, 0.0072757000000000, 0.0085762600000000 ] - [ -0.0041287400000000, -0.0071833900000000, 0.0008970200000000 ] - [ -0.0003207200000000, -0.0007033800000000, 0.0044497500000000 ] - [ -0.0555518200000000, -0.0020186300000000, 0.0196206000000000 ] - [ -0.0009198200000000, 0.0001572200000000, 0.0041145900000000 ] - [ -0.0009207500000000, 0.0011877800000000, 0.0040320200000000 ] - [ -0.0010399300000000, 0.0008029600000000, 0.0037116900000000 ] - [ -0.0009251100000000, -0.0001171700000000, 0.0048051500000000 ] - [ -0.0009254800000000, 0.0013371700000000, 0.0029144100000000 ] - [ 0.0015519300000000, 0.0007499200000000, -0.0000266400000000 ] - [ 0.0005270400000000, 0.0005658600000000, 0.0000912600000000 ] - [ 0.0003518300000000, 0.0005458800000000, 0.0001182100000000 ] - [ 0.0018594900000000, 0.0005357600000000, 0.0001886600000000 ] - [ 0.0012750100000000, 0.0006797600000000, 0.0002826800000000 ] - [ 0.0005116300000000, 0.0006929000000000, 0.0001914900000000 ] - [ 0.0013862500000000, 0.0004367400000000, 0.0048927700000000 ] - [ 0.0000740300000000, 0.0011712500000000, 0.0033901400000000 ] - [ 0.0000736500000000, -0.0003485500000000, 0.0046588100000000 ] - [ -0.0001341300000000, 0.0009567900000000, 0.0033599600000000 ] - [ 0.0000735400000000, 0.0008233000000000, 0.0039568500000000 ] - [ 0.0000737600000000, 0.0003210500000000, 0.0038177900000000 ] - [ -0.0001275400000000, -0.0011899300000000, 0.0035002300000000 ] - [ 0.0013827900000000, 0.0006087200000000, 0.0028058700000000 ] - [ 0.0002555100000000, -0.0001508500000000, 0.0038029200000000 ] - [ -0.0001267900000000, -0.0006100400000000, 0.0038152500000000 ] - [ 0.0013827500000000, -0.0016176000000000, 0.0054511100000000 ] - [ 0.0002564900000000, 0.0003824200000000, 0.0046824000000000 ] - [ -0.0015439700000000, 0.0000393500000000, -0.0116055100000000 ] - [ -0.0009432400000000, 0.0019951300000000, -0.0040925700000000 ] - [ -0.0002744800000000, 0.0020999900000000, -0.0039842400000000 ] - [ 0.0007177800000000, -0.0029177600000000, 0.0016296000000000 ] - [ -0.0016026100000000, 0.0091680200000000, -0.0022246600000000 ] - [ -0.0002692500000000, 0.0023664500000000, -0.0037501700000000 ] - [ -0.0002008100000000, -0.0002864700000000, 0.0005613000000000 ] - [ 0.0026318000000000, -0.0061846700000000, 0.0046402900000000 ] - [ -0.0001322500000000, -0.0006442100000000, 0.0001412900000000 ] - [ 0.0004602200000000, -0.0002466700000000, -0.0001142100000000 ] - [ -0.0003170500000000, -0.0008338600000000, -0.0001098800000000 ] - [ -0.0000887500000000, -0.0005576900000000, 0.0002090400000000 ] - [ -0.0021560100000000, 0.0007972100000000, 0.0050912400000000 ] - [ -0.0030762800000000, -0.0095311600000000, 0.0104368400000000 ] - [ -0.0002603300000000, 0.0010009500000000, 0.0043531000000000 ] - [ -0.0029855900000000, 0.0089916400000000, -0.0080787600000000 ] - [ -0.0008954500000000, 0.0000411600000000, 0.0046300200000000 ] - [ -0.0001826400000000, 0.0013255300000000, 0.0043154900000000 ] - [ -0.0017330200000000, -0.0050796100000000, -0.0016959000000000 ] - [ 0.0023673300000000, 0.0068130600000000, -0.0077387400000000 ] - [ -0.0002436100000000, -0.0019705900000000, -0.0039806400000000 ] - [ -0.0011105800000000, -0.0020724800000000, -0.0044691200000000 ] - [ -0.0006809600000000, -0.0025125200000000, -0.0033060600000000 ] - [ -0.0002131900000000, -0.0019804600000000, -0.0038583200000000 ] - [ 0.0048989400000000, -0.0025731700000000, 0.0028786200000000 ] - [ 0.0002772900000000, 0.0024104700000000, 0.0034424900000000 ] - [ -0.0001188900000000, 0.0011500900000000, 0.0044575200000000 ] - [ 0.0001056400000000, 0.0005230700000000, 0.0054878100000000 ] - [ 0.0001077300000000, 0.0010480200000000, 0.0050294600000000 ] - [ -0.0001624600000000, 0.0012281200000000, 0.0045494000000000 ] - [ -0.0006585200000000, 0.0006681700000000, 0.0003253300000000 ] - [ 0.0001615200000000, 0.0003430600000000, 0.0003592900000000 ] - [ -0.0000284300000000, 0.0006181200000000, 0.0001430300000000 ] - [ 0.0059523900000000, 0.0063999000000000, -0.0079993900000000 ] - [ -0.0004490500000000, 0.0003515600000000, 0.0002111600000000 ] - [ -0.0001671600000000, 0.0007683400000000, 0.0001935100000000 ] - [ 0.0012762800000000, -0.0008022300000000, 0.0004705000000000 ] - [ 0.0019854100000000, -0.0007274100000000, 0.0001501400000000 ] - [ 0.0004315000000000, -0.0005895900000000, 0.0001270100000000 ] - [ 0.0006582200000000, -0.0005857000000000, 0.0000187100000000 ] - [ 0.0010546400000000, -0.0006293200000000, 0.0001131500000000 ] - [ 0.0003544700000000, -0.0005135800000000, 0.0001857800000000 ] - [ -0.0000102500000000, -0.0019939100000000, 0.0037001300000000 ] - [ -0.0002662300000000, -0.0009981200000000, 0.0047260300000000 ] - [ -0.0001634100000000, -0.0010580800000000, 0.0045989700000000 ] - [ -0.0001675800000000, -0.0016752900000000, 0.0049622000000000 ] - [ 0.0028283600000000, 0.0010835000000000, 0.0035213400000000 ] - [ -0.0000272600000000, -0.0009178500000000, 0.0045751100000000 ] - [ -0.0009514100000000, 0.0000883300000000, 0.0047491000000000 ] - [ -0.0042941000000000, 0.0016587100000000, 0.0073841200000000 ] - [ -0.0009099500000000, -0.0015893300000000, 0.0035484200000000 ] - [ -0.0009508700000000, 0.0007454800000000, 0.0047952800000000 ] - [ -0.0042924900000000, -0.0046430500000000, 0.0004705600000000 ] - [ -0.0009129400000000, -0.0002531200000000, 0.0041743100000000 ]- atom: 55 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003287900000000, 0.0001828400000000, -0.0002311800000000 ] - [ 0.0005527000000000, 0.0001525500000000, 0.0001246500000000 ] - [ 0.0001469500000000, 0.0001053000000000, -0.0001389700000000 ] - [ 0.0007035900000000, 0.0007665100000000, -0.0000731300000000 ] - [ 0.0013830600000000, -0.0006819400000000, -0.0004877800000000 ] - [ 0.0001518000000000, 0.0001861300000000, -0.0001624800000000 ] - [ 0.0017690300000000, 0.0003361700000000, 0.0006533600000000 ] - [ 0.0005266400000000, -0.0004884800000000, -0.0002077400000000 ] - [ 0.0001905800000000, -0.0000891300000000, -0.0001228600000000 ] - [ 0.0007600000000000, -0.0002171800000000, -0.0007498900000000 ] - [ 0.0002302300000000, -0.0002450800000000, -0.0001106200000000 ] - [ 0.0001752100000000, 0.0000004300000000, -0.0001740500000000 ] - [ -0.0027656100000000, 0.0019889300000000, -0.0037900700000000 ] - [ -0.0265319600000000, 0.0029523800000000, -0.0148340600000000 ] - [ -0.0009654600000000, -0.0006658800000000, -0.0079493600000000 ] - [ -0.0014820500000000, 0.0046532300000000, -0.0109971400000000 ] - [ -0.0014014700000000, -0.0022485700000000, -0.0091979100000000 ] - [ -0.0008985800000000, -0.0002350400000000, -0.0072622600000000 ] - [ 0.0030918500000000, 0.0008964700000000, -0.0105871600000000 ] - [ 0.0009159700000000, 0.0008504100000000, -0.0085002700000000 ] - [ 0.0009706800000000, -0.0001140400000000, -0.0079560200000000 ] - [ 0.0034302100000000, -0.0014154400000000, -0.0061414200000000 ] - [ 0.0029663800000000, 0.0028930800000000, -0.0067145800000000 ] - [ 0.0011180100000000, 0.0001486200000000, -0.0072590600000000 ] - [ -0.0033334200000000, 0.0014275400000000, -0.0069361300000000 ] - [ -0.0015651000000000, -0.0021381600000000, -0.0041730200000000 ] - [ -0.0008215100000000, 0.0009903900000000, -0.0078873700000000 ] - [ -0.0323457200000000, -0.0095289200000000, 0.0030521000000000 ] - [ -0.0031902800000000, -0.0017618000000000, -0.0087841000000000 ] - [ -0.0009358900000000, 0.0015276700000000, -0.0074634000000000 ] - [ 0.0017618400000000, -0.0038218500000000, -0.0060467100000000 ] - [ 0.0038564200000000, 0.0004988400000000, -0.0088774700000000 ] - [ 0.0011158200000000, 0.0003444900000000, -0.0078268200000000 ] - [ 0.0010029800000000, -0.0012502600000000, -0.0080735700000000 ] - [ 0.0017368000000000, 0.0001947700000000, -0.0065623400000000 ] - [ 0.0009606400000000, 0.0002874000000000, -0.0073272800000000 ] - [ -0.0014724100000000, -0.0077852000000000, 0.0013494100000000 ] - [ -0.0020410100000000, -0.0051145400000000, 0.0021678700000000 ] - [ -0.0006660800000000, -0.0053818300000000, 0.0021870100000000 ] - [ -0.0035007100000000, -0.0063568000000000, 0.0026281200000000 ] - [ 0.0005303300000000, 0.0047051500000000, 0.0055517200000000 ] - [ -0.0006693100000000, -0.0045235900000000, 0.0020750200000000 ] - [ -0.0022909400000000, -0.0000910500000000, -0.0046709700000000 ] - [ -0.0034877900000000, 0.0076357200000000, 0.0003131800000000 ] - [ -0.0007980000000000, 0.0052269700000000, 0.0021301800000000 ] - [ -0.0038712500000000, 0.0053429000000000, 0.0027400200000000 ] - [ -0.0011171200000000, 0.0058024600000000, 0.0046108900000000 ] - [ -0.0007607300000000, 0.0056951300000000, 0.0022532400000000 ] - [ 0.0010529400000000, -0.0007880400000000, 0.0059082700000000 ] - [ 0.0006268900000000, -0.0012580000000000, 0.0040786100000000 ] - [ 0.0001233100000000, -0.0012477100000000, 0.0043897100000000 ] - [ 0.0039964800000000, -0.0092455400000000, 0.0003867100000000 ] - [ 0.0040809600000000, 0.0049972900000000, 0.0080227000000000 ] - [ 0.0002598600000000, -0.0013579900000000, 0.0045106200000000 ] - [ 0.0546883200000000, 0.0031879800000000, -0.0117078200000000 ] - [ 0.0006510500000000, 0.0009015100000000, 0.0038376700000000 ] - [ 0.0006499100000000, -0.0001108300000000, 0.0039169400000000 ] - [ 0.0007726100000000, 0.0002636900000000, 0.0042327800000000 ] - [ 0.0006604200000000, 0.0011793200000000, 0.0031479200000000 ] - [ 0.0006595900000000, -0.0002688500000000, 0.0050305900000000 ] - [ -0.0012955500000000, 0.0003556700000000, 0.0003424900000000 ] - [ -0.0002700100000000, 0.0005386600000000, 0.0002256400000000 ] - [ -0.0000923500000000, 0.0005582400000000, 0.0001978000000000 ] - [ -0.0016023700000000, 0.0005652100000000, 0.0001290500000000 ] - [ -0.0010147800000000, 0.0004261300000000, 0.0000347200000000 ] - [ -0.0002627700000000, 0.0004103500000000, 0.0001244000000000 ] - [ -0.0010919500000000, 0.0006203700000000, 0.0030630300000000 ] - [ 0.0001866900000000, -0.0001024300000000, 0.0045524100000000 ] - [ 0.0001869000000000, 0.0014037500000000, 0.0032994600000000 ] - [ 0.0003927600000000, 0.0001109700000000, 0.0045867400000000 ] - [ 0.0001875100000000, 0.0002434600000000, 0.0039909300000000 ] - [ 0.0001873100000000, 0.0007427300000000, 0.0041282600000000 ] - [ 0.0003869800000000, 0.0001225800000000, 0.0044476400000000 ] - [ -0.0011178500000000, -0.0016678300000000, 0.0051334000000000 ] - [ 0.0000058600000000, -0.0009101100000000, 0.0041493700000000 ] - [ 0.0003876100000000, -0.0004555100000000, 0.0041338800000000 ] - [ -0.0011166900000000, 0.0005432100000000, 0.0025081500000000 ] - [ 0.0000067700000000, -0.0014377000000000, 0.0032736200000000 ] - [ 0.0015257900000000, 0.0041910300000000, 0.0036863700000000 ] - [ 0.0009370000000000, 0.0022424500000000, -0.0037312800000000 ] - [ 0.0002711400000000, 0.0021399800000000, -0.0038381500000000 ] - [ -0.0007176500000000, 0.0071211300000000, -0.0094123100000000 ] - [ 0.0015875000000000, -0.0048346000000000, -0.0055836800000000 ] - [ 0.0002682100000000, 0.0018751900000000, -0.0040747200000000 ] - [ -0.0000391300000000, -0.0008163300000000, -0.0002397500000000 ] - [ -0.0029381000000000, 0.0051455300000000, -0.0043832500000000 ] - [ -0.0001187800000000, -0.0004594500000000, 0.0001764600000000 ] - [ -0.0007013900000000, -0.0008549000000000, 0.0004284300000000 ] - [ 0.0000669700000000, -0.0002714500000000, 0.0004235700000000 ] - [ -0.0001625500000000, -0.0005460600000000, 0.0001063400000000 ] - [ 0.0020807800000000, 0.0012725300000000, 0.0038836200000000 ] - [ 0.0029937400000000, 0.0115911900000000, -0.0014735200000000 ] - [ 0.0001997500000000, 0.0010638700000000, 0.0046077200000000 ] - [ 0.0028965400000000, -0.0069128600000000, 0.0170091900000000 ] - [ 0.0008260900000000, 0.0020135100000000, 0.0043330000000000 ] - [ 0.0001219900000000, 0.0007407800000000, 0.0046407000000000 ] - [ 0.0017111900000000, 0.0008059200000000, -0.0061034300000000 ] - [ -0.0023605600000000, -0.0109629600000000, -0.0001237600000000 ] - [ 0.0002430200000000, -0.0022689700000000, -0.0038428000000000 ] - [ 0.0011020500000000, -0.0021666700000000, -0.0033608600000000 ] - [ 0.0006803300000000, -0.0017337200000000, -0.0045093200000000 ] - [ 0.0002123900000000, -0.0022583600000000, -0.0039656300000000 ] - [ -0.0047881200000000, 0.0046059400000000, 0.0060655900000000 ] - [ -0.0002176200000000, -0.0003317000000000, 0.0055091600000000 ] - [ 0.0001771700000000, 0.0009122200000000, 0.0045061800000000 ] - [ -0.0000496300000000, 0.0015378600000000, 0.0034794400000000 ] - [ -0.0000470100000000, 0.0010151600000000, 0.0039365000000000 ] - [ 0.0002218600000000, 0.0008384600000000, 0.0044086700000000 ] - [ 0.0004141300000000, 0.0004354900000000, -0.0000085600000000 ] - [ -0.0004089300000000, 0.0007599400000000, -0.0000424700000000 ] - [ -0.0002238400000000, 0.0004852000000000, 0.0001733400000000 ] - [ -0.0062728200000000, -0.0053889100000000, 0.0084375700000000 ] - [ 0.0001935900000000, 0.0007499900000000, 0.0001056200000000 ] - [ -0.0000804100000000, 0.0003358900000000, 0.0001218000000000 ] - [ -0.0010173000000000, -0.0003047800000000, -0.0001515200000000 ] - [ -0.0017219000000000, -0.0003767000000000, 0.0001649400000000 ] - [ -0.0001817400000000, -0.0005129900000000, 0.0001892200000000 ] - [ -0.0004063100000000, -0.0005193700000000, 0.0002967900000000 ] - [ -0.0008011400000000, -0.0004745900000000, 0.0002028600000000 ] - [ -0.0001009300000000, -0.0005895100000000, 0.0001304200000000 ] - [ 0.0000701800000000, -0.0000730700000000, 0.0052553800000000 ] - [ 0.0003220600000000, -0.0010712700000000, 0.0042337700000000 ] - [ 0.0002222100000000, -0.0010077200000000, 0.0043608300000000 ] - [ 0.0002231300000000, -0.0003936100000000, 0.0040030300000000 ] - [ -0.0027415900000000, -0.0031298600000000, 0.0054260000000000 ] - [ 0.0000856800000000, -0.0011452400000000, 0.0043856100000000 ] - [ 0.0006829600000000, -0.0011408200000000, 0.0032148200000000 ] - [ 0.0040182400000000, -0.0027258400000000, 0.0006397500000000 ] - [ 0.0006455900000000, 0.0005239400000000, 0.0044018200000000 ] - [ 0.0006835200000000, -0.0018028900000000, 0.0031576900000000 ] - [ 0.0040198700000000, 0.0035281600000000, 0.0073370900000000 ] - [ 0.0006422700000000, -0.0008144600000000, 0.0037705100000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001994400000000, 0.0000141500000000, -0.0001250400000000 ] - [ 0.0006953100000000, 0.0010000900000000, 0.0008727300000000 ] - [ 0.0001314600000000, -0.0005829200000000, -0.0000434600000000 ] - [ -0.0011518100000000, -0.0010330100000000, -0.0001437700000000 ] - [ 0.0002627300000000, 0.0022820600000000, -0.0013169400000000 ] - [ 0.0001793500000000, -0.0007384800000000, -0.0002316200000000 ] - [ -0.0004538700000000, 0.0017781200000000, -0.0013839800000000 ] - [ 0.0009363100000000, -0.0010872900000000, -0.0001105400000000 ] - [ -0.0001451700000000, -0.0010190400000000, -0.0002464500000000 ] - [ -0.0008389100000000, 0.0007282500000000, 0.0009689800000000 ] - [ 0.0002286400000000, -0.0001336400000000, -0.0002269500000000 ] - [ -0.0001469000000000, -0.0009404400000000, -0.0000726200000000 ] - [ -0.0000509900000000, -0.0090633100000000, -0.0202281100000000 ] - [ -0.0162187000000000, 0.0233284600000000, -0.0229799800000000 ] - [ -0.0002075400000000, -0.0073837500000000, -0.0081971700000000 ] - [ -0.0008849800000000, -0.0089916700000000, -0.0011726700000000 ] - [ -0.0011069300000000, 0.0079149700000000, -0.0036461300000000 ] - [ -0.0002283400000000, -0.0054043300000000, -0.0087632100000000 ] - [ 0.0016472300000000, 0.0041058500000000, -0.0089512500000000 ] - [ 0.0003241900000000, -0.0003630900000000, -0.0063441000000000 ] - [ 0.0009259300000000, -0.0026550200000000, -0.0074729500000000 ] - [ 0.0026726300000000, 0.0054583900000000, -0.0079932800000000 ] - [ -0.0008085000000000, -0.0017462700000000, -0.0093965000000000 ] - [ 0.0007823700000000, -0.0032792900000000, -0.0074638200000000 ] - [ -0.0007169500000000, 0.0119529700000000, -0.0047288300000000 ] - [ -0.0011870000000000, -0.0047647600000000, 0.0017458600000000 ] - [ -0.0012660800000000, -0.0048634500000000, -0.0071746500000000 ] - [ 0.0155359500000000, 0.0386373000000000, -0.0317240400000000 ] - [ -0.0008974800000000, -0.0114865800000000, -0.0166091000000000 ] - [ -0.0011707500000000, -0.0064788600000000, -0.0067305300000000 ] - [ 0.0015243100000000, -0.0028754900000000, -0.0075698500000000 ] - [ -0.0018383500000000, 0.0058947400000000, -0.0061209400000000 ] - [ 0.0007160700000000, -0.0039940200000000, -0.0079079700000000 ] - [ 0.0012402600000000, -0.0016488300000000, -0.0069809000000000 ] - [ 0.0004524500000000, 0.0032632800000000, -0.0081703300000000 ] - [ 0.0007177800000000, -0.0031761700000000, -0.0079681300000000 ] - [ 0.0008137900000000, -0.0067563500000000, 0.0024440200000000 ] - [ -0.0025688600000000, -0.0028954800000000, 0.0049062200000000 ] - [ -0.0005459000000000, -0.0079556400000000, 0.0028725100000000 ] - [ 0.0068457800000000, -0.0104516700000000, 0.0022605300000000 ] - [ -0.0092076600000000, -0.0025068300000000, -0.0047627900000000 ] - [ -0.0007251300000000, -0.0088387500000000, 0.0021849000000000 ] - [ 0.0014178100000000, 0.0110987000000000, -0.0038422400000000 ] - [ -0.0055839600000000, 0.0001308400000000, 0.0035484900000000 ] - [ 0.0005760400000000, 0.0023173500000000, 0.0016627800000000 ] - [ 0.0041910700000000, 0.0100273800000000, 0.0061087000000000 ] - [ -0.0009880700000000, 0.0050467300000000, 0.0002438800000000 ] - [ 0.0005647400000000, 0.0027018700000000, 0.0021915900000000 ] - [ 0.0004797900000000, -0.0035755500000000, 0.0016872400000000 ] - [ 0.0001487100000000, -0.0036014300000000, 0.0011057500000000 ] - [ -0.0002478100000000, 0.0014001900000000, 0.0056056200000000 ] - [ -0.0007682300000000, 0.0237041200000000, 0.0093816100000000 ] - [ 0.0000753000000000, 0.0318740400000000, 0.0190327800000000 ] - [ -0.0003169000000000, 0.0026719400000000, 0.0062034100000000 ] - [ -0.0020597500000000, -0.1328099400000000, 0.0866187500000000 ] - [ 0.0005257000000000, 0.0053601200000000, 0.0021625900000000 ] - [ -0.0004970600000000, 0.0053348900000000, 0.0030698000000000 ] - [ 0.0001415900000000, -0.0020495100000000, 0.0025494200000000 ] - [ 0.0006744700000000, 0.0031231000000000, 0.0022511900000000 ] - [ -0.0007776100000000, 0.0031267200000000, 0.0018119000000000 ] - [ -0.0003096600000000, -0.0001781800000000, 0.0001186600000000 ] - [ 0.0001229400000000, 0.0007257600000000, -0.0000645000000000 ] - [ 0.0002977500000000, 0.0010074600000000, 0.0001456100000000 ] - [ 0.0004698900000000, -0.0001875100000000, 0.0001905000000000 ] - [ 0.0005672800000000, 0.0007178300000000, 0.0004932100000000 ] - [ 0.0004848700000000, 0.0012611800000000, 0.0001397100000000 ] - [ 0.0002141200000000, -0.0034340100000000, 0.0051258100000000 ] - [ 0.0010070800000000, 0.0023015600000000, 0.0040613300000000 ] - [ -0.0005079600000000, 0.0023075900000000, 0.0035543200000000 ] - [ -0.0002939800000000, -0.0021995500000000, 0.0044575700000000 ] - [ 0.0003417000000000, 0.0018010900000000, 0.0034221100000000 ] - [ -0.0001600600000000, 0.0018045300000000, 0.0032395300000000 ] - [ 0.0000539100000000, 0.0010603700000000, 0.0047445100000000 ] - [ -0.0009506600000000, -0.0044509400000000, 0.0029345200000000 ] - [ 0.0010412200000000, 0.0009548500000000, 0.0039049800000000 ] - [ -0.0005242900000000, 0.0010572700000000, 0.0038686700000000 ] - [ 0.0012685600000000, -0.0044490500000000, 0.0043763100000000 ] - [ 0.0005100400000000, 0.0009533700000000, 0.0050587500000000 ] - [ 0.0007074900000000, 0.0017006200000000, 0.0000645600000000 ] - [ 0.0015305800000000, 0.0016761500000000, -0.0056797700000000 ] - [ -0.0001451000000000, 0.0036314300000000, -0.0035407100000000 ] - [ -0.0077402500000000, 0.0050466600000000, -0.0102399000000000 ] - [ 0.0008232800000000, 0.0063425700000000, -0.0017598100000000 ] - [ -0.0002158500000000, 0.0040460300000000, -0.0035891400000000 ] - [ 0.0012181900000000, -0.0000059400000000, 0.0012252900000000 ] - [ -0.0143959500000000, -0.0022210700000000, -0.0010251700000000 ] - [ -0.0001699200000000, 0.0002827900000000, 0.0001694700000000 ] - [ 0.0012405800000000, 0.0002255900000000, -0.0004311300000000 ] - [ -0.0003178500000000, -0.0016707400000000, -0.0002728100000000 ] - [ -0.0003366100000000, 0.0000120100000000, 0.0002271700000000 ] - [ -0.0003908400000000, -0.0011531400000000, 0.0090584900000000 ] - [ 0.0072683400000000, 0.0224949600000000, -0.0068205400000000 ] - [ 0.0003127600000000, 0.0042472800000000, 0.0030807300000000 ] - [ -0.0058214400000000, 0.0145484700000000, -0.0148327700000000 ] - [ 0.0000723900000000, -0.0021338900000000, 0.0080557000000000 ] - [ 0.0001301100000000, 0.0039402600000000, 0.0030313200000000 ] - [ -0.0016730600000000, -0.0021086500000000, -0.0030141100000000 ] - [ 0.0096016300000000, 0.0054555900000000, -0.0067857900000000 ] - [ 0.0002145400000000, -0.0002463300000000, -0.0042180100000000 ] - [ -0.0014979100000000, -0.0012724000000000, -0.0050806800000000 ] - [ -0.0000199900000000, -0.0034782200000000, -0.0043026200000000 ] - [ 0.0002040800000000, -0.0005580700000000, -0.0042475500000000 ] - [ -0.0031786900000000, 0.0023213700000000, 0.0061907300000000 ] - [ 0.0019277700000000, 0.0002855400000000, 0.0034221800000000 ] - [ -0.0003608800000000, 0.0029728800000000, 0.0037022900000000 ] - [ -0.0013601400000000, 0.0009071300000000, 0.0042782200000000 ] - [ 0.0006768200000000, -0.0002582200000000, 0.0055162100000000 ] - [ -0.0002305000000000, 0.0028112300000000, 0.0036900000000000 ] - [ -0.0000690700000000, -0.0006083900000000, -0.0002215000000000 ] - [ -0.0010048300000000, 0.0011639300000000, -0.0005917800000000 ] - [ -0.0000723300000000, 0.0011469000000000, 0.0001307300000000 ] - [ 0.0171056500000000, -0.0034604300000000, -0.0009397200000000 ] - [ -0.0024518000000000, 0.0013874100000000, 0.0006850400000000 ] - [ -0.0002228500000000, 0.0014693500000000, 0.0001165000000000 ] - [ -0.0001882300000000, -0.0002713900000000, 0.0001965100000000 ] - [ 0.0003772400000000, -0.0013756200000000, 0.0002268400000000 ] - [ -0.0001509100000000, 0.0001121200000000, 0.0001640300000000 ] - [ 0.0002350500000000, -0.0002639600000000, -0.0000346900000000 ] - [ 0.0004627800000000, -0.0012431500000000, 0.0000627700000000 ] - [ 0.0000099400000000, -0.0001225400000000, 0.0001821000000000 ] - [ -0.0004889700000000, -0.0016829500000000, 0.0042302900000000 ] - [ 0.0005692000000000, -0.0019667900000000, 0.0035423300000000 ] - [ 0.0003604900000000, 0.0005785400000000, 0.0051119800000000 ] - [ -0.0013787500000000, -0.0021365900000000, 0.0047184400000000 ] - [ 0.0031057400000000, -0.0001580400000000, 0.0033426900000000 ] - [ 0.0004293800000000, 0.0011036700000000, 0.0054151500000000 ] - [ -0.0014007100000000, 0.0029468700000000, 0.0067874900000000 ] - [ 0.0039780000000000, -0.0123163900000000, -0.0107594800000000 ] - [ -0.0004094500000000, 0.0034968400000000, 0.0041744200000000 ] - [ -0.0007449100000000, 0.0029527900000000, 0.0049727700000000 ] - [ -0.0023175300000000, -0.0122808700000000, -0.0011929900000000 ] - [ 0.0009384300000000, 0.0035074400000000, 0.0073462700000000 ]- atom: 55 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001991100000000, 0.0002644300000000, -0.0001724300000000 ] - [ -0.0006922000000000, -0.0007150700000000, -0.0011613700000000 ] - [ -0.0001305900000000, 0.0008642300000000, -0.0002537900000000 ] - [ 0.0011551600000000, 0.0013152200000000, -0.0001574200000000 ] - [ -0.0002597500000000, -0.0019957800000000, 0.0010093000000000 ] - [ -0.0001758900000000, 0.0010168500000000, -0.0000679100000000 ] - [ 0.0004522700000000, -0.0020530000000000, 0.0010874600000000 ] - [ -0.0009282000000000, 0.0007990900000000, -0.0001849700000000 ] - [ 0.0001464300000000, 0.0007364500000000, -0.0000510100000000 ] - [ 0.0008382100000000, -0.0010090100000000, -0.0012688000000000 ] - [ -0.0002269800000000, -0.0001452300000000, -0.0000745400000000 ] - [ 0.0001466000000000, 0.0006574700000000, -0.0002243600000000 ] - [ -0.0016323400000000, 0.0084264100000000, 0.0049235600000000 ] - [ 0.0138097500000000, -0.0223485300000000, 0.0057593300000000 ] - [ -0.0014637000000000, 0.0067063900000000, -0.0071818300000000 ] - [ -0.0007928500000000, 0.0083023500000000, -0.0142078900000000 ] - [ -0.0005917400000000, -0.0084797500000000, -0.0116575100000000 ] - [ -0.0014399200000000, 0.0047421600000000, -0.0066376800000000 ] - [ 0.0000347000000000, -0.0034470800000000, -0.0064466500000000 ] - [ 0.0013518700000000, 0.0010154900000000, -0.0090417700000000 ] - [ 0.0007500300000000, 0.0032934400000000, -0.0079154200000000 ] - [ -0.0009764400000000, -0.0048129100000000, -0.0073841700000000 ] - [ 0.0024901700000000, 0.0024066600000000, -0.0059919700000000 ] - [ 0.0008889900000000, 0.0039160500000000, -0.0079218400000000 ] - [ -0.0009616400000000, -0.0112697300000000, -0.0106300800000000 ] - [ -0.0004929000000000, 0.0054013100000000, -0.0170810200000000 ] - [ -0.0004072500000000, 0.0055043500000000, -0.0082052600000000 ] - [ -0.0178631900000000, -0.0389402100000000, 0.0184976300000000 ] - [ -0.0008203700000000, 0.0120506300000000, 0.0011423000000000 ] - [ -0.0005010600000000, 0.0071223000000000, -0.0086676000000000 ] - [ 0.0001571700000000, 0.0022043400000000, -0.0078150900000000 ] - [ 0.0035221100000000, -0.0065174700000000, -0.0092830100000000 ] - [ 0.0009580400000000, 0.0033452200000000, -0.0074815100000000 ] - [ 0.0004370100000000, 0.0009863900000000, -0.0084068500000000 ] - [ 0.0012250100000000, -0.0038983300000000, -0.0072131400000000 ] - [ 0.0009551900000000, 0.0025266800000000, -0.0074195300000000 ] - [ -0.0008176700000000, -0.0040731700000000, 0.0019995100000000 ] - [ 0.0025594100000000, -0.0079110300000000, -0.0004515200000000 ] - [ 0.0005386500000000, -0.0028622500000000, 0.0015714700000000 ] - [ -0.0068713000000000, -0.0003836100000000, 0.0021808300000000 ] - [ 0.0093804800000000, -0.0080300500000000, 0.0093050600000000 ] - [ 0.0007119000000000, -0.0019799900000000, 0.0022565800000000 ] - [ -0.0012777500000000, -0.0003793600000000, 0.0081188100000000 ] - [ 0.0055434700000000, 0.0106797100000000, 0.0008899400000000 ] - [ -0.0005849900000000, 0.0084896700000000, 0.0027791300000000 ] - [ -0.0041673500000000, 0.0007758100000000, -0.0016492200000000 ] - [ 0.0009845400000000, 0.0057800300000000, 0.0042080100000000 ] - [ -0.0005687900000000, 0.0081053700000000, 0.0022486800000000 ] - [ -0.0005368800000000, 0.0015109500000000, 0.0072645300000000 ] - [ -0.0002098600000000, 0.0015153400000000, 0.0078234600000000 ] - [ 0.0001873900000000, -0.0034601700000000, 0.0033585500000000 ] - [ 0.0006659400000000, -0.0260767900000000, -0.0004084800000000 ] - [ -0.0001814700000000, -0.0332888900000000, -0.0098119400000000 ] - [ 0.0002570800000000, -0.0047271000000000, 0.0027619200000000 ] - [ 0.0031397400000000, 0.1326666100000000, -0.0789761500000000 ] - [ -0.0007773500000000, -0.0042623000000000, 0.0057705700000000 ] - [ 0.0002435000000000, -0.0042866300000000, 0.0048868400000000 ] - [ -0.0004034100000000, 0.0031128200000000, 0.0053698100000000 ] - [ -0.0009348300000000, -0.0020592400000000, 0.0056999900000000 ] - [ 0.0005144200000000, -0.0020556800000000, 0.0061369800000000 ] - [ 0.0005392900000000, 0.0012763800000000, 0.0001999100000000 ] - [ 0.0001115000000000, 0.0003753300000000, 0.0003815900000000 ] - [ -0.0000579500000000, 0.0000948300000000, 0.0001717300000000 ] - [ -0.0002415700000000, 0.0012863400000000, 0.0001265400000000 ] - [ -0.0003387100000000, 0.0003813600000000, -0.0001754800000000 ] - [ -0.0002523300000000, -0.0001592700000000, 0.0001770500000000 ] - [ 0.0000337100000000, 0.0044835700000000, 0.0028309100000000 ] - [ -0.0007401000000000, -0.0012417100000000, 0.0038964100000000 ] - [ 0.0007703800000000, -0.0012349000000000, 0.0043974700000000 ] - [ 0.0005562400000000, 0.0032539800000000, 0.0034975300000000 ] - [ -0.0000759600000000, -0.0007384400000000, 0.0045303000000000 ] - [ 0.0004250600000000, -0.0007347700000000, 0.0047109500000000 ] - [ 0.0002128900000000, -0.0021123300000000, 0.0032154600000000 ] - [ 0.0012152100000000, 0.0033797400000000, 0.0050165100000000 ] - [ -0.0007755400000000, -0.0020173300000000, 0.0040515800000000 ] - [ 0.0007923000000000, -0.0021141900000000, 0.0040892600000000 ] - [ -0.0010050500000000, 0.0033794700000000, 0.0035772200000000 ] - [ -0.0002443800000000, -0.0020187500000000, 0.0028939900000000 ] - [ -0.0007036400000000, 0.0025475800000000, -0.0078701600000000 ] - [ -0.0015257200000000, 0.0025684600000000, -0.0021541300000000 ] - [ 0.0001459500000000, 0.0006198200000000, -0.0042893800000000 ] - [ 0.0077526700000000, -0.0007544000000000, 0.0024218100000000 ] - [ -0.0008068700000000, -0.0021340900000000, -0.0060765200000000 ] - [ 0.0002189500000000, 0.0002071600000000, -0.0042410600000000 ] - [ -0.0014614500000000, -0.0010902700000000, -0.0009118600000000 ] - [ 0.0139461000000000, 0.0010307900000000, 0.0013715900000000 ] - [ -0.0000707800000000, -0.0013793700000000, 0.0001476700000000 ] - [ -0.0014759600000000, -0.0013224400000000, 0.0007474700000000 ] - [ 0.0000906700000000, 0.0005674300000000, 0.0005851600000000 ] - [ 0.0000949200000000, -0.0011107700000000, 0.0000897200000000 ] - [ 0.0003378900000000, 0.0032163800000000, -0.0001061100000000 ] - [ -0.0072695400000000, -0.0202541100000000, 0.0157524500000000 ] - [ -0.0003713200000000, -0.0021716800000000, 0.0058743500000000 ] - [ 0.0057689200000000, -0.0125313200000000, 0.0237813600000000 ] - [ -0.0001319600000000, 0.0041574000000000, 0.0009390800000000 ] - [ -0.0001893600000000, -0.0018690700000000, 0.0059270100000000 ] - [ 0.0016780700000000, -0.0021099900000000, -0.0048349600000000 ] - [ -0.0095103600000000, -0.0096779100000000, -0.0010703700000000 ] - [ -0.0002103600000000, -0.0039977800000000, -0.0036130600000000 ] - [ 0.0014972300000000, -0.0029651000000000, -0.0027545300000000 ] - [ 0.0000212600000000, -0.0007785500000000, -0.0035334500000000 ] - [ -0.0002003600000000, -0.0036860900000000, -0.0035826400000000 ] - [ 0.0032192600000000, -0.0002433900000000, 0.0027768900000000 ] - [ -0.0018572900000000, 0.0017741600000000, 0.0055355600000000 ] - [ 0.0004245900000000, -0.0009063700000000, 0.0052574000000000 ] - [ 0.0014152300000000, 0.0011648400000000, 0.0046786500000000 ] - [ -0.0006146200000000, 0.0023166300000000, 0.0034460900000000 ] - [ 0.0002940100000000, -0.0007429700000000, 0.0052665500000000 ] - [ -0.0001646200000000, 0.0017051200000000, 0.0005375600000000 ] - [ 0.0007677200000000, -0.0000608300000000, 0.0009040100000000 ] - [ -0.0001665100000000, -0.0000458300000000, 0.0001858600000000 ] - [ -0.0174748400000000, 0.0046557300000000, 0.0011929800000000 ] - [ 0.0021896800000000, -0.0002831200000000, -0.0003654400000000 ] - [ -0.0000148200000000, -0.0003680500000000, 0.0001999600000000 ] - [ 0.0004194200000000, -0.0008257000000000, 0.0001202100000000 ] - [ -0.0001467200000000, 0.0002733500000000, 0.0000927400000000 ] - [ 0.0003836000000000, -0.0012094500000000, 0.0001535400000000 ] - [ -0.0000016300000000, -0.0008344800000000, 0.0003516200000000 ] - [ -0.0002321800000000, 0.0001415700000000, 0.0002534800000000 ] - [ 0.0002251900000000, -0.0009762400000000, 0.0001348200000000 ] - [ 0.0005496000000000, -0.0003770900000000, 0.0047317400000000 ] - [ -0.0005070700000000, -0.0001055200000000, 0.0054102200000000 ] - [ -0.0002960300000000, -0.0026403800000000, 0.0038477100000000 ] - [ 0.0014397900000000, 0.0000800400000000, 0.0042414300000000 ] - [ -0.0030491000000000, -0.0019131200000000, 0.0056176300000000 ] - [ -0.0003647300000000, -0.0031615200000000, 0.0035462900000000 ] - [ 0.0011435500000000, -0.0040094300000000, 0.0011591300000000 ] - [ -0.0041981500000000, 0.0111250200000000, 0.0186367800000000 ] - [ 0.0001482500000000, -0.0045461500000000, 0.0037762200000000 ] - [ 0.0004801000000000, -0.0040033500000000, 0.0029903000000000 ] - [ 0.0020617700000000, 0.0111597100000000, 0.0089472000000000 ] - [ -0.0011790500000000, -0.0045364500000000, 0.0006379800000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001770700000000, -0.0000207300000000, -0.0004780000000000 ] - [ -0.0006633600000000, -0.0001107300000000, -0.0014351700000000 ] - [ -0.0000898000000000, 0.0005763700000000, -0.0002943800000000 ] - [ 0.0010566300000000, 0.0013301200000000, 0.0001676100000000 ] - [ 0.0006307100000000, -0.0016003700000000, 0.0011063500000000 ] - [ -0.0000273000000000, 0.0004337300000000, -0.0000143800000000 ] - [ -0.0005124900000000, -0.0016005400000000, 0.0012987800000000 ] - [ -0.0007377800000000, 0.0007314800000000, 0.0002113300000000 ] - [ 0.0001339400000000, 0.0001811700000000, -0.0000021800000000 ] - [ 0.0010515500000000, -0.0004735900000000, -0.0017081000000000 ] - [ 0.0000139800000000, -0.0003071700000000, -0.0004374000000000 ] - [ 0.0001530000000000, 0.0003125000000000, -0.0002865100000000 ] - [ -0.0022135200000000, 0.0009235300000000, 0.0038359200000000 ] - [ 0.0114288000000000, 0.0010691100000000, 0.0104322700000000 ] - [ -0.0011213000000000, 0.0029454700000000, -0.0057864200000000 ] - [ -0.0009688600000000, 0.0086410400000000, -0.0160086700000000 ] - [ 0.0012615400000000, -0.0103277500000000, -0.0225258300000000 ] - [ -0.0010452800000000, 0.0018112100000000, -0.0086377900000000 ] - [ 0.0023761900000000, 0.0000575800000000, -0.0114728100000000 ] - [ 0.0013592500000000, 0.0011861500000000, -0.0090713100000000 ] - [ 0.0008765100000000, 0.0009651800000000, -0.0083215900000000 ] - [ -0.0007462500000000, -0.0015343000000000, -0.0051194400000000 ] - [ 0.0002270400000000, -0.0005309900000000, -0.0069726400000000 ] - [ 0.0009737600000000, 0.0017163800000000, -0.0071681100000000 ] - [ -0.0037559000000000, -0.0117202700000000, -0.0204789300000000 ] - [ -0.0005171000000000, 0.0053646000000000, -0.0174413800000000 ] - [ -0.0006404800000000, 0.0024437700000000, -0.0087304800000000 ] - [ -0.0259753700000000, -0.0377705200000000, 0.0476320500000000 ] - [ -0.0001259700000000, 0.0020690700000000, -0.0026097900000000 ] - [ -0.0007230500000000, 0.0041563400000000, -0.0072496600000000 ] - [ 0.0012363000000000, -0.0033600300000000, -0.0044664800000000 ] - [ 0.0030769500000000, -0.0005949600000000, -0.0050226500000000 ] - [ 0.0008669600000000, 0.0012981800000000, -0.0069032000000000 ] - [ 0.0005543800000000, 0.0007240200000000, -0.0096511100000000 ] - [ 0.0006696300000000, -0.0019685300000000, -0.0099384100000000 ] - [ 0.0008745700000000, 0.0006083800000000, -0.0083447000000000 ] - [ -0.0005527000000000, -0.0076687000000000, 0.0001192900000000 ] - [ 0.0032344200000000, -0.0042721200000000, -0.0031677900000000 ] - [ 0.0003473600000000, -0.0039424100000000, 0.0014666500000000 ] - [ -0.0054426200000000, -0.0012142700000000, 0.0048186600000000 ] - [ -0.0011852500000000, -0.0114901500000000, 0.0134982400000000 ] - [ 0.0000514900000000, -0.0046414500000000, 0.0028065600000000 ] - [ 0.0068806600000000, -0.0052280600000000, 0.0017262300000000 ] - [ 0.0045141600000000, 0.0093883800000000, 0.0032496900000000 ] - [ -0.0004656600000000, 0.0061872900000000, 0.0026727000000000 ] - [ -0.0061909000000000, 0.0046123100000000, -0.0035882900000000 ] - [ -0.0004115200000000, 0.0048222300000000, 0.0007129500000000 ] - [ -0.0006559500000000, 0.0068887200000000, 0.0019113200000000 ] - [ -0.0000937900000000, 0.0029606100000000, 0.0094568600000000 ] - [ 0.0004789800000000, 0.0015544800000000, 0.0098518700000000 ] - [ 0.0001328900000000, -0.0020093000000000, 0.0043345300000000 ] - [ 0.0031608100000000, -0.0193120800000000, -0.0074251500000000 ] - [ -0.0015406400000000, -0.0033316500000000, -0.0054335800000000 ] - [ 0.0000940200000000, -0.0028663900000000, 0.0032969800000000 ] - [ 0.0163361400000000, 0.0839813600000000, -0.1439665100000000 ] - [ -0.0000768100000000, -0.0003874900000000, 0.0031256400000000 ] - [ 0.0000039100000000, -0.0012736700000000, 0.0031226200000000 ] - [ -0.0003867700000000, -0.0008803500000000, 0.0123911500000000 ] - [ -0.0011886100000000, -0.0016250800000000, 0.0063009100000000 ] - [ 0.0006947400000000, -0.0011975700000000, 0.0063098400000000 ] - [ -0.0005349500000000, 0.0007077200000000, 0.0006441100000000 ] - [ 0.0000547100000000, 0.0003664300000000, 0.0003756100000000 ] - [ 0.0000064700000000, 0.0004168800000000, 0.0002343600000000 ] - [ -0.0005810000000000, 0.0008226400000000, -0.0001340400000000 ] - [ 0.0002824000000000, 0.0007409400000000, 0.0000464700000000 ] - [ -0.0002881700000000, 0.0001289100000000, 0.0000997600000000 ] - [ -0.0007922400000000, 0.0016847300000000, 0.0010583000000000 ] - [ -0.0005455500000000, 0.0001070400000000, 0.0029288500000000 ] - [ 0.0007169600000000, 0.0006149300000000, 0.0029278100000000 ] - [ 0.0007487500000000, 0.0010120800000000, 0.0060033300000000 ] - [ 0.0002901500000000, -0.0002031900000000, 0.0049210500000000 ] - [ 0.0001526700000000, -0.0000217800000000, 0.0049222700000000 ] - [ 0.0002946900000000, -0.0004232800000000, 0.0040813000000000 ] - [ -0.0013414200000000, -0.0009324500000000, 0.0047991200000000 ] - [ -0.0005710700000000, -0.0016170500000000, 0.0039955400000000 ] - [ 0.0006095400000000, -0.0012981600000000, 0.0040806100000000 ] - [ 0.0012918800000000, 0.0005135600000000, 0.0047830300000000 ] - [ 0.0003074800000000, -0.0004629800000000, 0.0039889800000000 ] - [ -0.0000214500000000, 0.0051601500000000, 0.0021283600000000 ] - [ -0.0016194800000000, 0.0019107500000000, -0.0025287900000000 ] - [ 0.0001560200000000, 0.0015460900000000, -0.0039743400000000 ] - [ 0.0080100100000000, -0.0030636400000000, 0.0004987400000000 ] - [ -0.0006252800000000, 0.0050821600000000, -0.0035799200000000 ] - [ 0.0002081000000000, 0.0013301800000000, -0.0040772500000000 ] - [ -0.0004114300000000, -0.0005947900000000, -0.0008787600000000 ] - [ 0.0131432400000000, -0.0018438100000000, 0.0000452600000000 ] - [ -0.0001779900000000, -0.0010004400000000, 0.0000021700000000 ] - [ -0.0012676300000000, -0.0013026100000000, 0.0009609200000000 ] - [ -0.0013179600000000, 0.0001137700000000, 0.0012153000000000 ] - [ -0.0000782000000000, -0.0007811300000000, 0.0002723200000000 ] - [ 0.0009088600000000, 0.0081103800000000, 0.0031556000000000 ] - [ -0.0071752600000000, -0.0202005900000000, 0.0183703800000000 ] - [ -0.0000345600000000, -0.0003190200000000, 0.0050703000000000 ] - [ 0.0063511500000000, -0.0117661900000000, 0.0263621000000000 ] - [ 0.0001813900000000, 0.0049333500000000, 0.0027897800000000 ] - [ -0.0000961400000000, -0.0004596900000000, 0.0052182200000000 ] - [ 0.0022298000000000, 0.0019751600000000, -0.0077648500000000 ] - [ -0.0071842300000000, -0.0089814400000000, -0.0050701800000000 ] - [ -0.0000583000000000, -0.0028166400000000, -0.0042193300000000 ] - [ 0.0013199600000000, -0.0036828100000000, -0.0017096700000000 ] - [ 0.0007392100000000, -0.0016636500000000, -0.0012747200000000 ] - [ -0.0000626800000000, -0.0029448200000000, -0.0034114200000000 ] - [ -0.0047950900000000, 0.0051669600000000, 0.0058334000000000 ] - [ -0.0011914600000000, 0.0009607400000000, 0.0050757200000000 ] - [ 0.0001927100000000, 0.0003696300000000, 0.0047436100000000 ] - [ 0.0016667300000000, 0.0000356200000000, 0.0048412300000000 ] - [ 0.0000842500000000, 0.0013584200000000, 0.0044251600000000 ] - [ 0.0002483300000000, 0.0002970000000000, 0.0047388800000000 ] - [ 0.0009013100000000, 0.0014797400000000, 0.0011659200000000 ] - [ 0.0007583800000000, -0.0000471400000000, 0.0009349500000000 ] - [ -0.0002095100000000, 0.0003174800000000, 0.0002496600000000 ] - [ -0.0198385900000000, 0.0013765000000000, -0.0006448700000000 ] - [ 0.0000812500000000, 0.0004569400000000, -0.0003447300000000 ] - [ 0.0000076100000000, -0.0000099600000000, 0.0000955200000000 ] - [ -0.0005304000000000, -0.0001823900000000, -0.0003985700000000 ] - [ 0.0001375000000000, -0.0003743600000000, -0.0003373900000000 ] - [ 0.0003105300000000, -0.0009221800000000, 0.0000630900000000 ] - [ -0.0001122300000000, -0.0008012200000000, 0.0005126900000000 ] - [ -0.0000874500000000, -0.0001354800000000, 0.0005555800000000 ] - [ 0.0001418600000000, -0.0006972700000000, 0.0002475000000000 ] - [ 0.0000584500000000, 0.0003597700000000, 0.0061141700000000 ] - [ -0.0007469500000000, -0.0006783400000000, 0.0059261600000000 ] - [ -0.0001568100000000, -0.0014589300000000, 0.0045708000000000 ] - [ 0.0009989700000000, -0.0012989900000000, 0.0026806600000000 ] - [ 0.0014703500000000, -0.0004709000000000, 0.0021744900000000 ] - [ -0.0000063800000000, -0.0019504600000000, 0.0038070000000000 ] - [ 0.0006874200000000, -0.0015275200000000, 0.0029737800000000 ] - [ -0.0035576600000000, 0.0045360400000000, 0.0333526000000000 ] - [ 0.0000694800000000, -0.0038880800000000, 0.0033976800000000 ] - [ 0.0006358600000000, -0.0033543800000000, 0.0029692100000000 ] - [ 0.0032532600000000, 0.0142451800000000, 0.0338406600000000 ] - [ -0.0005634700000000, -0.0007396500000000, 0.0033805900000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001757600000000, 0.0003038000000000, 0.0001776100000000 ] - [ 0.0006698700000000, 0.0003894700000000, 0.0011380100000000 ] - [ 0.0000900400000000, -0.0002947300000000, -0.0000050900000000 ] - [ -0.0010509100000000, -0.0010392100000000, -0.0004668900000000 ] - [ -0.0006264600000000, 0.0018694200000000, -0.0014051100000000 ] - [ 0.0000267800000000, -0.0001503500000000, -0.0002855000000000 ] - [ 0.0005149600000000, 0.0013212000000000, -0.0015933400000000 ] - [ 0.0007391400000000, -0.0010169200000000, -0.0005116600000000 ] - [ -0.0001338600000000, -0.0004602200000000, -0.0002957000000000 ] - [ -0.0010415700000000, 0.0001925300000000, 0.0014006500000000 ] - [ -0.0000128200000000, 0.0000231900000000, 0.0001387200000000 ] - [ -0.0001531100000000, -0.0005907700000000, -0.0000118200000000 ] - [ 0.0005280500000000, -0.0015617500000000, -0.0192064500000000 ] - [ -0.0135699100000000, -0.0002375000000000, -0.0265779800000000 ] - [ -0.0005629100000000, -0.0035756600000000, -0.0096122200000000 ] - [ -0.0007193200000000, -0.0092461500000000, 0.0006155700000000 ] - [ -0.0029250600000000, 0.0095815900000000, 0.0071049400000000 ] - [ -0.0006372300000000, -0.0024543300000000, -0.0067392600000000 ] - [ -0.0006775400000000, 0.0005826200000000, -0.0039243900000000 ] - [ 0.0003214000000000, -0.0005384400000000, -0.0063322100000000 ] - [ 0.0008045200000000, -0.0003106800000000, -0.0070700300000000 ] - [ 0.0024517100000000, 0.0021567200000000, -0.0102514100000000 ] - [ 0.0014734400000000, 0.0011954600000000, -0.0084070200000000 ] - [ 0.0007081100000000, -0.0010601000000000, -0.0082202400000000 ] - [ 0.0020875100000000, 0.0125033400000000, 0.0051570400000000 ] - [ -0.0011676700000000, -0.0047455800000000, 0.0020338900000000 ] - [ -0.0010385800000000, -0.0017799900000000, -0.0066648700000000 ] - [ 0.0229964100000000, 0.0355334700000000, -0.0600716000000000 ] - [ -0.0015687300000000, -0.0013568800000000, -0.0127091300000000 ] - [ -0.0009568900000000, -0.0034878200000000, -0.0081347700000000 ] - [ 0.0004455100000000, 0.0027097000000000, -0.0109246800000000 ] - [ -0.0013620200000000, -0.0000548900000000, -0.0103825400000000 ] - [ 0.0008168800000000, -0.0019365500000000, -0.0084888700000000 ] - [ 0.0011267800000000, -0.0013746400000000, -0.0057401600000000 ] - [ 0.0010168000000000, 0.0013188900000000, -0.0054352400000000 ] - [ 0.0008070700000000, -0.0012505500000000, -0.0070414200000000 ] - [ 0.0005383800000000, -0.0031576200000000, 0.0043171100000000 ] - [ -0.0032849800000000, -0.0065682500000000, 0.0076218100000000 ] - [ -0.0003499300000000, -0.0068679400000000, 0.0029742100000000 ] - [ 0.0054304800000000, -0.0096074300000000, -0.0003747000000000 ] - [ 0.0014292900000000, 0.0009046900000000, -0.0088971200000000 ] - [ -0.0000492400000000, -0.0061557000000000, 0.0016375300000000 ] - [ -0.0067149900000000, 0.0159025600000000, 0.0024902400000000 ] - [ -0.0045133400000000, 0.0014529600000000, 0.0011679900000000 ] - [ 0.0004632300000000, 0.0046321000000000, 0.0017695800000000 ] - [ 0.0061444900000000, 0.0062131000000000, 0.0080424200000000 ] - [ 0.0004058100000000, 0.0059871500000000, 0.0037587600000000 ] - [ 0.0006516800000000, 0.0039307800000000, 0.0025324800000000 ] - [ 0.0000459100000000, -0.0050561300000000, -0.0005143800000000 ] - [ -0.0005346000000000, -0.0035969800000000, -0.0008756000000000 ] - [ -0.0001958800000000, -0.0000597600000000, 0.0046229200000000 ] - [ -0.0031768100000000, 0.0171981700000000, 0.0162250700000000 ] - [ 0.0014898300000000, 0.0010686600000000, 0.0143454400000000 ] - [ -0.0001549300000000, 0.0007924100000000, 0.0056578500000000 ] - [ -0.0150094800000000, -0.0816290200000000, 0.1500821200000000 ] - [ -0.0001925800000000, 0.0014250800000000, 0.0048408800000000 ] - [ -0.0002727000000000, 0.0023282400000000, 0.0048383500000000 ] - [ 0.0001338800000000, 0.0019365900000000, -0.0044560700000000 ] - [ 0.0009263300000000, 0.0026957400000000, 0.0016469000000000 ] - [ -0.0009618400000000, 0.0022480300000000, 0.0016551900000000 ] - [ 0.0007478600000000, 0.0003898600000000, -0.0003245400000000 ] - [ 0.0001680800000000, 0.0007318800000000, -0.0000555800000000 ] - [ 0.0002186300000000, 0.0006791500000000, 0.0000838400000000 ] - [ 0.0007877700000000, 0.0002756400000000, 0.0004500300000000 ] - [ -0.0000674500000000, 0.0003563400000000, 0.0002695900000000 ] - [ 0.0005074500000000, 0.0009649000000000, 0.0002173100000000 ] - [ 0.0010393400000000, -0.0006135900000000, 0.0068946100000000 ] - [ 0.0008142000000000, 0.0009460900000000, 0.0050320400000000 ] - [ -0.0004456100000000, 0.0004445500000000, 0.0050312300000000 ] - [ -0.0004779300000000, 0.0000489700000000, 0.0019518000000000 ] - [ -0.0000197100000000, 0.0012626000000000, 0.0030362700000000 ] - [ 0.0001188800000000, 0.0010816900000000, 0.0030370300000000 ] - [ -0.0000241700000000, -0.0006391500000000, 0.0038772800000000 ] - [ 0.0016028100000000, -0.0001304700000000, 0.0031743400000000 ] - [ 0.0008383800000000, 0.0005524100000000, 0.0039671200000000 ] - [ -0.0003374500000000, 0.0002343900000000, 0.0038762700000000 ] - [ -0.0010356400000000, -0.0015625100000000, 0.0031580700000000 ] - [ -0.0000388200000000, -0.0006061600000000, 0.0039602400000000 ] - [ 0.0000291300000000, -0.0008856100000000, -0.0099087100000000 ] - [ 0.0016281400000000, 0.0023503000000000, -0.0052967100000000 ] - [ -0.0001554200000000, 0.0027043900000000, -0.0038589800000000 ] - [ -0.0079729300000000, 0.0073102600000000, -0.0083662600000000 ] - [ 0.0006270200000000, -0.0008817100000000, -0.0042744600000000 ] - [ -0.0002065600000000, 0.0029149600000000, -0.0037603800000000 ] - [ 0.0001865000000000, -0.0005023800000000, 0.0011957700000000 ] - [ -0.0135183600000000, 0.0007277700000000, 0.0003210500000000 ] - [ -0.0000473800000000, -0.0000972200000000, 0.0003173400000000 ] - [ 0.0010404500000000, 0.0002015500000000, -0.0006421500000000 ] - [ 0.0010747700000000, -0.0012074400000000, -0.0008996100000000 ] - [ -0.0001456500000000, -0.0003157000000000, 0.0000431500000000 ] - [ -0.0009624800000000, -0.0060661800000000, 0.0058056700000000 ] - [ 0.0071372300000000, 0.0223163600000000, -0.0095099100000000 ] - [ -0.0000291700000000, 0.0023777700000000, 0.0038947700000000 ] - [ -0.0063655000000000, 0.0138156700000000, -0.0172792000000000 ] - [ -0.0002382400000000, -0.0028159700000000, 0.0061225100000000 ] - [ 0.0000336000000000, 0.0025194300000000, 0.0037419300000000 ] - [ -0.0022263400000000, -0.0062341700000000, -0.0000719500000000 ] - [ 0.0071682200000000, 0.0046910900000000, -0.0027180600000000 ] - [ 0.0000586300000000, -0.0014406100000000, -0.0036121800000000 ] - [ -0.0013128400000000, -0.0005723500000000, -0.0061215900000000 ] - [ -0.0007276900000000, -0.0025772700000000, -0.0065740700000000 ] - [ 0.0000636200000000, -0.0013098700000000, -0.0044230900000000 ] - [ 0.0048696200000000, -0.0031017000000000, 0.0031205100000000 ] - [ 0.0012479500000000, 0.0010980900000000, 0.0038954200000000 ] - [ -0.0001285100000000, 0.0016904900000000, 0.0042198300000000 ] - [ -0.0015992900000000, 0.0020334900000000, 0.0041087100000000 ] - [ -0.0000228300000000, 0.0007105200000000, 0.0045260200000000 ] - [ -0.0001832100000000, 0.0017646200000000, 0.0042203400000000 ] - [ -0.0011368800000000, -0.0003874200000000, -0.0008461800000000 ] - [ -0.0009887800000000, 0.0011486800000000, -0.0006161600000000 ] - [ -0.0000145100000000, 0.0007771900000000, 0.0000684300000000 ] - [ 0.0193226800000000, -0.0002074400000000, 0.0008539400000000 ] - [ -0.0002921300000000, 0.0006355700000000, 0.0006589900000000 ] - [ -0.0002296300000000, 0.0011037100000000, 0.0002211100000000 ] - [ 0.0007513300000000, -0.0009152800000000, 0.0007164800000000 ] - [ 0.0000720100000000, -0.0007207900000000, 0.0006560200000000 ] - [ -0.0000878300000000, -0.0001744100000000, 0.0002554200000000 ] - [ 0.0003315600000000, -0.0002972400000000, -0.0001939000000000 ] - [ 0.0003006800000000, -0.0009594900000000, -0.0002391800000000 ] - [ 0.0000817500000000, -0.0003997600000000, 0.0000691700000000 ] - [ 0.0000037500000000, -0.0024197100000000, 0.0028480100000000 ] - [ 0.0008198800000000, -0.0013800600000000, 0.0030295000000000 ] - [ 0.0002205100000000, -0.0006095200000000, 0.0043867700000000 ] - [ -0.0009355000000000, -0.0007597600000000, 0.0062792300000000 ] - [ -0.0014213600000000, -0.0016032300000000, 0.0067914700000000 ] - [ 0.0000681900000000, -0.0001193400000000, 0.0051508500000000 ] - [ -0.0009499900000000, 0.0004587700000000, 0.0049796900000000 ] - [ 0.0033087600000000, -0.0055983400000000, -0.0259412200000000 ] - [ -0.0003351100000000, 0.0028244900000000, 0.0045728700000000 ] - [ -0.0008984400000000, 0.0022773100000000, 0.0049757500000000 ] - [ -0.0034915600000000, -0.0151468000000000, -0.0254512400000000 ] - [ 0.0002888400000000, -0.0003374100000000, 0.0045556900000000 ]- atom: 61 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007080900000000, 0.0042341000000000, -0.0000376400000000 ] - [ -0.0004724600000000, -0.0022282300000000, -0.0000600900000000 ] - [ 0.0000976500000000, 0.0000289000000000, -0.0001447300000000 ] - [ 0.0002339800000000, 0.0009373700000000, -0.0001682200000000 ] - [ 0.0001972100000000, -0.0004916500000000, -0.0001691300000000 ] - [ 0.0000746400000000, 0.0000711900000000, -0.0001522900000000 ] - [ -0.0008220000000000, -0.0002035200000000, -0.0035141500000000 ] - [ 0.0001379200000000, -0.0006929200000000, -0.0005836700000000 ] - [ 0.0001394600000000, 0.0001680700000000, -0.0004278500000000 ] - [ -0.0008571900000000, -0.0001797700000000, 0.0033820300000000 ] - [ 0.0001384800000000, -0.0006815100000000, 0.0002904000000000 ] - [ 0.0001576000000000, 0.0001483400000000, 0.0001284800000000 ] - [ -0.0040231100000000, -0.0004193800000000, -0.0070440200000000 ] - [ -0.0040943700000000, -0.0003508000000000, -0.0079559900000000 ] - [ -0.0011788100000000, -0.0006368900000000, -0.0078347300000000 ] - [ -0.0042533500000000, -0.0000439800000000, -0.0076099200000000 ] - [ -0.0042432300000000, -0.0009724900000000, -0.0072133400000000 ] - [ -0.0012092500000000, -0.0006826400000000, -0.0074459600000000 ] - [ 0.3332681900000000, 0.0286996600000000, -0.0180660800000000 ] - [ 0.0025915000000000, 0.0008600800000000, -0.0078157700000000 ] - [ 0.0026595900000000, -0.0014624800000000, -0.0070580600000000 ] - [ 0.0039493800000000, 0.0007871700000000, -0.0077373300000000 ] - [ 0.0013578800000000, 0.0009515200000000, -0.0080489900000000 ] - [ 0.0015854900000000, -0.0007780400000000, -0.0077194600000000 ] - [ -0.0161165100000000, 0.0030356900000000, -0.0080563700000000 ] - [ -0.0031044900000000, -0.0001221400000000, -0.0074387400000000 ] - [ -0.0027340100000000, 0.0000630500000000, -0.0075275500000000 ] - [ -0.0044613700000000, 0.0008644200000000, -0.0074487400000000 ] - [ -0.0014495100000000, -0.0001281300000000, -0.0075484500000000 ] - [ -0.0013471100000000, 0.0003383400000000, -0.0076548900000000 ] - [ 0.0042217500000000, -0.0064373600000000, -0.0040937700000000 ] - [ 0.0071034800000000, 0.0033722700000000, -0.0026296000000000 ] - [ 0.0011808600000000, -0.0006017900000000, -0.0077781000000000 ] - [ 0.0036221400000000, -0.0043651700000000, -0.0152494600000000 ] - [ 0.0071133100000000, 0.0066603200000000, -0.0115599800000000 ] - [ 0.0012005400000000, -0.0006120200000000, -0.0076018800000000 ] - [ -0.0054743200000000, -0.0115507900000000, 0.0013617600000000 ] - [ -0.0037332000000000, -0.0012906900000000, 0.0018190800000000 ] - [ -0.0004198600000000, -0.0055802900000000, 0.0022000700000000 ] - [ -0.0010175100000000, -0.0056229900000000, 0.0025877400000000 ] - [ -0.0010178200000000, -0.0052189900000000, 0.0022200800000000 ] - [ -0.0003471400000000, -0.0055797600000000, 0.0022010800000000 ] - [ -0.0045123200000000, 0.0064548200000000, 0.0080219200000000 ] - [ -0.0007111700000000, 0.0055263500000000, 0.0023143900000000 ] - [ -0.0006214800000000, 0.0048214800000000, 0.0022502600000000 ] - [ -0.0033324100000000, 0.0049654900000000, -0.0011930400000000 ] - [ -0.0007725700000000, 0.0057498100000000, 0.0022044800000000 ] - [ -0.0007072000000000, 0.0047648700000000, 0.0019979000000000 ] - [ 0.0027863100000000, -0.0024055300000000, 0.0048301400000000 ] - [ 0.0013145300000000, -0.0013300600000000, 0.0048363800000000 ] - [ 0.0001792800000000, -0.0011191400000000, 0.0043946800000000 ] - [ 0.0007436400000000, -0.0016836700000000, 0.0042253200000000 ] - [ 0.0004056600000000, -0.0009271800000000, 0.0048078100000000 ] - [ 0.0001102800000000, -0.0009858400000000, 0.0045778700000000 ] - [ 0.0012886800000000, 0.0001002500000000, 0.0033372100000000 ] - [ 0.0000882100000000, 0.0007008500000000, 0.0038726100000000 ] - [ 0.0002653800000000, 0.0005289800000000, 0.0039228200000000 ] - [ 0.0015943500000000, 0.0008855700000000, 0.0032884800000000 ] - [ 0.0002524700000000, 0.0008927400000000, 0.0035806700000000 ] - [ 0.0010106500000000, 0.0009748400000000, 0.0041534700000000 ] - [ -0.3637974600000000, -0.0356866600000000, 0.0078670800000000 ] - [ -0.0015153200000000, 0.0012180100000000, 0.0001839900000000 ] - [ -0.0015140700000000, -0.0002094100000000, 0.0001494200000000 ] - [ -0.0027366500000000, 0.0004744300000000, 0.0002095000000000 ] - [ -0.0005080900000000, 0.0005835300000000, 0.0001723200000000 ] - [ -0.0005084600000000, 0.0004587300000000, 0.0001775500000000 ] - [ -0.0003979600000000, 0.0004783500000000, 0.0029588700000000 ] - [ 0.0002327500000000, 0.0004761900000000, 0.0040777000000000 ] - [ 0.0004170100000000, 0.0014115900000000, 0.0031049600000000 ] - [ 0.0062600500000000, -0.0166629300000000, 0.0234357000000000 ] - [ 0.0000918200000000, 0.0006263300000000, 0.0038613900000000 ] - [ -0.0001873000000000, 0.0028385200000000, 0.0037922400000000 ] - [ 0.0000544800000000, 0.0008170200000000, 0.0042798000000000 ] - [ 0.0029426000000000, -0.0146103600000000, -0.0092864700000000 ] - [ 0.0001275900000000, -0.0005754600000000, 0.0040428800000000 ] - [ 0.0007116600000000, 0.0008303100000000, 0.0051293000000000 ] - [ -0.0000567800000000, -0.0007274900000000, 0.0051729000000000 ] - [ 0.0001706900000000, -0.0007406900000000, 0.0039441400000000 ] - [ 0.0212349900000000, 0.0065390200000000, -0.0072974000000000 ] - [ 0.0002127700000000, 0.0011390100000000, -0.0041481200000000 ] - [ 0.0002597800000000, 0.0024435800000000, -0.0038958100000000 ] - [ 0.0004217700000000, 0.0021595900000000, -0.0031599600000000 ] - [ 0.0003477200000000, 0.0020736800000000, -0.0038922500000000 ] - [ 0.0002266600000000, 0.0023485700000000, -0.0038233500000000 ] - [ 0.0021649100000000, -0.0010661600000000, 0.0006487500000000 ] - [ 0.0024785800000000, 0.0003409100000000, 0.0009563400000000 ] - [ 0.0001139400000000, -0.0004348100000000, 0.0001885300000000 ] - [ 0.0021645200000000, -0.0010768600000000, -0.0003950300000000 ] - [ 0.0024783200000000, 0.0003455900000000, -0.0006072000000000 ] - [ 0.0001143600000000, -0.0004332000000000, 0.0001132500000000 ] - [ 0.0029783700000000, 0.0014886200000000, 0.0043219500000000 ] - [ 0.0005082100000000, 0.0014171000000000, 0.0044503900000000 ] - [ 0.0002296000000000, 0.0012209500000000, 0.0045848800000000 ] - [ 0.0013334900000000, 0.0010849700000000, 0.0049821400000000 ] - [ 0.0004635300000000, 0.0016172300000000, 0.0042167500000000 ] - [ 0.0002374600000000, 0.0012662800000000, 0.0044655700000000 ] - [ 0.0009076600000000, -0.0009913400000000, -0.0047972300000000 ] - [ 0.0006011000000000, -0.0024839500000000, -0.0042158200000000 ] - [ 0.0001329800000000, -0.0019371700000000, -0.0039295600000000 ] - [ 0.0016678100000000, -0.0018197700000000, -0.0026309300000000 ] - [ 0.0008128500000000, -0.0029719100000000, -0.0032067500000000 ] - [ 0.0001425200000000, -0.0019350700000000, -0.0040015900000000 ] - [ 0.0006979500000000, 0.0118792900000000, -0.0109536100000000 ] - [ -0.0001658900000000, -0.0000129100000000, 0.0047044600000000 ] - [ 0.0000334800000000, 0.0014750800000000, 0.0042667700000000 ] - [ -0.0003317500000000, 0.0002242000000000, 0.0057577800000000 ] - [ 0.0005043200000000, -0.0006218100000000, 0.0052418700000000 ] - [ 0.0000432800000000, 0.0013618200000000, 0.0043114800000000 ] - [ 0.0142169700000000, 0.0000994800000000, 0.0001492400000000 ] - [ 0.0016063700000000, 0.0015816600000000, 0.0001340100000000 ] - [ 0.0016077200000000, -0.0007011000000000, 0.0001849400000000 ] - [ 0.0029211400000000, 0.0005498300000000, 0.0001918600000000 ] - [ 0.0002092000000000, 0.0006612300000000, 0.0001448900000000 ] - [ 0.0002108000000000, 0.0004010500000000, 0.0001577000000000 ] - [ -0.0035268200000000, -0.0008325300000000, 0.0008420600000000 ] - [ -0.0047058200000000, 0.0011010700000000, 0.0016970400000000 ] - [ -0.0002676900000000, -0.0004393700000000, 0.0001936200000000 ] - [ -0.0035221100000000, -0.0010495200000000, 0.0000451000000000 ] - [ -0.0047033500000000, 0.0009773900000000, -0.0013110200000000 ] - [ -0.0002677500000000, -0.0004375200000000, 0.0001406000000000 ] - [ 0.0020300700000000, 0.0203498400000000, 0.0187002300000000 ] - [ -0.0005482000000000, -0.0024628000000000, 0.0038421300000000 ] - [ 0.0000721700000000, -0.0006014800000000, 0.0045446300000000 ] - [ -0.0000698500000000, -0.0014214900000000, 0.0033507200000000 ] - [ 0.0003106700000000, -0.0017327900000000, 0.0035379100000000 ] - [ 0.0001076400000000, -0.0006976300000000, 0.0046254500000000 ] - [ 0.0010125400000000, -0.0002211700000000, 0.0033374700000000 ] - [ 0.0017185400000000, -0.0007787500000000, 0.0040162500000000 ] - [ 0.0001728500000000, -0.0002577900000000, 0.0041777200000000 ] - [ 0.0003994400000000, -0.0006418500000000, 0.0037559700000000 ] - [ 0.0007918500000000, -0.0008703000000000, 0.0037848100000000 ] - [ 0.0000931200000000, -0.0004166800000000, 0.0040079800000000 ]- atom: 61 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0007478400000000, -0.0040020600000000, -0.0002640700000000 ] - [ 0.0005385000000000, 0.0025986000000000, -0.0002392400000000 ] - [ -0.0000978400000000, 0.0002533000000000, -0.0001539800000000 ] - [ -0.0002331400000000, -0.0006555600000000, -0.0001323800000000 ] - [ -0.0001948000000000, 0.0007741600000000, -0.0001309000000000 ] - [ -0.0000744900000000, 0.0002108000000000, -0.0001476200000000 ] - [ 0.0008754400000000, -0.0000870700000000, 0.0032772800000000 ] - [ -0.0001367900000000, 0.0004119500000000, 0.0002854700000000 ] - [ -0.0001393600000000, -0.0004502500000000, 0.0001305100000000 ] - [ 0.0009022000000000, -0.0001083100000000, -0.0037350000000000 ] - [ -0.0001377500000000, 0.0004014000000000, -0.0005909200000000 ] - [ -0.0001584900000000, -0.0004299500000000, -0.0004272200000000 ] - [ 0.0023568200000000, -0.0002166000000000, -0.0083549200000000 ] - [ 0.0024325700000000, -0.0003066500000000, -0.0074413400000000 ] - [ -0.0004921800000000, -0.0000103700000000, -0.0075548800000000 ] - [ 0.0025884500000000, -0.0005991700000000, -0.0077678000000000 ] - [ 0.0025834800000000, 0.0003138500000000, -0.0081719000000000 ] - [ -0.0004615300000000, 0.0000351900000000, -0.0079443000000000 ] - [ -0.3528589500000000, -0.0304331000000000, 0.0033508400000000 ] - [ -0.0009251800000000, -0.0001964800000000, -0.0075732300000000 ] - [ -0.0009980500000000, 0.0021163100000000, -0.0083378700000000 ] - [ -0.0022892900000000, -0.0001411500000000, -0.0076522400000000 ] - [ 0.0003088000000000, -0.0002982000000000, -0.0073397400000000 ] - [ 0.0000820100000000, 0.0014296200000000, -0.0076687000000000 ] - [ 0.0144891800000000, -0.0024012700000000, -0.0073317100000000 ] - [ 0.0014331600000000, 0.0007725100000000, -0.0079515600000000 ] - [ 0.0010703500000000, 0.0005922400000000, -0.0078642000000000 ] - [ 0.0027961800000000, -0.0002196000000000, -0.0079419900000000 ] - [ -0.0002198100000000, 0.0007785800000000, -0.0078423400000000 ] - [ -0.0003210500000000, 0.0003140100000000, -0.0077355500000000 ] - [ -0.0025713000000000, 0.0057779300000000, -0.0112921600000000 ] - [ -0.0054913900000000, -0.0040125900000000, -0.0127561500000000 ] - [ 0.0004910100000000, -0.0000439900000000, -0.0076110900000000 ] - [ -0.0019688000000000, 0.0037158000000000, -0.0001169000000000 ] - [ -0.0055034000000000, -0.0073298400000000, -0.0038365200000000 ] - [ 0.0004707700000000, -0.0000333500000000, -0.0077884900000000 ] - [ 0.0054747200000000, 0.0007927400000000, 0.0030950700000000 ] - [ 0.0037297100000000, -0.0095441800000000, 0.0026219500000000 ] - [ 0.0004192600000000, -0.0052264600000000, 0.0022413200000000 ] - [ 0.0010151100000000, -0.0051851400000000, 0.0018541900000000 ] - [ 0.0010146600000000, -0.0055913100000000, 0.0022223400000000 ] - [ 0.0003466500000000, -0.0052275300000000, 0.0022412100000000 ] - [ 0.0045025400000000, 0.0043466700000000, -0.0036368100000000 ] - [ 0.0007075300000000, 0.0052851900000000, 0.0021279000000000 ] - [ 0.0006199700000000, 0.0059895700000000, 0.0021896800000000 ] - [ 0.0033331500000000, 0.0058458500000000, 0.0056549800000000 ] - [ 0.0007714000000000, 0.0050609300000000, 0.0022365900000000 ] - [ 0.0007072700000000, 0.0060472800000000, 0.0024445900000000 ] - [ -0.0028575000000000, 0.0003235300000000, 0.0041133500000000 ] - [ -0.0013765400000000, -0.0007362000000000, 0.0041241400000000 ] - [ -0.0002407500000000, -0.0009477800000000, 0.0045669100000000 ] - [ -0.0008049400000000, -0.0003828500000000, 0.0047384000000000 ] - [ -0.0004658900000000, -0.0011393300000000, 0.0041538200000000 ] - [ -0.0001714800000000, -0.0010812600000000, 0.0043832200000000 ] - [ -0.0015570400000000, 0.0009629300000000, 0.0046201900000000 ] - [ -0.0003555200000000, 0.0003591200000000, 0.0040836400000000 ] - [ -0.0005324600000000, 0.0005293500000000, 0.0040373000000000 ] - [ -0.0018625400000000, 0.0001888800000000, 0.0046552100000000 ] - [ -0.0005194800000000, 0.0001683300000000, 0.0043756900000000 ] - [ -0.0012820000000000, 0.0000802800000000, 0.0038041300000000 ] - [ 0.3850463700000000, 0.0391707000000000, -0.0081315700000000 ] - [ 0.0017469400000000, -0.0001213300000000, 0.0001353200000000 ] - [ 0.0017477400000000, 0.0013105600000000, 0.0001694600000000 ] - [ 0.0029740800000000, 0.0006254100000000, 0.0001079500000000 ] - [ 0.0007385500000000, 0.0005145800000000, 0.0001453900000000 ] - [ 0.0007394800000000, 0.0006404100000000, 0.0001395600000000 ] - [ 0.0006736000000000, 0.0005858200000000, 0.0049966900000000 ] - [ 0.0000372800000000, 0.0005821800000000, 0.0038809400000000 ] - [ -0.0001485700000000, -0.0003497600000000, 0.0048534800000000 ] - [ -0.0059667200000000, 0.0179370100000000, -0.0157277800000000 ] - [ 0.0001781600000000, 0.0004302900000000, 0.0040983400000000 ] - [ 0.0004601400000000, -0.0017902000000000, 0.0041659800000000 ] - [ 0.0002170800000000, -0.0018784100000000, 0.0036799400000000 ] - [ -0.0026277300000000, 0.0137178700000000, 0.0173755100000000 ] - [ 0.0001414900000000, -0.0004889700000000, 0.0039123600000000 ] - [ -0.0004468000000000, -0.0018983600000000, 0.0028221800000000 ] - [ 0.0003286700000000, -0.0003316400000000, 0.0027803200000000 ] - [ 0.0000977400000000, -0.0003215600000000, 0.0040113600000000 ] - [ -0.0215642800000000, -0.0023634500000000, -0.0004875300000000 ] - [ -0.0002092900000000, 0.0031147900000000, -0.0036851800000000 ] - [ -0.0002597000000000, 0.0018076000000000, -0.0039377100000000 ] - [ -0.0004194400000000, 0.0020914700000000, -0.0046774100000000 ] - [ -0.0003458300000000, 0.0021781100000000, -0.0039442000000000 ] - [ -0.0002261200000000, 0.0019015500000000, -0.0040135300000000 ] - [ -0.0024055600000000, -0.0000329400000000, -0.0003316500000000 ] - [ -0.0027166000000000, -0.0014420400000000, -0.0006384700000000 ] - [ -0.0003482600000000, -0.0006644500000000, 0.0001300900000000 ] - [ -0.0024039900000000, -0.0000210200000000, 0.0007130000000000 ] - [ -0.0027164200000000, -0.0014467100000000, 0.0009252900000000 ] - [ -0.0003462000000000, -0.0006660300000000, 0.0002038400000000 ] - [ -0.0030515600000000, 0.0005658400000000, 0.0046646400000000 ] - [ -0.0005693300000000, 0.0006495000000000, 0.0045127500000000 ] - [ -0.0002909800000000, 0.0008456400000000, 0.0043774500000000 ] - [ -0.0013961200000000, 0.0009844000000000, 0.0039766000000000 ] - [ -0.0005251600000000, 0.0004493600000000, 0.0047440000000000 ] - [ -0.0002994700000000, 0.0007996900000000, 0.0044951400000000 ] - [ -0.0009005000000000, -0.0032609700000000, -0.0030393700000000 ] - [ -0.0005984300000000, -0.0017684100000000, -0.0036198600000000 ] - [ -0.0001323500000000, -0.0023156800000000, -0.0039051400000000 ] - [ -0.0016652400000000, -0.0024309800000000, -0.0052104400000000 ] - [ -0.0008099200000000, -0.0012785300000000, -0.0046287700000000 ] - [ -0.0001418300000000, -0.0023187200000000, -0.0038334200000000 ] - [ -0.0005212400000000, -0.0098898000000000, 0.0200627600000000 ] - [ 0.0002321600000000, 0.0020774700000000, 0.0042567400000000 ] - [ 0.0000283800000000, 0.0005908700000000, 0.0046954700000000 ] - [ 0.0004004500000000, 0.0018525300000000, 0.0031997900000000 ] - [ -0.0004452800000000, 0.0026948200000000, 0.0037170200000000 ] - [ 0.0000195200000000, 0.0007039400000000, 0.0046489000000000 ] - [ -0.0144003100000000, 0.0010036400000000, 0.0001715100000000 ] - [ -0.0018415000000000, -0.0004821100000000, 0.0001840500000000 ] - [ -0.0018393000000000, 0.0018016900000000, 0.0001335800000000 ] - [ -0.0031598800000000, 0.0005500300000000, 0.0001255000000000 ] - [ -0.0004433900000000, 0.0004374200000000, 0.0001724900000000 ] - [ -0.0004409400000000, 0.0006977100000000, 0.0001593700000000 ] - [ 0.0037736400000000, -0.0002604400000000, -0.0005306300000000 ] - [ 0.0049744500000000, -0.0022216900000000, -0.0014006000000000 ] - [ 0.0005011100000000, -0.0006597800000000, 0.0001244100000000 ] - [ 0.0037733500000000, -0.0000438600000000, 0.0002755700000000 ] - [ 0.0049728800000000, -0.0020966800000000, 0.0016486400000000 ] - [ 0.0005001100000000, -0.0006617700000000, 0.0001769800000000 ] - [ -0.0018395100000000, -0.0226582300000000, -0.0099049500000000 ] - [ 0.0006199000000000, 0.0003912800000000, 0.0051229600000000 ] - [ -0.0000104300000000, -0.0014673500000000, 0.0044163800000000 ] - [ 0.0001337200000000, -0.0006423700000000, 0.0056134200000000 ] - [ -0.0002500600000000, -0.0003336500000000, 0.0054229300000000 ] - [ -0.0000461800000000, -0.0013698600000000, 0.0043350600000000 ] - [ -0.0012798100000000, -0.0008432600000000, 0.0046186200000000 ] - [ -0.0019873300000000, -0.0002663900000000, 0.0039532800000000 ] - [ -0.0004394900000000, -0.0008033300000000, 0.0037802300000000 ] - [ -0.0006665800000000, -0.0004212600000000, 0.0041978600000000 ] - [ -0.0010611400000000, -0.0001874500000000, 0.0041725500000000 ] - [ -0.0003612700000000, -0.0006440600000000, 0.0039483300000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002895000000000, 0.0004026200000000, -0.0001581800000000 ] - [ 0.0015902900000000, 0.0041531900000000, -0.0001268700000000 ] - [ -0.0000003400000000, -0.0002917000000000, -0.0001428200000000 ] - [ 0.0000944500000000, 0.0002356100000000, -0.0001611000000000 ] - [ -0.0001064800000000, 0.0003325900000000, -0.0001658500000000 ] - [ 0.0000000600000000, -0.0001153600000000, -0.0001489500000000 ] - [ -0.0003032900000000, 0.0013400200000000, -0.0005384100000000 ] - [ -0.0000556200000000, -0.0006558300000000, -0.0005251300000000 ] - [ 0.0000490800000000, -0.0005089100000000, 0.0000632600000000 ] - [ -0.0001746100000000, 0.0012775100000000, 0.0001592900000000 ] - [ -0.0000449400000000, -0.0006425200000000, 0.0002260300000000 ] - [ 0.0000586400000000, -0.0005274100000000, -0.0003665300000000 ] - [ -0.0003940800000000, 0.0001241600000000, -0.0072083500000000 ] - [ -0.0017702600000000, 0.0004906700000000, -0.0080330200000000 ] - [ -0.0008837800000000, -0.0014471800000000, -0.0077922500000000 ] - [ -0.0006139500000000, 0.0001716300000000, -0.0081624300000000 ] - [ -0.0018097800000000, 0.0003300500000000, -0.0071468700000000 ] - [ -0.0008825100000000, -0.0014534000000000, -0.0077782400000000 ] - [ 0.0335194900000000, 0.0266398300000000, -0.0094254700000000 ] - [ 0.0020337400000000, -0.0016132600000000, -0.0076543100000000 ] - [ 0.0001719500000000, -0.0013982700000000, -0.0074052100000000 ] - [ 0.0006805500000000, 0.0024733500000000, -0.0081970400000000 ] - [ 0.0011365100000000, -0.0006859900000000, -0.0075891300000000 ] - [ 0.0008078600000000, -0.0008230200000000, -0.0076395800000000 ] - [ -0.0013997300000000, 0.0023422300000000, -0.0078126500000000 ] - [ -0.0022288300000000, -0.0005708000000000, -0.0076961800000000 ] - [ 0.0000293500000000, -0.0008093300000000, -0.0076389900000000 ] - [ -0.0007681500000000, 0.0014247100000000, -0.0076430600000000 ] - [ -0.0010268400000000, -0.0002478600000000, -0.0075975100000000 ] - [ -0.0007756300000000, -0.0003217800000000, -0.0076965600000000 ] - [ -0.0002667500000000, -0.0021164000000000, -0.0054345200000000 ] - [ 0.0027266800000000, -0.0011645900000000, -0.0103283200000000 ] - [ 0.0008470500000000, -0.0016768000000000, -0.0078615500000000 ] - [ 0.0000723300000000, -0.0021214700000000, -0.0121246900000000 ] - [ 0.0032422800000000, -0.0002422700000000, -0.0056041400000000 ] - [ 0.0008406900000000, -0.0017215400000000, -0.0077817000000000 ] - [ -0.0027237200000000, -0.0062557200000000, 0.0029851800000000 ] - [ 0.0009092000000000, -0.0051067200000000, 0.0023718200000000 ] - [ 0.0000082800000000, -0.0063154600000000, 0.0022865100000000 ] - [ -0.0002666800000000, -0.0051086600000000, 0.0022207200000000 ] - [ 0.0002716500000000, -0.0050086800000000, 0.0020874700000000 ] - [ -0.0000086200000000, -0.0060311100000000, 0.0022815600000000 ] - [ -0.0009736800000000, 0.0078983000000000, 0.0026643400000000 ] - [ 0.0002913900000000, 0.0048163600000000, 0.0020094400000000 ] - [ -0.0001685500000000, 0.0047831500000000, 0.0023654200000000 ] - [ -0.0001459500000000, 0.0073616700000000, 0.0023840200000000 ] - [ 0.0002019400000000, 0.0048427700000000, 0.0023778000000000 ] - [ -0.0002035200000000, 0.0046987800000000, 0.0019740100000000 ] - [ 0.0002756000000000, -0.0019192800000000, 0.0043015200000000 ] - [ 0.0001847800000000, -0.0010436500000000, 0.0043291400000000 ] - [ -0.0001575600000000, -0.0002687300000000, 0.0048730700000000 ] - [ 0.0000699600000000, -0.0015546700000000, 0.0041527300000000 ] - [ -0.0000665400000000, -0.0009627100000000, 0.0046163700000000 ] - [ -0.0000676600000000, -0.0005925400000000, 0.0046901500000000 ] - [ 0.0000687200000000, -0.0002008500000000, 0.0041342300000000 ] - [ -0.0001364900000000, 0.0009881400000000, 0.0038428200000000 ] - [ -0.0001177000000000, 0.0007083800000000, 0.0037906100000000 ] - [ -0.0001427300000000, -0.0002157600000000, 0.0042550700000000 ] - [ 0.0000119200000000, 0.0012424200000000, 0.0035556100000000 ] - [ -0.0000012900000000, 0.0007038100000000, 0.0041656200000000 ] - [ -0.0380947900000000, -0.0320314400000000, 0.0012769200000000 ] - [ -0.0006382100000000, 0.0012666500000000, 0.0001453600000000 ] - [ 0.0007935900000000, 0.0012606000000000, 0.0001266600000000 ] - [ 0.0000496100000000, 0.0002764700000000, 0.0001914500000000 ] - [ 0.0000327200000000, 0.0006929700000000, 0.0001427700000000 ] - [ 0.0001565500000000, 0.0006932000000000, 0.0001661700000000 ] - [ 0.0000123600000000, -0.0006316600000000, 0.0049093300000000 ] - [ 0.0000648000000000, 0.0011279400000000, 0.0037446000000000 ] - [ 0.0003399100000000, 0.0011451400000000, 0.0033746800000000 ] - [ -0.0057645800000000, -0.0035775900000000, 0.0047875000000000 ] - [ -0.0000864100000000, 0.0014514500000000, 0.0034153600000000 ] - [ 0.0003269100000000, 0.0013720500000000, 0.0038846700000000 ] - [ 0.0003947900000000, 0.0000189000000000, 0.0040248900000000 ] - [ -0.0055527700000000, -0.0021815300000000, 0.0052599800000000 ] - [ 0.0000380000000000, 0.0003031500000000, 0.0044297100000000 ] - [ 0.0004352900000000, 0.0002447300000000, 0.0047268200000000 ] - [ -0.0001505700000000, -0.0016513800000000, 0.0033154500000000 ] - [ 0.0001246900000000, 0.0000307600000000, 0.0042070000000000 ] - [ 0.0006038400000000, 0.0026377000000000, -0.0043349400000000 ] - [ -0.0001424200000000, 0.0022096600000000, -0.0038171300000000 ] - [ 0.0000442200000000, 0.0026459400000000, -0.0038966300000000 ] - [ 0.0000979800000000, 0.0016304100000000, -0.0041747900000000 ] - [ -0.0000772300000000, 0.0022228100000000, -0.0039500200000000 ] - [ 0.0000666100000000, 0.0024651600000000, -0.0037910900000000 ] - [ -0.0006462500000000, -0.0006411300000000, -0.0002779900000000 ] - [ 0.0007760400000000, -0.0007457700000000, 0.0007939600000000 ] - [ -0.0000092500000000, -0.0002948600000000, 0.0001744100000000 ] - [ -0.0006344300000000, -0.0006416500000000, 0.0005912400000000 ] - [ 0.0007685800000000, -0.0007460500000000, -0.0004716400000000 ] - [ -0.0000117000000000, -0.0002951000000000, 0.0001555500000000 ] - [ 0.0001006000000000, 0.0005544500000000, 0.0047333900000000 ] - [ 0.0000533100000000, 0.0009842500000000, 0.0046309400000000 ] - [ 0.0000222100000000, 0.0017089000000000, 0.0040758400000000 ] - [ -0.0002113800000000, 0.0002727600000000, 0.0047881300000000 ] - [ -0.0000288900000000, 0.0012203900000000, 0.0042720500000000 ] - [ 0.0000857600000000, 0.0015127200000000, 0.0043233200000000 ] - [ 0.0005355800000000, -0.0024375700000000, -0.0042414300000000 ] - [ -0.0003499100000000, -0.0020367600000000, -0.0036123400000000 ] - [ 0.0000048600000000, -0.0016882800000000, -0.0039912500000000 ] - [ 0.0012888500000000, -0.0023985500000000, -0.0029168000000000 ] - [ -0.0002599100000000, -0.0019716400000000, -0.0041690000000000 ] - [ 0.0000012400000000, -0.0016945100000000, -0.0039834400000000 ] - [ 0.0050742000000000, 0.0016398200000000, 0.0002345900000000 ] - [ -0.0003423200000000, 0.0016357800000000, 0.0044546000000000 ] - [ 0.0000249600000000, 0.0018103300000000, 0.0039957700000000 ] - [ 0.0002427700000000, -0.0002001200000000, 0.0055730700000000 ] - [ -0.0000808400000000, 0.0016066500000000, 0.0041131400000000 ] - [ -0.0000160400000000, 0.0016704400000000, 0.0042058900000000 ] - [ 0.0003315800000000, -0.0011164800000000, 0.0001678800000000 ] - [ 0.0011366900000000, 0.0015136200000000, 0.0001820000000000 ] - [ -0.0011512000000000, 0.0015006800000000, 0.0001220700000000 ] - [ -0.0001261000000000, 0.0003830400000000, 0.0001617100000000 ] - [ 0.0000209800000000, 0.0006544800000000, 0.0001510200000000 ] - [ -0.0002355400000000, 0.0006547400000000, 0.0001613600000000 ] - [ 0.0006209500000000, -0.0004059200000000, -0.0005195300000000 ] - [ -0.0014197500000000, -0.0002358900000000, 0.0015362900000000 ] - [ 0.0000097200000000, -0.0002823100000000, 0.0001778100000000 ] - [ 0.0004072900000000, -0.0004080100000000, 0.0009699400000000 ] - [ -0.0015478900000000, -0.0002349200000000, -0.0012145900000000 ] - [ 0.0000155200000000, -0.0002828500000000, 0.0001600000000000 ] - [ 0.0112778100000000, 0.0041413800000000, 0.0081887700000000 ] - [ -0.0006169100000000, -0.0003670200000000, 0.0043008100000000 ] - [ 0.0001694800000000, -0.0001057800000000, 0.0049168100000000 ] - [ 0.0000928400000000, -0.0018453100000000, 0.0037702200000000 ] - [ -0.0001116600000000, -0.0005957500000000, 0.0051269100000000 ] - [ 0.0001074500000000, -0.0004046000000000, 0.0047764400000000 ] - [ 0.0001190800000000, -0.0002483600000000, 0.0036123500000000 ] - [ 0.0000478400000000, -0.0013632000000000, 0.0037955700000000 ] - [ -0.0000913400000000, 0.0001316800000000, 0.0043509000000000 ] - [ -0.0000980300000000, -0.0002423500000000, 0.0042282500000000 ] - [ -0.0000514200000000, -0.0012265300000000, 0.0035589700000000 ] - [ -0.0001679900000000, -0.0001026200000000, 0.0041230900000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002428000000000, -0.0002028100000000, -0.0001401500000000 ] - [ -0.0014598900000000, -0.0036694400000000, -0.0001713600000000 ] - [ 0.0000001900000000, 0.0005718900000000, -0.0001558700000000 ] - [ -0.0000946300000000, 0.0000455000000000, -0.0001382800000000 ] - [ 0.0001076100000000, -0.0000499400000000, -0.0001338900000000 ] - [ 0.0000005600000000, 0.0003945800000000, -0.0001496000000000 ] - [ 0.0002943600000000, -0.0016136600000000, 0.0002268400000000 ] - [ 0.0000561100000000, 0.0003689300000000, 0.0002224200000000 ] - [ -0.0000492000000000, 0.0002295900000000, -0.0003645700000000 ] - [ 0.0001660400000000, -0.0015537500000000, -0.0004459100000000 ] - [ 0.0000456100000000, 0.0003580200000000, -0.0005208300000000 ] - [ -0.0000596800000000, 0.0002485800000000, 0.0000725600000000 ] - [ -0.0012898700000000, -0.0007901600000000, -0.0081724700000000 ] - [ 0.0000795300000000, -0.0011244300000000, -0.0073534400000000 ] - [ -0.0007922300000000, 0.0007961700000000, -0.0075993200000000 ] - [ -0.0010698200000000, -0.0008281900000000, -0.0072349300000000 ] - [ 0.0001136700000000, -0.0009653500000000, -0.0082388700000000 ] - [ -0.0007954500000000, 0.0008018900000000, -0.0076067500000000 ] - [ -0.0303798700000000, -0.0254794100000000, -0.0059524300000000 ] - [ -0.0003415800000000, 0.0022556900000000, -0.0077351000000000 ] - [ 0.0015177400000000, 0.0020347300000000, -0.0079824300000000 ] - [ 0.0009960900000000, -0.0018200700000000, -0.0071876000000000 ] - [ 0.0005396700000000, 0.0013351100000000, -0.0078007300000000 ] - [ 0.0008665300000000, 0.0014632800000000, -0.0077457000000000 ] - [ -0.0003428000000000, -0.0016744500000000, -0.0075809200000000 ] - [ 0.0005314900000000, 0.0012188200000000, -0.0076925300000000 ] - [ -0.0017211600000000, 0.0014512200000000, -0.0077478100000000 ] - [ -0.0009099000000000, -0.0007742100000000, -0.0077429100000000 ] - [ -0.0006533200000000, 0.0008969900000000, -0.0077914900000000 ] - [ -0.0008990100000000, 0.0009643100000000, -0.0076908400000000 ] - [ 0.0019555500000000, 0.0014296400000000, -0.0099382600000000 ] - [ -0.0010238100000000, 0.0005291700000000, -0.0050633000000000 ] - [ 0.0008279400000000, 0.0010264700000000, -0.0075288600000000 ] - [ 0.0016087300000000, 0.0014704900000000, -0.0032626800000000 ] - [ -0.0015363500000000, -0.0003729800000000, -0.0097874000000000 ] - [ 0.0008363400000000, 0.0010708700000000, -0.0076045300000000 ] - [ 0.0027285500000000, -0.0046152700000000, 0.0014289200000000 ] - [ -0.0009129100000000, -0.0056823100000000, 0.0020707800000000 ] - [ -0.0000097900000000, -0.0045032500000000, 0.0021560400000000 ] - [ 0.0002640500000000, -0.0057099800000000, 0.0022264400000000 ] - [ -0.0002727000000000, -0.0058026700000000, 0.0023552300000000 ] - [ 0.0000083600000000, -0.0047859600000000, 0.0021611400000000 ] - [ 0.0009696700000000, 0.0029406700000000, 0.0018376700000000 ] - [ -0.0002918000000000, 0.0060015000000000, 0.0024321800000000 ] - [ 0.0001665500000000, 0.0060270900000000, 0.0020762000000000 ] - [ 0.0001418600000000, 0.0034516000000000, 0.0020426900000000 ] - [ -0.0002028600000000, 0.0059767300000000, 0.0020668600000000 ] - [ 0.0002025000000000, 0.0061131300000000, 0.0024670900000000 ] - [ -0.0003219100000000, -0.0001300400000000, 0.0046734000000000 ] - [ -0.0002382200000000, -0.0010264000000000, 0.0046304100000000 ] - [ 0.0000961700000000, -0.0017948400000000, 0.0040871700000000 ] - [ -0.0001305800000000, -0.0005108400000000, 0.0048033100000000 ] - [ 0.0000055700000000, -0.0011057000000000, 0.0043418600000000 ] - [ 0.0000062200000000, -0.0014672200000000, 0.0042721300000000 ] - [ -0.0003285000000000, 0.0012555200000000, 0.0038193400000000 ] - [ -0.0001284100000000, 0.0000767400000000, 0.0041094800000000 ] - [ -0.0001487700000000, 0.0003594000000000, 0.0041603400000000 ] - [ -0.0001184000000000, 0.0012610600000000, 0.0037113900000000 ] - [ -0.0002747400000000, -0.0001763300000000, 0.0043951100000000 ] - [ -0.0002588000000000, 0.0003678800000000, 0.0037862500000000 ] - [ 0.0366718300000000, 0.0324838100000000, -0.0008988100000000 ] - [ 0.0008670400000000, -0.0001586400000000, 0.0001728500000000 ] - [ -0.0005612500000000, -0.0001650600000000, 0.0001908400000000 ] - [ 0.0001863100000000, 0.0008221800000000, 0.0001249600000000 ] - [ 0.0002016600000000, 0.0004074400000000, 0.0001742100000000 ] - [ 0.0000766800000000, 0.0004075600000000, 0.0001501800000000 ] - [ 0.0002485300000000, 0.0016839500000000, 0.0030458600000000 ] - [ 0.0002025300000000, -0.0000642900000000, 0.0042098000000000 ] - [ -0.0000721100000000, -0.0000773000000000, 0.0045745400000000 ] - [ 0.0060272800000000, 0.0045404500000000, 0.0032081400000000 ] - [ 0.0003505900000000, -0.0003850300000000, 0.0045340300000000 ] - [ -0.0000667500000000, -0.0002975700000000, 0.0040684400000000 ] - [ -0.0001310000000000, -0.0010681800000000, 0.0039360800000000 ] - [ 0.0057808600000000, 0.0010682700000000, 0.0026930700000000 ] - [ 0.0002271600000000, -0.0013618500000000, 0.0035290200000000 ] - [ -0.0001689100000000, -0.0013043900000000, 0.0032270400000000 ] - [ 0.0004153900000000, 0.0005845500000000, 0.0046403300000000 ] - [ 0.0001408300000000, -0.0010940100000000, 0.0037459000000000 ] - [ -0.0003801600000000, 0.0016636700000000, -0.0035359100000000 ] - [ 0.0001421700000000, 0.0020296600000000, -0.0040125600000000 ] - [ -0.0000441500000000, 0.0016048800000000, -0.0039314200000000 ] - [ -0.0000968300000000, 0.0026171100000000, -0.0036542600000000 ] - [ 0.0000812600000000, 0.0020221900000000, -0.0038804000000000 ] - [ -0.0000656900000000, 0.0017841200000000, -0.0040402500000000 ] - [ 0.0004237500000000, -0.0004558100000000, 0.0006010100000000 ] - [ -0.0010036700000000, -0.0003566500000000, -0.0004685200000000 ] - [ -0.0002292300000000, -0.0008035300000000, 0.0001440800000000 ] - [ 0.0004107300000000, -0.0004564600000000, -0.0002786200000000 ] - [ -0.0009998100000000, -0.0003565500000000, 0.0007804500000000 ] - [ -0.0002267300000000, -0.0008036000000000, 0.0001601500000000 ] - [ -0.0001419100000000, 0.0015206600000000, 0.0042081500000000 ] - [ -0.0001123600000000, 0.0010772000000000, 0.0043333500000000 ] - [ -0.0000824900000000, 0.0003579400000000, 0.0048858500000000 ] - [ 0.0001512900000000, 0.0017907700000000, 0.0041736700000000 ] - [ -0.0000325100000000, 0.0008458100000000, 0.0046876700000000 ] - [ -0.0001469800000000, 0.0005558100000000, 0.0046329900000000 ] - [ -0.0005351400000000, -0.0018039900000000, -0.0035961200000000 ] - [ 0.0003479900000000, -0.0022115700000000, -0.0042167900000000 ] - [ -0.0000031000000000, -0.0025565900000000, -0.0038378300000000 ] - [ -0.0012974900000000, -0.0018502800000000, -0.0049108300000000 ] - [ 0.0002663100000000, -0.0022819700000000, -0.0036575300000000 ] - [ -0.0000005500000000, -0.0025503900000000, -0.0038472800000000 ] - [ -0.0050325300000000, 0.0004978400000000, 0.0086687300000000 ] - [ 0.0004016800000000, 0.0004273100000000, 0.0045081300000000 ] - [ 0.0000362500000000, 0.0002555200000000, 0.0049660800000000 ] - [ -0.0001813900000000, 0.0022667100000000, 0.0033864700000000 ] - [ 0.0001439300000000, 0.0004491800000000, 0.0048493600000000 ] - [ 0.0000782600000000, 0.0003977500000000, 0.0047501400000000 ] - [ -0.0005610900000000, 0.0022124800000000, 0.0001480800000000 ] - [ -0.0013541100000000, -0.0003993700000000, 0.0001357500000000 ] - [ 0.0009275600000000, -0.0004127300000000, 0.0001957000000000 ] - [ -0.0001112300000000, 0.0007159900000000, 0.0001542200000000 ] - [ -0.0002621400000000, 0.0004461700000000, 0.0001657900000000 ] - [ 0.0000005100000000, 0.0004462100000000, 0.0001547100000000 ] - [ -0.0003995200000000, -0.0006891000000000, 0.0008425700000000 ] - [ 0.0016420700000000, -0.0008630400000000, -0.0012050700000000 ] - [ 0.0002237100000000, -0.0008154800000000, 0.0001400600000000 ] - [ -0.0001793900000000, -0.0006910500000000, -0.0006581300000000 ] - [ 0.0017619600000000, -0.0008620400000000, 0.0015168900000000 ] - [ 0.0002220600000000, -0.0008156700000000, 0.0001564300000000 ] - [ -0.0113353800000000, -0.0062031800000000, 0.0007419800000000 ] - [ 0.0006702900000000, -0.0017035900000000, 0.0046505800000000 ] - [ -0.0001071600000000, -0.0019560100000000, 0.0040430400000000 ] - [ -0.0000303300000000, -0.0002192700000000, 0.0051829700000000 ] - [ 0.0001730200000000, -0.0014681800000000, 0.0038347300000000 ] - [ -0.0000458400000000, -0.0016551400000000, 0.0041844100000000 ] - [ -0.0003822200000000, -0.0008052600000000, 0.0043482700000000 ] - [ -0.0003063800000000, 0.0002842300000000, 0.0041474800000000 ] - [ -0.0001721500000000, -0.0011915300000000, 0.0036069200000000 ] - [ -0.0001678800000000, -0.0008156700000000, 0.0037271900000000 ] - [ -0.0002109600000000, 0.0001570800000000, 0.0043891400000000 ] - [ -0.0000964200000000, -0.0009581000000000, 0.0038303900000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001195500000000, 0.0001139600000000, 0.0009863400000000 ] - [ 0.0000241600000000, 0.0001892900000000, 0.0009433700000000 ] - [ -0.0000093200000000, 0.0001510400000000, -0.0001092900000000 ] - [ -0.0000382200000000, 0.0001490000000000, -0.0008144800000000 ] - [ -0.0000130700000000, 0.0001284600000000, -0.0008030000000000 ] - [ -0.0000065600000000, 0.0001502200000000, -0.0001898400000000 ] - [ 0.0000987700000000, -0.0005321900000000, 0.0011710900000000 ] - [ -0.0000624000000000, -0.0002669900000000, -0.0001234900000000 ] - [ -0.0000724400000000, -0.0000039900000000, -0.0001267300000000 ] - [ 0.0001767300000000, 0.0001617400000000, 0.0002927800000000 ] - [ 0.0000515400000000, 0.0000041400000000, -0.0001582300000000 ] - [ 0.0000130400000000, -0.0002393900000000, -0.0001580000000000 ] - [ -0.0012431300000000, 0.0001030000000000, -0.0075010500000000 ] - [ -0.0014925400000000, -0.0006627000000000, -0.0076171800000000 ] - [ -0.0008565300000000, -0.0003311900000000, -0.0076861400000000 ] - [ -0.0002994400000000, -0.0007396200000000, -0.0078542900000000 ] - [ -0.0001473600000000, -0.0000141900000000, -0.0077598500000000 ] - [ -0.0008129000000000, -0.0002934700000000, -0.0077227200000000 ] - [ -0.0090093100000000, -0.0006574500000000, 0.0135475000000000 ] - [ 0.0008981100000000, 0.0005077300000000, -0.0067981000000000 ] - [ 0.0008465200000000, 0.0006517500000000, -0.0068440600000000 ] - [ 0.0008032500000000, 0.0000608200000000, -0.0101555400000000 ] - [ 0.0007980200000000, 0.0001883000000000, -0.0085808100000000 ] - [ 0.0008357200000000, 0.0003640100000000, -0.0084392800000000 ] - [ -0.0011453300000000, 0.0004892800000000, -0.0064600000000000 ] - [ -0.0008660700000000, 0.0003982300000000, -0.0073440900000000 ] - [ -0.0008757800000000, 0.0001049100000000, -0.0073558700000000 ] - [ -0.0008176900000000, 0.0003731100000000, -0.0088872700000000 ] - [ -0.0008297300000000, 0.0002820300000000, -0.0080712000000000 ] - [ -0.0008444900000000, 0.0003294800000000, -0.0080305700000000 ] - [ 0.0013948300000000, 0.0042134700000000, -0.0099264400000000 ] - [ 0.0026239500000000, -0.0025128800000000, -0.0093590400000000 ] - [ 0.0008725300000000, -0.0002473800000000, -0.0077084400000000 ] - [ -0.0005266000000000, -0.0022340400000000, -0.0087421400000000 ] - [ -0.0009686700000000, 0.0024574100000000, -0.0093355500000000 ] - [ 0.0008225400000000, -0.0002209500000000, -0.0076597200000000 ] - [ -0.0009890400000000, -0.0059249300000000, 0.0031882000000000 ] - [ -0.0003305700000000, -0.0048794200000000, 0.0037040600000000 ] - [ 0.0000458500000000, -0.0053590400000000, 0.0023071100000000 ] - [ 0.0001592400000000, -0.0053956100000000, 0.0013252000000000 ] - [ 0.0001115100000000, -0.0053982100000000, 0.0015541300000000 ] - [ 0.0000322000000000, -0.0053924600000000, 0.0021149400000000 ] - [ 0.0021769700000000, 0.0048091900000000, 0.0021896500000000 ] - [ 0.0002011900000000, 0.0051335500000000, 0.0023925900000000 ] - [ 0.0002575800000000, 0.0057260500000000, 0.0023321300000000 ] - [ -0.0007671000000000, 0.0050550700000000, 0.0014457900000000 ] - [ -0.0001347500000000, 0.0057192800000000, 0.0021009700000000 ] - [ -0.0000074900000000, 0.0051882300000000, 0.0021232100000000 ] - [ 0.0001331200000000, -0.0012400200000000, 0.0043633600000000 ] - [ -0.0000542600000000, -0.0012191300000000, 0.0042410400000000 ] - [ -0.0000522400000000, -0.0009989200000000, 0.0044555600000000 ] - [ -0.0000716900000000, -0.0008323600000000, 0.0047884800000000 ] - [ -0.0000412700000000, -0.0008162000000000, 0.0047433800000000 ] - [ -0.0000389700000000, -0.0010145300000000, 0.0045152700000000 ] - [ -0.0003153700000000, 0.0004907500000000, 0.0044592300000000 ] - [ -0.0001746800000000, 0.0005193700000000, 0.0040529100000000 ] - [ -0.0002030600000000, 0.0003082500000000, 0.0041936100000000 ] - [ -0.0001043200000000, 0.0005565900000000, 0.0036936300000000 ] - [ -0.0001014700000000, 0.0005134700000000, 0.0039202600000000 ] - [ -0.0000083700000000, 0.0008675800000000, 0.0038693900000000 ] - [ 0.0071721300000000, 0.0015666900000000, -0.0254005500000000 ] - [ 0.0001024800000000, 0.0005173200000000, 0.0000645000000000 ] - [ 0.0001369600000000, 0.0005352500000000, 0.0000639200000000 ] - [ 0.0001525300000000, 0.0005822000000000, 0.0013169400000000 ] - [ 0.0001302900000000, 0.0005575800000000, 0.0002577800000000 ] - [ 0.0001234100000000, 0.0005324200000000, 0.0002579600000000 ] - [ -0.0000356000000000, 0.0001514800000000, 0.0049814900000000 ] - [ 0.0001511400000000, 0.0005040900000000, 0.0040697200000000 ] - [ -0.0000655600000000, -0.0002183100000000, 0.0047555000000000 ] - [ 0.0083256800000000, -0.0005370100000000, 0.0032604300000000 ] - [ 0.0000994900000000, 0.0004903000000000, 0.0039159500000000 ] - [ 0.0000803200000000, 0.0010622800000000, 0.0034773600000000 ] - [ -0.0002672600000000, -0.0016010300000000, 0.0029371700000000 ] - [ -0.0043851900000000, 0.0006496800000000, 0.0038063800000000 ] - [ 0.0001530800000000, -0.0005417000000000, 0.0038215200000000 ] - [ 0.0004080900000000, 0.0000613800000000, 0.0047839800000000 ] - [ 0.0004001900000000, -0.0001017800000000, 0.0050391200000000 ] - [ 0.0000843800000000, -0.0005990100000000, 0.0040941600000000 ] - [ 0.0011418300000000, 0.0021026200000000, -0.0034016000000000 ] - [ -0.0000517600000000, 0.0018082400000000, -0.0041342800000000 ] - [ -0.0000584100000000, 0.0021030200000000, -0.0040670900000000 ] - [ -0.0000053100000000, 0.0023097900000000, -0.0032964200000000 ] - [ 0.0000120400000000, 0.0022324400000000, -0.0037164300000000 ] - [ -0.0000135700000000, 0.0021531900000000, -0.0037918800000000 ] - [ 0.0004504400000000, -0.0009854800000000, 0.0001296800000000 ] - [ 0.0006600900000000, 0.0000809000000000, 0.0001573200000000 ] - [ -0.0000674800000000, -0.0005460900000000, 0.0001613900000000 ] - [ -0.0005947400000000, -0.0001117700000000, 0.0001312200000000 ] - [ -0.0009059600000000, -0.0011763900000000, 0.0001577300000000 ] - [ -0.0001413500000000, -0.0005634800000000, 0.0001607400000000 ] - [ -0.0000635700000000, 0.0010707300000000, 0.0039640400000000 ] - [ -0.0000119700000000, 0.0012927100000000, 0.0042096500000000 ] - [ -0.0001043700000000, 0.0010691300000000, 0.0043583400000000 ] - [ 0.0000185000000000, 0.0010285900000000, 0.0049173300000000 ] - [ -0.0000403500000000, 0.0007585100000000, 0.0047552300000000 ] - [ -0.0000167000000000, 0.0010171500000000, 0.0045648000000000 ] - [ -0.0008640000000000, -0.0026636000000000, -0.0030873700000000 ] - [ -0.0003253100000000, -0.0018035300000000, -0.0036408700000000 ] - [ -0.0000107700000000, -0.0022062100000000, -0.0038705900000000 ] - [ 0.0001955000000000, -0.0020420900000000, -0.0039405400000000 ] - [ 0.0004028900000000, -0.0025659500000000, -0.0040951300000000 ] - [ -0.0000184000000000, -0.0021003800000000, -0.0039462100000000 ] - [ -0.0083357400000000, -0.0037285600000000, 0.0080848900000000 ] - [ -0.0001816200000000, 0.0018883900000000, 0.0038502400000000 ] - [ 0.0000383100000000, 0.0008865700000000, 0.0044439000000000 ] - [ 0.0003952500000000, 0.0010565000000000, 0.0053251200000000 ] - [ 0.0001732100000000, 0.0000363400000000, 0.0052600700000000 ] - [ -0.0000089100000000, 0.0010138400000000, 0.0045983900000000 ] - [ -0.0000974100000000, 0.0005578600000000, -0.0013149200000000 ] - [ -0.0001379800000000, 0.0005124200000000, 0.0001266300000000 ] - [ -0.0000860900000000, 0.0005717900000000, 0.0001266700000000 ] - [ -0.0001300200000000, 0.0005532100000000, 0.0017178500000000 ] - [ -0.0001128200000000, 0.0005530600000000, 0.0002158600000000 ] - [ -0.0000967800000000, 0.0005406800000000, 0.0002158800000000 ] - [ -0.0000077000000000, -0.0013660600000000, 0.0002437100000000 ] - [ -0.0013780700000000, 0.0008241200000000, 0.0007568200000000 ] - [ 0.0000937500000000, -0.0005499500000000, 0.0001581300000000 ] - [ 0.0007884300000000, 0.0001293200000000, 0.0002469200000000 ] - [ 0.0016491300000000, -0.0019118100000000, 0.0007534600000000 ] - [ 0.0001464100000000, -0.0005672500000000, 0.0001579400000000 ] - [ 0.0067451200000000, 0.0019459400000000, 0.0029126100000000 ] - [ 0.0001576400000000, -0.0017039000000000, 0.0037677800000000 ] - [ -0.0000126100000000, -0.0011448200000000, 0.0043766200000000 ] - [ -0.0001513700000000, -0.0005563700000000, 0.0055294300000000 ] - [ -0.0000762300000000, -0.0003698900000000, 0.0054748200000000 ] - [ 0.0000349400000000, -0.0010423700000000, 0.0045368000000000 ] - [ 0.0001779900000000, -0.0005678100000000, 0.0034196000000000 ] - [ -0.0001397900000000, -0.0006054300000000, 0.0034762500000000 ] - [ -0.0001660700000000, -0.0005360800000000, 0.0038829200000000 ] - [ -0.0002740800000000, -0.0003370800000000, 0.0043333800000000 ] - [ -0.0001784200000000, -0.0004351900000000, 0.0043778900000000 ] - [ -0.0001078200000000, -0.0005528400000000, 0.0040692400000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001115200000000, 0.0001781100000000, -0.0012833800000000 ] - [ -0.0000472300000000, 0.0000612900000000, -0.0012414300000000 ] - [ 0.0000088100000000, 0.0001306600000000, -0.0001895800000000 ] - [ 0.0000384600000000, 0.0001422800000000, 0.0005140200000000 ] - [ 0.0000143000000000, 0.0001459000000000, 0.0005035900000000 ] - [ 0.0000072800000000, 0.0001299300000000, -0.0001086000000000 ] - [ -0.0000279800000000, 0.0002344200000000, -0.0013472000000000 ] - [ 0.0000625700000000, -0.0000170800000000, -0.0001728500000000 ] - [ 0.0000715000000000, -0.0002748700000000, -0.0001706300000000 ] - [ -0.0001237500000000, -0.0004573200000000, -0.0006884300000000 ] - [ -0.0000514400000000, -0.0002859000000000, -0.0001429700000000 ] - [ -0.0000140600000000, -0.0000405800000000, -0.0001398400000000 ] - [ -0.0004443200000000, -0.0007599500000000, -0.0078688100000000 ] - [ -0.0001978100000000, 0.0000142300000000, -0.0077606200000000 ] - [ -0.0008178900000000, -0.0003196400000000, -0.0077013300000000 ] - [ -0.0013927500000000, 0.0000928200000000, -0.0075522000000000 ] - [ -0.0015440200000000, -0.0006330800000000, -0.0076368100000000 ] - [ -0.0008639200000000, -0.0003577400000000, -0.0076675000000000 ] - [ 0.0124057000000000, 0.0014417100000000, -0.0290797700000000 ] - [ 0.0007796100000000, 0.0001408100000000, -0.0085908600000000 ] - [ 0.0008338100000000, -0.0000097000000000, -0.0085369600000000 ] - [ 0.0008954100000000, 0.0005885100000000, -0.0052306800000000 ] - [ 0.0008775900000000, 0.0004580600000000, -0.0068062600000000 ] - [ 0.0008392600000000, 0.0002827300000000, -0.0069523100000000 ] - [ -0.0005975900000000, 0.0001793000000000, -0.0089324600000000 ] - [ -0.0008091000000000, 0.0002503100000000, -0.0080440800000000 ] - [ -0.0008033300000000, 0.0005379100000000, -0.0080305700000000 ] - [ -0.0008916900000000, 0.0002770900000000, -0.0065005000000000 ] - [ -0.0008510400000000, 0.0003641900000000, -0.0073178500000000 ] - [ -0.0008321100000000, 0.0003195100000000, -0.0073592300000000 ] - [ 0.0002920400000000, -0.0048489600000000, -0.0054557100000000 ] - [ -0.0009205500000000, 0.0018686300000000, -0.0060092000000000 ] - [ 0.0008006200000000, -0.0004018600000000, -0.0076788200000000 ] - [ 0.0022191400000000, 0.0015793000000000, -0.0066902400000000 ] - [ 0.0026691100000000, -0.0031048000000000, -0.0060623500000000 ] - [ 0.0008526300000000, -0.0004296500000000, -0.0077307700000000 ] - [ 0.0009794600000000, -0.0049530200000000, 0.0012420400000000 ] - [ 0.0003289500000000, -0.0059238600000000, 0.0007330000000000 ] - [ -0.0000462200000000, -0.0054586100000000, 0.0021352400000000 ] - [ -0.0001602600000000, -0.0054173000000000, 0.0031173200000000 ] - [ -0.0001124800000000, -0.0054201600000000, 0.0028905500000000 ] - [ -0.0000320700000000, -0.0054242900000000, 0.0023277500000000 ] - [ -0.0021720900000000, 0.0060103600000000, 0.0023155200000000 ] - [ -0.0002020300000000, 0.0056826900000000, 0.0020506800000000 ] - [ -0.0002571100000000, 0.0050882700000000, 0.0021125900000000 ] - [ 0.0007643300000000, 0.0057644200000000, 0.0029748000000000 ] - [ 0.0001351400000000, 0.0050961700000000, 0.0023411400000000 ] - [ 0.0000063100000000, 0.0056238500000000, 0.0023155800000000 ] - [ -0.0001790100000000, -0.0008118000000000, 0.0046141700000000 ] - [ -0.0000064700000000, -0.0008446700000000, 0.0047234100000000 ] - [ -0.0000103200000000, -0.0010629600000000, 0.0045069100000000 ] - [ 0.0000124900000000, -0.0012387600000000, 0.0041638200000000 ] - [ -0.0000205200000000, -0.0012497900000000, 0.0042146000000000 ] - [ -0.0000225500000000, -0.0010485500000000, 0.0044448000000000 ] - [ 0.0000574200000000, 0.0005721900000000, 0.0034882300000000 ] - [ -0.0000905500000000, 0.0005463100000000, 0.0038976700000000 ] - [ -0.0000640400000000, 0.0007552400000000, 0.0037576300000000 ] - [ -0.0001582100000000, 0.0004912400000000, 0.0042747000000000 ] - [ -0.0001642100000000, 0.0005497300000000, 0.0040352100000000 ] - [ -0.0002517700000000, 0.0001995600000000, 0.0040879500000000 ] - [ -0.0087977000000000, -0.0006088300000000, 0.0257950000000000 ] - [ 0.0001371800000000, 0.0005835400000000, 0.0002535000000000 ] - [ 0.0001032800000000, 0.0005653700000000, 0.0002525200000000 ] - [ 0.0000630200000000, 0.0005175600000000, -0.0009995500000000 ] - [ 0.0001053400000000, 0.0005438900000000, 0.0000589100000000 ] - [ 0.0001086600000000, 0.0005662000000000, 0.0000592700000000 ] - [ 0.0002942200000000, 0.0009106700000000, 0.0029653500000000 ] - [ 0.0001161200000000, 0.0005601100000000, 0.0038830300000000 ] - [ 0.0003311700000000, 0.0012773600000000, 0.0032004200000000 ] - [ -0.0081146300000000, 0.0015959400000000, 0.0047561500000000 ] - [ 0.0001666100000000, 0.0005734200000000, 0.0040373400000000 ] - [ 0.0001807500000000, 0.0000119200000000, 0.0044766700000000 ] - [ 0.0005296100000000, 0.0005366800000000, 0.0050089900000000 ] - [ 0.0046335400000000, -0.0017487700000000, 0.0040782400000000 ] - [ 0.0001134700000000, -0.0005193700000000, 0.0041346700000000 ] - [ -0.0001393900000000, -0.0011186800000000, 0.0031760200000000 ] - [ -0.0001374800000000, -0.0009601500000000, 0.0029203400000000 ] - [ 0.0001823500000000, -0.0004622700000000, 0.0038602600000000 ] - [ -0.0009148800000000, 0.0022025600000000, -0.0044750100000000 ] - [ 0.0000513900000000, 0.0024364800000000, -0.0036952700000000 ] - [ 0.0000573700000000, 0.0021472100000000, -0.0037630100000000 ] - [ 0.0000062100000000, 0.0019375000000000, -0.0045300500000000 ] - [ -0.0000079800000000, 0.0020147200000000, -0.0041132600000000 ] - [ 0.0000149600000000, 0.0020949300000000, -0.0040377300000000 ] - [ -0.0006703700000000, -0.0001183100000000, 0.0001865200000000 ] - [ -0.0008862300000000, -0.0011737900000000, 0.0001594800000000 ] - [ -0.0001699700000000, -0.0005532900000000, 0.0001565100000000 ] - [ 0.0003743500000000, -0.0009932900000000, 0.0001880600000000 ] - [ 0.0006761600000000, 0.0000831400000000, 0.0001601000000000 ] - [ -0.0000969000000000, -0.0005359900000000, 0.0001557200000000 ] - [ 0.0000246500000000, 0.0010046400000000, 0.0049740200000000 ] - [ -0.0000487000000000, 0.0007743700000000, 0.0047486800000000 ] - [ 0.0000426500000000, 0.0009977500000000, 0.0046008800000000 ] - [ -0.0000747400000000, 0.0010277700000000, 0.0040509100000000 ] - [ -0.0000217300000000, 0.0013095500000000, 0.0042047300000000 ] - [ -0.0000448800000000, 0.0010488500000000, 0.0043944700000000 ] - [ 0.0008558500000000, -0.0015794800000000, -0.0047449600000000 ] - [ 0.0003249000000000, -0.0024427900000000, -0.0041914200000000 ] - [ 0.0000121200000000, -0.0020399300000000, -0.0039591500000000 ] - [ -0.0001902100000000, -0.0022065400000000, -0.0038760700000000 ] - [ -0.0003996400000000, -0.0016819800000000, -0.0037318000000000 ] - [ 0.0000190000000000, -0.0021453500000000, -0.0038835300000000 ] - [ 0.0083124200000000, 0.0057551100000000, 0.0008639000000000 ] - [ 0.0002429600000000, 0.0001762800000000, 0.0051081100000000 ] - [ 0.0000235600000000, 0.0011770400000000, 0.0045166900000000 ] - [ -0.0003386600000000, 0.0009979600000000, 0.0036406300000000 ] - [ -0.0001115100000000, 0.0020290900000000, 0.0036985400000000 ] - [ 0.0000710300000000, 0.0010523300000000, 0.0043603300000000 ] - [ -0.0001292500000000, 0.0005402500000000, 0.0016311900000000 ] - [ -0.0000985900000000, 0.0005879900000000, 0.0001906400000000 ] - [ -0.0001506900000000, 0.0005280700000000, 0.0001903600000000 ] - [ -0.0000737800000000, 0.0005477000000000, -0.0014012500000000 ] - [ -0.0001291500000000, 0.0005486300000000, 0.0001008600000000 ] - [ -0.0001379500000000, 0.0005581300000000, 0.0001006900000000 ] - [ 0.0002363400000000, 0.0002591900000000, 0.0000711500000000 ] - [ 0.0015944100000000, -0.0019101100000000, -0.0004370400000000 ] - [ 0.0001395500000000, -0.0005489500000000, 0.0001591000000000 ] - [ -0.0005696800000000, -0.0012357300000000, 0.0000744000000000 ] - [ -0.0014363000000000, 0.0008270500000000, -0.0004399000000000 ] - [ 0.0000914000000000, -0.0005320700000000, 0.0001589900000000 ] - [ -0.0066902900000000, -0.0039432700000000, 0.0061476900000000 ] - [ -0.0000972300000000, -0.0003632000000000, 0.0051938600000000 ] - [ 0.0000748800000000, -0.0009174500000000, 0.0045836900000000 ] - [ 0.0002104900000000, -0.0015104900000000, 0.0034273300000000 ] - [ 0.0001392900000000, -0.0016939700000000, 0.0034831700000000 ] - [ 0.0000266800000000, -0.0010200300000000, 0.0044224700000000 ] - [ -0.0004394100000000, -0.0004909600000000, 0.0045324300000000 ] - [ -0.0001207900000000, -0.0004716600000000, 0.0044651500000000 ] - [ -0.0000995500000000, -0.0005262700000000, 0.0040719900000000 ] - [ 0.0000085700000000, -0.0007232700000000, 0.0036234400000000 ] - [ -0.0000833800000000, -0.0006273600000000, 0.0035774400000000 ] - [ -0.0001578200000000, -0.0005062000000000, 0.0038858300000000 ]- atom: 79 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0017333200000000, 0.0001498300000000, -0.0001479900000000 ] - [ -0.0014996000000000, 0.0001306500000000, -0.0001482800000000 ] - [ -0.0001363800000000, 0.0001408200000000, -0.0001493400000000 ] - [ -0.0005870500000000, 0.0001428200000000, -0.0001500400000000 ] - [ -0.0003827300000000, 0.0001405900000000, -0.0001489300000000 ] - [ -0.0001458300000000, 0.0001402600000000, -0.0001483500000000 ] - [ -0.0018505000000000, -0.0001429200000000, -0.0001563700000000 ] - [ -0.0002569000000000, -0.0001436800000000, -0.0001481900000000 ] - [ -0.0004117100000000, -0.0001386900000000, -0.0001480500000000 ] - [ -0.0014171700000000, -0.0001408700000000, -0.0001408400000000 ] - [ -0.0002254200000000, -0.0001423700000000, -0.0001494700000000 ] - [ -0.0003131800000000, -0.0001401500000000, -0.0001483500000000 ] - [ 0.0006615100000000, -0.0106909500000000, -0.0021332000000000 ] - [ -0.0009154800000000, 0.0029506600000000, -0.0028956200000000 ] - [ -0.0008166800000000, -0.0004077100000000, -0.0077581000000000 ] - [ 0.0011935600000000, -0.0054284200000000, -0.0144378600000000 ] - [ -0.0006069500000000, 0.0040038600000000, -0.0104223100000000 ] - [ -0.0008350900000000, -0.0003359900000000, -0.0077396900000000 ] - [ -0.0133034900000000, -0.0032775500000000, -0.0086495100000000 ] - [ 0.0010024700000000, -0.0007451300000000, -0.0073299300000000 ] - [ 0.0008163900000000, 0.0017587200000000, -0.0071943800000000 ] - [ 0.0011024700000000, -0.0007043600000000, -0.0075472600000000 ] - [ 0.0009333900000000, -0.0005479100000000, -0.0074839300000000 ] - [ 0.0006017100000000, 0.0017386800000000, -0.0080590300000000 ] - [ -0.0158850000000000, 0.0042538400000000, -0.0069263900000000 ] - [ -0.0006734100000000, 0.0013797600000000, -0.0080595000000000 ] - [ -0.0008768500000000, -0.0011358600000000, -0.0081644700000000 ] - [ -0.0005907900000000, 0.0013307300000000, -0.0078147300000000 ] - [ -0.0007407800000000, 0.0011883400000000, -0.0078961200000000 ] - [ -0.0010674300000000, -0.0010892400000000, -0.0073310300000000 ] - [ 0.0023783400000000, 0.0101190300000000, -0.0132772500000000 ] - [ 0.0007709300000000, -0.0035833900000000, -0.0125246200000000 ] - [ 0.0008526400000000, -0.0002445100000000, -0.0076252700000000 ] - [ 0.0029096600000000, 0.0048442100000000, -0.0009162800000000 ] - [ 0.0010756300000000, -0.0046746200000000, -0.0049397800000000 ] - [ 0.0008374800000000, -0.0003193900000000, -0.0076526200000000 ] - [ 0.0167821500000000, -0.0053713500000000, 0.0021775200000000 ] - [ 0.0056371400000000, -0.0054008200000000, 0.0022141100000000 ] - [ 0.0006388500000000, -0.0054146400000000, 0.0022188000000000 ] - [ 0.0024778000000000, -0.0054160400000000, 0.0022305400000000 ] - [ 0.0016335200000000, -0.0054025900000000, 0.0022269000000000 ] - [ 0.0006770200000000, -0.0054106000000000, 0.0022212500000000 ] - [ 0.0160600100000000, 0.0054430500000000, 0.0021946800000000 ] - [ 0.0012826000000000, 0.0054091000000000, 0.0022195700000000 ] - [ 0.0015547500000000, 0.0054060500000000, 0.0022275500000000 ] - [ 0.0052941700000000, 0.0054250400000000, 0.0022176800000000 ] - [ 0.0011549700000000, 0.0054060800000000, 0.0022216700000000 ] - [ 0.0011674800000000, 0.0054031000000000, 0.0022115600000000 ] - [ 0.0084375800000000, 0.0119473300000000, 0.0160926100000000 ] - [ -0.0007168600000000, -0.0019724300000000, 0.0039184300000000 ] - [ -0.0002429600000000, -0.0006747100000000, 0.0045938600000000 ] - [ -0.0010120900000000, -0.0013065700000000, 0.0027969200000000 ] - [ -0.0006547000000000, -0.0017133500000000, 0.0032846900000000 ] - [ -0.0002595600000000, -0.0005945300000000, 0.0045920900000000 ] - [ -0.0016388800000000, 0.0012220400000000, 0.0039361600000000 ] - [ -0.0004032100000000, 0.0003900100000000, 0.0041280700000000 ] - [ -0.0010665300000000, 0.0020580300000000, 0.0023557700000000 ] - [ 0.0005945400000000, -0.0071779000000000, 0.0119238000000000 ] - [ -0.0003986400000000, 0.0003171500000000, 0.0041836000000000 ] - [ -0.0016952200000000, 0.0013583900000000, 0.0033611900000000 ] - [ 0.0217275600000000, 0.0010292300000000, 0.0012056000000000 ] - [ 0.0003863600000000, 0.0005977200000000, 0.0001010700000000 ] - [ 0.0003348300000000, 0.0004075000000000, 0.0001051500000000 ] - [ 0.0005410800000000, 0.0006488000000000, 0.0001521300000000 ] - [ 0.0003531100000000, 0.0006178700000000, 0.0001442100000000 ] - [ 0.0004718400000000, 0.0004708000000000, 0.0001694900000000 ] - [ -0.0014321000000000, -0.0001893900000000, 0.0039858700000000 ] - [ -0.0001426600000000, 0.0006790100000000, 0.0038168400000000 ] - [ -0.0008134900000000, -0.0010009700000000, 0.0056051300000000 ] - [ 0.0008430800000000, 0.0083204600000000, -0.0040612700000000 ] - [ -0.0001394300000000, 0.0007526300000000, 0.0037667900000000 ] - [ -0.0014959300000000, -0.0002707300000000, 0.0046129200000000 ] - [ -0.0016081900000000, -0.0022123500000000, 0.0017281200000000 ] - [ 0.0024926600000000, 0.0090647300000000, 0.0111835600000000 ] - [ -0.0001138100000000, -0.0003163400000000, 0.0040364200000000 ] - [ -0.0009816400000000, -0.0020350000000000, 0.0026545400000000 ] - [ -0.0005530600000000, -0.0005577600000000, 0.0032367700000000 ] - [ -0.0000818300000000, -0.0003272000000000, 0.0040389400000000 ] - [ -0.0875725300000000, 0.0018673200000000, -0.0037718800000000 ] - [ -0.0004372800000000, 0.0021197600000000, -0.0039109000000000 ] - [ -0.0004367800000000, 0.0021302800000000, -0.0039145300000000 ] - [ -0.0009014400000000, 0.0021220200000000, -0.0039179500000000 ] - [ -0.0005289900000000, 0.0021186200000000, -0.0039133100000000 ] - [ -0.0005304400000000, 0.0021203300000000, -0.0039107700000000 ] - [ 0.0015450900000000, 0.0007363300000000, -0.0000333600000000 ] - [ 0.0006895000000000, -0.0008136700000000, -0.0002403300000000 ] - [ 0.0000180300000000, -0.0005496200000000, 0.0001774200000000 ] - [ 0.0007851400000000, -0.0000190500000000, 0.0010150200000000 ] - [ 0.0004727300000000, -0.0008982400000000, 0.0004804500000000 ] - [ 0.0000074400000000, -0.0005469400000000, 0.0001691100000000 ] - [ 0.0120410400000000, 0.0101039500000000, -0.0139663800000000 ] - [ -0.0004371200000000, -0.0003033100000000, 0.0048201300000000 ] - [ -0.0002829100000000, 0.0012887100000000, 0.0042521800000000 ] - [ -0.0009404700000000, 0.0001634400000000, 0.0054331500000000 ] - [ -0.0006807200000000, -0.0003526800000000, 0.0050867800000000 ] - [ -0.0003169800000000, 0.0012221300000000, 0.0041728900000000 ] - [ -0.0025918600000000, -0.0020996700000000, -0.0039294000000000 ] - [ -0.0011383300000000, -0.0021233700000000, -0.0039112900000000 ] - [ -0.0002396100000000, -0.0021190100000000, -0.0039128300000000 ] - [ -0.0025910900000000, -0.0021385300000000, -0.0038891700000000 ] - [ -0.0011344600000000, -0.0021177900000000, -0.0039130600000000 ] - [ -0.0002405200000000, -0.0021191600000000, -0.0039114200000000 ] - [ 0.0122615200000000, -0.0081893900000000, 0.0232288300000000 ] - [ -0.0003780000000000, 0.0023710500000000, 0.0041415500000000 ] - [ -0.0002232800000000, 0.0007792300000000, 0.0047031500000000 ] - [ -0.0008852100000000, 0.0018982400000000, 0.0035203100000000 ] - [ -0.0006239300000000, 0.0024309300000000, 0.0038656000000000 ] - [ -0.0002575500000000, 0.0008444800000000, 0.0047885600000000 ] - [ 0.0210809300000000, 0.0000442200000000, -0.0008522700000000 ] - [ 0.0001374700000000, 0.0005086800000000, 0.0002167900000000 ] - [ 0.0000900600000000, 0.0006904000000000, 0.0002093400000000 ] - [ 0.0003018500000000, 0.0004545300000000, 0.0001636400000000 ] - [ 0.0000973400000000, 0.0004858500000000, 0.0001718400000000 ] - [ 0.0002205400000000, 0.0006308500000000, 0.0001470100000000 ] - [ 0.0017931000000000, -0.0018517100000000, 0.0003509300000000 ] - [ 0.0009361600000000, -0.0002857900000000, 0.0005628100000000 ] - [ 0.0002645100000000, -0.0005511600000000, 0.0001398100000000 ] - [ 0.0010272000000000, -0.0010917300000000, -0.0007055300000000 ] - [ 0.0007240500000000, -0.0002006600000000, -0.0001693000000000 ] - [ 0.0002590600000000, -0.0005540200000000, 0.0001475500000000 ] - [ 0.0086131100000000, -0.0142148000000000, -0.0073325000000000 ] - [ -0.0006585800000000, -0.0000841600000000, 0.0050475100000000 ] - [ -0.0001821700000000, -0.0013810400000000, 0.0043713100000000 ] - [ -0.0009607700000000, -0.0007510900000000, 0.0061731300000000 ] - [ -0.0005959300000000, -0.0003561400000000, 0.0056778300000000 ] - [ -0.0002002400000000, -0.0014697500000000, 0.0043661800000000 ] - [ -0.0018363300000000, 0.0011390500000000, 0.0061864300000000 ] - [ 0.0022348300000000, -0.0100480600000000, -0.0031693600000000 ] - [ -0.0003728700000000, -0.0007429000000000, 0.0039182300000000 ] - [ -0.0012316200000000, 0.0009619200000000, 0.0052890200000000 ] - [ -0.0008064300000000, -0.0005159700000000, 0.0046999900000000 ] - [ -0.0003430200000000, -0.0007308900000000, 0.0039128200000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0009217500000000, 0.0001037700000000 ] - [ 0.0000000000000000, -0.0001636800000000, 0.0000062400000000 ] - [ 0.0000000000000000, -0.0004986300000000, -0.0000969900000000 ] - [ 0.0000000000000000, 0.0005067500000000, -0.0003295500000000 ] - [ 0.0000000000000000, 0.0002017400000000, -0.0002852000000000 ] - [ 0.0000000000000000, -0.0002944500000000, -0.0001819900000000 ] - [ 0.0000000000000000, 0.0006624800000000, -0.0004621300000000 ] - [ 0.0000000000000000, -0.0006873300000000, -0.0002053300000000 ] - [ 0.0000000000000000, -0.0002896200000000, 0.0000559500000000 ] - [ 0.0000000000000000, 0.0006868800000000, 0.0001565800000000 ] - [ 0.0000000000000000, -0.0006066900000000, -0.0001070600000000 ] - [ 0.0000000000000000, -0.0004745200000000, -0.0003876600000000 ] - [ -0.0007291800000000, 0.0021852300000000, -0.0044353300000000 ] - [ -0.0003026600000000, -0.0038856700000000, -0.0125870000000000 ] - [ -0.0007978500000000, -0.0033957100000000, -0.0075169800000000 ] - [ -0.0031486000000000, 0.0029019500000000, -0.0129374400000000 ] - [ -0.0007551000000000, -0.0021051800000000, -0.0051170500000000 ] - [ -0.0008136300000000, -0.0034162100000000, -0.0086629900000000 ] - [ -0.0083751400000000, 0.0148139400000000, -0.0055287800000000 ] - [ 0.0003219800000000, -0.0032603300000000, -0.0071056600000000 ] - [ 0.0029950000000000, -0.0050636700000000, -0.0040296700000000 ] - [ 0.0000407900000000, 0.0044918600000000, -0.0103872500000000 ] - [ 0.0008195800000000, -0.0024483000000000, -0.0078215800000000 ] - [ 0.0009996400000000, -0.0008893900000000, -0.0085310900000000 ] - [ 0.0083751400000000, 0.0148139400000000, -0.0055287800000000 ] - [ -0.0003219800000000, -0.0032603300000000, -0.0071056600000000 ] - [ -0.0029950000000000, -0.0050636700000000, -0.0040296700000000 ] - [ -0.0000407900000000, 0.0044918600000000, -0.0103872500000000 ] - [ -0.0008195800000000, -0.0024483000000000, -0.0078215800000000 ] - [ -0.0009996400000000, -0.0008893900000000, -0.0085310900000000 ] - [ 0.0007291800000000, 0.0021852300000000, -0.0044353300000000 ] - [ 0.0003026600000000, -0.0038856700000000, -0.0125870000000000 ] - [ 0.0007978500000000, -0.0033957100000000, -0.0075169800000000 ] - [ 0.0031486000000000, 0.0029019500000000, -0.0129374400000000 ] - [ 0.0007551000000000, -0.0021051800000000, -0.0051170500000000 ] - [ 0.0008136300000000, -0.0034162100000000, -0.0086629900000000 ] - [ 0.0000000000000000, 0.0416521000000000, 0.0044381200000000 ] - [ 0.0000000000000000, -0.0163775300000000, 0.0058026400000000 ] - [ 0.0000000000000000, -0.0084737800000000, 0.0021854300000000 ] - [ 0.0000000000000000, -0.0033888700000000, 0.0002418100000000 ] - [ 0.0000000000000000, -0.0055851200000000, 0.0013427100000000 ] - [ 0.0000000000000000, -0.0070099300000000, 0.0023175700000000 ] - [ 0.0000000000000000, 0.0197868300000000, 0.0042900000000000 ] - [ 0.0000000000000000, 0.0033662900000000, 0.0012514600000000 ] - [ 0.0000000000000000, 0.0045390300000000, 0.0043455000000000 ] - [ 0.0000000000000000, 0.0121076800000000, 0.0038983400000000 ] - [ 0.0000000000000000, 0.0033847600000000, 0.0022484600000000 ] - [ 0.0000000000000000, 0.0026997400000000, -0.0003422200000000 ] - [ 0.0080708600000000, -0.0033744800000000, 0.0072028900000000 ] - [ -0.0010273500000000, 0.0005244600000000, 0.0042250900000000 ] - [ -0.0001976600000000, 0.0013253000000000, 0.0055384600000000 ] - [ -0.0001022200000000, -0.0028330200000000, 0.0035043100000000 ] - [ 0.0001467400000000, 0.0007051100000000, 0.0063487400000000 ] - [ -0.0001190600000000, -0.0000309600000000, 0.0049145100000000 ] - [ -0.0021789100000000, 0.0000907400000000, 0.0069821700000000 ] - [ -0.0001511700000000, 0.0020402200000000, 0.0033961800000000 ] - [ -0.0002565300000000, 0.0000982600000000, 0.0037501700000000 ] - [ -0.0051696300000000, 0.0034250700000000, -0.0012205700000000 ] - [ 0.0001129800000000, 0.0024515700000000, 0.0031833500000000 ] - [ 0.0068254800000000, 0.0047556600000000, 0.0069377200000000 ] - [ 0.0045246200000000, 0.0010542800000000, 0.0001084600000000 ] - [ 0.0004429600000000, 0.0010746100000000, 0.0001347300000000 ] - [ -0.0008521300000000, 0.0006469900000000, -0.0001564000000000 ] - [ 0.0001562300000000, 0.0000621400000000, 0.0003404400000000 ] - [ 0.0003498700000000, 0.0008943700000000, 0.0001851000000000 ] - [ 0.0000721000000000, 0.0006560200000000, 0.0002634900000000 ] - [ 0.0021789100000000, 0.0000907400000000, 0.0069821700000000 ] - [ 0.0001511700000000, 0.0020402200000000, 0.0033961800000000 ] - [ 0.0002565300000000, 0.0000982600000000, 0.0037501700000000 ] - [ 0.0051696300000000, 0.0034250700000000, -0.0012205700000000 ] - [ -0.0001129800000000, 0.0024515700000000, 0.0031833500000000 ] - [ -0.0068254800000000, 0.0047556600000000, 0.0069377200000000 ] - [ -0.0028017200000000, -0.0005161900000000, -0.0001041500000000 ] - [ 0.0090900500000000, 0.0070772400000000, 0.0108517000000000 ] - [ 0.0002813500000000, 0.0013397000000000, 0.0046659100000000 ] - [ 0.0001793800000000, 0.0003123500000000, 0.0055245400000000 ] - [ -0.0002571800000000, -0.0018885200000000, 0.0035115900000000 ] - [ 0.0002693900000000, 0.0010262000000000, 0.0047898200000000 ] - [ 0.0000000000000000, -0.0916707600000000, -0.0227025800000000 ] - [ 0.0000000000000000, 0.0053630700000000, -0.0029482600000000 ] - [ 0.0000000000000000, 0.0053273100000000, -0.0047838800000000 ] - [ 0.0000000000000000, 0.0008133100000000, -0.0028250200000000 ] - [ 0.0000000000000000, 0.0028476900000000, -0.0037760000000000 ] - [ 0.0000000000000000, 0.0028517700000000, -0.0030637600000000 ] - [ 0.0001851100000000, -0.0008224600000000, 0.0000725800000000 ] - [ -0.0009776900000000, -0.0004019700000000, 0.0006002500000000 ] - [ 0.0000684300000000, -0.0001267900000000, 0.0001343100000000 ] - [ 0.0010057900000000, -0.0008698300000000, 0.0006977400000000 ] - [ -0.0004857500000000, -0.0004696200000000, -0.0001641400000000 ] - [ 0.0000630500000000, -0.0001210000000000, 0.0002387800000000 ] - [ 0.0036469000000000, -0.0027161900000000, 0.0015387700000000 ] - [ 0.0000382000000000, 0.0028239100000000, 0.0038186400000000 ] - [ 0.0000535200000000, 0.0031522800000000, 0.0028473400000000 ] - [ -0.0000697000000000, -0.0021924300000000, 0.0068115200000000 ] - [ 0.0001449000000000, 0.0024076600000000, 0.0037448700000000 ] - [ 0.0003369300000000, 0.0021548600000000, 0.0045298200000000 ] - [ 0.0000000000000000, -0.0074691500000000, -0.0065607600000000 ] - [ 0.0000000000000000, -0.0012037900000000, -0.0031697000000000 ] - [ 0.0000000000000000, -0.0011049200000000, -0.0042393800000000 ] - [ 0.0000000000000000, -0.0074454000000000, 0.0032682700000000 ] - [ 0.0000000000000000, -0.0011985500000000, -0.0057480800000000 ] - [ 0.0000000000000000, -0.0011045800000000, -0.0039130800000000 ] - [ -0.0036469000000000, -0.0027161900000000, 0.0015387700000000 ] - [ -0.0000382000000000, 0.0028239100000000, 0.0038186400000000 ] - [ -0.0000535200000000, 0.0031522800000000, 0.0028473400000000 ] - [ 0.0000697000000000, -0.0021924300000000, 0.0068115200000000 ] - [ -0.0001449000000000, 0.0024076600000000, 0.0037448700000000 ] - [ -0.0003369300000000, 0.0021548600000000, 0.0045298200000000 ] - [ -0.0045246200000000, 0.0010542800000000, 0.0001084600000000 ] - [ -0.0004429600000000, 0.0010746100000000, 0.0001347300000000 ] - [ 0.0008521300000000, 0.0006469900000000, -0.0001564000000000 ] - [ -0.0001562300000000, 0.0000621400000000, 0.0003404400000000 ] - [ -0.0003498700000000, 0.0008943700000000, 0.0001851000000000 ] - [ -0.0000721000000000, 0.0006560200000000, 0.0002634900000000 ] - [ -0.0001851100000000, -0.0008224600000000, 0.0000725800000000 ] - [ 0.0009776900000000, -0.0004019700000000, 0.0006002500000000 ] - [ -0.0000684300000000, -0.0001267900000000, 0.0001343100000000 ] - [ -0.0010057900000000, -0.0008698300000000, 0.0006977400000000 ] - [ 0.0004857500000000, -0.0004696200000000, -0.0001641400000000 ] - [ -0.0000630500000000, -0.0001210000000000, 0.0002387800000000 ] - [ -0.0080708600000000, -0.0033744800000000, 0.0072028900000000 ] - [ 0.0010273500000000, 0.0005244600000000, 0.0042250900000000 ] - [ 0.0001976600000000, 0.0013253000000000, 0.0055384600000000 ] - [ 0.0001022200000000, -0.0028330200000000, 0.0035043100000000 ] - [ -0.0001467400000000, 0.0007051100000000, 0.0063487400000000 ] - [ 0.0001190600000000, -0.0000309600000000, 0.0049145100000000 ] - [ 0.0028017200000000, -0.0005161900000000, -0.0001041500000000 ] - [ -0.0090900500000000, 0.0070772400000000, 0.0108517000000000 ] - [ -0.0002813500000000, 0.0013397000000000, 0.0046659100000000 ] - [ -0.0001793800000000, 0.0003123500000000, 0.0055245400000000 ] - [ 0.0002571800000000, -0.0018885200000000, 0.0035115900000000 ] - [ -0.0002693900000000, 0.0010262000000000, 0.0047898200000000 ]- atom: 79 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0006592300000000, -0.0004057600000000 ] - [ 0.0000000000000000, 0.0004565600000000, -0.0003017300000000 ] - [ 0.0000000000000000, 0.0007821700000000, -0.0002019800000000 ] - [ 0.0000000000000000, -0.0002299900000000, 0.0000342700000000 ] - [ 0.0000000000000000, 0.0000815000000000, -0.0000136700000000 ] - [ 0.0000000000000000, 0.0005736300000000, -0.0001142200000000 ] - [ 0.0000000000000000, -0.0009377300000000, 0.0001748200000000 ] - [ 0.0000000000000000, 0.0004081000000000, -0.0000902200000000 ] - [ 0.0000000000000000, 0.0000082300000000, -0.0003551300000000 ] - [ 0.0000000000000000, -0.0009674600000000, -0.0004631400000000 ] - [ 0.0000000000000000, 0.0003315700000000, -0.0001921700000000 ] - [ 0.0000000000000000, 0.0001948900000000, 0.0000951600000000 ] - [ -0.0009299900000000, -0.0029240600000000, -0.0109416800000000 ] - [ -0.0013708200000000, 0.0032612100000000, -0.0028456800000000 ] - [ -0.0008649000000000, 0.0027555200000000, -0.0078772000000000 ] - [ 0.0015198500000000, -0.0035898400000000, -0.0024203500000000 ] - [ -0.0009081500000000, 0.0014760800000000, -0.0102661000000000 ] - [ -0.0008528500000000, 0.0027779800000000, -0.0067148000000000 ] - [ 0.0101829400000000, -0.0142325600000000, -0.0098971000000000 ] - [ 0.0013330000000000, 0.0039155400000000, -0.0082887100000000 ] - [ -0.0013476700000000, 0.0057326800000000, -0.0113993500000000 ] - [ 0.0016337400000000, -0.0038678300000000, -0.0049557500000000 ] - [ 0.0008478600000000, 0.0031086200000000, -0.0075646700000000 ] - [ 0.0006646800000000, 0.0015304400000000, -0.0068432600000000 ] - [ -0.0101829400000000, -0.0142325600000000, -0.0098971000000000 ] - [ -0.0013330000000000, 0.0039155400000000, -0.0082887100000000 ] - [ 0.0013476700000000, 0.0057326800000000, -0.0113993500000000 ] - [ -0.0016337400000000, -0.0038678300000000, -0.0049557500000000 ] - [ -0.0008478600000000, 0.0031086200000000, -0.0075646700000000 ] - [ -0.0006646800000000, 0.0015304400000000, -0.0068432600000000 ] - [ 0.0009299900000000, -0.0029240600000000, -0.0109416800000000 ] - [ 0.0013708200000000, 0.0032612100000000, -0.0028456800000000 ] - [ 0.0008649000000000, 0.0027555200000000, -0.0078772000000000 ] - [ -0.0015198500000000, -0.0035898400000000, -0.0024203500000000 ] - [ 0.0009081500000000, 0.0014760800000000, -0.0102661000000000 ] - [ 0.0008528500000000, 0.0027779800000000, -0.0067148000000000 ] - [ 0.0000000000000000, -0.0556819200000000, -0.0007668700000000 ] - [ 0.0000000000000000, 0.0054849500000000, -0.0013274000000000 ] - [ 0.0000000000000000, -0.0023361400000000, 0.0022611600000000 ] - [ 0.0000000000000000, -0.0074519600000000, 0.0042262500000000 ] - [ 0.0000000000000000, -0.0052104200000000, 0.0031125100000000 ] - [ 0.0000000000000000, -0.0038051500000000, 0.0021241800000000 ] - [ 0.0000000000000000, -0.0089547900000000, 0.0001840000000000 ] - [ 0.0000000000000000, 0.0074649600000000, 0.0031741000000000 ] - [ 0.0000000000000000, 0.0062764100000000, 0.0000717400000000 ] - [ 0.0000000000000000, -0.0013230400000000, 0.0005073000000000 ] - [ 0.0000000000000000, 0.0074409800000000, 0.0022007900000000 ] - [ 0.0000000000000000, 0.0081397700000000, 0.0048125200000000 ] - [ -0.0082291300000000, 0.0013763900000000, 0.0017277500000000 ] - [ 0.0009541800000000, -0.0025918900000000, 0.0047263800000000 ] - [ 0.0001354800000000, -0.0033993800000000, 0.0034164600000000 ] - [ 0.0000402000000000, 0.0007795300000000, 0.0054519200000000 ] - [ -0.0002049800000000, -0.0027762400000000, 0.0026169700000000 ] - [ 0.0000592900000000, -0.0020308200000000, 0.0040462600000000 ] - [ 0.0019736200000000, 0.0009318100000000, 0.0009350600000000 ] - [ -0.0001111500000000, -0.0009796700000000, 0.0045549200000000 ] - [ -0.0000090100000000, 0.0009830400000000, 0.0041897700000000 ] - [ 0.0048683100000000, -0.0023829200000000, 0.0091532700000000 ] - [ -0.0003774400000000, -0.0013949000000000, 0.0047672200000000 ] - [ -0.0071765300000000, -0.0037302900000000, 0.0009743500000000 ] - [ -0.0043748400000000, 0.0000753800000000, 0.0002131400000000 ] - [ -0.0001897600000000, 0.0000282100000000, 0.0001846100000000 ] - [ 0.0011208100000000, 0.0004609100000000, 0.0004777400000000 ] - [ 0.0000917100000000, 0.0010434800000000, -0.0000271700000000 ] - [ -0.0000967800000000, 0.0002079200000000, 0.0001321000000000 ] - [ 0.0001768000000000, 0.0004494100000000, 0.0000517400000000 ] - [ -0.0019736200000000, 0.0009318100000000, 0.0009350600000000 ] - [ 0.0001111500000000, -0.0009796700000000, 0.0045549200000000 ] - [ 0.0000090100000000, 0.0009830400000000, 0.0041897700000000 ] - [ -0.0048683100000000, -0.0023829200000000, 0.0091532700000000 ] - [ 0.0003774400000000, -0.0013949000000000, 0.0047672200000000 ] - [ 0.0071765300000000, -0.0037302900000000, 0.0009743500000000 ] - [ 0.0030835200000000, -0.0005123900000000, 0.0081037900000000 ] - [ -0.0086862800000000, -0.0080478000000000, -0.0028205100000000 ] - [ -0.0000173500000000, -0.0024050200000000, 0.0032896200000000 ] - [ 0.0000851400000000, -0.0013741700000000, 0.0024138900000000 ] - [ 0.0005213300000000, 0.0008192000000000, 0.0044261700000000 ] - [ -0.0000087900000000, -0.0020947800000000, 0.0031547400000000 ] - [ 0.0000000000000000, 0.0989742000000000, 0.0158975100000000 ] - [ 0.0000000000000000, -0.0010787200000000, -0.0048586400000000 ] - [ 0.0000000000000000, -0.0011135000000000, -0.0030287400000000 ] - [ 0.0000000000000000, 0.0034432800000000, -0.0050122200000000 ] - [ 0.0000000000000000, 0.0013886100000000, -0.0040537700000000 ] - [ 0.0000000000000000, 0.0013926400000000, -0.0047721300000000 ] - [ -0.0004288300000000, -0.0002686200000000, 0.0002417400000000 ] - [ 0.0007158900000000, -0.0007063700000000, -0.0002786200000000 ] - [ -0.0003181500000000, -0.0009771900000000, 0.0001844500000000 ] - [ -0.0012649300000000, -0.0002308800000000, -0.0003822500000000 ] - [ 0.0002311100000000, -0.0006373100000000, 0.0004808900000000 ] - [ -0.0003170600000000, -0.0009839900000000, 0.0000770700000000 ] - [ -0.0036454500000000, 0.0048612300000000, 0.0073649300000000 ] - [ -0.0001017700000000, -0.0007690900000000, 0.0051497100000000 ] - [ -0.0001141000000000, -0.0010963500000000, 0.0061263800000000 ] - [ 0.0000071900000000, 0.0042778000000000, 0.0021286800000000 ] - [ -0.0002086700000000, -0.0003494300000000, 0.0052174200000000 ] - [ -0.0004009300000000, -0.0000903400000000, 0.0044229800000000 ] - [ 0.0000000000000000, 0.0032311600000000, -0.0012493600000000 ] - [ 0.0000000000000000, -0.0030577300000000, -0.0046529000000000 ] - [ 0.0000000000000000, -0.0031426500000000, -0.0035834100000000 ] - [ 0.0000000000000000, 0.0032549700000000, -0.0111822300000000 ] - [ 0.0000000000000000, -0.0030523400000000, -0.0020933800000000 ] - [ 0.0000000000000000, -0.0031423100000000, -0.0039150700000000 ] - [ 0.0036454500000000, 0.0048612300000000, 0.0073649300000000 ] - [ 0.0001017700000000, -0.0007690900000000, 0.0051497100000000 ] - [ 0.0001141000000000, -0.0010963500000000, 0.0061263800000000 ] - [ -0.0000071900000000, 0.0042778000000000, 0.0021286800000000 ] - [ 0.0002086700000000, -0.0003494300000000, 0.0052174200000000 ] - [ 0.0004009300000000, -0.0000903400000000, 0.0044229800000000 ] - [ 0.0043748400000000, 0.0000753800000000, 0.0002131400000000 ] - [ 0.0001897600000000, 0.0000282100000000, 0.0001846100000000 ] - [ -0.0011208100000000, 0.0004609100000000, 0.0004777400000000 ] - [ -0.0000917100000000, 0.0010434800000000, -0.0000271700000000 ] - [ 0.0000967800000000, 0.0002079200000000, 0.0001321000000000 ] - [ -0.0001768000000000, 0.0004494100000000, 0.0000517400000000 ] - [ 0.0004288300000000, -0.0002686200000000, 0.0002417400000000 ] - [ -0.0007158900000000, -0.0007063700000000, -0.0002786200000000 ] - [ 0.0003181500000000, -0.0009771900000000, 0.0001844500000000 ] - [ 0.0012649300000000, -0.0002308800000000, -0.0003822500000000 ] - [ -0.0002311100000000, -0.0006373100000000, 0.0004808900000000 ] - [ 0.0003170600000000, -0.0009839900000000, 0.0000770700000000 ] - [ 0.0082291300000000, 0.0013763900000000, 0.0017277500000000 ] - [ -0.0009541800000000, -0.0025918900000000, 0.0047263800000000 ] - [ -0.0001354800000000, -0.0033993800000000, 0.0034164600000000 ] - [ -0.0000402000000000, 0.0007795300000000, 0.0054519200000000 ] - [ 0.0002049800000000, -0.0027762400000000, 0.0026169700000000 ] - [ -0.0000592900000000, -0.0020308200000000, 0.0040462600000000 ] - [ -0.0030835200000000, -0.0005123900000000, 0.0081037900000000 ] - [ 0.0086862800000000, -0.0080478000000000, -0.0028205100000000 ] - [ 0.0000173500000000, -0.0024050200000000, 0.0032896200000000 ] - [ -0.0000851400000000, -0.0013741700000000, 0.0024138900000000 ] - [ -0.0005213300000000, 0.0008192000000000, 0.0044261700000000 ] - [ 0.0000087900000000, -0.0020947800000000, 0.0031547400000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000420700000000, 0.0005692200000000 ] - [ 0.0000000000000000, 0.0004749500000000, 0.0002796400000000 ] - [ 0.0000000000000000, 0.0000173900000000, -0.0000674200000000 ] - [ 0.0000000000000000, 0.0003470900000000, -0.0006988900000000 ] - [ 0.0000000000000000, -0.0000313400000000, -0.0005531400000000 ] - [ 0.0000000000000000, 0.0000698300000000, -0.0002253900000000 ] - [ 0.0000000000000000, -0.0002039300000000, 0.0003067600000000 ] - [ 0.0000000000000000, -0.0003695100000000, -0.0000772300000000 ] - [ 0.0000000000000000, 0.0000846800000000, 0.0000035900000000 ] - [ 0.0000000000000000, 0.0000430200000000, -0.0007365000000000 ] - [ 0.0000000000000000, -0.0001084700000000, -0.0002233700000000 ] - [ 0.0000000000000000, -0.0003951000000000, -0.0002978900000000 ] - [ 0.0011475000000000, 0.0072956500000000, -0.0081410600000000 ] - [ 0.0001234100000000, -0.0052129600000000, -0.0065418100000000 ] - [ -0.0008125100000000, -0.0009489500000000, -0.0073995600000000 ] - [ -0.0020537200000000, -0.0026026400000000, -0.0140418300000000 ] - [ -0.0006821600000000, 0.0028016900000000, -0.0103118600000000 ] - [ -0.0008416900000000, -0.0008593900000000, -0.0081844600000000 ] - [ 0.0089677300000000, 0.0038707800000000, 0.0056896400000000 ] - [ 0.0010184300000000, 0.0000707600000000, -0.0062334600000000 ] - [ 0.0015057400000000, -0.0013394600000000, -0.0056689400000000 ] - [ -0.0003812600000000, 0.0029395400000000, -0.0154547600000000 ] - [ 0.0007505100000000, -0.0007474900000000, -0.0090825700000000 ] - [ 0.0007821900000000, 0.0004773300000000, -0.0093757600000000 ] - [ -0.0089677300000000, 0.0038707800000000, 0.0056896400000000 ] - [ -0.0010184300000000, 0.0000707600000000, -0.0062334600000000 ] - [ -0.0015057400000000, -0.0013394600000000, -0.0056689400000000 ] - [ 0.0003812600000000, 0.0029395400000000, -0.0154547600000000 ] - [ -0.0007505100000000, -0.0007474900000000, -0.0090825700000000 ] - [ -0.0007821900000000, 0.0004773300000000, -0.0093757600000000 ] - [ -0.0011475000000000, 0.0072956500000000, -0.0081410600000000 ] - [ -0.0001234100000000, -0.0052129600000000, -0.0065418100000000 ] - [ 0.0008125100000000, -0.0009489500000000, -0.0073995600000000 ] - [ 0.0020537200000000, -0.0026026400000000, -0.0140418300000000 ] - [ 0.0006821600000000, 0.0028016900000000, -0.0103118600000000 ] - [ 0.0008416900000000, -0.0008593900000000, -0.0081844600000000 ] - [ 0.0000000000000000, -0.0106433100000000, 0.0134860300000000 ] - [ 0.0000000000000000, -0.0019537600000000, 0.0052032200000000 ] - [ 0.0000000000000000, -0.0059486000000000, 0.0023007200000000 ] - [ 0.0000000000000000, -0.0036584600000000, -0.0030900900000000 ] - [ 0.0000000000000000, -0.0075855000000000, -0.0003643000000000 ] - [ 0.0000000000000000, -0.0057581300000000, 0.0020190100000000 ] - [ 0.0000000000000000, 0.0104271200000000, 0.0583848200000000 ] - [ 0.0000000000000000, 0.0042458600000000, 0.0029804100000000 ] - [ 0.0000000000000000, 0.0063976600000000, 0.0035559700000000 ] - [ 0.0000000000000000, 0.0059446400000000, -0.0117137100000000 ] - [ 0.0000000000000000, 0.0056095300000000, 0.0016541400000000 ] - [ 0.0000000000000000, 0.0040242700000000, 0.0010576200000000 ] - [ 0.0101619300000000, 0.0044581600000000, 0.0075270600000000 ] - [ 0.0000791400000000, -0.0019404500000000, 0.0038629600000000 ] - [ -0.0000293100000000, -0.0004523300000000, 0.0046970000000000 ] - [ -0.0002926100000000, -0.0013882200000000, 0.0054708500000000 ] - [ -0.0000358100000000, 0.0008782100000000, 0.0057202700000000 ] - [ -0.0000757700000000, -0.0009234100000000, 0.0045753100000000 ] - [ -0.0078147400000000, 0.0045187900000000, 0.0100114400000000 ] - [ -0.0002041900000000, 0.0009062600000000, 0.0039143200000000 ] - [ -0.0003155500000000, -0.0012411400000000, 0.0053607100000000 ] - [ 0.0053621700000000, -0.0057815400000000, 0.0084117300000000 ] - [ 0.0000318500000000, 0.0008576000000000, 0.0038164100000000 ] - [ 0.0015732900000000, 0.0027013300000000, 0.0043354400000000 ] - [ -0.0033288500000000, 0.0001450600000000, 0.0006863400000000 ] - [ 0.0001464600000000, 0.0005672500000000, 0.0000091700000000 ] - [ -0.0001052100000000, 0.0006479700000000, -0.0000598400000000 ] - [ 0.0008912700000000, 0.0002876800000000, 0.0007785600000000 ] - [ 0.0002228700000000, 0.0006755100000000, 0.0002836900000000 ] - [ 0.0001489300000000, 0.0005140800000000, 0.0003595000000000 ] - [ 0.0078147400000000, 0.0045187900000000, 0.0100114400000000 ] - [ 0.0002041900000000, 0.0009062600000000, 0.0039143200000000 ] - [ 0.0003155500000000, -0.0012411400000000, 0.0053607100000000 ] - [ -0.0053621700000000, -0.0057815400000000, 0.0084117300000000 ] - [ -0.0000318500000000, 0.0008576000000000, 0.0038164100000000 ] - [ -0.0015732900000000, 0.0027013300000000, 0.0043354400000000 ] - [ -0.0020771700000000, -0.0014405700000000, 0.0001169500000000 ] - [ 0.0039530400000000, 0.0023306700000000, 0.0027697300000000 ] - [ 0.0001994800000000, -0.0002241000000000, 0.0036712300000000 ] - [ 0.0006913000000000, 0.0006323200000000, 0.0061866000000000 ] - [ -0.0004649000000000, -0.0001367900000000, 0.0066284800000000 ] - [ 0.0000773800000000, -0.0001920900000000, 0.0044831500000000 ] - [ 0.0000000000000000, -0.0174899700000000, -0.1093628700000000 ] - [ 0.0000000000000000, 0.0012383200000000, -0.0045845400000000 ] - [ 0.0000000000000000, 0.0030836200000000, -0.0045850800000000 ] - [ 0.0000000000000000, 0.0032029100000000, 0.0023798600000000 ] - [ 0.0000000000000000, 0.0029796300000000, -0.0032822000000000 ] - [ 0.0000000000000000, 0.0022599100000000, -0.0032821800000000 ] - [ -0.0014186000000000, -0.0015489400000000, 0.0001284100000000 ] - [ -0.0008424500000000, -0.0002947600000000, -0.0000222700000000 ] - [ -0.0000392400000000, -0.0004808400000000, 0.0001297900000000 ] - [ 0.0007529200000000, -0.0002286100000000, 0.0009912200000000 ] - [ 0.0001700600000000, -0.0008525800000000, 0.0004370300000000 ] - [ -0.0001111600000000, -0.0004722800000000, 0.0002055500000000 ] - [ -0.0105833800000000, -0.0031709100000000, 0.0078949100000000 ] - [ 0.0001823500000000, 0.0027161700000000, 0.0033137000000000 ] - [ -0.0001545300000000, 0.0015427000000000, 0.0037796000000000 ] - [ 0.0006438800000000, -0.0004941600000000, 0.0077200900000000 ] - [ -0.0002923100000000, -0.0001286800000000, 0.0055393300000000 ] - [ 0.0001807600000000, 0.0011160800000000, 0.0049000300000000 ] - [ 0.0000000000000000, -0.0093743100000000, -0.0016175500000000 ] - [ 0.0000000000000000, -0.0002849700000000, -0.0038648900000000 ] - [ 0.0000000000000000, -0.0021216100000000, -0.0039210500000000 ] - [ 0.0000000000000000, 0.0004780500000000, -0.0016330900000000 ] - [ 0.0000000000000000, -0.0028631100000000, -0.0038562000000000 ] - [ 0.0000000000000000, -0.0017929000000000, -0.0039194400000000 ] - [ 0.0105833800000000, -0.0031709100000000, 0.0078949100000000 ] - [ -0.0001823500000000, 0.0027161700000000, 0.0033137000000000 ] - [ 0.0001545300000000, 0.0015427000000000, 0.0037796000000000 ] - [ -0.0006438800000000, -0.0004941600000000, 0.0077200900000000 ] - [ 0.0002923100000000, -0.0001286800000000, 0.0055393300000000 ] - [ -0.0001807600000000, 0.0011160800000000, 0.0049000300000000 ] - [ 0.0033288500000000, 0.0001450600000000, 0.0006863400000000 ] - [ -0.0001464600000000, 0.0005672500000000, 0.0000091700000000 ] - [ 0.0001052100000000, 0.0006479700000000, -0.0000598400000000 ] - [ -0.0008912700000000, 0.0002876800000000, 0.0007785600000000 ] - [ -0.0002228700000000, 0.0006755100000000, 0.0002836900000000 ] - [ -0.0001489300000000, 0.0005140800000000, 0.0003595000000000 ] - [ 0.0014186000000000, -0.0015489400000000, 0.0001284100000000 ] - [ 0.0008424500000000, -0.0002947600000000, -0.0000222700000000 ] - [ 0.0000392400000000, -0.0004808400000000, 0.0001297900000000 ] - [ -0.0007529200000000, -0.0002286100000000, 0.0009912200000000 ] - [ -0.0001700600000000, -0.0008525800000000, 0.0004370300000000 ] - [ 0.0001111600000000, -0.0004722800000000, 0.0002055500000000 ] - [ -0.0101619300000000, 0.0044581600000000, 0.0075270600000000 ] - [ -0.0000791400000000, -0.0019404500000000, 0.0038629600000000 ] - [ 0.0000293100000000, -0.0004523300000000, 0.0046970000000000 ] - [ 0.0002926100000000, -0.0013882200000000, 0.0054708500000000 ] - [ 0.0000358100000000, 0.0008782100000000, 0.0057202700000000 ] - [ 0.0000757700000000, -0.0009234100000000, 0.0045753100000000 ] - [ 0.0020771700000000, -0.0014405700000000, 0.0001169500000000 ] - [ -0.0039530400000000, 0.0023306700000000, 0.0027697300000000 ] - [ -0.0001994800000000, -0.0002241000000000, 0.0036712300000000 ] - [ -0.0006913000000000, 0.0006323200000000, 0.0061866000000000 ] - [ 0.0004649000000000, -0.0001367900000000, 0.0066284800000000 ] - [ -0.0000773800000000, -0.0001920900000000, 0.0044831500000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0003151600000000, -0.0008648200000000 ] - [ 0.0000000000000000, -0.0001827700000000, -0.0005742300000000 ] - [ 0.0000000000000000, 0.0002658300000000, -0.0002298400000000 ] - [ 0.0000000000000000, -0.0000603000000000, 0.0003986800000000 ] - [ 0.0000000000000000, 0.0003115000000000, 0.0002533300000000 ] - [ 0.0000000000000000, 0.0002097600000000, -0.0000715700000000 ] - [ 0.0000000000000000, -0.0000768500000000, -0.0005899200000000 ] - [ 0.0000000000000000, 0.0000835800000000, -0.0002157400000000 ] - [ 0.0000000000000000, -0.0003656200000000, -0.0002996700000000 ] - [ 0.0000000000000000, -0.0003236500000000, 0.0004258900000000 ] - [ 0.0000000000000000, -0.0001738700000000, -0.0000777600000000 ] - [ 0.0000000000000000, 0.0001117400000000, 0.0000014600000000 ] - [ -0.0027901800000000, -0.0079254900000000, -0.0072091700000000 ] - [ -0.0017821400000000, 0.0045355500000000, -0.0088135700000000 ] - [ -0.0008528700000000, 0.0002932600000000, -0.0079811100000000 ] - [ 0.0004115800000000, 0.0019889300000000, -0.0013946300000000 ] - [ -0.0009843900000000, -0.0034597200000000, -0.0050928300000000 ] - [ -0.0008262300000000, 0.0002033500000000, -0.0072109000000000 ] - [ -0.0071954100000000, -0.0031795200000000, -0.0210225600000000 ] - [ 0.0006513700000000, 0.0005720100000000, -0.0091482000000000 ] - [ 0.0001795000000000, 0.0019589400000000, -0.0096902100000000 ] - [ 0.0020131200000000, -0.0022782300000000, 0.0000330900000000 ] - [ 0.0009196700000000, 0.0013839900000000, -0.0063054600000000 ] - [ 0.0008833800000000, 0.0001774900000000, -0.0060185800000000 ] - [ 0.0071954100000000, -0.0031795200000000, -0.0210225600000000 ] - [ -0.0006513700000000, 0.0005720100000000, -0.0091482000000000 ] - [ -0.0001795000000000, 0.0019589400000000, -0.0096902100000000 ] - [ -0.0020131200000000, -0.0022782300000000, 0.0000330900000000 ] - [ -0.0009196700000000, 0.0013839900000000, -0.0063054600000000 ] - [ -0.0008833800000000, 0.0001774900000000, -0.0060185800000000 ] - [ 0.0027901800000000, -0.0079254900000000, -0.0072091700000000 ] - [ 0.0017821400000000, 0.0045355500000000, -0.0088135700000000 ] - [ 0.0008528700000000, 0.0002932600000000, -0.0079811100000000 ] - [ -0.0004115800000000, 0.0019889300000000, -0.0013946300000000 ] - [ 0.0009843900000000, -0.0034597200000000, -0.0050928300000000 ] - [ 0.0008262300000000, 0.0002033500000000, -0.0072109000000000 ] - [ 0.0000000000000000, -0.0002537500000000, -0.0091348000000000 ] - [ 0.0000000000000000, -0.0088124100000000, -0.0007757200000000 ] - [ 0.0000000000000000, -0.0048801500000000, 0.0021386400000000 ] - [ 0.0000000000000000, -0.0071125800000000, 0.0075038100000000 ] - [ 0.0000000000000000, -0.0032686200000000, 0.0047946600000000 ] - [ 0.0000000000000000, -0.0050650400000000, 0.0024236300000000 ] - [ 0.0000000000000000, 0.0010206200000000, -0.0500763100000000 ] - [ 0.0000000000000000, 0.0065667700000000, 0.0014692800000000 ] - [ 0.0000000000000000, 0.0044284800000000, 0.0009016500000000 ] - [ 0.0000000000000000, 0.0048809500000000, 0.0162567700000000 ] - [ 0.0000000000000000, 0.0052076500000000, 0.0027830100000000 ] - [ 0.0000000000000000, 0.0067912000000000, 0.0033638500000000 ] - [ -0.0102662300000000, -0.0065434300000000, 0.0014933700000000 ] - [ -0.0001356200000000, -0.0001227000000000, 0.0051038000000000 ] - [ -0.0000330700000000, -0.0016015000000000, 0.0042686500000000 ] - [ 0.0002169300000000, -0.0006874900000000, 0.0034785600000000 ] - [ -0.0000280300000000, -0.0029305000000000, 0.0032401800000000 ] - [ 0.0000160900000000, -0.0011401400000000, 0.0043834400000000 ] - [ 0.0074769000000000, -0.0034093400000000, -0.0020258000000000 ] - [ -0.0000574100000000, 0.0001631300000000, 0.0040296300000000 ] - [ 0.0000458600000000, 0.0022908900000000, 0.0025925800000000 ] - [ -0.0056781800000000, 0.0068872000000000, -0.0004554400000000 ] - [ -0.0002925100000000, 0.0002098500000000, 0.0041341100000000 ] - [ -0.0017856800000000, -0.0016093500000000, 0.0036401600000000 ] - [ 0.0034838800000000, 0.0009493600000000, -0.0003918300000000 ] - [ 0.0001027800000000, 0.0005370900000000, 0.0003084200000000 ] - [ 0.0003563900000000, 0.0004574500000000, 0.0003743500000000 ] - [ -0.0006253700000000, 0.0008136300000000, -0.0004597700000000 ] - [ 0.0000313200000000, 0.0004303600000000, 0.0000336700000000 ] - [ 0.0000958300000000, 0.0005887000000000, -0.0000419600000000 ] - [ -0.0074769000000000, -0.0034093400000000, -0.0020258000000000 ] - [ 0.0000574100000000, 0.0001631300000000, 0.0040296300000000 ] - [ -0.0000458600000000, 0.0022908900000000, 0.0025925800000000 ] - [ 0.0056781800000000, 0.0068872000000000, -0.0004554400000000 ] - [ 0.0002925100000000, 0.0002098500000000, 0.0041341100000000 ] - [ 0.0017856800000000, -0.0016093500000000, 0.0036401600000000 ] - [ 0.0023303400000000, 0.0003751400000000, 0.0078109400000000 ] - [ -0.0036635400000000, -0.0033898000000000, 0.0051229900000000 ] - [ 0.0000616000000000, -0.0008361600000000, 0.0042786000000000 ] - [ -0.0004175900000000, -0.0017004600000000, 0.0017743700000000 ] - [ 0.0007382200000000, -0.0009122000000000, 0.0013294100000000 ] - [ 0.0001842900000000, -0.0008637900000000, 0.0034707700000000 ] - [ 0.0000000000000000, 0.0211005000000000, 0.0975636200000000 ] - [ 0.0000000000000000, 0.0029954800000000, -0.0032460700000000 ] - [ 0.0000000000000000, 0.0011750700000000, -0.0032462900000000 ] - [ 0.0000000000000000, 0.0010174800000000, -0.0102087600000000 ] - [ 0.0000000000000000, 0.0012729100000000, -0.0045400100000000 ] - [ 0.0000000000000000, 0.0019848500000000, -0.0045401200000000 ] - [ 0.0011628300000000, 0.0004407000000000, 0.0001882100000000 ] - [ 0.0005810100000000, -0.0008110700000000, 0.0003360100000000 ] - [ -0.0002075000000000, -0.0006218300000000, 0.0001877100000000 ] - [ -0.0010029900000000, -0.0008784100000000, -0.0006707000000000 ] - [ -0.0004243300000000, -0.0002526100000000, -0.0001174600000000 ] - [ -0.0001380500000000, -0.0006305200000000, 0.0001121200000000 ] - [ 0.0104233900000000, 0.0052076300000000, 0.0010405000000000 ] - [ -0.0002420200000000, -0.0006403100000000, 0.0056398900000000 ] - [ 0.0000930900000000, 0.0005280700000000, 0.0051731300000000 ] - [ -0.0007172900000000, 0.0025317800000000, 0.0012641300000000 ] - [ 0.0002322400000000, 0.0021986700000000, 0.0034218400000000 ] - [ -0.0002408600000000, 0.0009479900000000, 0.0040623900000000 ] - [ 0.0000000000000000, 0.0050739500000000, -0.0061938500000000 ] - [ 0.0000000000000000, -0.0039420600000000, -0.0039690500000000 ] - [ 0.0000000000000000, -0.0021216700000000, -0.0039055000000000 ] - [ 0.0000000000000000, -0.0048338200000000, -0.0062087300000000 ] - [ 0.0000000000000000, -0.0013823800000000, -0.0039594100000000 ] - [ 0.0000000000000000, -0.0024511200000000, -0.0039038000000000 ] - [ -0.0104233900000000, 0.0052076300000000, 0.0010405000000000 ] - [ 0.0002420200000000, -0.0006403100000000, 0.0056398900000000 ] - [ -0.0000930900000000, 0.0005280700000000, 0.0051731300000000 ] - [ 0.0007172900000000, 0.0025317800000000, 0.0012641300000000 ] - [ -0.0002322400000000, 0.0021986700000000, 0.0034218400000000 ] - [ 0.0002408600000000, 0.0009479900000000, 0.0040623900000000 ] - [ -0.0034838800000000, 0.0009493600000000, -0.0003918300000000 ] - [ -0.0001027800000000, 0.0005370900000000, 0.0003084200000000 ] - [ -0.0003563900000000, 0.0004574500000000, 0.0003743500000000 ] - [ 0.0006253700000000, 0.0008136300000000, -0.0004597700000000 ] - [ -0.0000313200000000, 0.0004303600000000, 0.0000336700000000 ] - [ -0.0000958300000000, 0.0005887000000000, -0.0000419600000000 ] - [ -0.0011628300000000, 0.0004407000000000, 0.0001882100000000 ] - [ -0.0005810100000000, -0.0008110700000000, 0.0003360100000000 ] - [ 0.0002075000000000, -0.0006218300000000, 0.0001877100000000 ] - [ 0.0010029900000000, -0.0008784100000000, -0.0006707000000000 ] - [ 0.0004243300000000, -0.0002526100000000, -0.0001174600000000 ] - [ 0.0001380500000000, -0.0006305200000000, 0.0001121200000000 ] - [ 0.0102662300000000, -0.0065434300000000, 0.0014933700000000 ] - [ 0.0001356200000000, -0.0001227000000000, 0.0051038000000000 ] - [ 0.0000330700000000, -0.0016015000000000, 0.0042686500000000 ] - [ -0.0002169300000000, -0.0006874900000000, 0.0034785600000000 ] - [ 0.0000280300000000, -0.0029305000000000, 0.0032401800000000 ] - [ -0.0000160900000000, -0.0011401400000000, 0.0043834400000000 ] - [ -0.0023303400000000, 0.0003751400000000, 0.0078109400000000 ] - [ 0.0036635400000000, -0.0033898000000000, 0.0051229900000000 ] - [ -0.0000616000000000, -0.0008361600000000, 0.0042786000000000 ] - [ 0.0004175900000000, -0.0017004600000000, 0.0017743700000000 ] - [ -0.0007382200000000, -0.0009122000000000, 0.0013294100000000 ] - [ -0.0001842900000000, -0.0008637900000000, 0.0034707700000000 ]