# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/655dc005-1fb6-4824-8882-318b8bbe41ed/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 CrPS4 / C2/m (12) / materials id 542096](https://mdr.nims.go.jp/datasets/c5f6deea-6704-4e1f-b105-29f4ad1bf247) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "C2/m" number: 12 Hall_symbol: "-C 2y"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 5.772754620000000, -3.175051810000000, 0.275784520000000 ] # a - [ 5.772754620000000, 3.175051810000000, 0.275784520000000 ] # b - [ 0.045661740000000, 0.000000000000000, 5.689268150000000 ] # c points: - symbol: Cr # 1 coordinates: [ 0.794079310000000, 0.205920690000000, 0.500000000000000 ] mass: 51.996100 - symbol: Cr # 2 coordinates: [ 0.205920690000000, 0.794079310000000, 0.500000000000000 ] mass: 51.996100 - symbol: P # 3 coordinates: [ 0.262906540000000, 0.262906540000000, 0.500267600000000 ] mass: 30.973762 - symbol: P # 4 coordinates: [ 0.737093460000000, 0.737093460000000, 0.499732400000000 ] mass: 30.973762 - symbol: S # 5 coordinates: [ 0.924990010000000, 0.408263130000000, 0.275063520000000 ] mass: 32.065000 - symbol: S # 6 coordinates: [ 0.591736870000000, 0.075009990000000, 0.724936480000000 ] mass: 32.065000 - symbol: S # 7 coordinates: [ 0.075009990000000, 0.591736870000000, 0.724936480000000 ] mass: 32.065000 - symbol: S # 8 coordinates: [ 0.408263130000000, 0.924990010000000, 0.275063520000000 ] mass: 32.065000 - symbol: S # 9 coordinates: [ 0.094416790000000, 0.094416790000000, 0.738342870000000 ] mass: 32.065000 - symbol: S # 10 coordinates: [ 0.905583210000000, 0.905583210000000, 0.261657130000000 ] mass: 32.065000 - symbol: S # 11 coordinates: [ 0.574529500000000, 0.574529500000000, 0.716208240000000 ] mass: 32.065000 - symbol: S # 12 coordinates: [ 0.425470500000000, 0.425470500000000, 0.283791760000000 ] mass: 32.065000 reciprocal_lattice: # without 2pi - [ 0.086646985716201, -0.157477745221424, -0.000695423739793 ] # a* - [ 0.086646985716201, 0.157477745221424, -0.000695423739793 ] # b* - [ -0.008400341391955, 0.000000000000000, 0.175836952632396 ] # c*unit_cell: lattice: - [ 11.545509239999999, 0.000000000000000, 0.551569040000000 ] # a - [ 0.000000000000000, 6.350103620000000, 0.000000000000000 ] # b - [ 0.045661740000000, 0.000000000000000, 5.689268150000000 ] # c points: - symbol: Cr # 1 coordinates: [ 0.000000000000000, 0.205920690000000, 0.500000000000000 ] mass: 51.996100 reduced_to: 1 - symbol: Cr # 2 coordinates: [ 0.000000000000000, 0.794079310000000, 0.500000000000000 ] mass: 51.996100 reduced_to: 2 - symbol: Cr # 3 coordinates: [ 0.500000000000000, 0.705920690000000, 0.500000000000000 ] mass: 51.996100 reduced_to: 1 - symbol: Cr # 4 coordinates: [ 0.500000000000000, 0.294079310000000, 0.500000000000000 ] mass: 51.996100 reduced_to: 2 - symbol: P # 5 coordinates: [ 0.762906540000000, 0.500000000000000, 0.500267600000000 ] mass: 30.973762 reduced_to: 5 - symbol: P # 6 coordinates: [ 0.237093460000000, 0.500000000000000, 0.499732400000000 ] mass: 30.973762 reduced_to: 6 - symbol: P # 7 coordinates: [ 0.262906540000000, 0.000000000000000, 0.500267600000000 ] mass: 30.973762 reduced_to: 5 - symbol: P # 8 coordinates: [ 0.737093460000000, 0.000000000000000, 0.499732400000000 ] mass: 30.973762 reduced_to: 6 - symbol: S # 9 coordinates: [ 0.166626570000000, 0.241636560000000, 0.275063520000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 10 coordinates: [ 0.833373430000000, 0.241636560000000, 0.724936480000000 ] mass: 32.065000 reduced_to: 10 - symbol: S # 11 coordinates: [ 0.833373430000000, 0.758363440000000, 0.724936480000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 12 coordinates: [ 0.166626570000000, 0.758363440000000, 0.275063520000000 ] mass: 32.065000 reduced_to: 12 - symbol: S # 13 coordinates: [ 0.594416790000000, 0.500000000000000, 0.738342870000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 14 coordinates: [ 0.405583210000000, 0.500000000000000, 0.261657130000000 ] mass: 32.065000 reduced_to: 14 - symbol: S # 15 coordinates: [ 0.074529500000000, 0.500000000000000, 0.716208240000000 ] mass: 32.065000 reduced_to: 15 - symbol: S # 16 coordinates: [ 0.925470500000000, 0.500000000000000, 0.283791760000000 ] mass: 32.065000 reduced_to: 16 - symbol: S # 17 coordinates: [ 0.666626570000000, 0.741636560000000, 0.275063520000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 18 coordinates: [ 0.333373430000000, 0.741636560000000, 0.724936480000000 ] mass: 32.065000 reduced_to: 10 - symbol: S # 19 coordinates: [ 0.333373430000000, 0.258363440000000, 0.724936480000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 20 coordinates: [ 0.666626570000000, 0.258363440000000, 0.275063520000000 ] mass: 32.065000 reduced_to: 12 - symbol: S # 21 coordinates: [ 0.094416790000000, 0.000000000000000, 0.738342870000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 22 coordinates: [ 0.905583210000000, 0.000000000000000, 0.261657130000000 ] mass: 32.065000 reduced_to: 14 - symbol: S # 23 coordinates: [ 0.574529500000000, 0.000000000000000, 0.716208240000000 ] mass: 32.065000 reduced_to: 15 - symbol: S # 24 coordinates: [ 0.425470500000000, 0.000000000000000, 0.283791760000000 ] mass: 32.065000 reduced_to: 16supercell: lattice: - [ 11.545509239999999, 0.000000000000000, 0.551569040000000 ] # a - [ 0.000000000000000, 12.700207239999999, 0.000000000000000 ] # b - [ 0.091323480000000, 0.000000000000000, 11.378536300000000 ] # c points: - symbol: Cr # 1 coordinates: [ 0.000000000000000, 0.102960345000000, 0.250000000000000 ] mass: 51.996100 reduced_to: 1 - symbol: Cr # 2 coordinates: [ 0.000000000000000, 0.602960345000000, 0.250000000000000 ] mass: 51.996100 reduced_to: 1 - symbol: Cr # 3 coordinates: [ 0.000000000000000, 0.102960345000000, 0.750000000000000 ] mass: 51.996100 reduced_to: 1 - symbol: Cr # 4 coordinates: [ 0.000000000000000, 0.602960345000000, 0.750000000000000 ] mass: 51.996100 reduced_to: 1 - symbol: Cr # 5 coordinates: [ 0.000000000000000, 0.397039655000000, 0.250000000000000 ] mass: 51.996100 reduced_to: 5 - symbol: Cr # 6 coordinates: [ 0.000000000000000, 0.897039655000000, 0.250000000000000 ] mass: 51.996100 reduced_to: 5 - symbol: Cr # 7 coordinates: [ 0.000000000000000, 0.397039655000000, 0.750000000000000 ] mass: 51.996100 reduced_to: 5 - symbol: Cr # 8 coordinates: [ 0.000000000000000, 0.897039655000000, 0.750000000000000 ] mass: 51.996100 reduced_to: 5 - symbol: Cr # 9 coordinates: [ 0.500000000000000, 0.352960345000000, 0.250000000000000 ] mass: 51.996100 reduced_to: 1 - symbol: Cr # 10 coordinates: [ 0.500000000000000, 0.852960345000000, 0.250000000000000 ] mass: 51.996100 reduced_to: 1 - symbol: Cr # 11 coordinates: [ 0.500000000000000, 0.352960345000000, 0.750000000000000 ] mass: 51.996100 reduced_to: 1 - symbol: Cr # 12 coordinates: [ 0.500000000000000, 0.852960345000000, 0.750000000000000 ] mass: 51.996100 reduced_to: 1 - symbol: Cr # 13 coordinates: [ 0.500000000000000, 0.147039655000000, 0.250000000000000 ] mass: 51.996100 reduced_to: 5 - symbol: Cr # 14 coordinates: [ 0.500000000000000, 0.647039655000000, 0.250000000000000 ] mass: 51.996100 reduced_to: 5 - symbol: Cr # 15 coordinates: [ 0.500000000000000, 0.147039655000000, 0.750000000000000 ] mass: 51.996100 reduced_to: 5 - symbol: Cr # 16 coordinates: [ 0.500000000000000, 0.647039655000000, 0.750000000000000 ] mass: 51.996100 reduced_to: 5 - symbol: P # 17 coordinates: [ 0.762906540000000, 0.250000000000000, 0.250133800000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 18 coordinates: [ 0.762906540000000, 0.750000000000000, 0.250133800000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 19 coordinates: [ 0.762906540000000, 0.250000000000000, 0.750133800000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 20 coordinates: [ 0.762906540000000, 0.750000000000000, 0.750133800000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 21 coordinates: [ 0.237093460000000, 0.250000000000000, 0.249866200000000 ] mass: 30.973762 reduced_to: 21 - symbol: P # 22 coordinates: [ 0.237093460000000, 0.750000000000000, 0.249866200000000 ] mass: 30.973762 reduced_to: 21 - symbol: P # 23 coordinates: [ 0.237093460000000, 0.250000000000000, 0.749866200000000 ] mass: 30.973762 reduced_to: 21 - symbol: P # 24 coordinates: [ 0.237093460000000, 0.750000000000000, 0.749866200000000 ] mass: 30.973762 reduced_to: 21 - symbol: P # 25 coordinates: [ 0.262906540000000, 0.000000000000000, 0.250133800000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 26 coordinates: [ 0.262906540000000, 0.500000000000000, 0.250133800000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 27 coordinates: [ 0.262906540000000, 0.000000000000000, 0.750133800000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 28 coordinates: [ 0.262906540000000, 0.500000000000000, 0.750133800000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 29 coordinates: [ 0.737093460000000, 0.000000000000000, 0.249866200000000 ] mass: 30.973762 reduced_to: 21 - symbol: P # 30 coordinates: [ 0.737093460000000, 0.500000000000000, 0.249866200000000 ] mass: 30.973762 reduced_to: 21 - symbol: P # 31 coordinates: [ 0.737093460000000, 0.000000000000000, 0.749866200000000 ] mass: 30.973762 reduced_to: 21 - symbol: P # 32 coordinates: [ 0.737093460000000, 0.500000000000000, 0.749866200000000 ] mass: 30.973762 reduced_to: 21 - symbol: S # 33 coordinates: [ 0.166626570000000, 0.120818280000000, 0.137531760000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 34 coordinates: [ 0.166626570000000, 0.620818280000000, 0.137531760000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 35 coordinates: [ 0.166626570000000, 0.120818280000000, 0.637531760000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 36 coordinates: [ 0.166626570000000, 0.620818280000000, 0.637531760000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 37 coordinates: [ 0.833373430000000, 0.120818280000000, 0.362468240000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 38 coordinates: [ 0.833373430000000, 0.620818280000000, 0.362468240000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 39 coordinates: [ 0.833373430000000, 0.120818280000000, 0.862468240000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 40 coordinates: [ 0.833373430000000, 0.620818280000000, 0.862468240000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 41 coordinates: [ 0.833373430000000, 0.379181720000000, 0.362468240000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 42 coordinates: [ 0.833373430000000, 0.879181720000000, 0.362468240000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 43 coordinates: [ 0.833373430000000, 0.379181720000000, 0.862468240000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 44 coordinates: [ 0.833373430000000, 0.879181720000000, 0.862468240000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 45 coordinates: [ 0.166626570000000, 0.379181720000000, 0.137531760000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 46 coordinates: [ 0.166626570000000, 0.879181720000000, 0.137531760000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 47 coordinates: [ 0.166626570000000, 0.379181720000000, 0.637531760000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 48 coordinates: [ 0.166626570000000, 0.879181720000000, 0.637531760000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 49 coordinates: [ 0.594416790000000, 0.250000000000000, 0.369171435000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 50 coordinates: [ 0.594416790000000, 0.750000000000000, 0.369171435000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 51 coordinates: [ 0.594416790000000, 0.250000000000000, 0.869171435000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 52 coordinates: [ 0.594416790000000, 0.750000000000000, 0.869171435000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 53 coordinates: [ 0.405583210000000, 0.250000000000000, 0.130828565000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 54 coordinates: [ 0.405583210000000, 0.750000000000000, 0.130828565000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 55 coordinates: [ 0.405583210000000, 0.250000000000000, 0.630828565000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 56 coordinates: [ 0.405583210000000, 0.750000000000000, 0.630828565000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 57 coordinates: [ 0.074529500000000, 0.250000000000000, 0.358104120000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 58 coordinates: [ 0.074529500000000, 0.750000000000000, 0.358104120000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 59 coordinates: [ 0.074529500000000, 0.250000000000000, 0.858104120000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 60 coordinates: [ 0.074529500000000, 0.750000000000000, 0.858104120000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 61 coordinates: [ 0.925470500000000, 0.250000000000000, 0.141895880000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 62 coordinates: [ 0.925470500000000, 0.750000000000000, 0.141895880000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 63 coordinates: [ 0.925470500000000, 0.250000000000000, 0.641895880000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 64 coordinates: [ 0.925470500000000, 0.750000000000000, 0.641895880000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 65 coordinates: [ 0.666626570000000, 0.370818280000000, 0.137531760000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 66 coordinates: [ 0.666626570000000, 0.870818280000000, 0.137531760000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 67 coordinates: [ 0.666626570000000, 0.370818280000000, 0.637531760000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 68 coordinates: [ 0.666626570000000, 0.870818280000000, 0.637531760000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 69 coordinates: [ 0.333373430000000, 0.370818280000000, 0.362468240000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 70 coordinates: [ 0.333373430000000, 0.870818280000000, 0.362468240000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 71 coordinates: [ 0.333373430000000, 0.370818280000000, 0.862468240000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 72 coordinates: [ 0.333373430000000, 0.870818280000000, 0.862468240000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 73 coordinates: [ 0.333373430000000, 0.129181720000000, 0.362468240000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 74 coordinates: [ 0.333373430000000, 0.629181720000000, 0.362468240000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 75 coordinates: [ 0.333373430000000, 0.129181720000000, 0.862468240000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 76 coordinates: [ 0.333373430000000, 0.629181720000000, 0.862468240000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 77 coordinates: [ 0.666626570000000, 0.129181720000000, 0.137531760000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 78 coordinates: [ 0.666626570000000, 0.629181720000000, 0.137531760000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 79 coordinates: [ 0.666626570000000, 0.129181720000000, 0.637531760000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 80 coordinates: [ 0.666626570000000, 0.629181720000000, 0.637531760000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 81 coordinates: [ 0.094416790000000, 0.000000000000000, 0.369171435000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 82 coordinates: [ 0.094416790000000, 0.500000000000000, 0.369171435000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 83 coordinates: [ 0.094416790000000, 0.000000000000000, 0.869171435000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 84 coordinates: [ 0.094416790000000, 0.500000000000000, 0.869171435000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 85 coordinates: [ 0.905583210000000, 0.000000000000000, 0.130828565000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 86 coordinates: [ 0.905583210000000, 0.500000000000000, 0.130828565000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 87 coordinates: [ 0.905583210000000, 0.000000000000000, 0.630828565000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 88 coordinates: [ 0.905583210000000, 0.500000000000000, 0.630828565000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 89 coordinates: [ 0.574529500000000, 0.000000000000000, 0.358104120000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 90 coordinates: [ 0.574529500000000, 0.500000000000000, 0.358104120000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 91 coordinates: [ 0.574529500000000, 0.000000000000000, 0.858104120000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 92 coordinates: [ 0.574529500000000, 0.500000000000000, 0.858104120000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 93 coordinates: [ 0.425470500000000, 0.000000000000000, 0.141895880000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 94 coordinates: [ 0.425470500000000, 0.500000000000000, 0.141895880000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 95 coordinates: [ 0.425470500000000, 0.000000000000000, 0.641895880000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 96 coordinates: [ 0.425470500000000, 0.500000000000000, 0.641895880000000 ] mass: 32.065000 reduced_to: 61displacements:- atom: 1 displacement: [ 0.0099886079741412, 0.0000000000000000, 0.0004771904639897 ] forces: - [ -0.1735858800000000, -0.0296618000000000, -0.0558108300000000 ] - [ 0.0044451200000000, -0.0301787400000000, -0.0025001800000000 ] - [ 0.0038586100000000, -0.0302452000000000, -0.0047493900000000 ] - [ 0.0018181400000000, -0.0302276700000000, -0.0011283300000000 ] - [ -0.0061300100000000, 0.0300583700000000, -0.0070616800000000 ] - [ -0.0074552800000000, 0.0300238200000000, -0.0095363700000000 ] - [ 0.0011691900000000, 0.0302307900000000, -0.0023803000000000 ] - [ -0.0006281700000000, 0.0302397000000000, -0.0005949400000000 ] - [ 0.0055606500000000, -0.0303043500000000, -0.0069736800000000 ] - [ 0.0053365000000000, -0.0300981100000000, -0.0023222500000000 ] - [ -0.0003752000000000, -0.0303209200000000, 0.0027325200000000 ] - [ -0.0002518700000000, -0.0302132900000000, 0.0002802300000000 ] - [ -0.0212912700000000, 0.0302797900000000, 0.0118782800000000 ] - [ -0.0050092900000000, 0.0302660500000000, 0.0013643400000000 ] - [ -0.0031293000000000, 0.0302870800000000, 0.0052933800000000 ] - [ -0.0021321100000000, 0.0302676800000000, 0.0010825900000000 ] - [ 0.0046817700000000, -0.0222584700000000, 0.0032320100000000 ] - [ -0.0046297000000000, -0.0030944300000000, -0.0098090200000000 ] - [ -0.0062974300000000, -0.0011611400000000, -0.0100045200000000 ] - [ -0.0063899600000000, -0.0001479000000000, -0.0095168900000000 ] - [ 0.0171880700000000, 0.0223908200000000, 0.0226770800000000 ] - [ 0.0079310200000000, 0.0031132300000000, 0.0094779000000000 ] - [ 0.0062007300000000, 0.0010749800000000, 0.0090376200000000 ] - [ 0.0061599600000000, 0.0001691000000000, 0.0097169300000000 ] - [ 0.0155862300000000, -0.0219145000000000, 0.0011738200000000 ] - [ -0.0060644200000000, -0.0011866100000000, -0.0083989800000000 ] - [ -0.0063911200000000, -0.0009905100000000, -0.0094977900000000 ] - [ -0.0064789400000000, -0.0001049900000000, -0.0094437000000000 ] - [ 0.0277566400000000, 0.0217977700000000, 0.0205548400000000 ] - [ 0.0064475000000000, 0.0012151500000000, 0.0107132600000000 ] - [ 0.0061519300000000, 0.0011974400000000, 0.0096426000000000 ] - [ 0.0061790100000000, -0.0000268600000000, 0.0097541600000000 ] - [ 0.0132940700000000, 0.0082017800000000, -0.0376436400000000 ] - [ -0.0042086500000000, 0.0070158600000000, -0.0185780700000000 ] - [ -0.0032045400000000, 0.0065281500000000, -0.0181176700000000 ] - [ -0.0023753800000000, 0.0071711700000000, -0.0187451100000000 ] - [ 0.0149516300000000, 0.0061413000000000, 0.0008716200000000 ] - [ -0.0011919900000000, 0.0069937700000000, 0.0187236000000000 ] - [ -0.0001358400000000, 0.0074774100000000, 0.0189956300000000 ] - [ 0.0006936600000000, 0.0068828100000000, 0.0183700600000000 ] - [ 0.0017184500000000, -0.0083903300000000, 0.0167430700000000 ] - [ 0.0008068400000000, -0.0037391000000000, 0.0170178600000000 ] - [ 0.0014949900000000, -0.0070773800000000, 0.0188799200000000 ] - [ 0.0017794700000000, -0.0067323500000000, 0.0189971700000000 ] - [ -0.0011391800000000, -0.0055941200000000, -0.0205483200000000 ] - [ -0.0022107700000000, -0.0102844700000000, -0.0201686000000000 ] - [ -0.0015127700000000, -0.0069244100000000, -0.0182692700000000 ] - [ -0.0013341300000000, -0.0073562500000000, -0.0181391800000000 ] - [ -0.0071595600000000, 0.0020115800000000, -0.0087443000000000 ] - [ -0.0108482200000000, 0.0009729000000000, -0.0061458900000000 ] - [ -0.0115163000000000, 0.0005446500000000, -0.0067970200000000 ] - [ -0.0105076200000000, 0.0000645700000000, -0.0059819600000000 ] - [ 0.0156431800000000, -0.0019782700000000, 0.0021830400000000 ] - [ 0.0118695900000000, -0.0011135600000000, 0.0049979800000000 ] - [ 0.0109798800000000, -0.0004811500000000, 0.0042076800000000 ] - [ 0.0119964500000000, -0.0000593700000000, 0.0050716100000000 ] - [ 0.0122069400000000, -0.0007431500000000, -0.0101921700000000 ] - [ 0.0017889300000000, -0.0004094800000000, -0.0144544200000000 ] - [ 0.0012275400000000, -0.0005011000000000, -0.0137190600000000 ] - [ 0.0005469300000000, -0.0003132400000000, -0.0157314900000000 ] - [ 0.0108297300000000, 0.0007163300000000, 0.0212172900000000 ] - [ 0.0005750800000000, 0.0005665400000000, 0.0172413700000000 ] - [ -0.0002157200000000, 0.0005405200000000, 0.0177356500000000 ] - [ -0.0007468400000000, 0.0002795500000000, 0.0159977400000000 ] - [ -0.0060752200000000, 0.0078845700000000, -0.0185963800000000 ] - [ -0.0032190200000000, 0.0067693200000000, -0.0176390600000000 ] - [ -0.0015572700000000, 0.0068897000000000, -0.0190624900000000 ] - [ -0.0015795100000000, 0.0069999900000000, -0.0182425600000000 ] - [ -0.0030953000000000, 0.0061361900000000, 0.0184533300000000 ] - [ -0.0001095300000000, 0.0072390100000000, 0.0197482800000000 ] - [ 0.0016815000000000, 0.0072017600000000, 0.0179613300000000 ] - [ 0.0014591700000000, 0.0070063100000000, 0.0189183100000000 ] - [ 0.0104290200000000, -0.0068795800000000, 0.0165562700000000 ] - [ 0.0036029600000000, -0.0070057300000000, 0.0189764800000000 ] - [ 0.0031354000000000, -0.0069260100000000, 0.0178002900000000 ] - [ 0.0021621500000000, -0.0068026100000000, 0.0189832400000000 ] - [ 0.0072752900000000, -0.0072684900000000, -0.0206700900000000 ] - [ 0.0005530100000000, -0.0070730100000000, -0.0182008400000000 ] - [ -0.0000272600000000, -0.0071099900000000, -0.0192576800000000 ] - [ -0.0008778600000000, -0.0072830200000000, -0.0181830300000000 ] - [ 0.0183830700000000, -0.0170829100000000, 0.0247615600000000 ] - [ -0.0106790100000000, 0.0003079100000000, -0.0037321800000000 ] - [ -0.0111901900000000, 0.0006439900000000, -0.0043677400000000 ] - [ -0.0113249200000000, -0.0001130500000000, -0.0047657900000000 ] - [ 0.0412493300000000, 0.0164069900000000, 0.0350585600000000 ] - [ 0.0117285400000000, -0.0002542400000000, 0.0071359300000000 ] - [ 0.0113493800000000, -0.0005999200000000, 0.0066210200000000 ] - [ 0.0112014700000000, 0.0001020800000000, 0.0062890000000000 ] - [ 0.0018475100000000, -0.0012349200000000, -0.0180285700000000 ] - [ 0.0004427500000000, 0.0007004000000000, -0.0161144800000000 ] - [ 0.0003559700000000, -0.0004141400000000, -0.0168711000000000 ] - [ 0.0003646300000000, -0.0003606100000000, -0.0165329000000000 ] - [ 0.0007389800000000, 0.0012182100000000, 0.0134493800000000 ] - [ -0.0007477100000000, -0.0006782600000000, 0.0155730500000000 ] - [ -0.0009196500000000, 0.0003892600000000, 0.0146833100000000 ] - [ -0.0008846300000000, 0.0003033700000000, 0.0151377300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.1777087900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0301316100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0302993500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0300491000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0402393100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0511413400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0303333000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0301654000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0292635900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0292193200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0301149100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0301051900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0299066600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0336716000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0305886800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0295660900000000, 0.0000000000000000 ] - [ -0.0156376600000000, 0.0000585000000000, -0.0052200500000000 ] - [ -0.0062704900000000, -0.0009823400000000, -0.0117991100000000 ] - [ -0.0059549100000000, -0.0002652800000000, -0.0096599600000000 ] - [ -0.0059868200000000, 0.0002868300000000, -0.0094557500000000 ] - [ 0.0156376600000000, 0.0000585000000000, 0.0052200500000000 ] - [ 0.0062704900000000, -0.0009823400000000, 0.0117991100000000 ] - [ 0.0059549100000000, -0.0002652800000000, 0.0096599600000000 ] - [ 0.0059868200000000, 0.0002868300000000, 0.0094557500000000 ] - [ -0.0155116400000000, -0.0003684100000000, -0.0040010100000000 ] - [ -0.0067801300000000, 0.0000161600000000, -0.0087826700000000 ] - [ -0.0067586600000000, -0.0003123900000000, -0.0093768400000000 ] - [ -0.0064360400000000, 0.0002516600000000, -0.0098167300000000 ] - [ 0.0155116400000000, -0.0003684100000000, 0.0040010100000000 ] - [ 0.0067801300000000, 0.0000161600000000, 0.0087826700000000 ] - [ 0.0067586600000000, -0.0003123900000000, 0.0093768400000000 ] - [ 0.0064360400000000, 0.0002516600000000, 0.0098167300000000 ] - [ 0.0060537800000000, 0.0144344600000000, -0.0220632700000000 ] - [ -0.0019184400000000, 0.0060362900000000, -0.0190764200000000 ] - [ -0.0015749200000000, 0.0072520300000000, -0.0189102000000000 ] - [ -0.0011101700000000, 0.0070373600000000, -0.0186294900000000 ] - [ -0.0060537800000000, 0.0144344600000000, 0.0220632700000000 ] - [ 0.0019184400000000, 0.0060362900000000, 0.0190764200000000 ] - [ 0.0015749200000000, 0.0072520300000000, 0.0189102000000000 ] - [ 0.0011101700000000, 0.0070373600000000, 0.0186294900000000 ] - [ 0.0026382800000000, -0.0078372900000000, 0.0192923100000000 ] - [ 0.0039658400000000, -0.0037186400000000, 0.0194433100000000 ] - [ 0.0014183400000000, -0.0070655400000000, 0.0183419800000000 ] - [ 0.0012778700000000, -0.0071694500000000, 0.0188281300000000 ] - [ -0.0026382800000000, -0.0078372900000000, -0.0192923100000000 ] - [ -0.0039658400000000, -0.0037186400000000, -0.0194433100000000 ] - [ -0.0014183400000000, -0.0070655400000000, -0.0183419800000000 ] - [ -0.0012778700000000, -0.0071694500000000, -0.0188281300000000 ] - [ -0.0122286300000000, 0.0010896000000000, -0.0056888500000000 ] - [ -0.0121513900000000, -0.0002060500000000, -0.0052809700000000 ] - [ -0.0111322800000000, -0.0000051800000000, -0.0055519800000000 ] - [ -0.0110707200000000, 0.0001459700000000, -0.0051161200000000 ] - [ 0.0122286300000000, 0.0010896000000000, 0.0056888500000000 ] - [ 0.0121513900000000, -0.0002060500000000, 0.0052809700000000 ] - [ 0.0111322800000000, -0.0000051800000000, 0.0055519800000000 ] - [ 0.0110707200000000, 0.0001459700000000, 0.0051161200000000 ] - [ 0.0012060900000000, 0.0219641100000000, -0.0093097900000000 ] - [ -0.0004807600000000, -0.0006141400000000, -0.0161197800000000 ] - [ 0.0010339100000000, -0.0001159900000000, -0.0155010700000000 ] - [ 0.0007245600000000, -0.0000065400000000, -0.0158860700000000 ] - [ -0.0012060900000000, 0.0219641100000000, 0.0093097900000000 ] - [ 0.0004807600000000, -0.0006141400000000, 0.0161197800000000 ] - [ -0.0010339100000000, -0.0001159900000000, 0.0155010700000000 ] - [ -0.0007245600000000, -0.0000065400000000, 0.0158860700000000 ] - [ -0.0014402400000000, 0.0075735500000000, -0.0190764200000000 ] - [ -0.0000467200000000, 0.0088402300000000, -0.0173313700000000 ] - [ -0.0016473500000000, 0.0069328900000000, -0.0185388400000000 ] - [ -0.0014987900000000, 0.0070076700000000, -0.0184108000000000 ] - [ 0.0014402400000000, 0.0075735500000000, 0.0190764200000000 ] - [ 0.0000467200000000, 0.0088402300000000, 0.0173313700000000 ] - [ 0.0016473500000000, 0.0069328900000000, 0.0185388400000000 ] - [ 0.0014987900000000, 0.0070076700000000, 0.0184108000000000 ] - [ 0.0010636900000000, -0.0086605400000000, 0.0186510700000000 ] - [ 0.0005556700000000, -0.0074565200000000, 0.0186511000000000 ] - [ 0.0017459100000000, -0.0071269900000000, 0.0183101900000000 ] - [ 0.0015058700000000, -0.0069165500000000, 0.0184330000000000 ] - [ -0.0010636900000000, -0.0086605400000000, -0.0186510700000000 ] - [ -0.0005556700000000, -0.0074565200000000, -0.0186511000000000 ] - [ -0.0017459100000000, -0.0071269900000000, -0.0183101900000000 ] - [ -0.0015058700000000, -0.0069165500000000, -0.0184330000000000 ] - [ -0.0267188000000000, 0.0247840300000000, -0.0275920400000000 ] - [ -0.0109056800000000, 0.0002559800000000, -0.0053121000000000 ] - [ -0.0110841700000000, 0.0000673200000000, -0.0051947300000000 ] - [ -0.0113913100000000, -0.0001292100000000, -0.0056208400000000 ] - [ 0.0267188000000000, 0.0247840300000000, 0.0275920400000000 ] - [ 0.0109056800000000, 0.0002559800000000, 0.0053121000000000 ] - [ 0.0110841700000000, 0.0000673200000000, 0.0051947300000000 ] - [ 0.0113913100000000, -0.0001292100000000, 0.0056208400000000 ] - [ -0.0004510000000000, 0.0007101200000000, -0.0154192000000000 ] - [ 0.0006223800000000, -0.0001975900000000, -0.0151973200000000 ] - [ 0.0006499300000000, -0.0000216300000000, -0.0157975200000000 ] - [ 0.0005446000000000, 0.0000712400000000, -0.0158560700000000 ] - [ 0.0004510000000000, 0.0007101200000000, 0.0154192000000000 ] - [ -0.0006223800000000, -0.0001975900000000, 0.0151973200000000 ] - [ -0.0006499300000000, -0.0000216300000000, 0.0157975200000000 ] - [ -0.0005446000000000, 0.0000712400000000, 0.0158560700000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.1196629300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0303832100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0302140300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0304261500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0203945100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0080350300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0302030400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0302841100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0312480800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0312079900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0304078100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0303985000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0306105900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0269035600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0299431100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0309207500000000, 0.0000000000000000 ] - [ 0.0029467300000000, -0.0001486100000000, -0.0138887400000000 ] - [ -0.0062485500000000, 0.0010079400000000, -0.0073569000000000 ] - [ -0.0066252500000000, 0.0002394800000000, -0.0095290900000000 ] - [ -0.0065717800000000, -0.0002540300000000, -0.0097166000000000 ] - [ -0.0029467300000000, -0.0001486100000000, 0.0138887400000000 ] - [ 0.0062485500000000, 0.0010079400000000, 0.0073569000000000 ] - [ 0.0066252500000000, 0.0002394800000000, 0.0095290900000000 ] - [ 0.0065717800000000, -0.0002540300000000, 0.0097166000000000 ] - [ 0.0029746000000000, 0.0002795700000000, -0.0153142700000000 ] - [ -0.0057402200000000, -0.0000028300000000, -0.0103748500000000 ] - [ -0.0058295600000000, 0.0002894400000000, -0.0097991500000000 ] - [ -0.0061073000000000, -0.0002311600000000, -0.0093756400000000 ] - [ -0.0029746000000000, 0.0002795700000000, 0.0153142700000000 ] - [ 0.0057402200000000, -0.0000028300000000, 0.0103748500000000 ] - [ 0.0058295600000000, 0.0002894400000000, 0.0097991500000000 ] - [ 0.0061073000000000, -0.0002311600000000, 0.0093756400000000 ] - [ -0.0092283100000000, -0.0006153500000000, -0.0149267400000000 ] - [ -0.0010983300000000, 0.0080086700000000, -0.0180687700000000 ] - [ -0.0014753500000000, 0.0068110800000000, -0.0182685500000000 ] - [ -0.0019672700000000, 0.0070005600000000, -0.0185022300000000 ] - [ 0.0092283100000000, -0.0006153500000000, 0.0149267400000000 ] - [ 0.0010983300000000, 0.0080086700000000, 0.0180687700000000 ] - [ 0.0014753500000000, 0.0068110800000000, 0.0182685500000000 ] - [ 0.0019672700000000, 0.0070005600000000, 0.0185022300000000 ] - [ 0.0004222600000000, -0.0062663800000000, 0.0178583900000000 ] - [ -0.0010130100000000, -0.0103241700000000, 0.0175915700000000 ] - [ 0.0016702100000000, -0.0069896600000000, 0.0187972100000000 ] - [ 0.0017460600000000, -0.0068719300000000, 0.0183523800000000 ] - [ -0.0004222600000000, -0.0062663800000000, -0.0178583900000000 ] - [ 0.0010130100000000, -0.0103241700000000, -0.0175915700000000 ] - [ -0.0016702100000000, -0.0069896600000000, -0.0187972100000000 ] - [ -0.0017460600000000, -0.0068719300000000, -0.0183523800000000 ] - [ -0.0104063900000000, -0.0010982500000000, -0.0052879900000000 ] - [ -0.0104051900000000, 0.0002086500000000, -0.0057885600000000 ] - [ -0.0114165300000000, -0.0000116600000000, -0.0055175900000000 ] - [ -0.0114283800000000, -0.0001267800000000, -0.0058664700000000 ] - [ 0.0104063900000000, -0.0010982500000000, 0.0052879900000000 ] - [ 0.0104051900000000, 0.0002086500000000, 0.0057885600000000 ] - [ 0.0114165300000000, -0.0000116600000000, 0.0055175900000000 ] - [ 0.0114283800000000, -0.0001267800000000, 0.0058664700000000 ] - [ 0.0002611600000000, -0.0211535800000000, -0.0218459900000000 ] - [ 0.0017534600000000, 0.0006090700000000, -0.0155305200000000 ] - [ 0.0002227900000000, 0.0001305000000000, -0.0161386500000000 ] - [ 0.0005353900000000, -0.0000112500000000, -0.0157725500000000 ] - [ -0.0002611600000000, -0.0211535800000000, 0.0218459900000000 ] - [ -0.0017534600000000, 0.0006090700000000, 0.0155305200000000 ] - [ -0.0002227900000000, 0.0001305000000000, 0.0161386500000000 ] - [ -0.0005353900000000, -0.0000112500000000, 0.0157725500000000 ] - [ -0.0016366100000000, 0.0065161700000000, -0.0181145800000000 ] - [ -0.0030423700000000, 0.0052054600000000, -0.0198000900000000 ] - [ -0.0014003200000000, 0.0071260100000000, -0.0186050500000000 ] - [ -0.0015203700000000, 0.0070473300000000, -0.0187389200000000 ] - [ 0.0016366100000000, 0.0065161700000000, 0.0181145800000000 ] - [ 0.0030423700000000, 0.0052054600000000, 0.0198000900000000 ] - [ 0.0014003200000000, 0.0071260100000000, 0.0186050500000000 ] - [ 0.0015203700000000, 0.0070473300000000, 0.0187389200000000 ] - [ 0.0019719100000000, -0.0054318700000000, 0.0185201900000000 ] - [ 0.0024792400000000, -0.0066172300000000, 0.0184937400000000 ] - [ 0.0013122100000000, -0.0069163600000000, 0.0188174500000000 ] - [ 0.0015108800000000, -0.0071456900000000, 0.0187267500000000 ] - [ -0.0019719100000000, -0.0054318700000000, -0.0185201900000000 ] - [ -0.0024792400000000, -0.0066172300000000, -0.0184937400000000 ] - [ -0.0013122100000000, -0.0069163600000000, -0.0188174500000000 ] - [ -0.0015108800000000, -0.0071456900000000, -0.0187267500000000 ] - [ 0.0049863100000000, -0.0258347700000000, 0.0175669200000000 ] - [ -0.0116289000000000, -0.0002408700000000, -0.0057331700000000 ] - [ -0.0114498100000000, -0.0000599600000000, -0.0058098700000000 ] - [ -0.0112124100000000, 0.0001361400000000, -0.0054832800000000 ] - [ -0.0049863100000000, -0.0258347700000000, -0.0175669200000000 ] - [ 0.0116289000000000, -0.0002408700000000, 0.0057331700000000 ] - [ 0.0114498100000000, -0.0000599600000000, 0.0058098700000000 ] - [ 0.0112124100000000, 0.0001361400000000, 0.0054832800000000 ] - [ 0.0017432000000000, -0.0007310500000000, -0.0162483700000000 ] - [ 0.0006332200000000, 0.0001758600000000, -0.0164541400000000 ] - [ 0.0006089500000000, 0.0000464300000000, -0.0158463600000000 ] - [ 0.0007183500000000, -0.0000908600000000, -0.0157923700000000 ] - [ -0.0017432000000000, -0.0007310500000000, 0.0162483700000000 ] - [ -0.0006332200000000, 0.0001758600000000, 0.0164541400000000 ] - [ -0.0006089500000000, 0.0000464300000000, 0.0158463600000000 ] - [ -0.0007183500000000, -0.0000908600000000, 0.0157923700000000 ]- atom: 1 displacement: [ 0.0000802568418282, 0.0000000000000000, 0.0099996779367808 ] forces: - [ -0.0528667400000000, -0.0289459700000000, -0.0907507600000000 ] - [ -0.0026544400000000, -0.0299852000000000, 0.0036952800000000 ] - [ -0.0050522200000000, -0.0301134000000000, 0.0092920900000000 ] - [ -0.0009978200000000, -0.0301828200000000, -0.0024972700000000 ] - [ -0.0072298500000000, 0.0300137300000000, 0.0041930700000000 ] - [ -0.0092170400000000, 0.0298950900000000, -0.0089238600000000 ] - [ -0.0025498300000000, 0.0299631900000000, 0.0046313000000000 ] - [ -0.0007920800000000, 0.0302043300000000, 0.0032031400000000 ] - [ -0.0023293100000000, -0.0302816600000000, 0.0015698400000000 ] - [ -0.0070512500000000, -0.0301082500000000, 0.0016521900000000 ] - [ 0.0004196600000000, -0.0304101300000000, -0.0028945400000000 ] - [ 0.0028542900000000, -0.0302689900000000, -0.0029086700000000 ] - [ 0.0122734100000000, 0.0303840500000000, -0.0133062200000000 ] - [ 0.0013584500000000, 0.0302632000000000, -0.0014699800000000 ] - [ 0.0057708500000000, 0.0303252900000000, -0.0115506600000000 ] - [ 0.0010991100000000, 0.0302867900000000, -0.0015101700000000 ] - [ -0.0026503600000000, 0.0182425800000000, -0.0226723400000000 ] - [ -0.0074277400000000, 0.0027900500000000, -0.0073968800000000 ] - [ -0.0062248000000000, 0.0004148500000000, -0.0087455900000000 ] - [ -0.0059915100000000, 0.0004083600000000, -0.0093376300000000 ] - [ 0.0096914500000000, -0.0196032900000000, -0.0039249600000000 ] - [ 0.0047661500000000, -0.0019088100000000, 0.0114507200000000 ] - [ 0.0058016500000000, -0.0011977400000000, 0.0101268300000000 ] - [ 0.0063839500000000, 0.0001269900000000, 0.0099776500000000 ] - [ -0.0021026400000000, 0.0194926100000000, -0.0271086900000000 ] - [ -0.0056517600000000, -0.0003266500000000, -0.0106823900000000 ] - [ -0.0063135900000000, 0.0011590000000000, -0.0096511500000000 ] - [ -0.0060879900000000, 0.0000516300000000, -0.0096473500000000 ] - [ 0.0103923800000000, -0.0188831900000000, -0.0068196200000000 ] - [ 0.0068093800000000, 0.0002175400000000, 0.0083148100000000 ] - [ 0.0064311200000000, -0.0005986500000000, 0.0095353900000000 ] - [ 0.0066832900000000, -0.0002832100000000, 0.0095530500000000 ] - [ -0.0058309300000000, 0.0090579000000000, -0.0059794600000000 ] - [ 0.0002140400000000, 0.0065172100000000, -0.0181511300000000 ] - [ -0.0003996800000000, 0.0076858300000000, -0.0208202900000000 ] - [ -0.0015915300000000, 0.0066906800000000, -0.0176229000000000 ] - [ -0.0033100100000000, 0.0050228900000000, 0.0316463800000000 ] - [ 0.0032657200000000, 0.0071812700000000, 0.0190348000000000 ] - [ 0.0026034600000000, 0.0062123400000000, 0.0164285300000000 ] - [ 0.0014458400000000, 0.0073465900000000, 0.0195482100000000 ] - [ 0.0023438200000000, -0.0062056600000000, 0.0198530100000000 ] - [ 0.0005608900000000, -0.0106930500000000, 0.0225966400000000 ] - [ 0.0018182800000000, -0.0067493300000000, 0.0184858800000000 ] - [ 0.0015889900000000, -0.0075106500000000, 0.0173053900000000 ] - [ -0.0004753000000000, -0.0075284200000000, -0.0174457600000000 ] - [ -0.0017083400000000, -0.0035318700000000, -0.0146425400000000 ] - [ -0.0011666800000000, -0.0070765500000000, -0.0185711800000000 ] - [ -0.0014992000000000, -0.0066482800000000, -0.0199723400000000 ] - [ -0.0130160300000000, -0.0014257800000000, -0.0035244900000000 ] - [ -0.0107992900000000, 0.0000070500000000, -0.0050868400000000 ] - [ -0.0108449700000000, -0.0003067500000000, -0.0031877300000000 ] - [ -0.0121425500000000, 0.0003837800000000, -0.0042548000000000 ] - [ 0.0091855300000000, 0.0011069600000000, 0.0077115400000000 ] - [ 0.0116903600000000, -0.0000073400000000, 0.0059016000000000 ] - [ 0.0114096900000000, 0.0002912000000000, 0.0077462400000000 ] - [ 0.0103308800000000, -0.0002837400000000, 0.0069190200000000 ] - [ 0.0052211900000000, 0.0064071000000000, -0.0048203700000000 ] - [ 0.0016647100000000, -0.0015185600000000, -0.0150337200000000 ] - [ 0.0005086200000000, 0.0008435600000000, -0.0192011600000000 ] - [ 0.0013246600000000, 0.0008275000000000, -0.0158137600000000 ] - [ 0.0036154300000000, -0.0064540700000000, 0.0263741000000000 ] - [ 0.0003447400000000, 0.0016299500000000, 0.0165082600000000 ] - [ -0.0013026400000000, -0.0006880500000000, 0.0118430900000000 ] - [ -0.0002492900000000, -0.0008649700000000, 0.0159298400000000 ] - [ 0.0006306500000000, 0.0056468900000000, -0.0169659600000000 ] - [ 0.0027988300000000, 0.0111076400000000, -0.0162173800000000 ] - [ -0.0017015600000000, 0.0078753800000000, -0.0188225400000000 ] - [ -0.0023484800000000, 0.0067052800000000, -0.0189752800000000 ] - [ 0.0039856600000000, 0.0087803500000000, 0.0200043800000000 ] - [ 0.0059580900000000, 0.0026589700000000, 0.0208447500000000 ] - [ 0.0015688000000000, 0.0064348700000000, 0.0182351600000000 ] - [ 0.0008536000000000, 0.0071266800000000, 0.0180957800000000 ] - [ -0.0051388800000000, -0.0069499200000000, 0.0247260800000000 ] - [ 0.0013425800000000, -0.0069432100000000, 0.0180176700000000 ] - [ -0.0002218400000000, -0.0073642900000000, 0.0209623600000000 ] - [ 0.0011975700000000, -0.0072761400000000, 0.0182628800000000 ] - [ -0.0086417000000000, -0.0069332500000000, -0.0125927500000000 ] - [ -0.0020038600000000, -0.0073548700000000, -0.0192281800000000 ] - [ -0.0037697600000000, -0.0065293900000000, -0.0158847600000000 ] - [ -0.0019040200000000, -0.0069356800000000, -0.0188724300000000 ] - [ 0.0160835500000000, -0.0281305600000000, 0.0340514700000000 ] - [ -0.0108533500000000, 0.0004056100000000, -0.0063552700000000 ] - [ -0.0116396500000000, -0.0009791200000000, -0.0074486800000000 ] - [ -0.0107541000000000, -0.0004186900000000, -0.0066909300000000 ] - [ 0.0387981900000000, 0.0273910800000000, 0.0449787800000000 ] - [ 0.0115552200000000, -0.0003388800000000, 0.0046881900000000 ] - [ 0.0108565700000000, 0.0010296600000000, 0.0032604400000000 ] - [ 0.0117477500000000, 0.0004633300000000, 0.0043952100000000 ] - [ -0.0007894500000000, 0.0003520700000000, -0.0127900500000000 ] - [ 0.0007728600000000, 0.0002474600000000, -0.0155923100000000 ] - [ 0.0013561500000000, 0.0001880500000000, -0.0133044100000000 ] - [ 0.0006927400000000, 0.0001923700000000, -0.0152126800000000 ] - [ -0.0019939600000000, -0.0004660300000000, 0.0185906900000000 ] - [ -0.0004502400000000, -0.0003030600000000, 0.0162550000000000 ] - [ 0.0001326800000000, -0.0003596900000000, 0.0178943400000000 ] - [ -0.0004652200000000, -0.0001829600000000, 0.0165897300000000 ]- atom: 17 displacement: [ 0.0099886079741412, 0.0000000000000000, 0.0004771904639897 ] forces: - [ 0.0113132400000000, -0.0392888500000000, 0.0028459100000000 ] - [ 0.0017072300000000, -0.0303999700000000, -0.0013096700000000 ] - [ -0.0000696900000000, -0.0299187700000000, -0.0001650900000000 ] - [ -0.0001290300000000, -0.0299741700000000, 0.0002300200000000 ] - [ 0.0113132400000000, 0.0392888500000000, 0.0028459100000000 ] - [ 0.0017072300000000, 0.0303999700000000, -0.0013096700000000 ] - [ -0.0000696900000000, 0.0299187700000000, -0.0001650900000000 ] - [ -0.0001290300000000, 0.0299741700000000, 0.0002300200000000 ] - [ 0.0220658600000000, -0.0391563800000000, 0.0031846400000000 ] - [ 0.0002092100000000, -0.0307471700000000, 0.0005403900000000 ] - [ -0.0001209800000000, -0.0306699100000000, 0.0000597900000000 ] - [ -0.0001556300000000, -0.0304108400000000, 0.0002910600000000 ] - [ 0.0220658600000000, 0.0391563800000000, 0.0031846400000000 ] - [ 0.0002092100000000, 0.0307471700000000, 0.0005403900000000 ] - [ -0.0001209800000000, 0.0306699100000000, 0.0000597900000000 ] - [ -0.0001556300000000, 0.0304108400000000, 0.0002910600000000 ] - [ -0.1241148800000000, 0.0000000000000000, 0.0026271200000000 ] - [ -0.0102352700000000, 0.0000000000000000, -0.0132728100000000 ] - [ -0.0047299700000000, 0.0000000000000000, -0.0091785900000000 ] - [ -0.0063606300000000, 0.0000000000000000, -0.0097692100000000 ] - [ 0.0069893100000000, 0.0000000000000000, 0.0091847300000000 ] - [ 0.0063646800000000, 0.0000000000000000, 0.0096949500000000 ] - [ 0.0056590000000000, 0.0000000000000000, 0.0095180700000000 ] - [ 0.0064909300000000, 0.0000000000000000, 0.0096339500000000 ] - [ -0.0058694000000000, -0.0003852000000000, -0.0078744700000000 ] - [ -0.0058694000000000, 0.0003852000000000, -0.0078744700000000 ] - [ -0.0068025400000000, -0.0003926700000000, -0.0098292400000000 ] - [ -0.0068025400000000, 0.0003926700000000, -0.0098292400000000 ] - [ -0.0052870200000000, 0.0012286500000000, -0.0038350200000000 ] - [ -0.0052870200000000, -0.0012286500000000, -0.0038350200000000 ] - [ 0.0063336900000000, -0.0006438900000000, 0.0100402100000000 ] - [ 0.0063336900000000, 0.0006438900000000, 0.0100402100000000 ] - [ -0.0016378200000000, 0.0069294500000000, -0.0187444800000000 ] - [ -0.0025106500000000, 0.0071551700000000, -0.0187451500000000 ] - [ -0.0011475400000000, 0.0070463400000000, -0.0185083200000000 ] - [ -0.0013850500000000, 0.0070367200000000, -0.0186344200000000 ] - [ 0.0125767300000000, 0.0038878200000000, 0.0314176200000000 ] - [ 0.0028673400000000, 0.0062183300000000, 0.0208373600000000 ] - [ 0.0012398500000000, 0.0070452300000000, 0.0182638000000000 ] - [ 0.0016219900000000, 0.0068799800000000, 0.0183228400000000 ] - [ 0.0125767300000000, -0.0038878200000000, 0.0314176200000000 ] - [ 0.0028673400000000, -0.0062183300000000, 0.0208373600000000 ] - [ 0.0012398500000000, -0.0070452300000000, 0.0182638000000000 ] - [ 0.0016219900000000, -0.0068799800000000, 0.0183228400000000 ] - [ -0.0016378200000000, -0.0069294500000000, -0.0187444800000000 ] - [ -0.0025106500000000, -0.0071551700000000, -0.0187451500000000 ] - [ -0.0011475400000000, -0.0070463400000000, -0.0185083200000000 ] - [ -0.0013850500000000, -0.0070367200000000, -0.0186344200000000 ] - [ -0.0057622100000000, 0.0000000000000000, -0.0229873600000000 ] - [ -0.0113394300000000, 0.0000000000000000, -0.0050873500000000 ] - [ -0.0112385700000000, 0.0000000000000000, -0.0058731100000000 ] - [ -0.0111814300000000, 0.0000000000000000, -0.0055256700000000 ] - [ 0.0108123300000000, 0.0000000000000000, 0.0057085100000000 ] - [ 0.0112592300000000, 0.0000000000000000, 0.0049235500000000 ] - [ 0.0116649700000000, 0.0000000000000000, 0.0053539800000000 ] - [ 0.0112433900000000, 0.0000000000000000, 0.0052451600000000 ] - [ 0.0016690700000000, 0.0000000000000000, -0.0142568500000000 ] - [ 0.0007873600000000, 0.0000000000000000, -0.0156209400000000 ] - [ 0.0012176900000000, 0.0000000000000000, -0.0159639100000000 ] - [ 0.0007242200000000, 0.0000000000000000, -0.0158261600000000 ] - [ 0.0353632000000000, 0.0000000000000000, -0.0137966200000000 ] - [ -0.0009470200000000, 0.0000000000000000, 0.0169207700000000 ] - [ -0.0012386100000000, 0.0000000000000000, 0.0154176300000000 ] - [ -0.0007241300000000, 0.0000000000000000, 0.0157411900000000 ] - [ 0.0039120600000000, 0.0095664500000000, -0.0090337200000000 ] - [ 0.0010263700000000, 0.0069730500000000, -0.0169046400000000 ] - [ -0.0023438100000000, 0.0068956400000000, -0.0186744700000000 ] - [ -0.0014329200000000, 0.0070793100000000, -0.0187125000000000 ] - [ -0.0008149100000000, 0.0084840000000000, 0.0186054300000000 ] - [ 0.0010945600000000, 0.0074554900000000, 0.0186318100000000 ] - [ 0.0017925700000000, 0.0069631300000000, 0.0185871600000000 ] - [ 0.0015836700000000, 0.0071315500000000, 0.0187038400000000 ] - [ -0.0008149100000000, -0.0084840000000000, 0.0186054300000000 ] - [ 0.0010945600000000, -0.0074554900000000, 0.0186318100000000 ] - [ 0.0017925700000000, -0.0069631300000000, 0.0185871600000000 ] - [ 0.0015836700000000, -0.0071315500000000, 0.0187038400000000 ] - [ 0.0039120600000000, -0.0095664500000000, -0.0090337200000000 ] - [ 0.0010263700000000, -0.0069730500000000, -0.0169046400000000 ] - [ -0.0023438100000000, -0.0068956400000000, -0.0186744700000000 ] - [ -0.0014329200000000, -0.0070793100000000, -0.0187125000000000 ] - [ -0.0117818200000000, 0.0008682200000000, -0.0066615800000000 ] - [ -0.0117818200000000, -0.0008682200000000, -0.0066615800000000 ] - [ -0.0114066700000000, -0.0000499700000000, -0.0053476900000000 ] - [ -0.0114066700000000, 0.0000499700000000, -0.0053476900000000 ] - [ 0.0117376600000000, -0.0008392700000000, 0.0052945300000000 ] - [ 0.0117376600000000, 0.0008392700000000, 0.0052945300000000 ] - [ 0.0112055100000000, 0.0003140900000000, 0.0054989200000000 ] - [ 0.0112055100000000, -0.0003140900000000, 0.0054989200000000 ] - [ 0.0003495700000000, 0.0001099800000000, -0.0151136400000000 ] - [ 0.0003495700000000, -0.0001099800000000, -0.0151136400000000 ] - [ 0.0002444900000000, -0.0001562000000000, -0.0162441900000000 ] - [ 0.0002444900000000, 0.0001562000000000, -0.0162441900000000 ] - [ -0.0008075300000000, -0.0006424700000000, 0.0157968800000000 ] - [ -0.0008075300000000, 0.0006424700000000, 0.0157968800000000 ] - [ -0.0003652100000000, -0.0000914700000000, 0.0157805700000000 ] - [ -0.0003652100000000, 0.0000914700000000, 0.0157805700000000 ]- atom: 17 displacement: [ -0.0099886079741412, 0.0000000000000000, -0.0004771904639897 ] forces: - [ -0.0115208300000000, -0.0211296700000000, -0.0027380700000000 ] - [ -0.0017023000000000, -0.0301153800000000, 0.0011951200000000 ] - [ 0.0000621000000000, -0.0305894000000000, 0.0001763000000000 ] - [ 0.0001167800000000, -0.0305625700000000, -0.0002134100000000 ] - [ -0.0115208300000000, 0.0211296700000000, -0.0027380700000000 ] - [ -0.0017023000000000, 0.0301153800000000, 0.0011951200000000 ] - [ 0.0000621000000000, 0.0305894000000000, 0.0001763000000000 ] - [ 0.0001167800000000, 0.0305625700000000, -0.0002134100000000 ] - [ -0.0220142500000000, -0.0212601900000000, -0.0031370900000000 ] - [ -0.0002305500000000, -0.0297654600000000, -0.0005079900000000 ] - [ 0.0001127900000000, -0.0298142900000000, -0.0000298700000000 ] - [ 0.0001568500000000, -0.0300810400000000, -0.0002910000000000 ] - [ -0.0220142500000000, 0.0212601900000000, -0.0031370900000000 ] - [ -0.0002305500000000, 0.0297654600000000, -0.0005079900000000 ] - [ 0.0001127900000000, 0.0298142900000000, -0.0000298700000000 ] - [ 0.0001568500000000, 0.0300810400000000, -0.0002910000000000 ] - [ 0.1112660700000000, 0.0000000000000000, -0.0211348500000000 ] - [ -0.0023072100000000, 0.0000000000000000, -0.0059211000000000 ] - [ -0.0077984300000000, 0.0000000000000000, -0.0099935300000000 ] - [ -0.0061930300000000, 0.0000000000000000, -0.0094218600000000 ] - [ 0.0055710800000000, 0.0000000000000000, 0.0099322500000000 ] - [ 0.0062093300000000, 0.0000000000000000, 0.0094941100000000 ] - [ 0.0068785700000000, 0.0000000000000000, 0.0096453600000000 ] - [ 0.0060643000000000, 0.0000000000000000, 0.0095539600000000 ] - [ -0.0067152600000000, 0.0004454700000000, -0.0113766800000000 ] - [ -0.0067152600000000, -0.0004454700000000, -0.0113766800000000 ] - [ -0.0057659300000000, 0.0004076000000000, -0.0093830400000000 ] - [ -0.0057659300000000, -0.0004076000000000, -0.0093830400000000 ] - [ 0.0178765200000000, -0.0012556400000000, 0.0230656200000000 ] - [ 0.0178765200000000, 0.0012556400000000, 0.0230656200000000 ] - [ 0.0062324200000000, 0.0006462200000000, 0.0091659200000000 ] - [ 0.0062324200000000, -0.0006462200000000, 0.0091659200000000 ] - [ -0.0013428700000000, 0.0070843100000000, -0.0183341000000000 ] - [ -0.0005498800000000, 0.0069024900000000, -0.0183841700000000 ] - [ -0.0019226200000000, 0.0070049800000000, -0.0186090000000000 ] - [ -0.0016738400000000, 0.0070213800000000, -0.0185152700000000 ] - [ -0.0094124800000000, 0.0099048900000000, 0.0059642300000000 ] - [ 0.0001600000000000, 0.0078016700000000, 0.0163443600000000 ] - [ 0.0018477500000000, 0.0070093600000000, 0.0188668500000000 ] - [ 0.0014525000000000, 0.0071787200000000, 0.0188153900000000 ] - [ -0.0094124800000000, -0.0099048900000000, 0.0059642300000000 ] - [ 0.0001600000000000, -0.0078016700000000, 0.0163443600000000 ] - [ 0.0018477500000000, -0.0070093600000000, 0.0188668500000000 ] - [ 0.0014525000000000, -0.0071787200000000, 0.0188153900000000 ] - [ -0.0013428700000000, -0.0070843100000000, -0.0183341000000000 ] - [ -0.0005498800000000, -0.0069024900000000, -0.0183841700000000 ] - [ -0.0019226200000000, -0.0070049800000000, -0.0186090000000000 ] - [ -0.0016738400000000, -0.0070213800000000, -0.0185152700000000 ] - [ -0.0179672600000000, 0.0000000000000000, 0.0129398400000000 ] - [ -0.0112444600000000, 0.0000000000000000, -0.0059681900000000 ] - [ -0.0112433100000000, 0.0000000000000000, -0.0051112200000000 ] - [ -0.0113545700000000, 0.0000000000000000, -0.0054923900000000 ] - [ 0.0116537500000000, 0.0000000000000000, 0.0052646000000000 ] - [ 0.0112824500000000, 0.0000000000000000, 0.0061378500000000 ] - [ 0.0108262400000000, 0.0000000000000000, 0.0056028900000000 ] - [ 0.0112787400000000, 0.0000000000000000, 0.0057786700000000 ] - [ -0.0004167500000000, 0.0000000000000000, -0.0174259600000000 ] - [ 0.0004484300000000, 0.0000000000000000, -0.0160247800000000 ] - [ 0.0000164300000000, 0.0000000000000000, -0.0156882000000000 ] - [ 0.0005186400000000, 0.0000000000000000, -0.0158459900000000 ] - [ -0.0345173600000000, 0.0000000000000000, 0.0439378200000000 ] - [ -0.0003007800000000, 0.0000000000000000, 0.0147552900000000 ] - [ -0.0000287600000000, 0.0000000000000000, 0.0162124600000000 ] - [ -0.0005143000000000, 0.0000000000000000, 0.0159201300000000 ] - [ -0.0072555800000000, 0.0047485200000000, -0.0284796500000000 ] - [ -0.0040697300000000, 0.0071118100000000, -0.0202700100000000 ] - [ -0.0006938000000000, 0.0071398200000000, -0.0185075700000000 ] - [ -0.0016175100000000, 0.0069801400000000, -0.0184477100000000 ] - [ 0.0038470900000000, 0.0055746400000000, 0.0185452200000000 ] - [ 0.0019896100000000, 0.0065850000000000, 0.0185116600000000 ] - [ 0.0012452500000000, 0.0070801000000000, 0.0185824400000000 ] - [ 0.0014596500000000, 0.0069235500000000, 0.0184584100000000 ] - [ 0.0038470900000000, -0.0055746400000000, 0.0185452200000000 ] - [ 0.0019896100000000, -0.0065850000000000, 0.0185116600000000 ] - [ 0.0012452500000000, -0.0070801000000000, 0.0185824400000000 ] - [ 0.0014596500000000, -0.0069235500000000, 0.0184584100000000 ] - [ -0.0072555800000000, -0.0047485200000000, -0.0284796500000000 ] - [ -0.0040697300000000, -0.0071118100000000, -0.0202700100000000 ] - [ -0.0006938000000000, -0.0071398200000000, -0.0185075700000000 ] - [ -0.0016175100000000, -0.0069801400000000, -0.0184477100000000 ] - [ -0.0108070100000000, -0.0008345800000000, -0.0044678000000000 ] - [ -0.0108070100000000, 0.0008345800000000, -0.0044678000000000 ] - [ -0.0111980300000000, 0.0000653800000000, -0.0057468500000000 ] - [ -0.0111980300000000, -0.0000653800000000, -0.0057468500000000 ] - [ 0.0108871300000000, 0.0008499500000000, 0.0057901500000000 ] - [ 0.0108871300000000, -0.0008499500000000, 0.0057901500000000 ] - [ 0.0114027300000000, -0.0002833200000000, 0.0055997000000000 ] - [ 0.0114027300000000, 0.0002833200000000, 0.0055997000000000 ] - [ 0.0009207700000000, -0.0001173700000000, -0.0165315500000000 ] - [ 0.0009207700000000, 0.0001173700000000, -0.0165315500000000 ] - [ 0.0010342400000000, 0.0001533300000000, -0.0153815000000000 ] - [ 0.0010342400000000, -0.0001533300000000, -0.0153815000000000 ] - [ -0.0004732300000000, 0.0006239500000000, 0.0158567500000000 ] - [ -0.0004732300000000, -0.0006239500000000, 0.0158567500000000 ] - [ -0.0009023500000000, 0.0000760900000000, 0.0158406400000000 ] - [ -0.0009023500000000, -0.0000760900000000, 0.0158406400000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0233132700000000, -0.0300764700000000, 0.0189126400000000 ] - [ -0.0033159300000000, -0.0312115500000000, 0.0024986200000000 ] - [ -0.0011296500000000, -0.0304972300000000, 0.0007939700000000 ] - [ -0.0001585500000000, -0.0299836300000000, 0.0001530600000000 ] - [ 0.0232498500000000, 0.0302795700000000, -0.0193706500000000 ] - [ 0.0031472000000000, 0.0292262200000000, -0.0022626900000000 ] - [ 0.0012050400000000, 0.0299956100000000, -0.0009609100000000 ] - [ 0.0001746500000000, 0.0305167900000000, -0.0001932400000000 ] - [ -0.0228349200000000, -0.0305610200000000, 0.0195643400000000 ] - [ -0.0011324800000000, -0.0302081200000000, -0.0002956300000000 ] - [ -0.0011913800000000, -0.0305463600000000, 0.0010528400000000 ] - [ -0.0000560200000000, -0.0300064600000000, 0.0002039900000000 ] - [ 0.0228245600000000, 0.0299165100000000, -0.0192513600000000 ] - [ 0.0012562300000000, 0.0302225800000000, 0.0002509100000000 ] - [ 0.0011016900000000, 0.0299497800000000, -0.0008672100000000 ] - [ 0.0000395100000000, 0.0304855700000000, -0.0001784900000000 ] - [ -0.0063203700000000, -0.1007214000000000, -0.0100368400000000 ] - [ -0.0062225100000000, 0.0005950900000000, -0.0096031400000000 ] - [ -0.0062867500000000, 0.0011034400000000, -0.0095943000000000 ] - [ -0.0062754800000000, -0.0002771700000000, -0.0095879800000000 ] - [ 0.0062506400000000, -0.0023017300000000, 0.0096036700000000 ] - [ 0.0062901200000000, -0.0030782600000000, 0.0095676200000000 ] - [ 0.0062780100000000, -0.0000305100000000, 0.0095663400000000 ] - [ 0.0062907200000000, -0.0010243300000000, 0.0095828700000000 ] - [ -0.0058639000000000, 0.0010067400000000, -0.0096651600000000 ] - [ -0.0066910600000000, 0.0010029100000000, -0.0095324300000000 ] - [ -0.0058755600000000, 0.0005385100000000, -0.0097388200000000 ] - [ -0.0066890500000000, 0.0004915900000000, -0.0094100500000000 ] - [ 0.0075165000000000, 0.0224613600000000, 0.0087434900000000 ] - [ 0.0049344400000000, 0.0227629100000000, 0.0104684300000000 ] - [ 0.0056309800000000, -0.0002760600000000, 0.0095934700000000 ] - [ 0.0069201600000000, -0.0003629900000000, 0.0095826800000000 ] - [ 0.0018948300000000, 0.0084739100000000, -0.0214397100000000 ] - [ -0.0003528200000000, 0.0078048200000000, -0.0197081600000000 ] - [ -0.0012857100000000, 0.0072873900000000, -0.0189225800000000 ] - [ -0.0012545400000000, 0.0071086200000000, -0.0184610000000000 ] - [ 0.0069505600000000, 0.0215750900000000, -0.0010004900000000 ] - [ 0.0012063400000000, 0.0077797100000000, 0.0188008300000000 ] - [ 0.0021045800000000, 0.0069449600000000, 0.0181740000000000 ] - [ 0.0013944500000000, 0.0067607200000000, 0.0185485900000000 ] - [ -0.0033991100000000, 0.0085041900000000, 0.0391573300000000 ] - [ 0.0018862700000000, -0.0062688400000000, 0.0183144200000000 ] - [ 0.0009254800000000, -0.0070861800000000, 0.0189848400000000 ] - [ 0.0016558100000000, -0.0073008300000000, 0.0186033300000000 ] - [ -0.0050205600000000, -0.0054991200000000, -0.0155835100000000 ] - [ -0.0025974700000000, -0.0063109600000000, -0.0174627600000000 ] - [ -0.0018172000000000, -0.0067374700000000, -0.0181781200000000 ] - [ -0.0018127900000000, -0.0069680800000000, -0.0186753600000000 ] - [ -0.0112682200000000, 0.0090224200000000, -0.0056205700000000 ] - [ -0.0113223500000000, -0.0001149300000000, -0.0055185300000000 ] - [ -0.0112698500000000, -0.0005799100000000, -0.0055130100000000 ] - [ -0.0112790700000000, 0.0000740100000000, -0.0055286600000000 ] - [ 0.0113172900000000, 0.0011054700000000, 0.0054891300000000 ] - [ 0.0112381900000000, 0.0002413300000000, 0.0055463200000000 ] - [ 0.0112652200000000, 0.0003974600000000, 0.0054739500000000 ] - [ 0.0112543300000000, -0.0001574000000000, 0.0055211200000000 ] - [ 0.0006182400000000, -0.0003509600000000, -0.0157491600000000 ] - [ 0.0006137100000000, -0.0003453900000000, -0.0158509800000000 ] - [ 0.0006349400000000, 0.0004388400000000, -0.0157677500000000 ] - [ 0.0006233700000000, -0.0000689600000000, -0.0158445300000000 ] - [ -0.0007517900000000, 0.0104347600000000, 0.0159222800000000 ] - [ -0.0006386600000000, -0.0004628100000000, 0.0157917600000000 ] - [ -0.0006381600000000, -0.0005333800000000, 0.0158263700000000 ] - [ -0.0006443600000000, -0.0002407000000000, 0.0158307900000000 ] - [ 0.0059542200000000, 0.0142018700000000, -0.0331197000000000 ] - [ -0.0015885000000000, 0.0061359900000000, -0.0182017500000000 ] - [ -0.0012328200000000, 0.0071987400000000, -0.0188141700000000 ] - [ -0.0013586300000000, 0.0071368900000000, -0.0188689100000000 ] - [ 0.0059359200000000, 0.0055640100000000, 0.0154991800000000 ] - [ 0.0023198000000000, 0.0071665400000000, 0.0184001600000000 ] - [ 0.0020431300000000, 0.0068324400000000, 0.0182565900000000 ] - [ 0.0016331600000000, 0.0068569500000000, 0.0186294100000000 ] - [ -0.0028141100000000, -0.0085577500000000, 0.0215862400000000 ] - [ 0.0006868400000000, -0.0068244800000000, 0.0187498200000000 ] - [ 0.0010495800000000, -0.0072304400000000, 0.0188487900000000 ] - [ 0.0014314400000000, -0.0071824100000000, 0.0185145800000000 ] - [ -0.0092944100000000, -0.0003388900000000, -0.0046371300000000 ] - [ -0.0014790800000000, -0.0078989200000000, -0.0189541200000000 ] - [ -0.0017833700000000, -0.0068415600000000, -0.0183793900000000 ] - [ -0.0016760300000000, -0.0069168500000000, -0.0182712100000000 ] - [ -0.0098028800000000, -0.0008374300000000, -0.0074399400000000 ] - [ -0.0127312300000000, -0.0007914500000000, -0.0036246800000000 ] - [ -0.0116676800000000, -0.0002093400000000, -0.0060431900000000 ] - [ -0.0108515000000000, -0.0002208900000000, -0.0049575800000000 ] - [ 0.0102673900000000, -0.0007178500000000, 0.0046423300000000 ] - [ 0.0123625400000000, -0.0007480000000000, 0.0064407800000000 ] - [ 0.0117563200000000, 0.0002686200000000, 0.0063820400000000 ] - [ 0.0107980100000000, 0.0002458500000000, 0.0046669200000000 ] - [ 0.0004655900000000, -0.0008762800000000, -0.0156737600000000 ] - [ 0.0008135200000000, -0.0009173600000000, -0.0159815000000000 ] - [ 0.0004430600000000, 0.0003000300000000, -0.0161648500000000 ] - [ 0.0008492000000000, 0.0003126300000000, -0.0154867500000000 ] - [ -0.0022405900000000, 0.0004907700000000, 0.0184204800000000 ] - [ 0.0009927200000000, 0.0005129900000000, 0.0132198900000000 ] - [ -0.0003736500000000, -0.0002237400000000, 0.0164189900000000 ] - [ -0.0008923200000000, -0.0002103400000000, 0.0151921900000000 ]- atom: 17 displacement: [ 0.0000802568418282, 0.0000000000000000, 0.0099996779367808 ] forces: - [ 0.0135404700000000, -0.0258792000000000, -0.0133778400000000 ] - [ -0.0002602000000000, -0.0324477500000000, 0.0020324300000000 ] - [ -0.0005272200000000, -0.0303688200000000, 0.0006912500000000 ] - [ 0.0000887500000000, -0.0301719300000000, 0.0003154200000000 ] - [ 0.0135404700000000, 0.0258792000000000, -0.0133778400000000 ] - [ -0.0002602000000000, 0.0324477500000000, 0.0020324300000000 ] - [ -0.0005272200000000, 0.0303688200000000, 0.0006912500000000 ] - [ 0.0000887500000000, 0.0301719300000000, 0.0003154200000000 ] - [ 0.0120114500000000, -0.0246532600000000, -0.0169401700000000 ] - [ 0.0012213400000000, -0.0294363500000000, -0.0012075900000000 ] - [ 0.0000700400000000, -0.0300888400000000, -0.0000376400000000 ] - [ 0.0001540500000000, -0.0305073500000000, -0.0000371200000000 ] - [ 0.0120114500000000, 0.0246532600000000, -0.0169401700000000 ] - [ 0.0012213400000000, 0.0294363500000000, -0.0012075900000000 ] - [ 0.0000700400000000, 0.0300888400000000, -0.0000376400000000 ] - [ 0.0001540500000000, 0.0305073500000000, -0.0000371200000000 ] - [ 0.0088375500000000, 0.0000000000000000, -0.0989360800000000 ] - [ -0.0098547800000000, 0.0000000000000000, -0.0119686700000000 ] - [ -0.0059411600000000, 0.0000000000000000, -0.0082793400000000 ] - [ -0.0064869500000000, 0.0000000000000000, -0.0094078000000000 ] - [ 0.0058880000000000, 0.0000000000000000, 0.0096260000000000 ] - [ 0.0062996500000000, 0.0000000000000000, 0.0111919600000000 ] - [ 0.0062592200000000, 0.0000000000000000, 0.0089850800000000 ] - [ 0.0063526300000000, 0.0000000000000000, 0.0095997800000000 ] - [ -0.0045339900000000, 0.0000811100000000, -0.0090091600000000 ] - [ -0.0045339900000000, -0.0000811100000000, -0.0090091600000000 ] - [ -0.0065310100000000, 0.0001699700000000, -0.0093975600000000 ] - [ -0.0065310100000000, -0.0001699700000000, -0.0093975600000000 ] - [ -0.0064724000000000, -0.0008648500000000, -0.0080563100000000 ] - [ -0.0064724000000000, 0.0008648500000000, -0.0080563100000000 ] - [ 0.0067240500000000, 0.0000027200000000, 0.0097629100000000 ] - [ 0.0067240500000000, -0.0000027200000000, 0.0097629100000000 ] - [ -0.0032336500000000, 0.0049997100000000, -0.0168814500000000 ] - [ -0.0022441100000000, 0.0068776300000000, -0.0192609400000000 ] - [ -0.0010561200000000, 0.0070267800000000, -0.0187511200000000 ] - [ -0.0017930600000000, 0.0071293300000000, -0.0183450700000000 ] - [ 0.0037474100000000, -0.0005326800000000, 0.0448265400000000 ] - [ 0.0023905300000000, 0.0073187200000000, 0.0201677800000000 ] - [ 0.0012804400000000, 0.0070807700000000, 0.0183766900000000 ] - [ 0.0014343100000000, 0.0070802900000000, 0.0186458200000000 ] - [ 0.0037474100000000, 0.0005326800000000, 0.0448265400000000 ] - [ 0.0023905300000000, -0.0073187200000000, 0.0201677800000000 ] - [ 0.0012804400000000, -0.0070807700000000, 0.0183766900000000 ] - [ 0.0014343100000000, -0.0070802900000000, 0.0186458200000000 ] - [ -0.0032336500000000, -0.0049997100000000, -0.0168814500000000 ] - [ -0.0022441100000000, -0.0068776300000000, -0.0192609400000000 ] - [ -0.0010561200000000, -0.0070267800000000, -0.0187511200000000 ] - [ -0.0017930600000000, -0.0071293300000000, -0.0183450700000000 ] - [ -0.0173438600000000, 0.0000000000000000, 0.0199949500000000 ] - [ -0.0110305400000000, 0.0000000000000000, -0.0046495400000000 ] - [ -0.0107929500000000, 0.0000000000000000, -0.0051946300000000 ] - [ -0.0111680600000000, 0.0000000000000000, -0.0054490500000000 ] - [ 0.0104134800000000, 0.0000000000000000, 0.0052241500000000 ] - [ 0.0116322200000000, 0.0000000000000000, 0.0052806600000000 ] - [ 0.0105252400000000, 0.0000000000000000, 0.0057117600000000 ] - [ 0.0113682900000000, 0.0000000000000000, 0.0056475200000000 ] - [ 0.0016540100000000, 0.0000000000000000, -0.0157983100000000 ] - [ 0.0009853200000000, 0.0000000000000000, -0.0160321200000000 ] - [ 0.0005846200000000, 0.0000000000000000, -0.0157095100000000 ] - [ 0.0003990100000000, 0.0000000000000000, -0.0160733000000000 ] - [ -0.0237974600000000, 0.0000000000000000, 0.0480434300000000 ] - [ -0.0007528500000000, 0.0000000000000000, 0.0157164200000000 ] - [ -0.0008319300000000, 0.0000000000000000, 0.0157453800000000 ] - [ -0.0006328900000000, 0.0000000000000000, 0.0157612700000000 ] - [ -0.0046747200000000, 0.0035042200000000, 0.0041357400000000 ] - [ 0.0007659000000000, 0.0069228500000000, -0.0168267500000000 ] - [ -0.0016329500000000, 0.0070135600000000, -0.0182385000000000 ] - [ -0.0014938400000000, 0.0071196900000000, -0.0187905600000000 ] - [ 0.0000638700000000, 0.0074334900000000, 0.0197212800000000 ] - [ 0.0003692700000000, 0.0069997800000000, 0.0187767200000000 ] - [ 0.0015703000000000, 0.0071284900000000, 0.0185271500000000 ] - [ 0.0016169500000000, 0.0070616700000000, 0.0185480300000000 ] - [ 0.0000638700000000, -0.0074334900000000, 0.0197212800000000 ] - [ 0.0003692700000000, -0.0069997800000000, 0.0187767200000000 ] - [ 0.0015703000000000, -0.0071284900000000, 0.0185271500000000 ] - [ 0.0016169500000000, -0.0070616700000000, 0.0185480300000000 ] - [ -0.0046747200000000, -0.0035042200000000, 0.0041357400000000 ] - [ 0.0007659000000000, -0.0069228500000000, -0.0168267500000000 ] - [ -0.0016329500000000, -0.0070135600000000, -0.0182385000000000 ] - [ -0.0014938400000000, -0.0071196900000000, -0.0187905600000000 ] - [ -0.0108935100000000, 0.0000443000000000, -0.0040925900000000 ] - [ -0.0108935100000000, -0.0000443000000000, -0.0040925900000000 ] - [ -0.0111044000000000, 0.0000437900000000, -0.0056457700000000 ] - [ -0.0111044000000000, -0.0000437900000000, -0.0056457700000000 ] - [ 0.0106042300000000, 0.0015904600000000, 0.0064414800000000 ] - [ 0.0106042300000000, -0.0015904600000000, 0.0064414800000000 ] - [ 0.0112693900000000, -0.0002853800000000, 0.0050908000000000 ] - [ 0.0112693900000000, 0.0002853800000000, 0.0050908000000000 ] - [ 0.0000738800000000, -0.0003353200000000, -0.0143457900000000 ] - [ 0.0000738800000000, 0.0003353200000000, -0.0143457900000000 ] - [ 0.0005759900000000, 0.0002248100000000, -0.0159427900000000 ] - [ 0.0005759900000000, -0.0002248100000000, -0.0159427900000000 ] - [ -0.0037349300000000, 0.0000277900000000, 0.0186190600000000 ] - [ -0.0037349300000000, -0.0000277900000000, 0.0186190600000000 ] - [ -0.0006694100000000, 0.0000788900000000, 0.0159906300000000 ] - [ -0.0006694100000000, -0.0000788900000000, 0.0159906300000000 ]- atom: 17 displacement: [ -0.0000802568418282, 0.0000000000000000, -0.0099996779367808 ] forces: - [ -0.0138584600000000, -0.0344264600000000, 0.0133728800000000 ] - [ 0.0002461600000000, -0.0280274400000000, -0.0020033300000000 ] - [ 0.0005013900000000, -0.0301812900000000, -0.0006635300000000 ] - [ -0.0000736000000000, -0.0303847000000000, -0.0003506200000000 ] - [ -0.0138584600000000, 0.0344264600000000, 0.0133728800000000 ] - [ 0.0002461600000000, 0.0280274400000000, -0.0020033300000000 ] - [ 0.0005013900000000, 0.0301812900000000, -0.0006635300000000 ] - [ -0.0000736000000000, 0.0303847000000000, -0.0003506200000000 ] - [ -0.0117115200000000, -0.0358769900000000, 0.0170503300000000 ] - [ -0.0012154700000000, -0.0310693000000000, 0.0012144200000000 ] - [ -0.0000754700000000, -0.0304601700000000, 0.0000467000000000 ] - [ -0.0001581000000000, -0.0299975600000000, 0.0000579400000000 ] - [ -0.0117115200000000, 0.0358769900000000, 0.0170503300000000 ] - [ -0.0012154700000000, 0.0310693000000000, 0.0012144200000000 ] - [ -0.0000754700000000, 0.0304601700000000, 0.0000467000000000 ] - [ -0.0001581000000000, 0.0299975600000000, 0.0000579400000000 ] - [ -0.0215422700000000, 0.0000000000000000, 0.0792228500000000 ] - [ -0.0026691600000000, 0.0000000000000000, -0.0072350200000000 ] - [ -0.0066108900000000, 0.0000000000000000, -0.0109200800000000 ] - [ -0.0060710800000000, 0.0000000000000000, -0.0097929700000000 ] - [ 0.0066305300000000, 0.0000000000000000, 0.0095352200000000 ] - [ 0.0062617100000000, 0.0000000000000000, 0.0079895100000000 ] - [ 0.0062942400000000, 0.0000000000000000, 0.0101923200000000 ] - [ 0.0062206000000000, 0.0000000000000000, 0.0095974200000000 ] - [ -0.0080311700000000, -0.0000419500000000, -0.0102237700000000 ] - [ -0.0080311700000000, 0.0000419500000000, -0.0102237700000000 ] - [ -0.0060425400000000, -0.0001473400000000, -0.0098240900000000 ] - [ -0.0060425400000000, 0.0001473400000000, -0.0098240900000000 ] - [ 0.0190006500000000, 0.0008390300000000, 0.0272456000000000 ] - [ 0.0190006500000000, -0.0008390300000000, 0.0272456000000000 ] - [ 0.0058494400000000, 0.0000054000000000, 0.0094537800000000 ] - [ 0.0058494400000000, -0.0000054000000000, 0.0094537800000000 ] - [ 0.0002439000000000, 0.0090142300000000, -0.0202279300000000 ] - [ -0.0007685500000000, 0.0071883500000000, -0.0179152700000000 ] - [ -0.0020272900000000, 0.0070274200000000, -0.0183810500000000 ] - [ -0.0013092000000000, 0.0069154100000000, -0.0187750200000000 ] - [ -0.0002387100000000, 0.0138416900000000, -0.0069598600000000 ] - [ 0.0006731700000000, 0.0066986700000000, 0.0169951900000000 ] - [ 0.0018125200000000, 0.0069595500000000, 0.0187569300000000 ] - [ 0.0016606000000000, 0.0069718100000000, 0.0184833500000000 ] - [ -0.0002387100000000, -0.0138416900000000, -0.0069598600000000 ] - [ 0.0006731700000000, -0.0066986700000000, 0.0169951900000000 ] - [ 0.0018125200000000, -0.0069595500000000, 0.0187569300000000 ] - [ 0.0016606000000000, -0.0069718100000000, 0.0184833500000000 ] - [ 0.0002439000000000, -0.0090142300000000, -0.0202279300000000 ] - [ -0.0007685500000000, -0.0071883500000000, -0.0179152700000000 ] - [ -0.0020272900000000, -0.0070274200000000, -0.0183810500000000 ] - [ -0.0013092000000000, -0.0069154100000000, -0.0187750200000000 ] - [ -0.0060297900000000, 0.0000000000000000, -0.0305026400000000 ] - [ -0.0115706500000000, 0.0000000000000000, -0.0064184400000000 ] - [ -0.0117680400000000, 0.0000000000000000, -0.0058820800000000 ] - [ -0.0113734600000000, 0.0000000000000000, -0.0055736300000000 ] - [ 0.0120757700000000, 0.0000000000000000, 0.0057215000000000 ] - [ 0.0109152400000000, 0.0000000000000000, 0.0057948600000000 ] - [ 0.0120521400000000, 0.0000000000000000, 0.0053677100000000 ] - [ 0.0111460700000000, 0.0000000000000000, 0.0053601800000000 ] - [ -0.0004118200000000, 0.0000000000000000, -0.0158501500000000 ] - [ 0.0002806100000000, 0.0000000000000000, -0.0156113200000000 ] - [ 0.0006726900000000, 0.0000000000000000, -0.0159454900000000 ] - [ 0.0008428700000000, 0.0000000000000000, -0.0155949900000000 ] - [ 0.0234090400000000, 0.0000000000000000, -0.0168111100000000 ] - [ -0.0004870000000000, 0.0000000000000000, 0.0159232700000000 ] - [ -0.0004307400000000, 0.0000000000000000, 0.0159003000000000 ] - [ -0.0006128600000000, 0.0000000000000000, 0.0159250500000000 ] - [ 0.0012786400000000, 0.0109579000000000, -0.0418797100000000 ] - [ -0.0038245400000000, 0.0071544700000000, -0.0203343900000000 ] - [ -0.0014238000000000, 0.0070310000000000, -0.0189055500000000 ] - [ -0.0015343700000000, 0.0069356400000000, -0.0183697400000000 ] - [ 0.0029171600000000, 0.0066383200000000, 0.0174617000000000 ] - [ 0.0026857600000000, 0.0070310500000000, 0.0183848200000000 ] - [ 0.0014969600000000, 0.0069165100000000, 0.0186079900000000 ] - [ 0.0014216700000000, 0.0069975100000000, 0.0186099600000000 ] - [ 0.0029171600000000, -0.0066383200000000, 0.0174617000000000 ] - [ 0.0026857600000000, -0.0070310500000000, 0.0183848200000000 ] - [ 0.0014969600000000, -0.0069165100000000, 0.0186079900000000 ] - [ 0.0014216700000000, -0.0069975100000000, 0.0186099600000000 ] - [ 0.0012786400000000, -0.0109579000000000, -0.0418797100000000 ] - [ -0.0038245400000000, -0.0071544700000000, -0.0203343900000000 ] - [ -0.0014238000000000, -0.0070310000000000, -0.0189055500000000 ] - [ -0.0015343700000000, -0.0069356400000000, -0.0183697400000000 ] - [ -0.0116833200000000, -0.0000537100000000, -0.0069832700000000 ] - [ -0.0116833200000000, 0.0000537100000000, -0.0069832700000000 ] - [ -0.0115262100000000, -0.0000418400000000, -0.0054770200000000 ] - [ -0.0115262100000000, 0.0000418400000000, -0.0054770200000000 ] - [ 0.0119728400000000, -0.0015736000000000, 0.0046361500000000 ] - [ 0.0119728400000000, 0.0015736000000000, 0.0046361500000000 ] - [ 0.0113611100000000, 0.0002844300000000, 0.0060322400000000 ] - [ 0.0113611100000000, -0.0002844300000000, 0.0060322400000000 ] - [ 0.0012006000000000, 0.0003216000000000, -0.0173117400000000 ] - [ 0.0012006000000000, -0.0003216000000000, -0.0173117400000000 ] - [ 0.0006987400000000, -0.0001968000000000, -0.0157056000000000 ] - [ 0.0006987400000000, 0.0001968000000000, -0.0157056000000000 ] - [ 0.0024713300000000, -0.0000603100000000, 0.0130315300000000 ] - [ 0.0024713300000000, 0.0000603100000000, 0.0130315300000000 ] - [ -0.0006021700000000, -0.0000512800000000, 0.0156538400000000 ] - [ -0.0006021700000000, 0.0000512800000000, 0.0156538400000000 ]- atom: 33 displacement: [ 0.0099886079741412, 0.0000000000000000, 0.0004771904639897 ] forces: - [ 0.0128392000000000, -0.0228414300000000, -0.0035771300000000 ] - [ -0.0027459700000000, -0.0306572000000000, 0.0018108900000000 ] - [ -0.0016638800000000, -0.0303070000000000, 0.0010278000000000 ] - [ -0.0008355600000000, -0.0298368400000000, -0.0000215700000000 ] - [ 0.0001697000000000, 0.0313366200000000, 0.0009604500000000 ] - [ -0.0007073800000000, 0.0327276000000000, -0.0004903700000000 ] - [ -0.0000065600000000, 0.0301132400000000, 0.0003132000000000 ] - [ 0.0002388700000000, 0.0300236500000000, -0.0000677600000000 ] - [ -0.0017507500000000, -0.0287214600000000, 0.0044140400000000 ] - [ -0.0047018100000000, -0.0301798800000000, 0.0023934700000000 ] - [ 0.0000050600000000, -0.0302569300000000, -0.0007726900000000 ] - [ 0.0000292400000000, -0.0303792700000000, -0.0000346600000000 ] - [ 0.0089433000000000, 0.0298255200000000, -0.0066264000000000 ] - [ 0.0021143900000000, 0.0293127300000000, -0.0003379400000000 ] - [ 0.0015764100000000, 0.0304630900000000, -0.0018684500000000 ] - [ 0.0006634700000000, 0.0302694500000000, -0.0003622800000000 ] - [ -0.0063142300000000, 0.0032595400000000, -0.0112502500000000 ] - [ -0.0072074000000000, 0.0011172700000000, -0.0103438300000000 ] - [ -0.0058969900000000, 0.0002130200000000, -0.0090904300000000 ] - [ -0.0061324700000000, 0.0002994600000000, -0.0098118600000000 ] - [ 0.0177834300000000, -0.0040183700000000, 0.0129844700000000 ] - [ 0.0076689300000000, 0.0003288100000000, 0.0105315400000000 ] - [ 0.0059584300000000, -0.0005858800000000, 0.0092879600000000 ] - [ 0.0063637400000000, 0.0001513700000000, 0.0094672500000000 ] - [ 0.0000606500000000, 0.0068041100000000, -0.0113649100000000 ] - [ -0.0037465500000000, -0.0000420100000000, -0.0072572600000000 ] - [ -0.0071235000000000, 0.0002788800000000, -0.0096655200000000 ] - [ -0.0062054500000000, 0.0001274400000000, -0.0095716200000000 ] - [ 0.0040460100000000, -0.0041902200000000, 0.0083223800000000 ] - [ 0.0058856700000000, -0.0008205500000000, 0.0084791400000000 ] - [ 0.0065710200000000, -0.0004471300000000, 0.0096192600000000 ] - [ 0.0063537400000000, -0.0001136100000000, 0.0096866500000000 ] - [ -0.0829512800000000, -0.0028748700000000, -0.0168822300000000 ] - [ -0.0007954100000000, 0.0070616900000000, -0.0188488500000000 ] - [ -0.0006167100000000, 0.0072728700000000, -0.0189832400000000 ] - [ -0.0014502100000000, 0.0070257500000000, -0.0183259300000000 ] - [ 0.0175840200000000, 0.0031295400000000, 0.0124324900000000 ] - [ 0.0032631300000000, 0.0069956500000000, 0.0185860100000000 ] - [ 0.0018170100000000, 0.0068546100000000, 0.0183496300000000 ] - [ 0.0018052700000000, 0.0069167400000000, 0.0186370900000000 ] - [ 0.0014180900000000, -0.0066508500000000, 0.0190172300000000 ] - [ 0.0021167800000000, -0.0074585400000000, 0.0198683900000000 ] - [ 0.0011427000000000, -0.0070159700000000, 0.0186569600000000 ] - [ 0.0013527500000000, -0.0070325100000000, 0.0183944000000000 ] - [ -0.0027185900000000, -0.0109707700000000, -0.0195993800000000 ] - [ 0.0013623700000000, -0.0045064000000000, -0.0176323000000000 ] - [ -0.0015585000000000, -0.0069342800000000, -0.0184037800000000 ] - [ -0.0014005300000000, -0.0070249700000000, -0.0189702000000000 ] - [ -0.0117393600000000, -0.0009902100000000, -0.0039474900000000 ] - [ -0.0113436400000000, -0.0005728300000000, -0.0050495700000000 ] - [ -0.0109174700000000, -0.0002264600000000, -0.0048099100000000 ] - [ -0.0116747400000000, 0.0000544100000000, -0.0053998800000000 ] - [ 0.0118499700000000, 0.0078541200000000, 0.0099519800000000 ] - [ 0.0108794900000000, 0.0005521600000000, 0.0056655300000000 ] - [ 0.0109005400000000, 0.0004048700000000, 0.0059008800000000 ] - [ 0.0110849400000000, -0.0000628600000000, 0.0058394400000000 ] - [ 0.0041328900000000, -0.0023079200000000, -0.0221418200000000 ] - [ 0.0004493800000000, 0.0000706700000000, -0.0163117600000000 ] - [ 0.0010251200000000, 0.0002612800000000, -0.0157397300000000 ] - [ 0.0006701200000000, 0.0002285300000000, -0.0158766500000000 ] - [ 0.0051236400000000, -0.0035023400000000, 0.0129944100000000 ] - [ -0.0003129900000000, 0.0005560500000000, 0.0154280300000000 ] - [ -0.0010512300000000, -0.0003376900000000, 0.0152439300000000 ] - [ -0.0005271300000000, -0.0001022500000000, 0.0159977500000000 ] - [ 0.0001527500000000, 0.0072957800000000, -0.0190920800000000 ] - [ 0.0001536800000000, 0.0073668300000000, -0.0190863200000000 ] - [ -0.0015390000000000, 0.0070367200000000, -0.0184730700000000 ] - [ -0.0015233300000000, 0.0070929500000000, -0.0186377700000000 ] - [ 0.0084229400000000, 0.0122497700000000, 0.0206292700000000 ] - [ 0.0084595200000000, 0.0007715300000000, 0.0211882600000000 ] - [ 0.0017389800000000, 0.0067937200000000, 0.0185703200000000 ] - [ 0.0017311800000000, 0.0070772300000000, 0.0185382600000000 ] - [ -0.0009652900000000, -0.0062817700000000, 0.0251010100000000 ] - [ 0.0007810300000000, -0.0069344800000000, 0.0179093200000000 ] - [ 0.0018055900000000, -0.0069535600000000, 0.0175459100000000 ] - [ 0.0014220800000000, -0.0073185200000000, 0.0185040900000000 ] - [ -0.0063679400000000, -0.0070643800000000, -0.0171396800000000 ] - [ -0.0020266300000000, -0.0067900100000000, -0.0186097900000000 ] - [ -0.0023720300000000, -0.0069748600000000, -0.0181588300000000 ] - [ -0.0016653400000000, -0.0068384900000000, -0.0187529100000000 ] - [ -0.0085139300000000, 0.0012472200000000, -0.0103388800000000 ] - [ -0.0111959000000000, -0.0002051400000000, -0.0057030700000000 ] - [ -0.0107215100000000, -0.0001730400000000, -0.0050423100000000 ] - [ -0.0111871300000000, -0.0001537200000000, -0.0057550700000000 ] - [ 0.0163509000000000, 0.0039138200000000, 0.0041771900000000 ] - [ 0.0110459600000000, -0.0000087300000000, 0.0053630300000000 ] - [ 0.0112786800000000, 0.0003303000000000, 0.0050294000000000 ] - [ 0.0113775900000000, 0.0000362900000000, 0.0052603100000000 ] - [ 0.0006361800000000, 0.0002531800000000, -0.0151047300000000 ] - [ 0.0006570700000000, -0.0001408800000000, -0.0159789900000000 ] - [ 0.0006838300000000, 0.0002471100000000, -0.0154041100000000 ] - [ 0.0006780000000000, 0.0000949800000000, -0.0157460600000000 ] - [ 0.0009397300000000, -0.0053224500000000, 0.0201797600000000 ] - [ -0.0005036800000000, -0.0001225500000000, 0.0157868900000000 ] - [ -0.0003878500000000, -0.0002856400000000, 0.0162563400000000 ] - [ -0.0004993400000000, -0.0001604700000000, 0.0161593500000000 ]- atom: 33 displacement: [ -0.0099886079741412, 0.0000000000000000, -0.0004771904639897 ] forces: - [ -0.0139667400000000, -0.0377969500000000, 0.0044645600000000 ] - [ 0.0028329900000000, -0.0297893700000000, -0.0017758300000000 ] - [ 0.0017556500000000, -0.0301928300000000, -0.0011191200000000 ] - [ 0.0008613600000000, -0.0306807100000000, 0.0000166000000000 ] - [ -0.0001276500000000, 0.0290629600000000, -0.0010923200000000 ] - [ 0.0007852000000000, 0.0276829400000000, 0.0003076000000000 ] - [ 0.0000223800000000, 0.0304001700000000, -0.0003417400000000 ] - [ -0.0002496500000000, 0.0304749000000000, 0.0000367500000000 ] - [ 0.0019151500000000, -0.0318013700000000, -0.0045711600000000 ] - [ 0.0047133400000000, -0.0303091000000000, -0.0024376100000000 ] - [ 0.0000096000000000, -0.0302846400000000, 0.0007674600000000 ] - [ -0.0000509900000000, -0.0301286900000000, 0.0000922800000000 ] - [ -0.0092533100000000, 0.0307174400000000, 0.0068513700000000 ] - [ -0.0021305100000000, 0.0312061700000000, 0.0004011100000000 ] - [ -0.0016607300000000, 0.0300536700000000, 0.0019936400000000 ] - [ -0.0006967300000000, 0.0302820300000000, 0.0004035400000000 ] - [ -0.0061936300000000, -0.0033793100000000, -0.0079252500000000 ] - [ -0.0053120300000000, -0.0010069200000000, -0.0088102400000000 ] - [ -0.0066359600000000, -0.0002789800000000, -0.0100695700000000 ] - [ -0.0064309100000000, -0.0002701100000000, -0.0094015600000000 ] - [ -0.0050872800000000, 0.0044010300000000, 0.0067057200000000 ] - [ 0.0048450100000000, -0.0003151700000000, 0.0086773700000000 ] - [ 0.0065744500000000, 0.0005539200000000, 0.0098642200000000 ] - [ 0.0062022400000000, -0.0001154400000000, 0.0097425900000000 ] - [ -0.0122229600000000, -0.0070744000000000, -0.0074559400000000 ] - [ -0.0087858200000000, 0.0000311500000000, -0.0119158200000000 ] - [ -0.0054438800000000, -0.0002566900000000, -0.0095203200000000 ] - [ -0.0063750300000000, -0.0001603600000000, -0.0096246200000000 ] - [ 0.0085809800000000, 0.0042595200000000, 0.0109735200000000 ] - [ 0.0066752400000000, 0.0007908600000000, 0.0107125700000000 ] - [ 0.0059970100000000, 0.0005094400000000, 0.0095736200000000 ] - [ 0.0062253000000000, 0.0000911400000000, 0.0095298300000000 ] - [ 0.0805634600000000, 0.0171084900000000, -0.0221768500000000 ] - [ -0.0022674800000000, 0.0070110600000000, -0.0183744200000000 ] - [ -0.0024727300000000, 0.0067675200000000, -0.0181383500000000 ] - [ -0.0016237100000000, 0.0070303500000000, -0.0188166200000000 ] - [ -0.0147349300000000, 0.0109700900000000, 0.0247721100000000 ] - [ -0.0002506800000000, 0.0070313100000000, 0.0185626600000000 ] - [ 0.0011912400000000, 0.0071928500000000, 0.0188079700000000 ] - [ 0.0012476700000000, 0.0071340900000000, 0.0184990300000000 ] - [ 0.0015445700000000, -0.0073604200000000, 0.0181656900000000 ] - [ 0.0007796200000000, -0.0066717800000000, 0.0173582700000000 ] - [ 0.0018988900000000, -0.0070220600000000, 0.0184791400000000 ] - [ 0.0016997500000000, -0.0070386600000000, 0.0187671200000000 ] - [ -0.0003052800000000, -0.0030861100000000, -0.0176156200000000 ] - [ -0.0045027600000000, -0.0094698900000000, -0.0195451000000000 ] - [ -0.0015002200000000, -0.0070953000000000, -0.0187334200000000 ] - [ -0.0016525400000000, -0.0070408300000000, -0.0181817800000000 ] - [ -0.0108249900000000, 0.0010139300000000, -0.0071339000000000 ] - [ -0.0112100300000000, 0.0005490000000000, -0.0060205600000000 ] - [ -0.0116234200000000, 0.0002433000000000, -0.0062480200000000 ] - [ -0.0108989600000000, -0.0000480300000000, -0.0056964900000000 ] - [ 0.0110118700000000, -0.0077487100000000, 0.0010641300000000 ] - [ 0.0117060900000000, -0.0005322200000000, 0.0053892700000000 ] - [ 0.0116271400000000, -0.0004197300000000, 0.0051256900000000 ] - [ 0.0115039200000000, 0.0000776300000000, 0.0052252500000000 ] - [ -0.0028452000000000, 0.0022625000000000, -0.0094995100000000 ] - [ 0.0008206000000000, -0.0000492100000000, -0.0153065600000000 ] - [ 0.0002757500000000, -0.0002363600000000, -0.0158511000000000 ] - [ 0.0006042000000000, -0.0002507000000000, -0.0157811100000000 ] - [ -0.0065093800000000, 0.0035592200000000, 0.0186707200000000 ] - [ -0.0009412700000000, -0.0005290700000000, 0.0162359700000000 ] - [ -0.0002353500000000, 0.0003485800000000, 0.0163831100000000 ] - [ -0.0007370600000000, 0.0000811400000000, 0.0156806800000000 ] - [ -0.0032093900000000, 0.0067696700000000, -0.0180060000000000 ] - [ -0.0032030900000000, 0.0066648900000000, -0.0180784400000000 ] - [ -0.0015399900000000, 0.0070274800000000, -0.0186653700000000 ] - [ -0.0015477800000000, 0.0069408300000000, -0.0185056800000000 ] - [ -0.0055379900000000, 0.0017481800000000, 0.0165401200000000 ] - [ -0.0054507200000000, 0.0132934000000000, 0.0159553400000000 ] - [ 0.0013386900000000, 0.0072893300000000, 0.0185588400000000 ] - [ 0.0013358300000000, 0.0069505200000000, 0.0185849100000000 ] - [ 0.0042430000000000, -0.0077739500000000, 0.0122007800000000 ] - [ 0.0022850400000000, -0.0071243500000000, 0.0192575300000000 ] - [ 0.0013047400000000, -0.0070767300000000, 0.0195483500000000 ] - [ 0.0016570500000000, -0.0067551700000000, 0.0186474200000000 ] - [ 0.0033983800000000, -0.0070208500000000, -0.0200815400000000 ] - [ -0.0010423300000000, -0.0072844100000000, -0.0185607300000000 ] - [ -0.0006618700000000, -0.0070712700000000, -0.0189810200000000 ] - [ -0.0013772600000000, -0.0072228100000000, -0.0183966800000000 ] - [ -0.0141373100000000, -0.0012672300000000, -0.0007367600000000 ] - [ -0.0113580000000000, 0.0002253700000000, -0.0052755100000000 ] - [ -0.0118284800000000, 0.0001975900000000, -0.0059530900000000 ] - [ -0.0113921300000000, 0.0001533800000000, -0.0053182900000000 ] - [ 0.0061917200000000, -0.0040208100000000, 0.0069194200000000 ] - [ 0.0114428600000000, -0.0000091400000000, 0.0056684900000000 ] - [ 0.0112792600000000, -0.0003205500000000, 0.0060102600000000 ] - [ 0.0111935900000000, -0.0000425400000000, 0.0058319000000000 ] - [ 0.0005889300000000, -0.0002647000000000, -0.0165760000000000 ] - [ 0.0005700000000000, 0.0001529300000000, -0.0156670700000000 ] - [ 0.0005619800000000, -0.0002843800000000, -0.0162612800000000 ] - [ 0.0005839300000000, -0.0000891300000000, -0.0159259900000000 ] - [ -0.0020244100000000, 0.0051970300000000, 0.0114456500000000 ] - [ -0.0007479200000000, 0.0001213400000000, 0.0158613600000000 ] - [ -0.0008729800000000, 0.0002683600000000, 0.0153402900000000 ] - [ -0.0007542600000000, 0.0001694200000000, 0.0154981400000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009605600000000, -0.0227336800000000, 0.0020998500000000 ] - [ 0.0000346800000000, -0.0312428200000000, -0.0003110400000000 ] - [ -0.0005372400000000, -0.0300302500000000, 0.0008147500000000 ] - [ 0.0001636100000000, -0.0302347600000000, -0.0003469400000000 ] - [ -0.0014226600000000, 0.0294447900000000, 0.0006476600000000 ] - [ 0.0034883100000000, 0.0335137300000000, -0.0036312200000000 ] - [ -0.0000929800000000, 0.0302118300000000, 0.0001719400000000 ] - [ 0.0003420100000000, 0.0301000600000000, -0.0004635800000000 ] - [ -0.0004633600000000, -0.0284445000000000, 0.0042438300000000 ] - [ 0.0009404900000000, -0.0297232000000000, -0.0015679500000000 ] - [ 0.0000035000000000, -0.0302759200000000, -0.0001969900000000 ] - [ -0.0001900600000000, -0.0303522200000000, 0.0007388400000000 ] - [ 0.0002603800000000, 0.0286430300000000, -0.0001438500000000 ] - [ 0.0000306000000000, 0.0298294800000000, 0.0002140700000000 ] - [ 0.0001351900000000, 0.0301478400000000, -0.0004760100000000 ] - [ 0.0002507100000000, 0.0303707500000000, -0.0001752700000000 ] - [ -0.0062512200000000, 0.0015199500000000, -0.0116142400000000 ] - [ -0.0061416200000000, 0.0007718800000000, -0.0097421700000000 ] - [ -0.0062518900000000, 0.0002764300000000, -0.0095911200000000 ] - [ -0.0062785100000000, 0.0000794300000000, -0.0094867200000000 ] - [ 0.0091528100000000, 0.0154680500000000, 0.0172215800000000 ] - [ 0.0070630300000000, 0.0006982500000000, 0.0092975600000000 ] - [ 0.0062593900000000, -0.0000847200000000, 0.0095327200000000 ] - [ 0.0064350500000000, -0.0002662200000000, 0.0095394400000000 ] - [ -0.0034696700000000, 0.0067142600000000, -0.0130628100000000 ] - [ -0.0063534000000000, -0.0008555300000000, -0.0097472500000000 ] - [ -0.0064064300000000, 0.0001875100000000, -0.0096087400000000 ] - [ -0.0062324600000000, 0.0001131300000000, -0.0094982000000000 ] - [ 0.0048420200000000, -0.0015400100000000, 0.0092347200000000 ] - [ 0.0058445700000000, 0.0001648000000000, 0.0096277100000000 ] - [ 0.0063453500000000, -0.0002062500000000, 0.0094951100000000 ] - [ 0.0061737500000000, -0.0001639300000000, 0.0095606200000000 ] - [ -0.0116489900000000, -0.0657475500000000, -0.0258298200000000 ] - [ -0.0014874500000000, 0.0069894300000000, -0.0185263900000000 ] - [ -0.0012658000000000, 0.0071361400000000, -0.0186410700000000 ] - [ -0.0015281000000000, 0.0070768300000000, -0.0185398000000000 ] - [ 0.0056088400000000, 0.0069594000000000, 0.0167987200000000 ] - [ 0.0015419700000000, 0.0074399300000000, 0.0185945400000000 ] - [ 0.0017111900000000, 0.0067166400000000, 0.0184222600000000 ] - [ 0.0016337600000000, 0.0071568800000000, 0.0185027100000000 ] - [ 0.0018714100000000, -0.0065148600000000, 0.0185611200000000 ] - [ 0.0010561000000000, -0.0075389600000000, 0.0196127700000000 ] - [ 0.0015233600000000, -0.0069271800000000, 0.0186251600000000 ] - [ 0.0015221100000000, -0.0070535500000000, 0.0185940800000000 ] - [ 0.0022936600000000, -0.0027325600000000, -0.0154545800000000 ] - [ -0.0039727400000000, 0.0006292600000000, -0.0201035600000000 ] - [ -0.0016002500000000, -0.0071400100000000, -0.0186768300000000 ] - [ -0.0015398800000000, -0.0069486600000000, -0.0185066100000000 ] - [ -0.0106478300000000, 0.0000059800000000, -0.0058129800000000 ] - [ -0.0114355500000000, 0.0000796700000000, -0.0053670800000000 ] - [ -0.0112349500000000, 0.0000303300000000, -0.0055047700000000 ] - [ -0.0112893400000000, 0.0000248700000000, -0.0056054800000000 ] - [ 0.0087892500000000, 0.0021022000000000, 0.0067396000000000 ] - [ 0.0109899800000000, -0.0000481000000000, 0.0056336900000000 ] - [ 0.0114382800000000, 0.0000461500000000, 0.0056316200000000 ] - [ 0.0110167400000000, -0.0001722500000000, 0.0053401800000000 ] - [ -0.0016140900000000, 0.0039013800000000, -0.0079096800000000 ] - [ 0.0005910900000000, 0.0002797300000000, -0.0155007400000000 ] - [ 0.0001167800000000, 0.0001959900000000, -0.0168037900000000 ] - [ 0.0006510100000000, 0.0001016200000000, -0.0155596000000000 ] - [ -0.0062355100000000, 0.0009815900000000, 0.0176914000000000 ] - [ -0.0008186400000000, 0.0002044100000000, 0.0161622900000000 ] - [ -0.0007029600000000, -0.0000427100000000, 0.0156970600000000 ] - [ -0.0005480800000000, 0.0000187500000000, 0.0159529900000000 ] - [ -0.0011659800000000, 0.0069865200000000, -0.0186276200000000 ] - [ -0.0012574100000000, 0.0069818600000000, -0.0186015300000000 ] - [ -0.0014423800000000, 0.0070423800000000, -0.0185526600000000 ] - [ -0.0015141700000000, 0.0070361500000000, -0.0186765500000000 ] - [ 0.0077062700000000, 0.0111021400000000, 0.0206574800000000 ] - [ -0.0036280200000000, 0.0111222900000000, 0.0164872100000000 ] - [ 0.0014449100000000, 0.0068615700000000, 0.0188442200000000 ] - [ 0.0017835200000000, 0.0068597900000000, 0.0183734700000000 ] - [ 0.0021503700000000, -0.0040984500000000, 0.0197367900000000 ] - [ 0.0016133000000000, -0.0066807400000000, 0.0184757000000000 ] - [ 0.0015636500000000, -0.0070591900000000, 0.0187266600000000 ] - [ 0.0012344900000000, -0.0069615200000000, 0.0187090200000000 ] - [ -0.0015728200000000, -0.0061697900000000, -0.0178994900000000 ] - [ -0.0017633100000000, -0.0064706100000000, -0.0188856200000000 ] - [ -0.0015805800000000, -0.0070155400000000, -0.0184526300000000 ] - [ -0.0017207200000000, -0.0068711200000000, -0.0184577600000000 ] - [ -0.0121410100000000, 0.0042088900000000, -0.0134247600000000 ] - [ -0.0112985700000000, 0.0003286700000000, -0.0051929400000000 ] - [ -0.0106397600000000, 0.0003425900000000, -0.0042974500000000 ] - [ -0.0111845000000000, 0.0000815900000000, -0.0054810000000000 ] - [ 0.0142552400000000, 0.0013295800000000, 0.0050677900000000 ] - [ 0.0113256700000000, 0.0000768100000000, 0.0051417200000000 ] - [ 0.0110802700000000, 0.0001133300000000, 0.0054822900000000 ] - [ 0.0112685300000000, -0.0000653800000000, 0.0055672700000000 ] - [ 0.0004544600000000, -0.0002419800000000, -0.0157868100000000 ] - [ 0.0008234200000000, -0.0001506000000000, -0.0163364900000000 ] - [ 0.0006792100000000, 0.0000117500000000, -0.0158915400000000 ] - [ 0.0005955000000000, 0.0000212600000000, -0.0158478100000000 ] - [ 0.0014915000000000, 0.0016431400000000, 0.0146331000000000 ] - [ -0.0005768300000000, 0.0003401900000000, 0.0159070400000000 ] - [ -0.0007018300000000, 0.0000723700000000, 0.0157289800000000 ] - [ -0.0007023100000000, -0.0000899000000000, 0.0158802200000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008823900000000, -0.0377682300000000, -0.0019858800000000 ] - [ -0.0000251200000000, -0.0292679900000000, 0.0003584400000000 ] - [ 0.0005000700000000, -0.0304737200000000, -0.0007533400000000 ] - [ -0.0001597200000000, -0.0302788000000000, 0.0003316800000000 ] - [ 0.0014461100000000, 0.0310225800000000, -0.0006576200000000 ] - [ -0.0034265800000000, 0.0269038200000000, 0.0036185000000000 ] - [ 0.0000810800000000, 0.0303059900000000, -0.0001641000000000 ] - [ -0.0003342900000000, 0.0304032700000000, 0.0004492400000000 ] - [ 0.0004179400000000, -0.0320782400000000, -0.0042249800000000 ] - [ -0.0009588100000000, -0.0307760500000000, 0.0015495100000000 ] - [ -0.0000069600000000, -0.0302391800000000, 0.0001991700000000 ] - [ 0.0001933700000000, -0.0301657100000000, -0.0007273000000000 ] - [ -0.0001480300000000, 0.0318722100000000, -0.0000188000000000 ] - [ -0.0000122700000000, 0.0306734400000000, -0.0002186200000000 ] - [ -0.0001014600000000, 0.0303603500000000, 0.0004172500000000 ] - [ -0.0002478400000000, 0.0301549900000000, 0.0001806900000000 ] - [ -0.0062911600000000, -0.0014615700000000, -0.0075915800000000 ] - [ -0.0064063300000000, -0.0007182300000000, -0.0094218000000000 ] - [ -0.0062921200000000, -0.0002722000000000, -0.0096015800000000 ] - [ -0.0062730100000000, -0.0000662400000000, -0.0097122600000000 ] - [ 0.0038071400000000, -0.0146153700000000, 0.0028761500000000 ] - [ 0.0054444800000000, -0.0008105200000000, 0.0099240200000000 ] - [ 0.0062880900000000, 0.0000607900000000, 0.0096652100000000 ] - [ 0.0061202500000000, 0.0002696500000000, 0.0096617500000000 ] - [ -0.0086458600000000, -0.0071572200000000, -0.0055576200000000 ] - [ -0.0062245900000000, 0.0009107600000000, -0.0095085600000000 ] - [ -0.0061615700000000, -0.0001730100000000, -0.0095995700000000 ] - [ -0.0063267500000000, -0.0001078200000000, -0.0096971300000000 ] - [ 0.0077160900000000, 0.0014519900000000, 0.0099993800000000 ] - [ 0.0067172400000000, -0.0001745900000000, 0.0095819200000000 ] - [ 0.0062167600000000, 0.0001921800000000, 0.0097142300000000 ] - [ 0.0063829100000000, 0.0001603800000000, 0.0096386400000000 ] - [ 0.0077434500000000, 0.0795591800000000, -0.0128752100000000 ] - [ -0.0015328000000000, 0.0070658800000000, -0.0186296900000000 ] - [ -0.0017671600000000, 0.0069171000000000, -0.0185358700000000 ] - [ -0.0015383100000000, 0.0069745700000000, -0.0185989000000000 ] - [ -0.0024087000000000, 0.0070948600000000, 0.0202428500000000 ] - [ 0.0015101400000000, 0.0066177700000000, 0.0185345200000000 ] - [ 0.0013459200000000, 0.0073262200000000, 0.0187202000000000 ] - [ 0.0014270800000000, 0.0068953500000000, 0.0186424600000000 ] - [ 0.0011565600000000, -0.0075239700000000, 0.0185926300000000 ] - [ 0.0019317600000000, -0.0065446500000000, 0.0175446200000000 ] - [ 0.0015319300000000, -0.0071176800000000, 0.0185185200000000 ] - [ 0.0015152000000000, -0.0070091300000000, 0.0185613100000000 ] - [ -0.0053011600000000, -0.0111468600000000, -0.0216269500000000 ] - [ 0.0008629500000000, -0.0148364200000000, -0.0170583900000000 ] - [ -0.0014585300000000, -0.0069078700000000, -0.0184692500000000 ] - [ -0.0015125400000000, -0.0071045900000000, -0.0186549500000000 ] - [ -0.0119064100000000, -0.0000135300000000, -0.0052348400000000 ] - [ -0.0111170300000000, -0.0000760700000000, -0.0056914900000000 ] - [ -0.0113029400000000, -0.0000408300000000, -0.0055218000000000 ] - [ -0.0112772100000000, -0.0000240000000000, -0.0054512500000000 ] - [ 0.0138427700000000, -0.0021124300000000, 0.0042682300000000 ] - [ 0.0115861700000000, 0.0000659000000000, 0.0054129700000000 ] - [ 0.0111022400000000, -0.0000549200000000, 0.0054076300000000 ] - [ 0.0115386200000000, 0.0001708400000000, 0.0057155400000000 ] - [ 0.0028560700000000, -0.0038576000000000, -0.0236893600000000 ] - [ 0.0006741100000000, -0.0002876400000000, -0.0161354100000000 ] - [ 0.0011362200000000, -0.0001690600000000, -0.0148644000000000 ] - [ 0.0006121900000000, -0.0001062700000000, -0.0160837600000000 ] - [ 0.0049189800000000, -0.0009907500000000, 0.0139502600000000 ] - [ -0.0004282600000000, -0.0001973200000000, 0.0155049400000000 ] - [ -0.0005582400000000, 0.0000544700000000, 0.0159291900000000 ] - [ -0.0007089300000000, -0.0000343500000000, 0.0157077300000000 ] - [ -0.0018736600000000, 0.0070740200000000, -0.0185176200000000 ] - [ -0.0017869600000000, 0.0070664200000000, -0.0185470700000000 ] - [ -0.0015909200000000, 0.0070240200000000, -0.0186079600000000 ] - [ -0.0015421900000000, 0.0070084100000000, -0.0184777600000000 ] - [ -0.0046333200000000, 0.0029297900000000, 0.0165095500000000 ] - [ 0.0066843100000000, 0.0029462700000000, 0.0206670300000000 ] - [ 0.0015946100000000, 0.0071990400000000, 0.0183167700000000 ] - [ 0.0012774300000000, 0.0071876800000000, 0.0187649300000000 ] - [ 0.0007746200000000, -0.0099875000000000, 0.0174030700000000 ] - [ 0.0014069300000000, -0.0073640100000000, 0.0186842400000000 ] - [ 0.0014621700000000, -0.0069982400000000, 0.0184499300000000 ] - [ 0.0018122200000000, -0.0070956800000000, 0.0184406300000000 ] - [ -0.0015556700000000, -0.0078720700000000, -0.0192121900000000 ] - [ -0.0012930900000000, -0.0075810800000000, -0.0182724000000000 ] - [ -0.0014791600000000, -0.0070346700000000, -0.0186801000000000 ] - [ -0.0013243500000000, -0.0071821300000000, -0.0186951300000000 ] - [ -0.0105561500000000, -0.0042795500000000, 0.0024486100000000 ] - [ -0.0112961500000000, -0.0003104700000000, -0.0058725900000000 ] - [ -0.0119311300000000, -0.0003548200000000, -0.0067682100000000 ] - [ -0.0113892500000000, -0.0000823000000000, -0.0055912600000000 ] - [ 0.0083437200000000, -0.0013074100000000, 0.0059969300000000 ] - [ 0.0112436200000000, -0.0000772100000000, 0.0059381000000000 ] - [ 0.0114899000000000, -0.0001171000000000, 0.0055505200000000 ] - [ 0.0113134300000000, 0.0000657500000000, 0.0055021000000000 ] - [ 0.0008020600000000, 0.0002439000000000, -0.0158452500000000 ] - [ 0.0004306200000000, 0.0001524500000000, -0.0153159000000000 ] - [ 0.0005787100000000, -0.0000236900000000, -0.0157448200000000 ] - [ 0.0006693700000000, -0.0000028200000000, -0.0157994100000000 ] - [ -0.0027227700000000, -0.0016311200000000, 0.0170007300000000 ] - [ -0.0006750400000000, -0.0003396700000000, 0.0157341500000000 ] - [ -0.0005503300000000, -0.0000850800000000, 0.0159236600000000 ] - [ -0.0005643900000000, 0.0001049500000000, 0.0157596100000000 ]- atom: 33 displacement: [ 0.0000802568418282, 0.0000000000000000, 0.0099996779367808 ] forces: - [ -0.0192066000000000, -0.0337896700000000, 0.0129681100000000 ] - [ 0.0000478700000000, -0.0307567500000000, 0.0004794300000000 ] - [ 0.0005385100000000, -0.0305826600000000, -0.0022243400000000 ] - [ -0.0002361500000000, -0.0303164600000000, 0.0009793900000000 ] - [ -0.0019241700000000, 0.0309660000000000, 0.0012156700000000 ] - [ -0.0017000300000000, 0.0312234200000000, 0.0040151500000000 ] - [ 0.0003051800000000, 0.0300400700000000, -0.0000333700000000 ] - [ 0.0004849200000000, 0.0304956300000000, -0.0013113100000000 ] - [ 0.0008842000000000, -0.0290000500000000, 0.0023248100000000 ] - [ -0.0001878400000000, -0.0307177200000000, 0.0015258400000000 ] - [ 0.0003674100000000, -0.0300948600000000, -0.0004801500000000 ] - [ -0.0005366900000000, -0.0302166900000000, -0.0003008200000000 ] - [ -0.0022725400000000, 0.0303090900000000, 0.0060350200000000 ] - [ 0.0004211500000000, 0.0303210300000000, -0.0006354000000000 ] - [ -0.0008506500000000, 0.0299984600000000, 0.0025692800000000 ] - [ 0.0004205400000000, 0.0301120400000000, -0.0003248100000000 ] - [ -0.0065835400000000, -0.0028962800000000, -0.0079569700000000 ] - [ -0.0064335200000000, -0.0010802800000000, -0.0102566900000000 ] - [ -0.0062224400000000, -0.0003843800000000, -0.0097864700000000 ] - [ -0.0063436100000000, 0.0001191300000000, -0.0093918400000000 ] - [ 0.0181273500000000, 0.0204288600000000, 0.0356667900000000 ] - [ 0.0084351900000000, -0.0002225800000000, 0.0111714100000000 ] - [ 0.0059880700000000, 0.0003801600000000, 0.0094166700000000 ] - [ 0.0060255900000000, 0.0000345500000000, 0.0096898100000000 ] - [ 0.0026601800000000, -0.0144703300000000, 0.0134904600000000 ] - [ -0.0046531100000000, 0.0003736200000000, -0.0078262600000000 ] - [ -0.0063635500000000, -0.0002032700000000, -0.0092761600000000 ] - [ -0.0063984000000000, -0.0002977800000000, -0.0098232400000000 ] - [ 0.0062284100000000, 0.0029902900000000, 0.0107073700000000 ] - [ 0.0063361300000000, 0.0001499600000000, 0.0097629500000000 ] - [ 0.0062644800000000, 0.0003012900000000, 0.0095629100000000 ] - [ 0.0064030200000000, -0.0000616000000000, 0.0095831700000000 ] - [ 0.0050359100000000, 0.0004022500000000, -0.1167229900000000 ] - [ -0.0017239700000000, 0.0070689400000000, -0.0194758600000000 ] - [ -0.0019518400000000, 0.0069746400000000, -0.0183723700000000 ] - [ -0.0012796300000000, 0.0070565200000000, -0.0187860800000000 ] - [ -0.0047484200000000, 0.0087230800000000, 0.0246393000000000 ] - [ 0.0015566900000000, 0.0069912400000000, 0.0184752100000000 ] - [ 0.0012833300000000, 0.0071705500000000, 0.0190801400000000 ] - [ 0.0016139400000000, 0.0070946800000000, 0.0184042300000000 ] - [ 0.0019460000000000, -0.0070273900000000, 0.0182683600000000 ] - [ 0.0027549800000000, -0.0059989500000000, 0.0185008000000000 ] - [ 0.0016125500000000, -0.0069703300000000, 0.0187104800000000 ] - [ 0.0013168200000000, -0.0070167300000000, 0.0190162500000000 ] - [ -0.0024012000000000, -0.0101519600000000, -0.0215546400000000 ] - [ -0.0003560900000000, -0.0054388800000000, -0.0223720800000000 ] - [ -0.0013551200000000, -0.0069219000000000, -0.0188380600000000 ] - [ -0.0019340100000000, -0.0071021700000000, -0.0182429000000000 ] - [ -0.0115604800000000, 0.0008214000000000, -0.0056715200000000 ] - [ -0.0117262400000000, 0.0001374200000000, -0.0056791000000000 ] - [ -0.0114452400000000, 0.0000255700000000, -0.0058019700000000 ] - [ -0.0110147700000000, -0.0001247800000000, -0.0054975300000000 ] - [ 0.0070019100000000, -0.0011181000000000, 0.0043240900000000 ] - [ 0.0112661500000000, 0.0000252700000000, 0.0054399800000000 ] - [ 0.0112288700000000, 0.0000125800000000, 0.0054112100000000 ] - [ 0.0115093200000000, 0.0003624300000000, 0.0055100500000000 ] - [ -0.0040676500000000, 0.0075086100000000, -0.0055447200000000 ] - [ 0.0007410800000000, 0.0003705800000000, -0.0164796600000000 ] - [ 0.0009933100000000, -0.0001784100000000, -0.0150432200000000 ] - [ 0.0004447700000000, -0.0002264500000000, -0.0159774900000000 ] - [ 0.0010571600000000, 0.0001554300000000, 0.0145977800000000 ] - [ -0.0006723500000000, -0.0004378100000000, 0.0151033900000000 ] - [ -0.0006066400000000, 0.0002483900000000, 0.0163235100000000 ] - [ -0.0006916500000000, 0.0002089700000000, 0.0157117000000000 ] - [ -0.0019854400000000, 0.0070221800000000, -0.0189674200000000 ] - [ -0.0020375300000000, 0.0069583200000000, -0.0189623000000000 ] - [ -0.0015847900000000, 0.0069426500000000, -0.0185354000000000 ] - [ -0.0014297400000000, 0.0070496900000000, -0.0185323100000000 ] - [ 0.0041965700000000, 0.0091750600000000, 0.0188693000000000 ] - [ 0.0036081900000000, 0.0048889600000000, 0.0188638200000000 ] - [ 0.0014885100000000, 0.0072360500000000, 0.0186525000000000 ] - [ 0.0015233200000000, 0.0067554100000000, 0.0186412200000000 ] - [ 0.0078106300000000, -0.0058568100000000, 0.0225526600000000 ] - [ 0.0008384400000000, -0.0071282700000000, 0.0190118800000000 ] - [ 0.0005036600000000, -0.0068881300000000, 0.0192301100000000 ] - [ 0.0014467600000000, -0.0068982100000000, 0.0185832800000000 ] - [ -0.0000149400000000, -0.0076844000000000, -0.0209003200000000 ] - [ -0.0015539600000000, -0.0067214600000000, -0.0188128700000000 ] - [ -0.0010856300000000, -0.0071381300000000, -0.0192420800000000 ] - [ -0.0016995400000000, -0.0071491100000000, -0.0185534500000000 ] - [ -0.0131170100000000, -0.0080226600000000, 0.0055194800000000 ] - [ -0.0112700400000000, -0.0001081300000000, -0.0059491200000000 ] - [ -0.0104496400000000, 0.0006503100000000, -0.0042125800000000 ] - [ -0.0114791700000000, -0.0000264700000000, -0.0054444400000000 ] - [ 0.0116514400000000, 0.0005470000000000, 0.0042438400000000 ] - [ 0.0115382300000000, 0.0002425800000000, 0.0052946400000000 ] - [ 0.0114224900000000, -0.0002511900000000, 0.0058334800000000 ] - [ 0.0111401900000000, 0.0000292700000000, 0.0054973700000000 ] - [ 0.0006790700000000, -0.0000694300000000, -0.0163686300000000 ] - [ 0.0007516200000000, -0.0003853300000000, -0.0159173000000000 ] - [ 0.0006016500000000, -0.0000293600000000, -0.0160556200000000 ] - [ 0.0006354600000000, -0.0000136300000000, -0.0156997000000000 ] - [ -0.0042982900000000, 0.0008044200000000, 0.0146483600000000 ] - [ -0.0003368600000000, 0.0001641300000000, 0.0160201500000000 ] - [ -0.0008639400000000, 0.0001431500000000, 0.0155951100000000 ] - [ -0.0004825700000000, -0.0000353800000000, 0.0161036000000000 ]- atom: 33 displacement: [ -0.0000802568418282, 0.0000000000000000, -0.0099996779367808 ] forces: - [ 0.0185656800000000, -0.0267508000000000, -0.0128382000000000 ] - [ -0.0000027500000000, -0.0297277400000000, -0.0004803500000000 ] - [ -0.0005457000000000, -0.0299204900000000, 0.0022723200000000 ] - [ 0.0002521800000000, -0.0301928300000000, -0.0009804800000000 ] - [ 0.0019959400000000, 0.0295001400000000, -0.0012228800000000 ] - [ 0.0018724300000000, 0.0293185700000000, -0.0040572900000000 ] - [ -0.0003103600000000, 0.0304768500000000, 0.0000237000000000 ] - [ -0.0004970000000000, 0.0300165900000000, 0.0013133300000000 ] - [ -0.0009970400000000, -0.0315089700000000, -0.0022773100000000 ] - [ 0.0001798400000000, -0.0297720800000000, -0.0015683300000000 ] - [ -0.0003631800000000, -0.0304285600000000, 0.0004769900000000 ] - [ 0.0005367200000000, -0.0302979100000000, 0.0003055200000000 ] - [ 0.0023111000000000, 0.0301941100000000, -0.0061242300000000 ] - [ -0.0004585000000000, 0.0301887000000000, 0.0006595900000000 ] - [ 0.0008471700000000, 0.0305182000000000, -0.0025870000000000 ] - [ -0.0004268900000000, 0.0304133000000000, 0.0003225600000000 ] - [ -0.0059720600000000, 0.0029060600000000, -0.0112785400000000 ] - [ -0.0061135400000000, 0.0011405700000000, -0.0089109400000000 ] - [ -0.0063334600000000, 0.0003563900000000, -0.0094087700000000 ] - [ -0.0062122000000000, -0.0000997300000000, -0.0097993200000000 ] - [ -0.0051090200000000, -0.0196314000000000, -0.0159616400000000 ] - [ 0.0040595800000000, 0.0002588300000000, 0.0080303300000000 ] - [ 0.0065649500000000, -0.0004193300000000, 0.0097830600000000 ] - [ 0.0065302300000000, -0.0000184500000000, 0.0095064100000000 ] - [ -0.0147174300000000, 0.0138877900000000, -0.0323669000000000 ] - [ -0.0078883300000000, -0.0003808900000000, -0.0113699300000000 ] - [ -0.0061818900000000, 0.0002297400000000, -0.0099282500000000 ] - [ -0.0061650800000000, 0.0002967400000000, -0.0093732300000000 ] - [ 0.0063201600000000, -0.0030223200000000, 0.0084992300000000 ] - [ 0.0062325200000000, -0.0001833100000000, 0.0094194400000000 ] - [ 0.0062823200000000, -0.0002779200000000, 0.0096289100000000 ] - [ 0.0061638700000000, 0.0000580100000000, 0.0096153300000000 ] - [ -0.0082457700000000, 0.0135051000000000, 0.0782222400000000 ] - [ -0.0013350700000000, 0.0069636700000000, -0.0177084200000000 ] - [ -0.0010969700000000, 0.0070763700000000, -0.0187954200000000 ] - [ -0.0017855600000000, 0.0069900500000000, -0.0183624600000000 ] - [ 0.0079223200000000, 0.0053462900000000, 0.0125248100000000 ] - [ 0.0014814000000000, 0.0070476000000000, 0.0186800800000000 ] - [ 0.0017831200000000, 0.0068780100000000, 0.0180623600000000 ] - [ 0.0014476600000000, 0.0069489300000000, 0.0187432400000000 ] - [ 0.0010489000000000, -0.0070016600000000, 0.0188860900000000 ] - [ 0.0002180300000000, -0.0080683500000000, 0.0186600300000000 ] - [ 0.0014445400000000, -0.0070729100000000, 0.0184408400000000 ] - [ 0.0017314200000000, -0.0070481200000000, 0.0181332300000000 ] - [ -0.0006599400000000, -0.0039211000000000, -0.0156401900000000 ] - [ -0.0026697600000000, -0.0085333100000000, -0.0147886000000000 ] - [ -0.0017013800000000, -0.0071269400000000, -0.0183041600000000 ] - [ -0.0011126000000000, -0.0069538600000000, -0.0189211500000000 ] - [ -0.0110205200000000, -0.0008589400000000, -0.0054226200000000 ] - [ -0.0108236700000000, -0.0001384900000000, -0.0053848600000000 ] - [ -0.0111090000000000, -0.0000286900000000, -0.0052501900000000 ] - [ -0.0115373500000000, 0.0001302900000000, -0.0055506900000000 ] - [ 0.0155800600000000, 0.0010621800000000, 0.0067325200000000 ] - [ 0.0113262400000000, -0.0000248400000000, 0.0056165700000000 ] - [ 0.0113398200000000, -0.0000247200000000, 0.0056349800000000 ] - [ 0.0110487200000000, -0.0003686600000000, 0.0055364000000000 ] - [ 0.0052344900000000, -0.0073344400000000, -0.0260248600000000 ] - [ 0.0005414800000000, -0.0003708000000000, -0.0151283600000000 ] - [ 0.0002598500000000, 0.0002014800000000, -0.0166218500000000 ] - [ 0.0008328700000000, 0.0002185200000000, -0.0156665300000000 ] - [ -0.0022981600000000, -0.0001792500000000, 0.0170852100000000 ] - [ -0.0005818500000000, 0.0004534800000000, 0.0165452800000000 ] - [ -0.0006517800000000, -0.0002333900000000, 0.0153190700000000 ] - [ -0.0005714500000000, -0.0002209700000000, 0.0159496500000000 ] - [ -0.0010353800000000, 0.0070674600000000, -0.0181878000000000 ] - [ -0.0010131600000000, 0.0070679800000000, -0.0181846700000000 ] - [ -0.0014587600000000, 0.0071302300000000, -0.0186207300000000 ] - [ -0.0016306600000000, 0.0069949500000000, -0.0186127800000000 ] - [ -0.0011344300000000, 0.0049091800000000, 0.0183265300000000 ] - [ -0.0005753300000000, 0.0091420900000000, 0.0183134800000000 ] - [ 0.0015502500000000, 0.0068388200000000, 0.0185076400000000 ] - [ 0.0015276800000000, 0.0072836200000000, 0.0184955600000000 ] - [ -0.0046999100000000, -0.0082025700000000, 0.0147631800000000 ] - [ 0.0022412100000000, -0.0069281700000000, 0.0181482900000000 ] - [ 0.0025768300000000, -0.0071604800000000, 0.0179063400000000 ] - [ 0.0015999600000000, -0.0071639600000000, 0.0185638800000000 ] - [ -0.0030931800000000, -0.0063764600000000, -0.0162140000000000 ] - [ -0.0015176100000000, -0.0073439400000000, -0.0183392400000000 ] - [ -0.0019687500000000, -0.0069081800000000, -0.0179038000000000 ] - [ -0.0013451000000000, -0.0069174500000000, -0.0185872700000000 ] - [ -0.0096765500000000, 0.0077709400000000, -0.0163648300000000 ] - [ -0.0112965900000000, 0.0001149500000000, -0.0050868100000000 ] - [ -0.0121307400000000, -0.0006598000000000, -0.0068642500000000 ] - [ -0.0111085400000000, 0.0000329600000000, -0.0056263000000000 ] - [ 0.0109280200000000, -0.0005607900000000, 0.0068493100000000 ] - [ 0.0109947100000000, -0.0002473600000000, 0.0057681500000000 ] - [ 0.0111535400000000, 0.0002494800000000, 0.0052122600000000 ] - [ 0.0114347900000000, -0.0000337000000000, 0.0055737800000000 ] - [ 0.0005529500000000, 0.0000802800000000, -0.0152597000000000 ] - [ 0.0004806300000000, 0.0003831600000000, -0.0157510900000000 ] - [ 0.0006464600000000, 0.0000272400000000, -0.0155772800000000 ] - [ 0.0006116600000000, 0.0000124100000000, -0.0159651000000000 ] - [ 0.0030083000000000, -0.0007564000000000, 0.0169891900000000 ] - [ -0.0009202400000000, -0.0001723400000000, 0.0156143800000000 ] - [ -0.0003877800000000, -0.0001481900000000, 0.0160396900000000 ] - [ -0.0007745900000000, 0.0000336900000000, 0.0155486500000000 ]- atom: 49 displacement: [ 0.0099886079741412, 0.0000000000000000, 0.0004771904639897 ] forces: - [ 0.0041515700000000, -0.0310787500000000, -0.0018649500000000 ] - [ 0.0004371700000000, -0.0310882100000000, 0.0004364000000000 ] - [ -0.0003601100000000, -0.0302399800000000, 0.0004097000000000 ] - [ 0.0007586600000000, -0.0302052300000000, -0.0008544300000000 ] - [ 0.0041515700000000, 0.0310787500000000, -0.0018649500000000 ] - [ 0.0004371700000000, 0.0310882100000000, 0.0004364000000000 ] - [ -0.0003601100000000, 0.0302399800000000, 0.0004097000000000 ] - [ 0.0007586600000000, 0.0302052300000000, -0.0008544300000000 ] - [ 0.0297677500000000, -0.0467350000000000, 0.0287917300000000 ] - [ 0.0005976200000000, -0.0297986900000000, 0.0002991700000000 ] - [ 0.0001588500000000, -0.0301470400000000, -0.0004785100000000 ] - [ -0.0000366500000000, -0.0304411500000000, 0.0004300200000000 ] - [ 0.0297677500000000, 0.0467350000000000, 0.0287917300000000 ] - [ 0.0005976200000000, 0.0297986900000000, 0.0002991700000000 ] - [ 0.0001588500000000, 0.0301470400000000, -0.0004785100000000 ] - [ -0.0000366500000000, 0.0304411500000000, 0.0004300200000000 ] - [ -0.0002025900000000, 0.0000000000000000, -0.0146252100000000 ] - [ -0.0062779400000000, 0.0000000000000000, -0.0092985100000000 ] - [ -0.0063987000000000, 0.0000000000000000, -0.0090872200000000 ] - [ -0.0062697400000000, 0.0000000000000000, -0.0094836300000000 ] - [ 0.0058449700000000, 0.0000000000000000, 0.0087635100000000 ] - [ 0.0061787200000000, 0.0000000000000000, 0.0099548400000000 ] - [ 0.0068009700000000, 0.0000000000000000, 0.0088402100000000 ] - [ 0.0063102600000000, 0.0000000000000000, 0.0097104900000000 ] - [ -0.0067817000000000, -0.0013597500000000, -0.0090959000000000 ] - [ -0.0067817000000000, 0.0013597500000000, -0.0090959000000000 ] - [ -0.0064296100000000, 0.0004402200000000, -0.0094029900000000 ] - [ -0.0064296100000000, -0.0004402200000000, -0.0094029900000000 ] - [ 0.0066426300000000, -0.0010822200000000, 0.0089428700000000 ] - [ 0.0066426300000000, 0.0010822200000000, 0.0089428700000000 ] - [ 0.0062287200000000, 0.0005251400000000, 0.0095375600000000 ] - [ 0.0062287200000000, -0.0005251400000000, 0.0095375600000000 ] - [ -0.0018500700000000, 0.0076390300000000, -0.0188306700000000 ] - [ -0.0014574400000000, 0.0069127900000000, -0.0191012700000000 ] - [ -0.0012369800000000, 0.0070345900000000, -0.0186931500000000 ] - [ -0.0020190100000000, 0.0069945700000000, -0.0182631400000000 ] - [ 0.0024133600000000, 0.0094449700000000, 0.0142656700000000 ] - [ 0.0010493800000000, 0.0073535500000000, 0.0186023200000000 ] - [ 0.0013033500000000, 0.0068325700000000, 0.0184426700000000 ] - [ 0.0014313800000000, 0.0072722400000000, 0.0187510300000000 ] - [ 0.0024133600000000, -0.0094449700000000, 0.0142656700000000 ] - [ 0.0010493800000000, -0.0073535500000000, 0.0186023200000000 ] - [ 0.0013033500000000, -0.0068325700000000, 0.0184426700000000 ] - [ 0.0014313800000000, -0.0072722400000000, 0.0187510300000000 ] - [ -0.0018500700000000, -0.0076390300000000, -0.0188306700000000 ] - [ -0.0014574400000000, -0.0069127900000000, -0.0191012700000000 ] - [ -0.0012369800000000, -0.0070345900000000, -0.0186931500000000 ] - [ -0.0020190100000000, -0.0069945700000000, -0.0182631400000000 ] - [ -0.1042034200000000, 0.0000000000000000, -0.0454235000000000 ] - [ -0.0113825100000000, 0.0000000000000000, -0.0056284200000000 ] - [ -0.0110145600000000, 0.0000000000000000, -0.0051512700000000 ] - [ -0.0115108900000000, 0.0000000000000000, -0.0057931700000000 ] - [ 0.0114131600000000, 0.0000000000000000, 0.0077142700000000 ] - [ 0.0108394400000000, 0.0000000000000000, 0.0047241200000000 ] - [ 0.0104500500000000, 0.0000000000000000, 0.0059059600000000 ] - [ 0.0112891100000000, 0.0000000000000000, 0.0056351700000000 ] - [ 0.0006183600000000, 0.0000000000000000, -0.0161243200000000 ] - [ 0.0007588000000000, 0.0000000000000000, -0.0155803400000000 ] - [ 0.0007013500000000, 0.0000000000000000, -0.0160227700000000 ] - [ 0.0006910400000000, 0.0000000000000000, -0.0156961500000000 ] - [ 0.0068516900000000, 0.0000000000000000, 0.0140345400000000 ] - [ -0.0008516500000000, 0.0000000000000000, 0.0158711400000000 ] - [ -0.0008181400000000, 0.0000000000000000, 0.0157002800000000 ] - [ -0.0005559800000000, 0.0000000000000000, 0.0162467000000000 ] - [ 0.0013318600000000, 0.0059078200000000, -0.0199704000000000 ] - [ -0.0013966000000000, 0.0070496500000000, -0.0186194900000000 ] - [ -0.0010662700000000, 0.0077110100000000, -0.0176267000000000 ] - [ -0.0014960500000000, 0.0071116100000000, -0.0187080600000000 ] - [ 0.0062816100000000, 0.0041617700000000, 0.0189259900000000 ] - [ 0.0012344800000000, 0.0070243600000000, 0.0188669700000000 ] - [ 0.0015610100000000, 0.0072138800000000, 0.0186828000000000 ] - [ 0.0016697100000000, 0.0070264500000000, 0.0183822900000000 ] - [ 0.0062816100000000, -0.0041617700000000, 0.0189259900000000 ] - [ 0.0012344800000000, -0.0070243600000000, 0.0188669700000000 ] - [ 0.0015610100000000, -0.0072138800000000, 0.0186828000000000 ] - [ 0.0016697100000000, -0.0070264500000000, 0.0183822900000000 ] - [ 0.0013318600000000, -0.0059078200000000, -0.0199704000000000 ] - [ -0.0013966000000000, -0.0070496500000000, -0.0186194900000000 ] - [ -0.0010662700000000, -0.0077110100000000, -0.0176267000000000 ] - [ -0.0014960500000000, -0.0071116100000000, -0.0187080600000000 ] - [ -0.0113191100000000, 0.0002536600000000, -0.0051076100000000 ] - [ -0.0113191100000000, -0.0002536600000000, -0.0051076100000000 ] - [ -0.0113481400000000, -0.0000016600000000, -0.0056128200000000 ] - [ -0.0113481400000000, 0.0000016600000000, -0.0056128200000000 ] - [ 0.0110848900000000, 0.0007445300000000, 0.0056617300000000 ] - [ 0.0110848900000000, -0.0007445300000000, 0.0056617300000000 ] - [ 0.0114251000000000, 0.0000416600000000, 0.0055705500000000 ] - [ 0.0114251000000000, -0.0000416600000000, 0.0055705500000000 ] - [ -0.0021845600000000, -0.0003753800000000, -0.0168016200000000 ] - [ -0.0021845600000000, 0.0003753800000000, -0.0168016200000000 ] - [ 0.0006531600000000, -0.0001099400000000, -0.0160811000000000 ] - [ 0.0006531600000000, 0.0001099400000000, -0.0160811000000000 ] - [ -0.0000372600000000, 0.0039848600000000, 0.0166466600000000 ] - [ -0.0000372600000000, -0.0039848600000000, 0.0166466600000000 ] - [ -0.0007936300000000, 0.0001934700000000, 0.0158733200000000 ] - [ -0.0007936300000000, -0.0001934700000000, 0.0158733200000000 ]- atom: 49 displacement: [ -0.0099886079741412, 0.0000000000000000, -0.0004771904639897 ] forces: - [ -0.0041846900000000, -0.0293935900000000, 0.0017896400000000 ] - [ -0.0004978100000000, -0.0294485700000000, -0.0004010500000000 ] - [ 0.0003379600000000, -0.0304026000000000, -0.0003873500000000 ] - [ -0.0007819100000000, -0.0304660900000000, 0.0009117900000000 ] - [ -0.0041846900000000, 0.0293935900000000, 0.0017896400000000 ] - [ -0.0004978100000000, 0.0294485700000000, -0.0004010500000000 ] - [ 0.0003379600000000, 0.0304026000000000, -0.0003873500000000 ] - [ -0.0007819100000000, 0.0304660900000000, 0.0009117900000000 ] - [ -0.0299414100000000, -0.0131207500000000, -0.0293284500000000 ] - [ -0.0005829000000000, -0.0306249800000000, -0.0003288900000000 ] - [ -0.0001464500000000, -0.0304093100000000, 0.0004601000000000 ] - [ 0.0000648500000000, -0.0301088300000000, -0.0004789400000000 ] - [ -0.0299414100000000, 0.0131207500000000, -0.0293284500000000 ] - [ -0.0005829000000000, 0.0306249800000000, -0.0003288900000000 ] - [ -0.0001464500000000, 0.0304093100000000, 0.0004601000000000 ] - [ 0.0000648500000000, 0.0301088300000000, -0.0004789400000000 ] - [ -0.0111583100000000, 0.0000000000000000, -0.0055633200000000 ] - [ -0.0062430200000000, 0.0000000000000000, -0.0098399500000000 ] - [ -0.0061776600000000, 0.0000000000000000, -0.0100829500000000 ] - [ -0.0063392000000000, 0.0000000000000000, -0.0097117300000000 ] - [ 0.0066208800000000, 0.0000000000000000, 0.0103689000000000 ] - [ 0.0063408900000000, 0.0000000000000000, 0.0091792600000000 ] - [ 0.0057610900000000, 0.0000000000000000, 0.0103442000000000 ] - [ 0.0062912500000000, 0.0000000000000000, 0.0094923900000000 ] - [ -0.0057751000000000, 0.0014120700000000, -0.0100722400000000 ] - [ -0.0057751000000000, -0.0014120700000000, -0.0100722400000000 ] - [ -0.0061732400000000, -0.0004263600000000, -0.0098611900000000 ] - [ -0.0061732400000000, 0.0004263600000000, -0.0098611900000000 ] - [ 0.0058730100000000, 0.0011276200000000, 0.0102709800000000 ] - [ 0.0058730100000000, -0.0011276200000000, 0.0102709800000000 ] - [ 0.0063777400000000, -0.0005113800000000, 0.0097154600000000 ] - [ 0.0063777400000000, 0.0005113800000000, 0.0097154600000000 ] - [ -0.0012388400000000, 0.0063929800000000, -0.0182281400000000 ] - [ -0.0015941100000000, 0.0071781800000000, -0.0180572700000000 ] - [ -0.0019580600000000, 0.0069932000000000, -0.0183445400000000 ] - [ -0.0011671800000000, 0.0070487400000000, -0.0187955000000000 ] - [ 0.0008552800000000, 0.0045004300000000, 0.0229053400000000 ] - [ 0.0020427600000000, 0.0067318000000000, 0.0185340300000000 ] - [ 0.0019161100000000, 0.0072062400000000, 0.0185793100000000 ] - [ 0.0017803800000000, 0.0067680400000000, 0.0182891000000000 ] - [ 0.0008552800000000, -0.0045004300000000, 0.0229053400000000 ] - [ 0.0020427600000000, -0.0067318000000000, 0.0185340300000000 ] - [ 0.0019161100000000, -0.0072062400000000, 0.0185793100000000 ] - [ 0.0017803800000000, -0.0067680400000000, 0.0182891000000000 ] - [ -0.0012388400000000, -0.0063929800000000, -0.0182281400000000 ] - [ -0.0015941100000000, -0.0071781800000000, -0.0180572700000000 ] - [ -0.0019580600000000, -0.0069932000000000, -0.0183445400000000 ] - [ -0.0011671800000000, -0.0070487400000000, -0.0187955000000000 ] - [ 0.0810991400000000, 0.0000000000000000, 0.0372043600000000 ] - [ -0.0109870900000000, 0.0000000000000000, -0.0051953600000000 ] - [ -0.0115065300000000, 0.0000000000000000, -0.0058902800000000 ] - [ -0.0110261300000000, 0.0000000000000000, -0.0052277300000000 ] - [ 0.0107384200000000, 0.0000000000000000, 0.0027765900000000 ] - [ 0.0115331700000000, 0.0000000000000000, 0.0061242800000000 ] - [ 0.0120977100000000, 0.0000000000000000, 0.0051292700000000 ] - [ 0.0112440100000000, 0.0000000000000000, 0.0054087000000000 ] - [ 0.0005829000000000, 0.0000000000000000, -0.0155391700000000 ] - [ 0.0004658300000000, 0.0000000000000000, -0.0160838300000000 ] - [ 0.0005092600000000, 0.0000000000000000, -0.0157484700000000 ] - [ 0.0004925500000000, 0.0000000000000000, -0.0160878500000000 ] - [ -0.0080142000000000, 0.0000000000000000, 0.0176323400000000 ] - [ -0.0003590200000000, 0.0000000000000000, 0.0157637800000000 ] - [ -0.0003819100000000, 0.0000000000000000, 0.0160716200000000 ] - [ -0.0006288800000000, 0.0000000000000000, 0.0155101600000000 ] - [ -0.0040593600000000, 0.0082093300000000, -0.0174756100000000 ] - [ -0.0015806000000000, 0.0069928000000000, -0.0186180900000000 ] - [ -0.0019901600000000, 0.0063200600000000, -0.0195244800000000 ] - [ -0.0015624600000000, 0.0069356000000000, -0.0184578100000000 ] - [ -0.0036102900000000, 0.0099843800000000, 0.0183471900000000 ] - [ 0.0017114800000000, 0.0070407300000000, 0.0183577900000000 ] - [ 0.0014808000000000, 0.0068182700000000, 0.0184843400000000 ] - [ 0.0013632000000000, 0.0070182200000000, 0.0187950700000000 ] - [ -0.0036102900000000, -0.0099843800000000, 0.0183471900000000 ] - [ 0.0017114800000000, -0.0070407300000000, 0.0183577900000000 ] - [ 0.0014808000000000, -0.0068182700000000, 0.0184843400000000 ] - [ 0.0013632000000000, -0.0070182200000000, 0.0187950700000000 ] - [ -0.0040593600000000, -0.0082093300000000, -0.0174756100000000 ] - [ -0.0015806000000000, -0.0069928000000000, -0.0186180900000000 ] - [ -0.0019901600000000, -0.0063200600000000, -0.0195244800000000 ] - [ -0.0015624600000000, -0.0069356000000000, -0.0184578100000000 ] - [ -0.0113054400000000, -0.0002041300000000, -0.0060216300000000 ] - [ -0.0113054400000000, 0.0002041300000000, -0.0060216300000000 ] - [ -0.0114867200000000, 0.0000263500000000, -0.0057538300000000 ] - [ -0.0114867200000000, -0.0000263500000000, -0.0057538300000000 ] - [ 0.0115517500000000, -0.0006915300000000, 0.0054624500000000 ] - [ 0.0115517500000000, 0.0006915300000000, 0.0054624500000000 ] - [ 0.0114011200000000, -0.0000229200000000, 0.0057736200000000 ] - [ 0.0114011200000000, 0.0000229200000000, 0.0057736200000000 ] - [ 0.0035375800000000, 0.0003533400000000, -0.0146837400000000 ] - [ 0.0035375800000000, -0.0003533400000000, -0.0146837400000000 ] - [ 0.0006520200000000, 0.0001282200000000, -0.0155468600000000 ] - [ 0.0006520200000000, -0.0001282200000000, -0.0155468600000000 ] - [ -0.0012838000000000, -0.0040905700000000, 0.0148767100000000 ] - [ -0.0012838000000000, 0.0040905700000000, 0.0148767100000000 ] - [ -0.0005031000000000, -0.0001932100000000, 0.0157950900000000 ] - [ -0.0005031000000000, 0.0001932100000000, 0.0157950900000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0020172100000000, -0.0292171800000000, -0.0012592300000000 ] - [ 0.0010463100000000, -0.0304605400000000, -0.0000137200000000 ] - [ 0.0005212000000000, -0.0302686300000000, -0.0002903100000000 ] - [ 0.0000446400000000, -0.0301745800000000, 0.0003451400000000 ] - [ -0.0021024000000000, 0.0313860900000000, 0.0013215300000000 ] - [ -0.0010463700000000, 0.0301142400000000, 0.0000151000000000 ] - [ -0.0005332800000000, 0.0302972100000000, 0.0003112100000000 ] - [ -0.0000439400000000, 0.0304503600000000, -0.0003471000000000 ] - [ -0.0157945700000000, -0.0045350900000000, -0.0281073600000000 ] - [ 0.0002604300000000, -0.0300236200000000, 0.0003440300000000 ] - [ 0.0006719700000000, -0.0301154900000000, -0.0010001400000000 ] - [ -0.0000859000000000, -0.0303548800000000, -0.0004291800000000 ] - [ 0.0150830800000000, 0.0551868000000000, 0.0272473200000000 ] - [ -0.0002617000000000, 0.0305175500000000, -0.0003929400000000 ] - [ -0.0006681300000000, 0.0302613400000000, 0.0009999300000000 ] - [ 0.0000929600000000, 0.0301130400000000, 0.0004229100000000 ] - [ -0.0062101800000000, 0.0090116000000000, -0.0097030700000000 ] - [ -0.0062758600000000, -0.0001111000000000, -0.0095864200000000 ] - [ -0.0062693400000000, -0.0005851400000000, -0.0095652900000000 ] - [ -0.0062745800000000, 0.0000724400000000, -0.0095733300000000 ] - [ 0.0062853300000000, 0.0010963800000000, 0.0095720200000000 ] - [ 0.0062790100000000, 0.0002460000000000, 0.0095826700000000 ] - [ 0.0062706700000000, 0.0003919700000000, 0.0095653400000000 ] - [ 0.0062742100000000, -0.0001605000000000, 0.0095755100000000 ] - [ -0.0071314000000000, -0.0008140000000000, -0.0096604600000000 ] - [ -0.0054430300000000, -0.0008223500000000, -0.0095712000000000 ] - [ -0.0062220100000000, -0.0002146900000000, -0.0096744000000000 ] - [ -0.0063521300000000, -0.0002196300000000, -0.0095756600000000 ] - [ 0.0053759200000000, -0.0007276800000000, 0.0111932300000000 ] - [ 0.0072309500000000, -0.0007425300000000, 0.0080093500000000 ] - [ 0.0065946400000000, 0.0002529600000000, 0.0093448600000000 ] - [ 0.0059800800000000, 0.0002557500000000, 0.0099071600000000 ] - [ -0.0026255000000000, 0.0070385700000000, -0.0176595600000000 ] - [ -0.0021265100000000, 0.0071058000000000, -0.0184033700000000 ] - [ -0.0018302700000000, 0.0070550200000000, -0.0184791200000000 ] - [ -0.0015286100000000, 0.0070561000000000, -0.0186574100000000 ] - [ -0.0062018400000000, 0.0090916200000000, 0.0196973700000000 ] - [ 0.0010190500000000, 0.0069669200000000, 0.0185222300000000 ] - [ 0.0011847100000000, 0.0070697600000000, 0.0184869100000000 ] - [ 0.0016726200000000, 0.0068621100000000, 0.0181610600000000 ] - [ 0.0094693400000000, -0.0048879200000000, 0.0174551900000000 ] - [ 0.0021156600000000, -0.0070855200000000, 0.0185639800000000 ] - [ 0.0020009900000000, -0.0069725500000000, 0.0185500800000000 ] - [ 0.0014581900000000, -0.0072144300000000, 0.0189303300000000 ] - [ -0.0004796300000000, -0.0070290400000000, -0.0194185500000000 ] - [ -0.0010032600000000, -0.0069548800000000, -0.0186869000000000 ] - [ -0.0013490500000000, -0.0069878800000000, -0.0185672400000000 ] - [ -0.0016058200000000, -0.0070164300000000, -0.0184339500000000 ] - [ -0.0105805000000000, -0.0999986500000000, -0.0044277700000000 ] - [ -0.0112548000000000, -0.0000524800000000, -0.0054987400000000 ] - [ -0.0111344400000000, -0.0001276200000000, -0.0053547700000000 ] - [ -0.0112197500000000, -0.0001868100000000, -0.0054587800000000 ] - [ 0.0111962200000000, 0.0001251400000000, 0.0054290400000000 ] - [ 0.0112453300000000, 0.0001319900000000, 0.0055093600000000 ] - [ 0.0111279700000000, 0.0003846600000000, 0.0053618800000000 ] - [ 0.0112147500000000, 0.0002778000000000, 0.0054640100000000 ] - [ 0.0005890900000000, -0.0002540800000000, -0.0158556100000000 ] - [ 0.0006033300000000, 0.0000467600000000, -0.0158587600000000 ] - [ 0.0005800900000000, -0.0001739500000000, -0.0158786300000000 ] - [ 0.0005980500000000, -0.0001349300000000, -0.0158601200000000 ] - [ -0.0006312100000000, -0.0017602200000000, 0.0158540400000000 ] - [ -0.0006054000000000, 0.0000340100000000, 0.0158620800000000 ] - [ -0.0005802600000000, -0.0000204700000000, 0.0158716200000000 ] - [ -0.0005955200000000, 0.0000882300000000, 0.0158600900000000 ] - [ 0.0001535900000000, 0.0112872800000000, -0.0265684400000000 ] - [ -0.0017318700000000, 0.0073504400000000, -0.0186922500000000 ] - [ -0.0016903900000000, 0.0073761800000000, -0.0179586200000000 ] - [ -0.0016628000000000, 0.0070995400000000, -0.0186166100000000 ] - [ -0.0024696700000000, 0.0083546700000000, 0.0180594000000000 ] - [ 0.0015262800000000, 0.0071058600000000, 0.0183410800000000 ] - [ 0.0011369600000000, 0.0071459000000000, 0.0188722200000000 ] - [ 0.0014733900000000, 0.0069518200000000, 0.0185543200000000 ] - [ 0.0053856200000000, -0.0057259500000000, 0.0191683100000000 ] - [ 0.0015003700000000, -0.0069509500000000, 0.0188398800000000 ] - [ 0.0017625100000000, -0.0069266500000000, 0.0184170600000000 ] - [ 0.0015266000000000, -0.0070931900000000, 0.0186436200000000 ] - [ -0.0030779300000000, -0.0028067300000000, -0.0108099400000000 ] - [ -0.0013087600000000, -0.0067107900000000, -0.0184782000000000 ] - [ -0.0012082200000000, -0.0066898000000000, -0.0193205100000000 ] - [ -0.0013370900000000, -0.0069456200000000, -0.0185831400000000 ] - [ -0.0116045300000000, 0.0009546400000000, -0.0056344000000000 ] - [ -0.0111203500000000, 0.0009508200000000, -0.0056052000000000 ] - [ -0.0113580700000000, 0.0001003600000000, -0.0056455500000000 ] - [ -0.0114213600000000, 0.0000605100000000, -0.0056332400000000 ] - [ 0.0120916600000000, -0.0001332800000000, 0.0055490100000000 ] - [ 0.0106198100000000, -0.0001389500000000, 0.0056816400000000 ] - [ 0.0113971400000000, -0.0000811100000000, 0.0057853200000000 ] - [ 0.0113808100000000, -0.0001245800000000, 0.0054896400000000 ] - [ 0.0023964000000000, 0.0079624400000000, -0.0152601000000000 ] - [ -0.0011333000000000, 0.0081775100000000, -0.0163162000000000 ] - [ 0.0007947500000000, 0.0002516200000000, -0.0157437200000000 ] - [ 0.0005195600000000, 0.0003403700000000, -0.0158186100000000 ] - [ 0.0014871600000000, 0.0032862200000000, 0.0183549700000000 ] - [ -0.0027575500000000, 0.0033420600000000, 0.0132725600000000 ] - [ -0.0006401000000000, -0.0002202500000000, 0.0156931200000000 ] - [ -0.0006674300000000, -0.0001331000000000, 0.0158751200000000 ]- atom: 49 displacement: [ 0.0000802568418282, 0.0000000000000000, 0.0099996779367808 ] forces: - [ -0.0033574000000000, -0.0304676700000000, 0.0020926400000000 ] - [ -0.0005902600000000, -0.0300533400000000, 0.0004490200000000 ] - [ -0.0014223500000000, -0.0302816700000000, 0.0023186400000000 ] - [ -0.0005144400000000, -0.0298921600000000, 0.0013335000000000 ] - [ -0.0033574000000000, 0.0304676700000000, 0.0020926400000000 ] - [ -0.0005902600000000, 0.0300533400000000, 0.0004490200000000 ] - [ -0.0014223500000000, 0.0302816700000000, 0.0023186400000000 ] - [ -0.0005144400000000, 0.0298921600000000, 0.0013335000000000 ] - [ 0.0278210800000000, -0.0524331600000000, 0.0393238500000000 ] - [ 0.0017434000000000, -0.0300143800000000, -0.0008822600000000 ] - [ 0.0012330000000000, -0.0299191400000000, -0.0020986100000000 ] - [ 0.0008229200000000, -0.0303235400000000, -0.0011703800000000 ] - [ 0.0278210800000000, 0.0524331600000000, 0.0393238500000000 ] - [ 0.0017434000000000, 0.0300143800000000, -0.0008822600000000 ] - [ 0.0012330000000000, 0.0299191400000000, -0.0020986100000000 ] - [ 0.0008229200000000, 0.0303235400000000, -0.0011703800000000 ] - [ -0.0249160200000000, 0.0000000000000000, 0.0154775300000000 ] - [ -0.0058641900000000, 0.0000000000000000, -0.0087604900000000 ] - [ -0.0066891500000000, 0.0000000000000000, -0.0092099400000000 ] - [ -0.0063144200000000, 0.0000000000000000, -0.0094928800000000 ] - [ 0.0064939800000000, 0.0000000000000000, 0.0094089700000000 ] - [ 0.0056773300000000, 0.0000000000000000, 0.0093994600000000 ] - [ 0.0061728500000000, 0.0000000000000000, 0.0097309300000000 ] - [ 0.0060308000000000, 0.0000000000000000, 0.0097040000000000 ] - [ -0.0074362600000000, 0.0018926400000000, -0.0081592700000000 ] - [ -0.0074362600000000, -0.0018926400000000, -0.0081592700000000 ] - [ -0.0060797400000000, 0.0005508500000000, -0.0096472000000000 ] - [ -0.0060797400000000, -0.0005508500000000, -0.0096472000000000 ] - [ 0.0059753200000000, -0.0009163900000000, 0.0105316400000000 ] - [ 0.0059753200000000, 0.0009163900000000, 0.0105316400000000 ] - [ 0.0062480300000000, 0.0008587500000000, 0.0091031000000000 ] - [ 0.0062480300000000, -0.0008587500000000, 0.0091031000000000 ] - [ 0.0000570400000000, 0.0067455700000000, -0.0186991800000000 ] - [ -0.0010502700000000, 0.0072000700000000, -0.0187324800000000 ] - [ -0.0008024500000000, 0.0070305000000000, -0.0188616700000000 ] - [ -0.0013958600000000, 0.0069451300000000, -0.0185627200000000 ] - [ 0.0060259100000000, 0.0058492200000000, 0.0172852900000000 ] - [ 0.0016827500000000, 0.0069222700000000, 0.0184666500000000 ] - [ 0.0019280100000000, 0.0069072700000000, 0.0184620000000000 ] - [ 0.0018488700000000, 0.0072123300000000, 0.0185690000000000 ] - [ 0.0060259100000000, -0.0058492200000000, 0.0172852900000000 ] - [ 0.0016827500000000, -0.0069222700000000, 0.0184666500000000 ] - [ 0.0019280100000000, -0.0069072700000000, 0.0184620000000000 ] - [ 0.0018488700000000, -0.0072123300000000, 0.0185690000000000 ] - [ 0.0000570400000000, -0.0067455700000000, -0.0186991800000000 ] - [ -0.0010502700000000, -0.0072000700000000, -0.0187324800000000 ] - [ -0.0008024500000000, -0.0070305000000000, -0.0188616700000000 ] - [ -0.0013958600000000, -0.0069451300000000, -0.0185627200000000 ] - [ -0.0468287700000000, 0.0000000000000000, -0.1353476700000000 ] - [ -0.0114949700000000, 0.0000000000000000, -0.0054592200000000 ] - [ -0.0107639500000000, 0.0000000000000000, -0.0043117400000000 ] - [ -0.0114400800000000, 0.0000000000000000, -0.0050728900000000 ] - [ 0.0137417300000000, 0.0000000000000000, 0.0074512900000000 ] - [ 0.0105556300000000, 0.0000000000000000, 0.0057127800000000 ] - [ 0.0114857200000000, 0.0000000000000000, 0.0052954200000000 ] - [ 0.0112087000000000, 0.0000000000000000, 0.0061675100000000 ] - [ 0.0003400300000000, 0.0000000000000000, -0.0163070200000000 ] - [ 0.0006298400000000, 0.0000000000000000, -0.0162944300000000 ] - [ 0.0005424300000000, 0.0000000000000000, -0.0166376200000000 ] - [ 0.0005531200000000, 0.0000000000000000, -0.0163668700000000 ] - [ -0.0002578200000000, 0.0000000000000000, 0.0141738400000000 ] - [ -0.0005860400000000, 0.0000000000000000, 0.0157683800000000 ] - [ -0.0009413600000000, 0.0000000000000000, 0.0150945200000000 ] - [ -0.0007250400000000, 0.0000000000000000, 0.0155712700000000 ] - [ -0.0067646200000000, -0.0008577200000000, -0.0076787000000000 ] - [ -0.0016915200000000, 0.0073724000000000, -0.0190081400000000 ] - [ -0.0011048500000000, 0.0082818000000000, -0.0172568400000000 ] - [ -0.0017431100000000, 0.0070668900000000, -0.0184773000000000 ] - [ 0.0002644800000000, 0.0074817700000000, 0.0172730300000000 ] - [ 0.0013487500000000, 0.0074166700000000, 0.0183561200000000 ] - [ 0.0009901200000000, 0.0070723600000000, 0.0188933600000000 ] - [ 0.0012343900000000, 0.0069813600000000, 0.0185384300000000 ] - [ 0.0002644800000000, -0.0074817700000000, 0.0172730300000000 ] - [ 0.0013487500000000, -0.0074166700000000, 0.0183561200000000 ] - [ 0.0009901200000000, -0.0070723600000000, 0.0188933600000000 ] - [ 0.0012343900000000, -0.0069813600000000, 0.0185384300000000 ] - [ -0.0067646200000000, 0.0008577200000000, -0.0076787000000000 ] - [ -0.0016915200000000, -0.0073724000000000, -0.0190081400000000 ] - [ -0.0011048500000000, -0.0082818000000000, -0.0172568400000000 ] - [ -0.0017431100000000, -0.0070668900000000, -0.0184773000000000 ] - [ -0.0109949600000000, -0.0000293300000000, -0.0058652800000000 ] - [ -0.0109949600000000, 0.0000293300000000, -0.0058652800000000 ] - [ -0.0111293400000000, 0.0000176900000000, -0.0060243700000000 ] - [ -0.0111293400000000, -0.0000176900000000, -0.0060243700000000 ] - [ 0.0115879200000000, -0.0000919500000000, 0.0050687900000000 ] - [ 0.0115879200000000, 0.0000919500000000, 0.0050687900000000 ] - [ 0.0111664000000000, 0.0001612500000000, 0.0046091000000000 ] - [ 0.0111664000000000, -0.0001612500000000, 0.0046091000000000 ] - [ -0.0000469700000000, -0.0013526500000000, -0.0171814600000000 ] - [ -0.0000469700000000, 0.0013526500000000, -0.0171814600000000 ] - [ 0.0006569300000000, 0.0000788200000000, -0.0148690300000000 ] - [ 0.0006569300000000, -0.0000788200000000, -0.0148690300000000 ] - [ 0.0009107200000000, 0.0045805800000000, 0.0182037500000000 ] - [ 0.0009107200000000, -0.0045805800000000, 0.0182037500000000 ] - [ -0.0007268100000000, 0.0000672800000000, 0.0164494200000000 ] - [ -0.0007268100000000, -0.0000672800000000, 0.0164494200000000 ]- atom: 49 displacement: [ -0.0000802568418282, 0.0000000000000000, -0.0099996779367808 ] forces: - [ 0.0033602600000000, -0.0300002000000000, -0.0021675600000000 ] - [ 0.0006055000000000, -0.0304685200000000, -0.0004196500000000 ] - [ 0.0014101800000000, -0.0302238900000000, -0.0023296100000000 ] - [ 0.0005256900000000, -0.0306200100000000, -0.0013580200000000 ] - [ 0.0033602600000000, 0.0300002000000000, -0.0021675600000000 ] - [ 0.0006055000000000, 0.0304685200000000, -0.0004196500000000 ] - [ 0.0014101800000000, 0.0302238900000000, -0.0023296100000000 ] - [ 0.0005256900000000, 0.0306200100000000, -0.0013580200000000 ] - [ -0.0287913500000000, -0.0070380200000000, -0.0396441600000000 ] - [ -0.0017723900000000, -0.0304759500000000, 0.0008743800000000 ] - [ -0.0012454100000000, -0.0305966300000000, 0.0021530000000000 ] - [ -0.0008256700000000, -0.0302062900000000, 0.0011775500000000 ] - [ -0.0287913500000000, 0.0070380200000000, -0.0396441600000000 ] - [ -0.0017723900000000, 0.0304759500000000, 0.0008743800000000 ] - [ -0.0012454100000000, 0.0305966300000000, 0.0021530000000000 ] - [ -0.0008256700000000, 0.0302062900000000, 0.0011775500000000 ] - [ 0.0133967700000000, 0.0000000000000000, -0.0351216500000000 ] - [ -0.0066756200000000, 0.0000000000000000, -0.0104282800000000 ] - [ -0.0058173100000000, 0.0000000000000000, -0.0099759000000000 ] - [ -0.0062463600000000, 0.0000000000000000, -0.0097253200000000 ] - [ 0.0060047800000000, 0.0000000000000000, 0.0098077100000000 ] - [ 0.0068846200000000, 0.0000000000000000, 0.0098003300000000 ] - [ 0.0063561800000000, 0.0000000000000000, 0.0094616100000000 ] - [ 0.0065496400000000, 0.0000000000000000, 0.0095174600000000 ] - [ -0.0051538800000000, -0.0018810600000000, -0.0110208500000000 ] - [ -0.0051538800000000, 0.0018810600000000, -0.0110208500000000 ] - [ -0.0064912200000000, -0.0005410300000000, -0.0095439900000000 ] - [ -0.0064912200000000, 0.0005410300000000, -0.0095439900000000 ] - [ 0.0066121100000000, 0.0009144900000000, 0.0086790500000000 ] - [ 0.0066121100000000, -0.0009144900000000, 0.0086790500000000 ] - [ 0.0063113600000000, -0.0008640600000000, 0.0101113000000000 ] - [ 0.0063113600000000, 0.0008640600000000, 0.0101113000000000 ] - [ -0.0031071900000000, 0.0073076200000000, -0.0184507600000000 ] - [ -0.0020163100000000, 0.0068729900000000, -0.0184476600000000 ] - [ -0.0022605200000000, 0.0070178400000000, -0.0182902000000000 ] - [ -0.0016698400000000, 0.0071048700000000, -0.0186046300000000 ] - [ -0.0030316400000000, 0.0082747600000000, 0.0198640500000000 ] - [ 0.0013842200000000, 0.0071332600000000, 0.0186681900000000 ] - [ 0.0011318300000000, 0.0071380600000000, 0.0186878800000000 ] - [ 0.0012215500000000, 0.0068385400000000, 0.0185824500000000 ] - [ -0.0030316400000000, -0.0082747600000000, 0.0198640500000000 ] - [ 0.0013842200000000, -0.0071332600000000, 0.0186681900000000 ] - [ 0.0011318300000000, -0.0071380600000000, 0.0186878800000000 ] - [ 0.0012215500000000, -0.0068385400000000, 0.0185824500000000 ] - [ -0.0031071900000000, -0.0073076200000000, -0.0184507600000000 ] - [ -0.0020163100000000, -0.0068729900000000, -0.0184476600000000 ] - [ -0.0022605200000000, -0.0070178400000000, -0.0182902000000000 ] - [ -0.0016698400000000, -0.0071048700000000, -0.0186046300000000 ] - [ 0.0251230500000000, 0.0000000000000000, 0.1261025600000000 ] - [ -0.0110392300000000, 0.0000000000000000, -0.0055681300000000 ] - [ -0.0117555700000000, 0.0000000000000000, -0.0067539100000000 ] - [ -0.0111595700000000, 0.0000000000000000, -0.0060228900000000 ] - [ 0.0087377900000000, 0.0000000000000000, 0.0035383700000000 ] - [ 0.0119688800000000, 0.0000000000000000, 0.0052805000000000 ] - [ 0.0110671800000000, 0.0000000000000000, 0.0057104900000000 ] - [ 0.0113760000000000, 0.0000000000000000, 0.0049107500000000 ] - [ 0.0009545000000000, 0.0000000000000000, -0.0153262400000000 ] - [ 0.0006261500000000, 0.0000000000000000, -0.0153496400000000 ] - [ 0.0007327100000000, 0.0000000000000000, -0.0149714800000000 ] - [ 0.0007028900000000, 0.0000000000000000, -0.0152648100000000 ] - [ -0.0010013000000000, 0.0000000000000000, 0.0174977600000000 ] - [ -0.0006407200000000, 0.0000000000000000, 0.0158829300000000 ] - [ -0.0003165800000000, 0.0000000000000000, 0.0165329300000000 ] - [ -0.0005172400000000, 0.0000000000000000, 0.0160845500000000 ] - [ 0.0038601800000000, 0.0150226000000000, -0.0296325100000000 ] - [ -0.0013439300000000, 0.0066895900000000, -0.0181516700000000 ] - [ -0.0019330500000000, 0.0057887900000000, -0.0198947900000000 ] - [ -0.0013161900000000, 0.0069803700000000, -0.0186558100000000 ] - [ 0.0027959700000000, 0.0065952000000000, 0.0198664000000000 ] - [ 0.0016754700000000, 0.0066176200000000, 0.0188245300000000 ] - [ 0.0020374700000000, 0.0069890800000000, 0.0182395600000000 ] - [ 0.0018188500000000, 0.0070716200000000, 0.0186086200000000 ] - [ 0.0027959700000000, -0.0065952000000000, 0.0198664000000000 ] - [ 0.0016754700000000, -0.0066176200000000, 0.0188245300000000 ] - [ 0.0020374700000000, -0.0069890800000000, 0.0182395600000000 ] - [ 0.0018188500000000, -0.0070716200000000, 0.0186086200000000 ] - [ 0.0038601800000000, -0.0150226000000000, -0.0296325100000000 ] - [ -0.0013439300000000, -0.0066895900000000, -0.0181516700000000 ] - [ -0.0019330500000000, -0.0057887900000000, -0.0198947900000000 ] - [ -0.0013161900000000, -0.0069803700000000, -0.0186558100000000 ] - [ -0.0115815100000000, 0.0000134800000000, -0.0051807700000000 ] - [ -0.0115815100000000, -0.0000134800000000, -0.0051807700000000 ] - [ -0.0114222200000000, -0.0000137400000000, -0.0050037500000000 ] - [ -0.0114222200000000, 0.0000137400000000, -0.0050037500000000 ] - [ 0.0109847300000000, 0.0001055100000000, 0.0060079000000000 ] - [ 0.0109847300000000, -0.0001055100000000, 0.0060079000000000 ] - [ 0.0113837600000000, -0.0001543900000000, 0.0064380100000000 ] - [ 0.0113837600000000, 0.0001543900000000, 0.0064380100000000 ] - [ 0.0012954100000000, 0.0014428300000000, -0.0145166400000000 ] - [ 0.0012954100000000, -0.0014428300000000, -0.0145166400000000 ] - [ 0.0006191900000000, -0.0000867200000000, -0.0167890400000000 ] - [ 0.0006191900000000, 0.0000867200000000, -0.0167890400000000 ] - [ -0.0021853400000000, -0.0046084100000000, 0.0133308500000000 ] - [ -0.0021853400000000, 0.0046084100000000, 0.0133308500000000 ] - [ -0.0005418800000000, -0.0000810600000000, 0.0151784800000000 ] - [ -0.0005418800000000, 0.0000810600000000, 0.0151784800000000 ]- atom: 57 displacement: [ 0.0099886079741412, 0.0000000000000000, 0.0004771904639897 ] forces: - [ 0.0115212100000000, -0.0295150000000000, 0.0046494900000000 ] - [ 0.0011984800000000, -0.0313430600000000, 0.0010783300000000 ] - [ 0.0006459100000000, -0.0298462000000000, -0.0006174500000000 ] - [ -0.0001243400000000, -0.0301764400000000, 0.0005478300000000 ] - [ 0.0115212100000000, 0.0295150000000000, 0.0046494900000000 ] - [ 0.0011984800000000, 0.0313430600000000, 0.0010783300000000 ] - [ 0.0006459100000000, 0.0298462000000000, -0.0006174500000000 ] - [ -0.0001243400000000, 0.0301764400000000, 0.0005478300000000 ] - [ 0.0012341800000000, -0.0313255300000000, -0.0012320000000000 ] - [ -0.0001593700000000, -0.0302212600000000, 0.0001645900000000 ] - [ -0.0003861100000000, -0.0302482400000000, 0.0008863900000000 ] - [ -0.0003004600000000, -0.0303474000000000, 0.0001479900000000 ] - [ 0.0012341800000000, 0.0313255300000000, -0.0012320000000000 ] - [ -0.0001593700000000, 0.0302212600000000, 0.0001645900000000 ] - [ -0.0003861100000000, 0.0302482400000000, 0.0008863900000000 ] - [ -0.0003004600000000, 0.0303474000000000, 0.0001479900000000 ] - [ -0.0052261800000000, 0.0000000000000000, -0.0085533700000000 ] - [ -0.0061047700000000, 0.0000000000000000, -0.0092494200000000 ] - [ -0.0056801900000000, 0.0000000000000000, -0.0096288200000000 ] - [ -0.0061654200000000, 0.0000000000000000, -0.0098311700000000 ] - [ 0.0419081500000000, 0.0000000000000000, -0.0134921500000000 ] - [ 0.0060051100000000, 0.0000000000000000, 0.0094570700000000 ] - [ 0.0056506600000000, 0.0000000000000000, 0.0093911000000000 ] - [ 0.0061710200000000, 0.0000000000000000, 0.0095841400000000 ] - [ -0.0065150300000000, 0.0001699500000000, -0.0100964900000000 ] - [ -0.0065150300000000, -0.0001699500000000, -0.0100964900000000 ] - [ -0.0066964300000000, 0.0002145600000000, -0.0096684000000000 ] - [ -0.0066964300000000, -0.0002145600000000, -0.0096684000000000 ] - [ 0.0062396500000000, -0.0014622100000000, 0.0066855900000000 ] - [ 0.0062396500000000, 0.0014622100000000, 0.0066855900000000 ] - [ 0.0065502300000000, 0.0002943000000000, 0.0095800400000000 ] - [ 0.0065502300000000, -0.0002943000000000, 0.0095800400000000 ] - [ 0.0018523700000000, 0.0051421500000000, -0.0227926500000000 ] - [ -0.0017429400000000, 0.0069986900000000, -0.0185033900000000 ] - [ -0.0011982700000000, 0.0064673700000000, -0.0181620400000000 ] - [ -0.0015085100000000, 0.0070581500000000, -0.0187725100000000 ] - [ 0.0070554200000000, 0.0124519400000000, 0.0201372700000000 ] - [ 0.0018408300000000, 0.0072023000000000, 0.0184710600000000 ] - [ 0.0011108800000000, 0.0071058900000000, 0.0186161300000000 ] - [ 0.0016668400000000, 0.0069362900000000, 0.0185008600000000 ] - [ 0.0070554200000000, -0.0124519400000000, 0.0201372700000000 ] - [ 0.0018408300000000, -0.0072023000000000, 0.0184710600000000 ] - [ 0.0011108800000000, -0.0071058900000000, 0.0186161300000000 ] - [ 0.0016668400000000, -0.0069362900000000, 0.0185008600000000 ] - [ 0.0018523700000000, -0.0051421500000000, -0.0227926500000000 ] - [ -0.0017429400000000, -0.0069986900000000, -0.0185033900000000 ] - [ -0.0011982700000000, -0.0064673700000000, -0.0181620400000000 ] - [ -0.0015085100000000, -0.0070581500000000, -0.0187725100000000 ] - [ -0.0112467500000000, 0.0000000000000000, -0.0058228800000000 ] - [ -0.0111303600000000, 0.0000000000000000, -0.0055173100000000 ] - [ -0.0111634800000000, 0.0000000000000000, -0.0056416600000000 ] - [ -0.0111528900000000, 0.0000000000000000, -0.0056124900000000 ] - [ 0.0185731700000000, 0.0000000000000000, 0.0057211000000000 ] - [ 0.0110497900000000, 0.0000000000000000, 0.0055238900000000 ] - [ 0.0110521800000000, 0.0000000000000000, 0.0051593600000000 ] - [ 0.0113286800000000, 0.0000000000000000, 0.0053953900000000 ] - [ -0.0917864900000000, 0.0000000000000000, 0.0049584700000000 ] - [ 0.0006957600000000, 0.0000000000000000, -0.0163316800000000 ] - [ 0.0012928100000000, 0.0000000000000000, -0.0150720500000000 ] - [ 0.0007922700000000, 0.0000000000000000, -0.0158139700000000 ] - [ 0.0027066100000000, 0.0000000000000000, 0.0241359300000000 ] - [ -0.0011340100000000, 0.0000000000000000, 0.0155235000000000 ] - [ -0.0004271200000000, 0.0000000000000000, 0.0155657800000000 ] - [ -0.0006554000000000, 0.0000000000000000, 0.0158523300000000 ] - [ -0.0014422900000000, 0.0068579000000000, -0.0185481400000000 ] - [ -0.0014929500000000, 0.0071869800000000, -0.0184538100000000 ] - [ -0.0014266900000000, 0.0070739400000000, -0.0186168900000000 ] - [ -0.0014636000000000, 0.0069868800000000, -0.0185612900000000 ] - [ 0.0034726600000000, 0.0050351900000000, 0.0148686300000000 ] - [ 0.0016037600000000, 0.0069754300000000, 0.0188900600000000 ] - [ 0.0017902900000000, 0.0071094800000000, 0.0183236000000000 ] - [ 0.0016484000000000, 0.0070917400000000, 0.0187424900000000 ] - [ 0.0034726600000000, -0.0050351900000000, 0.0148686300000000 ] - [ 0.0016037600000000, -0.0069754300000000, 0.0188900600000000 ] - [ 0.0017902900000000, -0.0071094800000000, 0.0183236000000000 ] - [ 0.0016484000000000, -0.0070917400000000, 0.0187424900000000 ] - [ -0.0014422900000000, -0.0068579000000000, -0.0185481400000000 ] - [ -0.0014929500000000, -0.0071869800000000, -0.0184538100000000 ] - [ -0.0014266900000000, -0.0070739400000000, -0.0186168900000000 ] - [ -0.0014636000000000, -0.0069868800000000, -0.0185612900000000 ] - [ -0.0141800300000000, -0.0017857800000000, -0.0062417800000000 ] - [ -0.0141800300000000, 0.0017857800000000, -0.0062417800000000 ] - [ -0.0113112200000000, -0.0001359500000000, -0.0054998300000000 ] - [ -0.0113112200000000, 0.0001359500000000, -0.0054998300000000 ] - [ 0.0118980000000000, 0.0022572000000000, 0.0072250100000000 ] - [ 0.0118980000000000, -0.0022572000000000, 0.0072250100000000 ] - [ 0.0111596800000000, 0.0000084700000000, 0.0055047000000000 ] - [ 0.0111596800000000, -0.0000084700000000, 0.0055047000000000 ] - [ 0.0002327600000000, 0.0005422700000000, -0.0154765700000000 ] - [ 0.0002327600000000, -0.0005422700000000, -0.0154765700000000 ] - [ 0.0005027900000000, 0.0000306800000000, -0.0160002100000000 ] - [ 0.0005027900000000, -0.0000306800000000, -0.0160002100000000 ] - [ -0.0004889600000000, 0.0000735800000000, 0.0156575300000000 ] - [ -0.0004889600000000, -0.0000735800000000, 0.0156575300000000 ] - [ -0.0004637300000000, -0.0000756800000000, 0.0157153200000000 ] - [ -0.0004637300000000, 0.0000756800000000, 0.0157153200000000 ]- atom: 57 displacement: [ -0.0099886079741412, 0.0000000000000000, -0.0004771904639897 ] forces: - [ -0.0115915500000000, -0.0310760700000000, -0.0049837800000000 ] - [ -0.0011978300000000, -0.0291536300000000, -0.0009915300000000 ] - [ -0.0006270900000000, -0.0306762100000000, 0.0005863200000000 ] - [ 0.0001148000000000, -0.0303673300000000, -0.0005320300000000 ] - [ -0.0115915500000000, 0.0310760700000000, -0.0049837800000000 ] - [ -0.0011978300000000, 0.0291536300000000, -0.0009915300000000 ] - [ -0.0006270900000000, 0.0306762100000000, 0.0005863200000000 ] - [ 0.0001148000000000, 0.0303673300000000, -0.0005320300000000 ] - [ -0.0012438800000000, -0.0291759500000000, 0.0012519700000000 ] - [ 0.0001915600000000, -0.0302662400000000, -0.0002087300000000 ] - [ 0.0003741200000000, -0.0301914100000000, -0.0008730000000000 ] - [ 0.0003064100000000, -0.0301983700000000, -0.0001647900000000 ] - [ -0.0012438800000000, 0.0291759500000000, 0.0012519700000000 ] - [ 0.0001915600000000, 0.0302662400000000, -0.0002087300000000 ] - [ 0.0003741200000000, 0.0301914100000000, -0.0008730000000000 ] - [ 0.0003064100000000, 0.0301983700000000, -0.0001647900000000 ] - [ -0.0073930100000000, 0.0000000000000000, -0.0106065400000000 ] - [ -0.0064469000000000, 0.0000000000000000, -0.0099417100000000 ] - [ -0.0068592700000000, 0.0000000000000000, -0.0095227000000000 ] - [ -0.0064016100000000, 0.0000000000000000, -0.0093788800000000 ] - [ -0.0273199800000000, 0.0000000000000000, 0.0311451200000000 ] - [ 0.0065518100000000, 0.0000000000000000, 0.0097392700000000 ] - [ 0.0068663700000000, 0.0000000000000000, 0.0097696500000000 ] - [ 0.0063957100000000, 0.0000000000000000, 0.0096258000000000 ] - [ -0.0060656500000000, -0.0001681200000000, -0.0091089700000000 ] - [ -0.0060656500000000, 0.0001681200000000, -0.0091089700000000 ] - [ -0.0058664200000000, -0.0002352900000000, -0.0095448900000000 ] - [ -0.0058664200000000, 0.0002352900000000, -0.0095448900000000 ] - [ 0.0063004300000000, 0.0015122700000000, 0.0126113400000000 ] - [ 0.0063004300000000, -0.0015122700000000, 0.0126113400000000 ] - [ 0.0060080300000000, -0.0002961500000000, 0.0096393000000000 ] - [ 0.0060080300000000, 0.0002961500000000, 0.0096393000000000 ] - [ -0.0049538500000000, 0.0088488800000000, -0.0143949300000000 ] - [ -0.0013009500000000, 0.0070552700000000, -0.0186479500000000 ] - [ -0.0019008700000000, 0.0075706500000000, -0.0189508300000000 ] - [ -0.0015655900000000, 0.0070064700000000, -0.0183880500000000 ] - [ -0.0041229800000000, 0.0014830400000000, 0.0169646300000000 ] - [ 0.0012254600000000, 0.0068481800000000, 0.0186426900000000 ] - [ 0.0019726600000000, 0.0069434300000000, 0.0185019000000000 ] - [ 0.0014117400000000, 0.0071209400000000, 0.0186530800000000 ] - [ -0.0041229800000000, -0.0014830400000000, 0.0169646300000000 ] - [ 0.0012254600000000, -0.0068481800000000, 0.0186426900000000 ] - [ 0.0019726600000000, -0.0069434300000000, 0.0185019000000000 ] - [ 0.0014117400000000, -0.0071209400000000, 0.0186530800000000 ] - [ -0.0049538500000000, -0.0088488800000000, -0.0143949300000000 ] - [ -0.0013009500000000, -0.0070552700000000, -0.0186479500000000 ] - [ -0.0019008700000000, -0.0075706500000000, -0.0189508300000000 ] - [ -0.0015655900000000, -0.0070064700000000, -0.0183880500000000 ] - [ -0.0112846900000000, 0.0000000000000000, -0.0052164100000000 ] - [ -0.0113991100000000, 0.0000000000000000, -0.0055095500000000 ] - [ -0.0112237900000000, 0.0000000000000000, -0.0052482500000000 ] - [ -0.0114490400000000, 0.0000000000000000, -0.0055025300000000 ] - [ 0.0038977100000000, 0.0000000000000000, 0.0053090900000000 ] - [ 0.0114882500000000, 0.0000000000000000, 0.0055064300000000 ] - [ 0.0113408800000000, 0.0000000000000000, 0.0057268300000000 ] - [ 0.0112777000000000, 0.0000000000000000, 0.0057225300000000 ] - [ 0.0911628500000000, 0.0000000000000000, -0.0346138800000000 ] - [ 0.0005515000000000, 0.0000000000000000, -0.0153386000000000 ] - [ -0.0000599900000000, 0.0000000000000000, -0.0165755700000000 ] - [ 0.0004612000000000, 0.0000000000000000, -0.0158527000000000 ] - [ -0.0039129800000000, 0.0000000000000000, 0.0074770800000000 ] - [ -0.0001167800000000, 0.0000000000000000, 0.0161189300000000 ] - [ -0.0007888000000000, 0.0000000000000000, 0.0161265000000000 ] - [ -0.0006048000000000, 0.0000000000000000, 0.0158030300000000 ] - [ -0.0015962000000000, 0.0071995200000000, -0.0186172500000000 ] - [ -0.0015763600000000, 0.0068488600000000, -0.0187067000000000 ] - [ -0.0015378000000000, 0.0069949800000000, -0.0185885100000000 ] - [ -0.0016160300000000, 0.0070562900000000, -0.0185604200000000 ] - [ -0.0002262100000000, 0.0091276900000000, 0.0223052600000000 ] - [ 0.0014156100000000, 0.0070875100000000, 0.0182793200000000 ] - [ 0.0011809100000000, 0.0069634600000000, 0.0188659600000000 ] - [ 0.0014273400000000, 0.0069529700000000, 0.0183891500000000 ] - [ -0.0002262100000000, -0.0091276900000000, 0.0223052600000000 ] - [ 0.0014156100000000, -0.0070875100000000, 0.0182793200000000 ] - [ 0.0011809100000000, -0.0069634600000000, 0.0188659600000000 ] - [ 0.0014273400000000, -0.0069529700000000, 0.0183891500000000 ] - [ -0.0015962000000000, -0.0071995200000000, -0.0186172500000000 ] - [ -0.0015763600000000, -0.0068488600000000, -0.0187067000000000 ] - [ -0.0015378000000000, -0.0069949800000000, -0.0185885100000000 ] - [ -0.0016160300000000, -0.0070562900000000, -0.0185604200000000 ] - [ -0.0084612100000000, 0.0018155300000000, -0.0048495500000000 ] - [ -0.0084612100000000, -0.0018155300000000, -0.0048495500000000 ] - [ -0.0113033000000000, 0.0001604700000000, -0.0056026100000000 ] - [ -0.0113033000000000, -0.0001604700000000, -0.0056026100000000 ] - [ 0.0107625200000000, -0.0021997100000000, 0.0039398100000000 ] - [ 0.0107625200000000, 0.0021997100000000, 0.0039398100000000 ] - [ 0.0114628400000000, 0.0000079300000000, 0.0055996800000000 ] - [ 0.0114628400000000, -0.0000079300000000, 0.0055996800000000 ] - [ 0.0010449700000000, -0.0005484000000000, -0.0161797500000000 ] - [ 0.0010449700000000, 0.0005484000000000, -0.0161797500000000 ] - [ 0.0007774200000000, -0.0001193200000000, -0.0156231900000000 ] - [ 0.0007774200000000, 0.0001193200000000, -0.0156231900000000 ] - [ -0.0007746100000000, -0.0000709200000000, 0.0159926200000000 ] - [ -0.0007746100000000, 0.0000709200000000, 0.0159926200000000 ] - [ -0.0008150700000000, -0.0000146100000000, 0.0159129700000000 ] - [ -0.0008150700000000, 0.0000146100000000, 0.0159129700000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0011773000000000, -0.0091749100000000, 0.0061757000000000 ] - [ -0.0004035000000000, -0.0308657200000000, -0.0015829500000000 ] - [ -0.0005656800000000, -0.0303762800000000, 0.0007787800000000 ] - [ -0.0003345200000000, -0.0302613400000000, 0.0008450800000000 ] - [ 0.0008966500000000, 0.0523001100000000, -0.0067180600000000 ] - [ 0.0004247700000000, 0.0296430400000000, 0.0015527100000000 ] - [ 0.0005514900000000, 0.0301348700000000, -0.0007492600000000 ] - [ 0.0003436800000000, 0.0302530500000000, -0.0008558500000000 ] - [ -0.0012726100000000, -0.0295408700000000, 0.0004271300000000 ] - [ 0.0006747300000000, -0.0304396500000000, 0.0002802600000000 ] - [ -0.0004156900000000, -0.0302861000000000, 0.0002704500000000 ] - [ -0.0003437100000000, -0.0301745100000000, 0.0002031400000000 ] - [ 0.0012201400000000, 0.0309687900000000, -0.0004115100000000 ] - [ -0.0006772500000000, 0.0300708200000000, -0.0002714600000000 ] - [ 0.0004161500000000, 0.0302184400000000, -0.0002794900000000 ] - [ 0.0003440600000000, 0.0303290900000000, -0.0001926100000000 ] - [ -0.0062595100000000, -0.0003405000000000, -0.0095984100000000 ] - [ -0.0062776100000000, -0.0003541900000000, -0.0096028100000000 ] - [ -0.0062708200000000, 0.0004396300000000, -0.0095967200000000 ] - [ -0.0062749000000000, -0.0000675700000000, -0.0095982700000000 ] - [ 0.0062156300000000, 0.0104442000000000, 0.0095843500000000 ] - [ 0.0062840200000000, -0.0004719600000000, 0.0095959200000000 ] - [ 0.0062738200000000, -0.0005323200000000, 0.0095986000000000 ] - [ 0.0062760700000000, -0.0002399300000000, 0.0095964900000000 ] - [ -0.0064082100000000, -0.0008767400000000, -0.0092798500000000 ] - [ -0.0061374500000000, -0.0009149000000000, -0.0099368600000000 ] - [ -0.0061219100000000, 0.0003116400000000, -0.0098237800000000 ] - [ -0.0064326000000000, 0.0003053400000000, -0.0093838000000000 ] - [ 0.0056548800000000, 0.0005029900000000, 0.0096545800000000 ] - [ 0.0069163000000000, 0.0005015800000000, 0.0095547200000000 ] - [ 0.0061999900000000, -0.0002116900000000, 0.0096789900000000 ] - [ 0.0063547100000000, -0.0002187100000000, 0.0095316500000000 ] - [ -0.0041828900000000, 0.0108927900000000, -0.0111943900000000 ] - [ -0.0014828400000000, 0.0073036500000000, -0.0181992500000000 ] - [ -0.0012703700000000, 0.0072217100000000, -0.0187767000000000 ] - [ -0.0012827200000000, 0.0071209400000000, -0.0187962500000000 ] - [ 0.0050680500000000, 0.0080160800000000, 0.0183703800000000 ] - [ 0.0009462200000000, 0.0072245100000000, 0.0190273100000000 ] - [ 0.0018862200000000, 0.0069867500000000, 0.0183323100000000 ] - [ 0.0016355900000000, 0.0070442500000000, 0.0183575600000000 ] - [ -0.0020311800000000, -0.0060399500000000, 0.0187588600000000 ] - [ 0.0020784100000000, -0.0068359300000000, 0.0181300200000000 ] - [ 0.0011816300000000, -0.0070679000000000, 0.0188166800000000 ] - [ 0.0014248100000000, -0.0070092800000000, 0.0187981900000000 ] - [ 0.0011112500000000, -0.0031309000000000, -0.0260759300000000 ] - [ -0.0015710300000000, -0.0067496000000000, -0.0189404200000000 ] - [ -0.0017921900000000, -0.0068406800000000, -0.0183872700000000 ] - [ -0.0017775800000000, -0.0069313700000000, -0.0183528700000000 ] - [ -0.0112831100000000, -0.0002039300000000, -0.0055278000000000 ] - [ -0.0112921900000000, 0.0000380700000000, -0.0055361700000000 ] - [ -0.0112623500000000, -0.0001550500000000, -0.0055126000000000 ] - [ -0.0112693600000000, -0.0001067300000000, -0.0055140300000000 ] - [ 0.0112494200000000, -0.0017100400000000, 0.0055177000000000 ] - [ 0.0112872800000000, 0.0000254100000000, 0.0055332100000000 ] - [ 0.0112653000000000, -0.0000016400000000, 0.0055138500000000 ] - [ 0.0112668500000000, 0.0001164600000000, 0.0055109000000000 ] - [ 0.0010564900000000, -0.0859544700000000, -0.0151374800000000 ] - [ 0.0006218400000000, 0.0003575800000000, -0.0158171800000000 ] - [ 0.0006210100000000, -0.0000082600000000, -0.0158286300000000 ] - [ 0.0006235500000000, -0.0001869100000000, -0.0158278100000000 ] - [ -0.0006099300000000, -0.0021207900000000, 0.0158345600000000 ] - [ -0.0006350000000000, 0.0002787100000000, 0.0158248400000000 ] - [ -0.0006244600000000, 0.0003626400000000, 0.0158204800000000 ] - [ -0.0006225700000000, 0.0000947000000000, 0.0158332000000000 ] - [ -0.0012647700000000, 0.0067879500000000, -0.0186530500000000 ] - [ -0.0016653400000000, 0.0068746200000000, -0.0189544400000000 ] - [ -0.0012552500000000, 0.0070445700000000, -0.0186069100000000 ] - [ -0.0014197300000000, 0.0070391000000000, -0.0185981000000000 ] - [ 0.0068869700000000, 0.0086963000000000, 0.0177925800000000 ] - [ 0.0016619500000000, 0.0073640800000000, 0.0184039800000000 ] - [ 0.0018043000000000, 0.0071045900000000, 0.0184307300000000 ] - [ 0.0016764200000000, 0.0069301500000000, 0.0186141000000000 ] - [ -0.0037237700000000, -0.0054237500000000, 0.0194367000000000 ] - [ 0.0013934300000000, -0.0066875200000000, 0.0187521400000000 ] - [ 0.0012225800000000, -0.0069505600000000, 0.0187304400000000 ] - [ 0.0013538200000000, -0.0071257500000000, 0.0185452900000000 ] - [ -0.0017899900000000, -0.0072749300000000, -0.0184955900000000 ] - [ -0.0014005300000000, -0.0071807300000000, -0.0181944800000000 ] - [ -0.0017777000000000, -0.0070126900000000, -0.0185470300000000 ] - [ -0.0016114100000000, -0.0070157100000000, -0.0185648200000000 ] - [ -0.0110307900000000, 0.0079868900000000, -0.0041473600000000 ] - [ -0.0115618500000000, 0.0081934000000000, -0.0069577900000000 ] - [ -0.0111656900000000, 0.0003178200000000, -0.0056208600000000 ] - [ -0.0114210000000000, 0.0003250700000000, -0.0054492600000000 ] - [ 0.0151035700000000, 0.0033174500000000, 0.0100631700000000 ] - [ 0.0073894800000000, 0.0033516500000000, 0.0009535000000000 ] - [ 0.0114786500000000, -0.0001509800000000, 0.0056101700000000 ] - [ 0.0111069300000000, -0.0001514500000000, 0.0054608500000000 ] - [ 0.0000716900000000, 0.0002901800000000, -0.0155326400000000 ] - [ 0.0011968800000000, 0.0003015700000000, -0.0161314800000000 ] - [ 0.0006009400000000, -0.0000382700000000, -0.0158512800000000 ] - [ 0.0006642300000000, -0.0000359500000000, -0.0157866600000000 ] - [ -0.0005464100000000, -0.0000332600000000, 0.0155755400000000 ] - [ -0.0007197000000000, -0.0000319500000000, 0.0160835400000000 ] - [ -0.0007021100000000, 0.0000408900000000, 0.0157486800000000 ] - [ -0.0005637600000000, 0.0000407100000000, 0.0158881800000000 ]- atom: 57 displacement: [ 0.0000802568418282, 0.0000000000000000, 0.0099996779367808 ] forces: - [ 0.0049874400000000, -0.0241037000000000, 0.0106451600000000 ] - [ 0.0013904300000000, -0.0305527500000000, 0.0007579400000000 ] - [ 0.0022584300000000, -0.0299384100000000, -0.0038372500000000 ] - [ 0.0001269600000000, -0.0303438500000000, 0.0000791700000000 ] - [ 0.0049874400000000, 0.0241037000000000, 0.0106451600000000 ] - [ 0.0013904300000000, 0.0305527500000000, 0.0007579400000000 ] - [ 0.0022584300000000, 0.0299384100000000, -0.0038372500000000 ] - [ 0.0001269600000000, 0.0303438500000000, 0.0000791700000000 ] - [ -0.0024577600000000, -0.0298583300000000, 0.0030068200000000 ] - [ -0.0002911600000000, -0.0296173400000000, 0.0003326100000000 ] - [ -0.0012526300000000, -0.0302179200000000, 0.0024069300000000 ] - [ -0.0007419100000000, -0.0302895000000000, 0.0007075100000000 ] - [ -0.0024577600000000, 0.0298583300000000, 0.0030068200000000 ] - [ -0.0002911600000000, 0.0296173400000000, 0.0003326100000000 ] - [ -0.0012526300000000, 0.0302179200000000, 0.0024069300000000 ] - [ -0.0007419100000000, 0.0302895000000000, 0.0007075100000000 ] - [ -0.0046981500000000, 0.0000000000000000, -0.0095339400000000 ] - [ -0.0060546500000000, 0.0000000000000000, -0.0098082000000000 ] - [ -0.0064266300000000, 0.0000000000000000, -0.0094445700000000 ] - [ -0.0062570500000000, 0.0000000000000000, -0.0098178700000000 ] - [ -0.0233484800000000, 0.0000000000000000, 0.0419023600000000 ] - [ 0.0073420200000000, 0.0000000000000000, 0.0094892300000000 ] - [ 0.0058710900000000, 0.0000000000000000, 0.0094883400000000 ] - [ 0.0061982200000000, 0.0000000000000000, 0.0094953300000000 ] - [ -0.0056286100000000, -0.0001686600000000, -0.0081542100000000 ] - [ -0.0056286100000000, 0.0001686600000000, -0.0081542100000000 ] - [ -0.0067250300000000, 0.0003372500000000, -0.0097061100000000 ] - [ -0.0067250300000000, -0.0003372500000000, -0.0097061100000000 ] - [ 0.0061021300000000, 0.0026103900000000, 0.0124169600000000 ] - [ 0.0061021300000000, -0.0026103900000000, 0.0124169600000000 ] - [ 0.0062553200000000, 0.0006348200000000, 0.0097750000000000 ] - [ 0.0062553200000000, -0.0006348200000000, 0.0097750000000000 ] - [ -0.0082877500000000, 0.0148137700000000, -0.0083838200000000 ] - [ -0.0020006300000000, 0.0073477100000000, -0.0192425600000000 ] - [ -0.0015833000000000, 0.0060311500000000, -0.0177413500000000 ] - [ -0.0016015200000000, 0.0072931600000000, -0.0187150300000000 ] - [ -0.0012018900000000, 0.0052061500000000, 0.0173399000000000 ] - [ 0.0011715100000000, 0.0066973300000000, 0.0178410900000000 ] - [ 0.0009630800000000, 0.0071420000000000, 0.0190599400000000 ] - [ 0.0017143900000000, 0.0069028100000000, 0.0184357300000000 ] - [ -0.0012018900000000, -0.0052061500000000, 0.0173399000000000 ] - [ 0.0011715100000000, -0.0066973300000000, 0.0178410900000000 ] - [ 0.0009630800000000, -0.0071420000000000, 0.0190599400000000 ] - [ 0.0017143900000000, -0.0069028100000000, 0.0184357300000000 ] - [ -0.0082877500000000, -0.0148137700000000, -0.0083838200000000 ] - [ -0.0020006300000000, -0.0073477100000000, -0.0192425600000000 ] - [ -0.0015833000000000, -0.0060311500000000, -0.0177413500000000 ] - [ -0.0016015200000000, -0.0072931600000000, -0.0187150300000000 ] - [ -0.0115475600000000, 0.0000000000000000, -0.0059769400000000 ] - [ -0.0110192600000000, 0.0000000000000000, -0.0059232500000000 ] - [ -0.0112730300000000, 0.0000000000000000, -0.0063094700000000 ] - [ -0.0110014500000000, 0.0000000000000000, -0.0060552800000000 ] - [ 0.0096056000000000, 0.0000000000000000, 0.0038083800000000 ] - [ 0.0113561700000000, 0.0000000000000000, 0.0053948600000000 ] - [ 0.0110139900000000, 0.0000000000000000, 0.0047259500000000 ] - [ 0.0116028900000000, 0.0000000000000000, 0.0052418900000000 ] - [ 0.0236702300000000, 0.0000000000000000, -0.1068571900000000 ] - [ 0.0001514600000000, 0.0000000000000000, -0.0165921700000000 ] - [ 0.0012957200000000, 0.0000000000000000, -0.0143209700000000 ] - [ 0.0006400600000000, 0.0000000000000000, -0.0158381000000000 ] - [ 0.0072327000000000, 0.0000000000000000, 0.0260086700000000 ] - [ -0.0009375100000000, 0.0000000000000000, 0.0163554700000000 ] - [ -0.0009345700000000, 0.0000000000000000, 0.0172818900000000 ] - [ -0.0006079800000000, 0.0000000000000000, 0.0160794800000000 ] - [ -0.0007377600000000, 0.0070545600000000, -0.0191637400000000 ] - [ -0.0016505400000000, 0.0065235100000000, -0.0186828300000000 ] - [ -0.0010395300000000, 0.0069467500000000, -0.0188514800000000 ] - [ -0.0014232300000000, 0.0069964600000000, -0.0184553900000000 ] - [ 0.0059585300000000, 0.0081991300000000, 0.0173497000000000 ] - [ 0.0014410800000000, 0.0069501500000000, 0.0188077000000000 ] - [ 0.0019856300000000, 0.0071280100000000, 0.0183554400000000 ] - [ 0.0018325100000000, 0.0069588200000000, 0.0188622600000000 ] - [ 0.0059585300000000, -0.0081991300000000, 0.0173497000000000 ] - [ 0.0014410800000000, -0.0069501500000000, 0.0188077000000000 ] - [ 0.0019856300000000, -0.0071280100000000, 0.0183554400000000 ] - [ 0.0018325100000000, -0.0069588200000000, 0.0188622600000000 ] - [ -0.0007377600000000, -0.0070545600000000, -0.0191637400000000 ] - [ -0.0016505400000000, -0.0065235100000000, -0.0186828300000000 ] - [ -0.0010395300000000, -0.0069467500000000, -0.0188514800000000 ] - [ -0.0014232300000000, -0.0069964600000000, -0.0184553900000000 ] - [ -0.0123599300000000, -0.0005433200000000, -0.0069041500000000 ] - [ -0.0123599300000000, 0.0005433200000000, -0.0069041500000000 ] - [ -0.0115977000000000, -0.0000194500000000, -0.0046302600000000 ] - [ -0.0115977000000000, 0.0000194500000000, -0.0046302600000000 ] - [ 0.0121414200000000, 0.0025766400000000, 0.0080064700000000 ] - [ 0.0121414200000000, -0.0025766400000000, 0.0080064700000000 ] - [ 0.0112968100000000, -0.0000697300000000, 0.0062476900000000 ] - [ 0.0112968100000000, 0.0000697300000000, 0.0062476900000000 ] - [ 0.0010379600000000, -0.0002935100000000, -0.0166700600000000 ] - [ 0.0010379600000000, 0.0002935100000000, -0.0166700600000000 ] - [ 0.0004998600000000, 0.0000152800000000, -0.0163362800000000 ] - [ 0.0004998600000000, -0.0000152800000000, -0.0163362800000000 ] - [ -0.0007935300000000, -0.0002501400000000, 0.0154446900000000 ] - [ -0.0007935300000000, 0.0002501400000000, 0.0154446900000000 ] - [ -0.0007260100000000, -0.0000901500000000, 0.0151988400000000 ] - [ -0.0007260100000000, 0.0000901500000000, 0.0151988400000000 ]- atom: 57 displacement: [ -0.0000802568418282, 0.0000000000000000, -0.0099996779367808 ] forces: - [ -0.0052488800000000, -0.0366390400000000, -0.0107704500000000 ] - [ -0.0013451700000000, -0.0299392300000000, -0.0006978100000000 ] - [ -0.0021527600000000, -0.0305863700000000, 0.0036679000000000 ] - [ -0.0001267000000000, -0.0302013600000000, -0.0000918300000000 ] - [ -0.0052488800000000, 0.0366390400000000, -0.0107704500000000 ] - [ -0.0013451700000000, 0.0299392300000000, -0.0006978100000000 ] - [ -0.0021527600000000, 0.0305863700000000, 0.0036679000000000 ] - [ -0.0001267000000000, 0.0302013600000000, -0.0000918300000000 ] - [ 0.0024030900000000, -0.0306551900000000, -0.0028960000000000 ] - [ 0.0002943500000000, -0.0308762800000000, -0.0003466200000000 ] - [ 0.0011804000000000, -0.0302813900000000, -0.0022870400000000 ] - [ 0.0007321200000000, -0.0302193700000000, -0.0007027500000000 ] - [ 0.0024030900000000, 0.0306551900000000, -0.0028960000000000 ] - [ 0.0002943500000000, 0.0308762800000000, -0.0003466200000000 ] - [ 0.0011804000000000, 0.0302813900000000, -0.0022870400000000 ] - [ 0.0007321200000000, 0.0302193700000000, -0.0007027500000000 ] - [ -0.0079247800000000, 0.0000000000000000, -0.0095709400000000 ] - [ -0.0065029200000000, 0.0000000000000000, -0.0093804500000000 ] - [ -0.0061526300000000, 0.0000000000000000, -0.0097180200000000 ] - [ -0.0062929600000000, 0.0000000000000000, -0.0093758400000000 ] - [ 0.0370155200000000, 0.0000000000000000, -0.0230619700000000 ] - [ 0.0051901400000000, 0.0000000000000000, 0.0097064000000000 ] - [ 0.0066724500000000, 0.0000000000000000, 0.0096762300000000 ] - [ 0.0063619900000000, 0.0000000000000000, 0.0096977700000000 ] - [ -0.0069083800000000, 0.0001362900000000, -0.0110487000000000 ] - [ -0.0069083800000000, -0.0001362900000000, -0.0110487000000000 ] - [ -0.0058427900000000, -0.0003394700000000, -0.0094913200000000 ] - [ -0.0058427900000000, 0.0003394700000000, -0.0094913200000000 ] - [ 0.0064345600000000, -0.0025658100000000, 0.0068252300000000 ] - [ 0.0064345600000000, 0.0025658100000000, 0.0068252300000000 ] - [ 0.0063038900000000, -0.0005937700000000, 0.0094561100000000 ] - [ 0.0063038900000000, 0.0005937700000000, 0.0094561100000000 ] - [ 0.0053084200000000, -0.0009388100000000, -0.0289131300000000 ] - [ -0.0010371500000000, 0.0067120900000000, -0.0179179200000000 ] - [ -0.0015771200000000, 0.0079841100000000, -0.0193549800000000 ] - [ -0.0014948900000000, 0.0067708500000000, -0.0184180900000000 ] - [ 0.0042541800000000, 0.0088521600000000, 0.0197690900000000 ] - [ 0.0018889000000000, 0.0073481500000000, 0.0192941900000000 ] - [ 0.0021076000000000, 0.0069165500000000, 0.0180750300000000 ] - [ 0.0013544900000000, 0.0071500200000000, 0.0186939700000000 ] - [ 0.0042541800000000, -0.0088521600000000, 0.0197690900000000 ] - [ 0.0018889000000000, -0.0073481500000000, 0.0192941900000000 ] - [ 0.0021076000000000, -0.0069165500000000, 0.0180750300000000 ] - [ 0.0013544900000000, -0.0071500200000000, 0.0186939700000000 ] - [ 0.0053084200000000, 0.0009388100000000, -0.0289131300000000 ] - [ -0.0010371500000000, -0.0067120900000000, -0.0179179200000000 ] - [ -0.0015771200000000, -0.0079841100000000, -0.0193549800000000 ] - [ -0.0014948900000000, -0.0067708500000000, -0.0184180900000000 ] - [ -0.0109419400000000, 0.0000000000000000, -0.0050573400000000 ] - [ -0.0114831500000000, 0.0000000000000000, -0.0050645500000000 ] - [ -0.0112067900000000, 0.0000000000000000, -0.0047054900000000 ] - [ -0.0115293300000000, 0.0000000000000000, -0.0049819600000000 ] - [ 0.0128632900000000, 0.0000000000000000, 0.0071578400000000 ] - [ 0.0111615700000000, 0.0000000000000000, 0.0055979300000000 ] - [ 0.0114457800000000, 0.0000000000000000, 0.0062257300000000 ] - [ 0.0109226600000000, 0.0000000000000000, 0.0057942600000000 ] - [ -0.0231501300000000, 0.0000000000000000, 0.0761335400000000 ] - [ 0.0010901800000000, 0.0000000000000000, -0.0150478300000000 ] - [ -0.0000406500000000, 0.0000000000000000, -0.0172800200000000 ] - [ 0.0006049200000000, 0.0000000000000000, -0.0158398900000000 ] - [ -0.0085697300000000, 0.0000000000000000, 0.0055459800000000 ] - [ -0.0003007800000000, 0.0000000000000000, 0.0152663400000000 ] - [ -0.0002750200000000, 0.0000000000000000, 0.0144126300000000 ] - [ -0.0006403900000000, 0.0000000000000000, 0.0156057100000000 ] - [ -0.0022867300000000, 0.0070018400000000, -0.0180305000000000 ] - [ -0.0013850500000000, 0.0075325500000000, -0.0184984200000000 ] - [ -0.0019594100000000, 0.0070964300000000, -0.0183414700000000 ] - [ -0.0016073400000000, 0.0070491600000000, -0.0187039200000000 ] - [ -0.0029024900000000, 0.0058681500000000, 0.0198059400000000 ] - [ 0.0015724600000000, 0.0071155200000000, 0.0183730900000000 ] - [ 0.0010831000000000, 0.0069360900000000, 0.0187846400000000 ] - [ 0.0012120500000000, 0.0070819400000000, 0.0182931400000000 ] - [ -0.0029024900000000, -0.0058681500000000, 0.0198059400000000 ] - [ 0.0015724600000000, -0.0071155200000000, 0.0183730900000000 ] - [ 0.0010831000000000, -0.0069360900000000, 0.0187846400000000 ] - [ 0.0012120500000000, -0.0070819400000000, 0.0182931400000000 ] - [ -0.0022867300000000, -0.0070018400000000, -0.0180305000000000 ] - [ -0.0013850500000000, -0.0075325500000000, -0.0184984200000000 ] - [ -0.0019594100000000, -0.0070964300000000, -0.0183414700000000 ] - [ -0.0016073400000000, -0.0070491600000000, -0.0187039200000000 ] - [ -0.0102234500000000, 0.0005280100000000, -0.0042131400000000 ] - [ -0.0102234500000000, -0.0005280100000000, -0.0042131400000000 ] - [ -0.0110294300000000, 0.0000345500000000, -0.0064702800000000 ] - [ -0.0110294300000000, -0.0000345500000000, -0.0064702800000000 ] - [ 0.0104947800000000, -0.0025524700000000, 0.0030955700000000 ] - [ 0.0104947800000000, 0.0025524700000000, 0.0030955700000000 ] - [ 0.0113400500000000, 0.0000884800000000, 0.0048964700000000 ] - [ 0.0113400500000000, -0.0000884800000000, 0.0048964700000000 ] - [ 0.0002524600000000, 0.0002868300000000, -0.0149615600000000 ] - [ 0.0002524600000000, -0.0002868300000000, -0.0149615600000000 ] - [ 0.0007996300000000, -0.0000375600000000, -0.0153000800000000 ] - [ 0.0007996300000000, 0.0000375600000000, -0.0153000800000000 ] - [ -0.0004886200000000, 0.0002464900000000, 0.0161531100000000 ] - [ -0.0004886200000000, -0.0002464900000000, 0.0161531100000000 ] - [ -0.0005587900000000, 0.0000616700000000, 0.0164045200000000 ] - [ -0.0005587900000000, -0.0000616700000000, 0.0164045200000000 ]