# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/923c218d-5a05-490a-98ad-d69ca3c1f7c6/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 Rb2AgI3 / Pnma (62) / materials id 23399](https://mdr.nims.go.jp/datasets/a585051a-b4f2-4ba2-b1d9-1e28a24d5085) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Pnma" number: 62 Hall_symbol: "-P 2ac 2n"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 10.170138990000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 4.835046130000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 19.790977680000001 ] # c points: - symbol: Rb # 1 coordinates: [ 0.920689420000000, 0.750000000000000, 0.789190700000000 ] mass: 85.467800 - symbol: Rb # 2 coordinates: [ 0.079310580000000, 0.250000000000000, 0.210809300000000 ] mass: 85.467800 - symbol: Rb # 3 coordinates: [ 0.420689420000000, 0.750000000000000, 0.710809300000000 ] mass: 85.467800 - symbol: Rb # 4 coordinates: [ 0.579310580000000, 0.250000000000000, 0.289190700000000 ] mass: 85.467800 - symbol: Rb # 5 coordinates: [ 0.242986920000000, 0.750000000000000, 0.457889070000000 ] mass: 85.467800 - symbol: Rb # 6 coordinates: [ 0.757013080000000, 0.250000000000000, 0.542110930000000 ] mass: 85.467800 - symbol: Rb # 7 coordinates: [ 0.742986920000000, 0.750000000000000, 0.042110930000000 ] mass: 85.467800 - symbol: Rb # 8 coordinates: [ 0.257013080000000, 0.250000000000000, 0.957889070000000 ] mass: 85.467800 - symbol: Ag # 9 coordinates: [ 0.359733270000000, 0.750000000000000, 0.136453670000000 ] mass: 107.868200 - symbol: Ag # 10 coordinates: [ 0.640266730000000, 0.250000000000000, 0.863546330000000 ] mass: 107.868200 - symbol: Ag # 11 coordinates: [ 0.859733270000000, 0.750000000000000, 0.363546330000000 ] mass: 107.868200 - symbol: Ag # 12 coordinates: [ 0.140266730000000, 0.250000000000000, 0.636453670000000 ] mass: 107.868200 - symbol: I # 13 coordinates: [ 0.312561470000000, 0.750000000000000, 0.276466820000000 ] mass: 126.904470 - symbol: I # 14 coordinates: [ 0.687438530000000, 0.250000000000000, 0.723533180000000 ] mass: 126.904470 - symbol: I # 15 coordinates: [ 0.812561470000000, 0.750000000000000, 0.223533180000000 ] mass: 126.904470 - symbol: I # 16 coordinates: [ 0.187438530000000, 0.250000000000000, 0.776466820000000 ] mass: 126.904470 - symbol: I # 17 coordinates: [ 0.116805100000000, 0.750000000000000, 0.070059980000000 ] mass: 126.904470 - symbol: I # 18 coordinates: [ 0.883194900000000, 0.250000000000000, 0.929940020000000 ] mass: 126.904470 - symbol: I # 19 coordinates: [ 0.616805100000000, 0.750000000000000, 0.429940020000000 ] mass: 126.904470 - symbol: I # 20 coordinates: [ 0.383194900000000, 0.250000000000000, 0.570059980000000 ] mass: 126.904470 - symbol: I # 21 coordinates: [ 0.007541300000000, 0.750000000000000, 0.603082060000000 ] mass: 126.904470 - symbol: I # 22 coordinates: [ 0.992458700000000, 0.250000000000000, 0.396917940000000 ] mass: 126.904470 - symbol: I # 23 coordinates: [ 0.507541300000000, 0.750000000000000, 0.896917940000000 ] mass: 126.904470 - symbol: I # 24 coordinates: [ 0.492458700000000, 0.250000000000000, 0.103082060000000 ] mass: 126.904470 reciprocal_lattice: # without 2pi - [ 0.098327073109155, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.206823259409109, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.050528074770685 ] # c*unit_cell: lattice: - [ 10.170138990000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 4.835046130000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 19.790977680000001 ] # c points: - symbol: Rb # 1 coordinates: [ 0.920689420000000, 0.750000000000000, 0.789190700000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 2 coordinates: [ 0.079310580000000, 0.250000000000000, 0.210809300000000 ] mass: 85.467800 reduced_to: 2 - symbol: Rb # 3 coordinates: [ 0.420689420000000, 0.750000000000000, 0.710809300000000 ] mass: 85.467800 reduced_to: 3 - symbol: Rb # 4 coordinates: [ 0.579310580000000, 0.250000000000000, 0.289190700000000 ] mass: 85.467800 reduced_to: 4 - symbol: Rb # 5 coordinates: [ 0.242986920000000, 0.750000000000000, 0.457889070000000 ] mass: 85.467800 reduced_to: 5 - symbol: Rb # 6 coordinates: [ 0.757013080000000, 0.250000000000000, 0.542110930000000 ] mass: 85.467800 reduced_to: 6 - symbol: Rb # 7 coordinates: [ 0.742986920000000, 0.750000000000000, 0.042110930000000 ] mass: 85.467800 reduced_to: 7 - symbol: Rb # 8 coordinates: [ 0.257013080000000, 0.250000000000000, 0.957889070000000 ] mass: 85.467800 reduced_to: 8 - symbol: Ag # 9 coordinates: [ 0.359733270000000, 0.750000000000000, 0.136453670000000 ] mass: 107.868200 reduced_to: 9 - symbol: Ag # 10 coordinates: [ 0.640266730000000, 0.250000000000000, 0.863546330000000 ] mass: 107.868200 reduced_to: 10 - symbol: Ag # 11 coordinates: [ 0.859733270000000, 0.750000000000000, 0.363546330000000 ] mass: 107.868200 reduced_to: 11 - symbol: Ag # 12 coordinates: [ 0.140266730000000, 0.250000000000000, 0.636453670000000 ] mass: 107.868200 reduced_to: 12 - symbol: I # 13 coordinates: [ 0.312561470000000, 0.750000000000000, 0.276466820000000 ] mass: 126.904470 reduced_to: 13 - symbol: I # 14 coordinates: [ 0.687438530000000, 0.250000000000000, 0.723533180000000 ] mass: 126.904470 reduced_to: 14 - symbol: I # 15 coordinates: [ 0.812561470000000, 0.750000000000000, 0.223533180000000 ] mass: 126.904470 reduced_to: 15 - symbol: I # 16 coordinates: [ 0.187438530000000, 0.250000000000000, 0.776466820000000 ] mass: 126.904470 reduced_to: 16 - symbol: I # 17 coordinates: [ 0.116805100000000, 0.750000000000000, 0.070059980000000 ] mass: 126.904470 reduced_to: 17 - symbol: I # 18 coordinates: [ 0.883194900000000, 0.250000000000000, 0.929940020000000 ] mass: 126.904470 reduced_to: 18 - symbol: I # 19 coordinates: [ 0.616805100000000, 0.750000000000000, 0.429940020000000 ] mass: 126.904470 reduced_to: 19 - symbol: I # 20 coordinates: [ 0.383194900000000, 0.250000000000000, 0.570059980000000 ] mass: 126.904470 reduced_to: 20 - symbol: I # 21 coordinates: [ 0.007541300000000, 0.750000000000000, 0.603082060000000 ] mass: 126.904470 reduced_to: 21 - symbol: I # 22 coordinates: [ 0.992458700000000, 0.250000000000000, 0.396917940000000 ] mass: 126.904470 reduced_to: 22 - symbol: I # 23 coordinates: [ 0.507541300000000, 0.750000000000000, 0.896917940000000 ] mass: 126.904470 reduced_to: 23 - symbol: I # 24 coordinates: [ 0.492458700000000, 0.250000000000000, 0.103082060000000 ] mass: 126.904470 reduced_to: 24supercell: lattice: - [ 20.340277980000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 14.505138390000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 19.790977680000001 ] # c points: - symbol: Rb # 1 coordinates: [ 0.460344710000000, 0.250000000000000, 0.789190700000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 2 coordinates: [ 0.960344710000000, 0.250000000000000, 0.789190700000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 3 coordinates: [ 0.460344710000000, 0.583333333333333, 0.789190700000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 4 coordinates: [ 0.960344710000000, 0.583333333333333, 0.789190700000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 5 coordinates: [ 0.460344710000000, 0.916666666666667, 0.789190700000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 6 coordinates: [ 0.960344710000000, 0.916666666666667, 0.789190700000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 7 coordinates: [ 0.039655290000000, 0.083333333333333, 0.210809300000000 ] mass: 85.467800 reduced_to: 7 - symbol: Rb # 8 coordinates: [ 0.539655290000000, 0.083333333333333, 0.210809300000000 ] mass: 85.467800 reduced_to: 7 - symbol: Rb # 9 coordinates: [ 0.039655290000000, 0.416666666666667, 0.210809300000000 ] mass: 85.467800 reduced_to: 7 - symbol: Rb # 10 coordinates: [ 0.539655290000000, 0.416666666666667, 0.210809300000000 ] mass: 85.467800 reduced_to: 7 - symbol: Rb # 11 coordinates: [ 0.039655290000000, 0.750000000000000, 0.210809300000000 ] mass: 85.467800 reduced_to: 7 - symbol: Rb # 12 coordinates: [ 0.539655290000000, 0.750000000000000, 0.210809300000000 ] mass: 85.467800 reduced_to: 7 - symbol: Rb # 13 coordinates: [ 0.210344710000000, 0.250000000000000, 0.710809300000000 ] mass: 85.467800 reduced_to: 13 - symbol: Rb # 14 coordinates: [ 0.710344710000000, 0.250000000000000, 0.710809300000000 ] mass: 85.467800 reduced_to: 13 - symbol: Rb # 15 coordinates: [ 0.210344710000000, 0.583333333333333, 0.710809300000000 ] mass: 85.467800 reduced_to: 13 - symbol: Rb # 16 coordinates: [ 0.710344710000000, 0.583333333333333, 0.710809300000000 ] mass: 85.467800 reduced_to: 13 - symbol: Rb # 17 coordinates: [ 0.210344710000000, 0.916666666666667, 0.710809300000000 ] mass: 85.467800 reduced_to: 13 - symbol: Rb # 18 coordinates: [ 0.710344710000000, 0.916666666666667, 0.710809300000000 ] mass: 85.467800 reduced_to: 13 - symbol: Rb # 19 coordinates: [ 0.289655290000000, 0.083333333333333, 0.289190700000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 20 coordinates: [ 0.789655290000000, 0.083333333333333, 0.289190700000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 21 coordinates: [ 0.289655290000000, 0.416666666666667, 0.289190700000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 22 coordinates: [ 0.789655290000000, 0.416666666666667, 0.289190700000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 23 coordinates: [ 0.289655290000000, 0.750000000000000, 0.289190700000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 24 coordinates: [ 0.789655290000000, 0.750000000000000, 0.289190700000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 25 coordinates: [ 0.121493460000000, 0.250000000000000, 0.457889070000000 ] mass: 85.467800 reduced_to: 25 - symbol: Rb # 26 coordinates: [ 0.621493460000000, 0.250000000000000, 0.457889070000000 ] mass: 85.467800 reduced_to: 25 - symbol: Rb # 27 coordinates: [ 0.121493460000000, 0.583333333333333, 0.457889070000000 ] mass: 85.467800 reduced_to: 25 - symbol: Rb # 28 coordinates: [ 0.621493460000000, 0.583333333333333, 0.457889070000000 ] mass: 85.467800 reduced_to: 25 - symbol: Rb # 29 coordinates: [ 0.121493460000000, 0.916666666666667, 0.457889070000000 ] mass: 85.467800 reduced_to: 25 - symbol: Rb # 30 coordinates: [ 0.621493460000000, 0.916666666666667, 0.457889070000000 ] mass: 85.467800 reduced_to: 25 - symbol: Rb # 31 coordinates: [ 0.378506540000000, 0.083333333333333, 0.542110930000000 ] mass: 85.467800 reduced_to: 31 - symbol: Rb # 32 coordinates: [ 0.878506540000000, 0.083333333333333, 0.542110930000000 ] mass: 85.467800 reduced_to: 31 - symbol: Rb # 33 coordinates: [ 0.378506540000000, 0.416666666666667, 0.542110930000000 ] mass: 85.467800 reduced_to: 31 - symbol: Rb # 34 coordinates: [ 0.878506540000000, 0.416666666666667, 0.542110930000000 ] mass: 85.467800 reduced_to: 31 - symbol: Rb # 35 coordinates: [ 0.378506540000000, 0.750000000000000, 0.542110930000000 ] mass: 85.467800 reduced_to: 31 - symbol: Rb # 36 coordinates: [ 0.878506540000000, 0.750000000000000, 0.542110930000000 ] mass: 85.467800 reduced_to: 31 - symbol: Rb # 37 coordinates: [ 0.371493460000000, 0.250000000000000, 0.042110930000000 ] mass: 85.467800 reduced_to: 37 - symbol: Rb # 38 coordinates: [ 0.871493460000000, 0.250000000000000, 0.042110930000000 ] mass: 85.467800 reduced_to: 37 - symbol: Rb # 39 coordinates: [ 0.371493460000000, 0.583333333333333, 0.042110930000000 ] mass: 85.467800 reduced_to: 37 - symbol: Rb # 40 coordinates: [ 0.871493460000000, 0.583333333333333, 0.042110930000000 ] mass: 85.467800 reduced_to: 37 - symbol: Rb # 41 coordinates: [ 0.371493460000000, 0.916666666666667, 0.042110930000000 ] mass: 85.467800 reduced_to: 37 - symbol: Rb # 42 coordinates: [ 0.871493460000000, 0.916666666666667, 0.042110930000000 ] mass: 85.467800 reduced_to: 37 - symbol: Rb # 43 coordinates: [ 0.128506540000000, 0.083333333333333, 0.957889070000000 ] mass: 85.467800 reduced_to: 43 - symbol: Rb # 44 coordinates: [ 0.628506540000000, 0.083333333333333, 0.957889070000000 ] mass: 85.467800 reduced_to: 43 - symbol: Rb # 45 coordinates: [ 0.128506540000000, 0.416666666666667, 0.957889070000000 ] mass: 85.467800 reduced_to: 43 - symbol: Rb # 46 coordinates: [ 0.628506540000000, 0.416666666666667, 0.957889070000000 ] mass: 85.467800 reduced_to: 43 - symbol: Rb # 47 coordinates: [ 0.128506540000000, 0.750000000000000, 0.957889070000000 ] mass: 85.467800 reduced_to: 43 - symbol: Rb # 48 coordinates: [ 0.628506540000000, 0.750000000000000, 0.957889070000000 ] mass: 85.467800 reduced_to: 43 - symbol: Ag # 49 coordinates: [ 0.179866635000000, 0.250000000000000, 0.136453670000000 ] mass: 107.868200 reduced_to: 49 - symbol: Ag # 50 coordinates: [ 0.679866635000000, 0.250000000000000, 0.136453670000000 ] mass: 107.868200 reduced_to: 49 - symbol: Ag # 51 coordinates: [ 0.179866635000000, 0.583333333333333, 0.136453670000000 ] mass: 107.868200 reduced_to: 49 - symbol: Ag # 52 coordinates: [ 0.679866635000000, 0.583333333333333, 0.136453670000000 ] mass: 107.868200 reduced_to: 49 - symbol: Ag # 53 coordinates: [ 0.179866635000000, 0.916666666666667, 0.136453670000000 ] mass: 107.868200 reduced_to: 49 - symbol: Ag # 54 coordinates: [ 0.679866635000000, 0.916666666666667, 0.136453670000000 ] mass: 107.868200 reduced_to: 49 - symbol: Ag # 55 coordinates: [ 0.320133365000000, 0.083333333333333, 0.863546330000000 ] mass: 107.868200 reduced_to: 55 - symbol: Ag # 56 coordinates: [ 0.820133365000000, 0.083333333333333, 0.863546330000000 ] mass: 107.868200 reduced_to: 55 - symbol: Ag # 57 coordinates: [ 0.320133365000000, 0.416666666666667, 0.863546330000000 ] mass: 107.868200 reduced_to: 55 - symbol: Ag # 58 coordinates: [ 0.820133365000000, 0.416666666666667, 0.863546330000000 ] mass: 107.868200 reduced_to: 55 - symbol: Ag # 59 coordinates: [ 0.320133365000000, 0.750000000000000, 0.863546330000000 ] mass: 107.868200 reduced_to: 55 - symbol: Ag # 60 coordinates: [ 0.820133365000000, 0.750000000000000, 0.863546330000000 ] mass: 107.868200 reduced_to: 55 - symbol: Ag # 61 coordinates: [ 0.429866635000000, 0.250000000000000, 0.363546330000000 ] mass: 107.868200 reduced_to: 61 - symbol: Ag # 62 coordinates: [ 0.929866635000000, 0.250000000000000, 0.363546330000000 ] mass: 107.868200 reduced_to: 61 - symbol: Ag # 63 coordinates: [ 0.429866635000000, 0.583333333333333, 0.363546330000000 ] mass: 107.868200 reduced_to: 61 - symbol: Ag # 64 coordinates: [ 0.929866635000000, 0.583333333333333, 0.363546330000000 ] mass: 107.868200 reduced_to: 61 - symbol: Ag # 65 coordinates: [ 0.429866635000000, 0.916666666666667, 0.363546330000000 ] mass: 107.868200 reduced_to: 61 - symbol: Ag # 66 coordinates: [ 0.929866635000000, 0.916666666666667, 0.363546330000000 ] mass: 107.868200 reduced_to: 61 - symbol: Ag # 67 coordinates: [ 0.070133365000000, 0.083333333333333, 0.636453670000000 ] mass: 107.868200 reduced_to: 67 - symbol: Ag # 68 coordinates: [ 0.570133365000000, 0.083333333333333, 0.636453670000000 ] mass: 107.868200 reduced_to: 67 - symbol: Ag # 69 coordinates: [ 0.070133365000000, 0.416666666666667, 0.636453670000000 ] mass: 107.868200 reduced_to: 67 - symbol: Ag # 70 coordinates: [ 0.570133365000000, 0.416666666666667, 0.636453670000000 ] mass: 107.868200 reduced_to: 67 - symbol: Ag # 71 coordinates: [ 0.070133365000000, 0.750000000000000, 0.636453670000000 ] mass: 107.868200 reduced_to: 67 - symbol: Ag # 72 coordinates: [ 0.570133365000000, 0.750000000000000, 0.636453670000000 ] mass: 107.868200 reduced_to: 67 - symbol: I # 73 coordinates: [ 0.156280735000000, 0.250000000000000, 0.276466820000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 74 coordinates: [ 0.656280735000000, 0.250000000000000, 0.276466820000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 75 coordinates: [ 0.156280735000000, 0.583333333333333, 0.276466820000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 76 coordinates: [ 0.656280735000000, 0.583333333333333, 0.276466820000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 77 coordinates: [ 0.156280735000000, 0.916666666666667, 0.276466820000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 78 coordinates: [ 0.656280735000000, 0.916666666666667, 0.276466820000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 79 coordinates: [ 0.343719265000000, 0.083333333333333, 0.723533180000000 ] mass: 126.904470 reduced_to: 79 - symbol: I # 80 coordinates: [ 0.843719265000000, 0.083333333333333, 0.723533180000000 ] mass: 126.904470 reduced_to: 79 - symbol: I # 81 coordinates: [ 0.343719265000000, 0.416666666666667, 0.723533180000000 ] mass: 126.904470 reduced_to: 79 - symbol: I # 82 coordinates: [ 0.843719265000000, 0.416666666666667, 0.723533180000000 ] mass: 126.904470 reduced_to: 79 - symbol: I # 83 coordinates: [ 0.343719265000000, 0.750000000000000, 0.723533180000000 ] mass: 126.904470 reduced_to: 79 - symbol: I # 84 coordinates: [ 0.843719265000000, 0.750000000000000, 0.723533180000000 ] mass: 126.904470 reduced_to: 79 - symbol: I # 85 coordinates: [ 0.406280735000000, 0.250000000000000, 0.223533180000000 ] mass: 126.904470 reduced_to: 85 - symbol: I # 86 coordinates: [ 0.906280735000000, 0.250000000000000, 0.223533180000000 ] mass: 126.904470 reduced_to: 85 - symbol: I # 87 coordinates: [ 0.406280735000000, 0.583333333333333, 0.223533180000000 ] mass: 126.904470 reduced_to: 85 - symbol: I # 88 coordinates: [ 0.906280735000000, 0.583333333333333, 0.223533180000000 ] mass: 126.904470 reduced_to: 85 - symbol: I # 89 coordinates: [ 0.406280735000000, 0.916666666666667, 0.223533180000000 ] mass: 126.904470 reduced_to: 85 - symbol: I # 90 coordinates: [ 0.906280735000000, 0.916666666666667, 0.223533180000000 ] mass: 126.904470 reduced_to: 85 - symbol: I # 91 coordinates: [ 0.093719265000000, 0.083333333333333, 0.776466820000000 ] mass: 126.904470 reduced_to: 91 - symbol: I # 92 coordinates: [ 0.593719265000000, 0.083333333333333, 0.776466820000000 ] mass: 126.904470 reduced_to: 91 - symbol: I # 93 coordinates: [ 0.093719265000000, 0.416666666666667, 0.776466820000000 ] mass: 126.904470 reduced_to: 91 - symbol: I # 94 coordinates: [ 0.593719265000000, 0.416666666666667, 0.776466820000000 ] mass: 126.904470 reduced_to: 91 - symbol: I # 95 coordinates: [ 0.093719265000000, 0.750000000000000, 0.776466820000000 ] mass: 126.904470 reduced_to: 91 - symbol: I # 96 coordinates: [ 0.593719265000000, 0.750000000000000, 0.776466820000000 ] mass: 126.904470 reduced_to: 91 - symbol: I # 97 coordinates: [ 0.058402550000000, 0.250000000000000, 0.070059980000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 98 coordinates: [ 0.558402550000000, 0.250000000000000, 0.070059980000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 99 coordinates: [ 0.058402550000000, 0.583333333333333, 0.070059980000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 100 coordinates: [ 0.558402550000000, 0.583333333333333, 0.070059980000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 101 coordinates: [ 0.058402550000000, 0.916666666666667, 0.070059980000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 102 coordinates: [ 0.558402550000000, 0.916666666666667, 0.070059980000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 103 coordinates: [ 0.441597450000000, 0.083333333333333, 0.929940020000000 ] mass: 126.904470 reduced_to: 103 - symbol: I # 104 coordinates: [ 0.941597450000000, 0.083333333333333, 0.929940020000000 ] mass: 126.904470 reduced_to: 103 - symbol: I # 105 coordinates: [ 0.441597450000000, 0.416666666666667, 0.929940020000000 ] mass: 126.904470 reduced_to: 103 - symbol: I # 106 coordinates: [ 0.941597450000000, 0.416666666666667, 0.929940020000000 ] mass: 126.904470 reduced_to: 103 - symbol: I # 107 coordinates: [ 0.441597450000000, 0.750000000000000, 0.929940020000000 ] mass: 126.904470 reduced_to: 103 - symbol: I # 108 coordinates: [ 0.941597450000000, 0.750000000000000, 0.929940020000000 ] mass: 126.904470 reduced_to: 103 - symbol: I # 109 coordinates: [ 0.308402550000000, 0.250000000000000, 0.429940020000000 ] mass: 126.904470 reduced_to: 109 - symbol: I # 110 coordinates: [ 0.808402550000000, 0.250000000000000, 0.429940020000000 ] mass: 126.904470 reduced_to: 109 - symbol: I # 111 coordinates: [ 0.308402550000000, 0.583333333333333, 0.429940020000000 ] mass: 126.904470 reduced_to: 109 - symbol: I # 112 coordinates: [ 0.808402550000000, 0.583333333333333, 0.429940020000000 ] mass: 126.904470 reduced_to: 109 - symbol: I # 113 coordinates: [ 0.308402550000000, 0.916666666666667, 0.429940020000000 ] mass: 126.904470 reduced_to: 109 - symbol: I # 114 coordinates: [ 0.808402550000000, 0.916666666666667, 0.429940020000000 ] mass: 126.904470 reduced_to: 109 - symbol: I # 115 coordinates: [ 0.191597450000000, 0.083333333333333, 0.570059980000000 ] mass: 126.904470 reduced_to: 115 - symbol: I # 116 coordinates: [ 0.691597450000000, 0.083333333333333, 0.570059980000000 ] mass: 126.904470 reduced_to: 115 - symbol: I # 117 coordinates: [ 0.191597450000000, 0.416666666666667, 0.570059980000000 ] mass: 126.904470 reduced_to: 115 - symbol: I # 118 coordinates: [ 0.691597450000000, 0.416666666666667, 0.570059980000000 ] mass: 126.904470 reduced_to: 115 - symbol: I # 119 coordinates: [ 0.191597450000000, 0.750000000000000, 0.570059980000000 ] mass: 126.904470 reduced_to: 115 - symbol: I # 120 coordinates: [ 0.691597450000000, 0.750000000000000, 0.570059980000000 ] mass: 126.904470 reduced_to: 115 - symbol: I # 121 coordinates: [ 0.003770650000000, 0.250000000000000, 0.603082060000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 122 coordinates: [ 0.503770650000000, 0.250000000000000, 0.603082060000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 123 coordinates: [ 0.003770650000000, 0.583333333333333, 0.603082060000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 124 coordinates: [ 0.503770650000000, 0.583333333333333, 0.603082060000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 125 coordinates: [ 0.003770650000000, 0.916666666666667, 0.603082060000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 126 coordinates: [ 0.503770650000000, 0.916666666666667, 0.603082060000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 127 coordinates: [ 0.496229350000000, 0.083333333333333, 0.396917940000000 ] mass: 126.904470 reduced_to: 127 - symbol: I # 128 coordinates: [ 0.996229350000000, 0.083333333333333, 0.396917940000000 ] mass: 126.904470 reduced_to: 127 - symbol: I # 129 coordinates: [ 0.496229350000000, 0.416666666666667, 0.396917940000000 ] mass: 126.904470 reduced_to: 127 - symbol: I # 130 coordinates: [ 0.996229350000000, 0.416666666666667, 0.396917940000000 ] mass: 126.904470 reduced_to: 127 - symbol: I # 131 coordinates: [ 0.496229350000000, 0.750000000000000, 0.396917940000000 ] mass: 126.904470 reduced_to: 127 - symbol: I # 132 coordinates: [ 0.996229350000000, 0.750000000000000, 0.396917940000000 ] mass: 126.904470 reduced_to: 127 - symbol: I # 133 coordinates: [ 0.253770650000000, 0.250000000000000, 0.896917940000000 ] mass: 126.904470 reduced_to: 133 - symbol: I # 134 coordinates: [ 0.753770650000000, 0.250000000000000, 0.896917940000000 ] mass: 126.904470 reduced_to: 133 - symbol: I # 135 coordinates: [ 0.253770650000000, 0.583333333333333, 0.896917940000000 ] mass: 126.904470 reduced_to: 133 - symbol: I # 136 coordinates: [ 0.753770650000000, 0.583333333333333, 0.896917940000000 ] mass: 126.904470 reduced_to: 133 - symbol: I # 137 coordinates: [ 0.253770650000000, 0.916666666666667, 0.896917940000000 ] mass: 126.904470 reduced_to: 133 - symbol: I # 138 coordinates: [ 0.753770650000000, 0.916666666666667, 0.896917940000000 ] mass: 126.904470 reduced_to: 133 - symbol: I # 139 coordinates: [ 0.246229350000000, 0.083333333333333, 0.103082060000000 ] mass: 126.904470 reduced_to: 139 - symbol: I # 140 coordinates: [ 0.746229350000000, 0.083333333333333, 0.103082060000000 ] mass: 126.904470 reduced_to: 139 - symbol: I # 141 coordinates: [ 0.246229350000000, 0.416666666666667, 0.103082060000000 ] mass: 126.904470 reduced_to: 139 - symbol: I # 142 coordinates: [ 0.746229350000000, 0.416666666666667, 0.103082060000000 ] mass: 126.904470 reduced_to: 139 - symbol: I # 143 coordinates: [ 0.246229350000000, 0.750000000000000, 0.103082060000000 ] mass: 126.904470 reduced_to: 139 - symbol: I # 144 coordinates: [ 0.746229350000000, 0.750000000000000, 0.103082060000000 ] mass: 126.904470 reduced_to: 139born_effective_charge:- # 1 (Rb) - [ 1.206134160000000, 0.000000000000000, -0.191217600000000 ] - [ 0.000000000000000, 1.307722600000000, 0.000000000000000 ] - [ -0.252798410000000, 0.000000000000000, 1.064610670000000 ]- # 2 (Rb) - [ 1.206134160000000, 0.000000000000000, -0.191217600000000 ] - [ 0.000000000000000, 1.307722600000000, 0.000000000000000 ] - [ -0.252798410000000, 0.000000000000000, 1.064610670000000 ]- # 3 (Rb) - [ 1.206134160000000, 0.000000000000000, 0.191217600000000 ] - [ 0.000000000000000, 1.307722600000000, 0.000000000000000 ] - [ 0.252798410000000, 0.000000000000000, 1.064610670000000 ]- # 4 (Rb) - [ 1.206134160000000, 0.000000000000000, 0.191217600000000 ] - [ 0.000000000000000, 1.307722600000000, 0.000000000000000 ] - [ 0.252798410000000, 0.000000000000000, 1.064610670000000 ]- # 5 (Rb) - [ 1.344095590000000, 0.000000000000000, 0.083600630000000 ] - [ 0.000000000000000, 1.109179030000000, 0.000000000000000 ] - [ 0.029212790000000, 0.000000000000000, 1.471186370000000 ]- # 6 (Rb) - [ 1.344095590000000, 0.000000000000000, 0.083600630000000 ] - [ 0.000000000000000, 1.109179030000000, 0.000000000000000 ] - [ 0.029212790000000, 0.000000000000000, 1.471186370000000 ]- # 7 (Rb) - [ 1.344095590000000, 0.000000000000000, -0.083600630000000 ] - [ 0.000000000000000, 1.109179030000000, 0.000000000000000 ] - [ -0.029212790000000, 0.000000000000000, 1.471186370000000 ]- # 8 (Rb) - [ 1.344095590000000, 0.000000000000000, -0.083600630000000 ] - [ 0.000000000000000, 1.109179030000000, 0.000000000000000 ] - [ -0.029212790000000, 0.000000000000000, 1.471186370000000 ]- # 9 (Ag) - [ 0.904312760000000, 0.000000000000000, 0.047980540000000 ] - [ 0.000000000000000, 1.328609590000000, 0.000000000000000 ] - [ 0.076506860000000, 0.000000000000000, 0.953191080000000 ]- # 10 (Ag) - [ 0.904312760000000, 0.000000000000000, 0.047980540000000 ] - [ 0.000000000000000, 1.328609590000000, 0.000000000000000 ] - [ 0.076506860000000, 0.000000000000000, 0.953191080000000 ]- # 11 (Ag) - [ 0.904312760000000, 0.000000000000000, -0.047980540000000 ] - [ 0.000000000000000, 1.328609590000000, 0.000000000000000 ] - [ -0.076506860000000, 0.000000000000000, 0.953191080000000 ]- # 12 (Ag) - [ 0.904312760000000, 0.000000000000000, -0.047980540000000 ] - [ 0.000000000000000, 1.328609590000000, 0.000000000000000 ] - [ -0.076506860000000, 0.000000000000000, 0.953191080000000 ]- # 13 (I) - [ -1.053227320000000, 0.000000000000000, 0.001316960000000 ] - [ 0.000000000000000, -0.990624730000000, 0.000000000000000 ] - [ 0.050800510000000, 0.000000000000000, -1.393007710000000 ]- # 14 (I) - [ -1.053227320000000, 0.000000000000000, 0.001316960000000 ] - [ 0.000000000000000, -0.990624730000000, 0.000000000000000 ] - [ 0.050800510000000, 0.000000000000000, -1.393007710000000 ]- # 15 (I) - [ -1.053227320000000, 0.000000000000000, -0.001316960000000 ] - [ 0.000000000000000, -0.990624730000000, 0.000000000000000 ] - [ -0.050800510000000, 0.000000000000000, -1.393007710000000 ]- # 16 (I) - [ -1.053227320000000, 0.000000000000000, -0.001316960000000 ] - [ 0.000000000000000, -0.990624730000000, 0.000000000000000 ] - [ -0.050800510000000, 0.000000000000000, -1.393007710000000 ]- # 17 (I) - [ -1.340953010000000, 0.000000000000000, -0.080272190000000 ] - [ 0.000000000000000, -0.977806820000000, 0.000000000000000 ] - [ -0.110229940000000, 0.000000000000000, -1.166467730000000 ]- # 18 (I) - [ -1.340953010000000, 0.000000000000000, -0.080272190000000 ] - [ 0.000000000000000, -0.977806820000000, 0.000000000000000 ] - [ -0.110229940000000, 0.000000000000000, -1.166467730000000 ]- # 19 (I) - [ -1.340953010000000, 0.000000000000000, 0.080272190000000 ] - [ 0.000000000000000, -0.977806820000000, 0.000000000000000 ] - [ 0.110229940000000, 0.000000000000000, -1.166467730000000 ]- # 20 (I) - [ -1.340953010000000, 0.000000000000000, 0.080272190000000 ] - [ 0.000000000000000, -0.977806820000000, 0.000000000000000 ] - [ 0.110229940000000, 0.000000000000000, -1.166467730000000 ]- # 21 (I) - [ -1.060362170000000, 0.000000000000000, -0.136099580000000 ] - [ 0.000000000000000, -1.777079670000000, 0.000000000000000 ] - [ -0.059313320000000, 0.000000000000000, -0.929512670000000 ]- # 22 (I) - [ -1.060362170000000, 0.000000000000000, -0.136099580000000 ] - [ 0.000000000000000, -1.777079670000000, 0.000000000000000 ] - [ -0.059313320000000, 0.000000000000000, -0.929512670000000 ]- # 23 (I) - [ -1.060362170000000, 0.000000000000000, 0.136099580000000 ] - [ 0.000000000000000, -1.777079670000000, 0.000000000000000 ] - [ 0.059313320000000, 0.000000000000000, -0.929512670000000 ]- # 24 (I) - [ -1.060362170000000, 0.000000000000000, 0.136099580000000 ] - [ 0.000000000000000, -1.777079670000000, 0.000000000000000 ] - [ 0.059313320000000, 0.000000000000000, -0.929512670000000 ]dielectric_constant: - [ 3.611939930000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.935624810000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.635773120000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0154326800000000, 0.0000000000000000, -0.0008068700000000 ] - [ -0.0005948600000000, 0.0000000000000000, 0.0000409400000000 ] - [ -0.0016090800000000, 0.0000035400000000, 0.0001011300000000 ] - [ -0.0006381800000000, -0.0000011000000000, 0.0000425200000000 ] - [ -0.0016090800000000, -0.0000035400000000, 0.0001011300000000 ] - [ -0.0006381800000000, 0.0000011000000000, 0.0000425200000000 ] - [ 0.0008818500000000, 0.0000055600000000, -0.0000897900000000 ] - [ 0.0007757300000000, -0.0000167200000000, -0.0000694300000000 ] - [ 0.0008818500000000, -0.0000055600000000, -0.0000897900000000 ] - [ 0.0007757300000000, 0.0000167200000000, -0.0000694300000000 ] - [ 0.0008757500000000, 0.0000000000000000, -0.0000846200000000 ] - [ 0.0007866700000000, 0.0000000000000000, -0.0000738200000000 ] - [ -0.0000311400000000, 0.0000000000000000, 0.0002464900000000 ] - [ -0.0000249200000000, 0.0000000000000000, -0.0003643800000000 ] - [ -0.0005514500000000, -0.0002106500000000, 0.0000226700000000 ] - [ -0.0005516400000000, 0.0002530500000000, -0.0001568300000000 ] - [ -0.0005514500000000, 0.0002106500000000, 0.0000226700000000 ] - [ -0.0005516400000000, -0.0002530500000000, -0.0001568300000000 ] - [ 0.0007779400000000, 0.0000034100000000, 0.0000302000000000 ] - [ 0.0008555300000000, -0.0000082000000000, 0.0000421300000000 ] - [ 0.0007779400000000, -0.0000034100000000, 0.0000302000000000 ] - [ 0.0008555300000000, 0.0000082000000000, 0.0000421300000000 ] - [ 0.0007836000000000, 0.0000000000000000, 0.0000367600000000 ] - [ 0.0008481800000000, 0.0000000000000000, 0.0000428600000000 ] - [ -0.0034877100000000, 0.0000000000000000, -0.0001589500000000 ] - [ -0.0035397000000000, 0.0000000000000000, -0.0004384600000000 ] - [ -0.0034989000000000, -0.0000236400000000, -0.0001773000000000 ] - [ -0.0035745200000000, 0.0000512700000000, -0.0003576600000000 ] - [ -0.0034989000000000, 0.0000236400000000, -0.0001773000000000 ] - [ -0.0035745200000000, -0.0000512700000000, -0.0003576600000000 ] - [ 0.0032221200000000, -0.0000206100000000, 0.0005701900000000 ] - [ 0.0037178800000000, -0.0000055800000000, 0.0002007400000000 ] - [ 0.0032221200000000, 0.0000206100000000, 0.0005701900000000 ] - [ 0.0037178800000000, 0.0000055800000000, 0.0002007400000000 ] - [ 0.0033623800000000, 0.0000000000000000, 0.0002865200000000 ] - [ 0.0036599000000000, 0.0000000000000000, 0.0002179200000000 ] - [ -0.0036978500000000, 0.0000000000000000, -0.0001512300000000 ] - [ -0.0034342000000000, 0.0000000000000000, 0.0003131900000000 ] - [ -0.0036178200000000, -0.0000503000000000, 0.0000975000000000 ] - [ -0.0034645300000000, 0.0000064600000000, 0.0002875000000000 ] - [ -0.0036178200000000, 0.0000503000000000, 0.0000975000000000 ] - [ -0.0034645300000000, -0.0000064600000000, 0.0002875000000000 ] - [ 0.0038164700000000, 0.0001212500000000, -0.0003695500000000 ] - [ 0.0035845900000000, -0.0002695100000000, 0.0003625100000000 ] - [ 0.0038164700000000, -0.0001212500000000, -0.0003695500000000 ] - [ 0.0035845900000000, 0.0002695100000000, 0.0003625100000000 ] - [ 0.0037121600000000, 0.0000000000000000, -0.0003051700000000 ] - [ 0.0034439300000000, 0.0000000000000000, -0.0001120200000000 ] - [ -0.0162765800000000, 0.0000000000000000, 0.0085832300000000 ] - [ -0.0163352300000000, 0.0000000000000000, 0.0086136300000000 ] - [ -0.0162662300000000, -0.0000216100000000, 0.0085936900000000 ] - [ -0.0163692100000000, 0.0000164400000000, 0.0086045200000000 ] - [ -0.0162662300000000, 0.0000216100000000, 0.0085936900000000 ] - [ -0.0163692100000000, -0.0000164400000000, 0.0086045200000000 ] - [ 0.0166580700000000, 0.0008475000000000, -0.0094118900000000 ] - [ 0.0164696700000000, -0.0000692900000000, -0.0085883200000000 ] - [ 0.0166580700000000, -0.0008475000000000, -0.0094118900000000 ] - [ 0.0164696700000000, 0.0000692900000000, -0.0085883200000000 ] - [ 0.0161182800000000, 0.0000000000000000, -0.0085952700000000 ] - [ 0.0164449000000000, 0.0000000000000000, -0.0086263200000000 ] - [ -0.0164071800000000, 0.0000000000000000, -0.0086471100000000 ] - [ -0.0162391800000000, 0.0000000000000000, -0.0086402400000000 ] - [ -0.0163993500000000, 0.0000126400000000, -0.0086409100000000 ] - [ -0.0162556200000000, -0.0000029300000000, -0.0086343200000000 ] - [ -0.0163993500000000, -0.0000126400000000, -0.0086409100000000 ] - [ -0.0162556200000000, 0.0000029300000000, -0.0086343200000000 ] - [ 0.0164257700000000, 0.0000048400000000, 0.0086674600000000 ] - [ 0.0162477500000000, -0.0001282200000000, 0.0079067300000000 ] - [ 0.0164257700000000, -0.0000048400000000, 0.0086674600000000 ] - [ 0.0162477500000000, 0.0001282200000000, 0.0079067300000000 ] - [ 0.0163637200000000, 0.0000000000000000, 0.0086562500000000 ] - [ 0.0163421900000000, 0.0000000000000000, 0.0085775400000000 ] - [ 0.0002524300000000, 0.0000000000000000, -0.0018458900000000 ] - [ 0.0002800600000000, 0.0000000000000000, -0.0018642600000000 ] - [ 0.0002514200000000, 0.0000066200000000, -0.0018452700000000 ] - [ 0.0002865400000000, -0.0000072500000000, -0.0018568200000000 ] - [ 0.0002514200000000, -0.0000066200000000, -0.0018452700000000 ] - [ 0.0002865400000000, 0.0000072500000000, -0.0018568200000000 ] - [ 0.0024197100000000, 0.0023563200000000, 0.0032738400000000 ] - [ -0.0004896000000000, 0.0000387500000000, 0.0018805700000000 ] - [ 0.0024197100000000, -0.0023563200000000, 0.0032738400000000 ] - [ -0.0004896000000000, -0.0000387500000000, 0.0018805700000000 ] - [ -0.0001132800000000, 0.0000000000000000, 0.0018341200000000 ] - [ -0.0004211400000000, 0.0000000000000000, 0.0018869300000000 ] - [ 0.0003473500000000, 0.0000000000000000, 0.0019358000000000 ] - [ 0.0002140500000000, 0.0000000000000000, 0.0018997600000000 ] - [ 0.0003332500000000, -0.0000009600000000, 0.0019296900000000 ] - [ 0.0002229000000000, -0.0000010500000000, 0.0018939600000000 ] - [ 0.0003332500000000, 0.0000009600000000, 0.0019296900000000 ] - [ 0.0002229000000000, 0.0000010500000000, 0.0018939600000000 ] - [ -0.0004991400000000, -0.0000488700000000, -0.0019282900000000 ] - [ 0.0030976100000000, -0.0025759200000000, -0.0018881700000000 ] - [ -0.0004991400000000, 0.0000488700000000, -0.0019282900000000 ] - [ 0.0030976100000000, 0.0025759200000000, -0.0018881700000000 ] - [ -0.0004136400000000, 0.0000000000000000, -0.0019036100000000 ] - [ -0.0001426400000000, 0.0000000000000000, -0.0019014200000000 ] - [ 0.0023622300000000, 0.0000000000000000, -0.0016058200000000 ] - [ 0.0026245300000000, 0.0000000000000000, -0.0017966400000000 ] - [ 0.0023862200000000, 0.0000139600000000, -0.0016320600000000 ] - [ 0.0026064700000000, -0.0000103700000000, -0.0016716300000000 ] - [ 0.0023862200000000, -0.0000139600000000, -0.0016320600000000 ] - [ 0.0026064700000000, 0.0000103700000000, -0.0016716300000000 ] - [ -0.0017562700000000, 0.0002143600000000, 0.0014758000000000 ] - [ -0.0026800100000000, 0.0000152600000000, 0.0016363100000000 ] - [ -0.0017562700000000, -0.0002143600000000, 0.0014758000000000 ] - [ -0.0026800100000000, -0.0000152600000000, 0.0016363100000000 ] - [ -0.0022807100000000, 0.0000000000000000, 0.0016767600000000 ] - [ -0.0026423200000000, 0.0000000000000000, 0.0016422900000000 ] - [ 0.0025753100000000, 0.0000000000000000, 0.0016283400000000 ] - [ 0.0023675300000000, 0.0000000000000000, 0.0017340100000000 ] - [ 0.0025602000000000, 0.0000150700000000, 0.0016468500000000 ] - [ 0.0023937700000000, -0.0000157600000000, 0.0017171800000000 ] - [ 0.0025602000000000, -0.0000150700000000, 0.0016468500000000 ] - [ 0.0023937700000000, 0.0000157600000000, 0.0017171800000000 ] - [ -0.0026481200000000, -0.0000335200000000, -0.0018260600000000 ] - [ -0.0026262300000000, 0.0000490200000000, -0.0013853000000000 ] - [ -0.0026481200000000, 0.0000335200000000, -0.0018260600000000 ] - [ -0.0026262300000000, -0.0000490200000000, -0.0013853000000000 ] - [ -0.0025273900000000, 0.0000000000000000, -0.0017400400000000 ] - [ -0.0024785300000000, 0.0000000000000000, -0.0016005200000000 ] - [ -0.0154553100000000, 0.0000000000000000, -0.0082627600000000 ] - [ -0.0147018700000000, 0.0000000000000000, -0.0086389300000000 ] - [ -0.0154311100000000, 0.0000240600000000, -0.0082596000000000 ] - [ -0.0150469600000000, -0.0001644300000000, -0.0081028700000000 ] - [ -0.0154311100000000, -0.0000240600000000, -0.0082596000000000 ] - [ -0.0150469600000000, 0.0001644300000000, -0.0081028700000000 ] - [ 0.0154190000000000, 0.0000235900000000, 0.0082898800000000 ] - [ 0.0152415600000000, 0.0000023400000000, 0.0082189400000000 ] - [ 0.0154190000000000, -0.0000235900000000, 0.0082898800000000 ] - [ 0.0152415600000000, -0.0000023400000000, 0.0082189400000000 ] - [ 0.0153918700000000, 0.0000000000000000, 0.0082811300000000 ] - [ 0.0152507800000000, 0.0000000000000000, 0.0082194300000000 ] - [ -0.0157801200000000, 0.0000000000000000, 0.0086767000000000 ] - [ -0.0156007300000000, 0.0000000000000000, 0.0081252600000000 ] - [ -0.0153286100000000, 0.0001994700000000, 0.0083565000000000 ] - [ -0.0154477700000000, -0.0000788100000000, 0.0081657400000000 ] - [ -0.0153286100000000, -0.0001994700000000, 0.0083565000000000 ] - [ -0.0154477700000000, 0.0000788100000000, 0.0081657400000000 ] - [ 0.0152909900000000, -0.0000379400000000, -0.0081336300000000 ] - [ 0.0153138700000000, 0.0000162000000000, -0.0082752400000000 ] - [ 0.0152909900000000, 0.0000379400000000, -0.0081336300000000 ] - [ 0.0153138700000000, -0.0000162000000000, -0.0082752400000000 ] - [ 0.0153023800000000, 0.0000000000000000, -0.0081672700000000 ] - [ 0.0153357000000000, 0.0000000000000000, -0.0082518000000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0137316600000000, 0.0000000000000000, 0.0010333900000000 ] - [ -0.0010513500000000, 0.0000000000000000, 0.0000762900000000 ] - [ -0.0000378300000000, -0.0000061900000000, 0.0000172000000000 ] - [ -0.0010080500000000, 0.0000013300000000, 0.0000748000000000 ] - [ -0.0000378300000000, 0.0000061900000000, 0.0000172000000000 ] - [ -0.0010080500000000, -0.0000013300000000, 0.0000748000000000 ] - [ 0.0007644200000000, -0.0000056400000000, -0.0000274800000000 ] - [ 0.0008704100000000, 0.0000166600000000, -0.0000481100000000 ] - [ 0.0007644200000000, 0.0000056400000000, -0.0000274800000000 ] - [ 0.0008704100000000, -0.0000166600000000, -0.0000481100000000 ] - [ 0.0007705200000000, 0.0000000000000000, -0.0000327000000000 ] - [ 0.0008595300000000, 0.0000000000000000, -0.0000437100000000 ] - [ -0.0016209600000000, 0.0000000000000000, -0.0003669100000000 ] - [ -0.0016147200000000, 0.0000000000000000, 0.0002440400000000 ] - [ -0.0010942800000000, 0.0002105200000000, -0.0001404200000000 ] - [ -0.0010944400000000, -0.0002528800000000, 0.0000397400000000 ] - [ -0.0010942800000000, -0.0002105200000000, -0.0001404200000000 ] - [ -0.0010944400000000, 0.0002528800000000, 0.0000397400000000 ] - [ 0.0008684100000000, -0.0000034300000000, 0.0000871900000000 ] - [ 0.0007906400000000, 0.0000081700000000, 0.0000752200000000 ] - [ 0.0008684100000000, 0.0000034300000000, 0.0000871900000000 ] - [ 0.0007906400000000, -0.0000081700000000, 0.0000752200000000 ] - [ 0.0008627100000000, 0.0000000000000000, 0.0000805700000000 ] - [ 0.0007979800000000, 0.0000000000000000, 0.0000744500000000 ] - [ -0.0036002000000000, 0.0000000000000000, -0.0003087100000000 ] - [ -0.0035486900000000, 0.0000000000000000, -0.0000292400000000 ] - [ -0.0035889900000000, 0.0000236500000000, -0.0002903100000000 ] - [ -0.0035135100000000, -0.0000512100000000, -0.0001102100000000 ] - [ -0.0035889900000000, -0.0000236500000000, -0.0002903100000000 ] - [ -0.0035135100000000, 0.0000512100000000, -0.0001102100000000 ] - [ 0.0038658500000000, 0.0000204600000000, -0.0001023800000000 ] - [ 0.0033701900000000, 0.0000055200000000, 0.0002668300000000 ] - [ 0.0038658500000000, -0.0000204600000000, -0.0001023800000000 ] - [ 0.0033701900000000, -0.0000055200000000, 0.0002668300000000 ] - [ 0.0037253200000000, 0.0000000000000000, 0.0001812300000000 ] - [ 0.0034280600000000, 0.0000000000000000, 0.0002497500000000 ] - [ -0.0033878800000000, 0.0000000000000000, 0.0006183600000000 ] - [ -0.0036537900000000, 0.0000000000000000, 0.0001549000000000 ] - [ -0.0034693700000000, 0.0000497000000000, 0.0003695100000000 ] - [ -0.0036235800000000, -0.0000063500000000, 0.0001803000000000 ] - [ -0.0034693700000000, -0.0000497000000000, 0.0003695100000000 ] - [ -0.0036235800000000, 0.0000063500000000, 0.0001803000000000 ] - [ 0.0032708200000000, -0.0001222900000000, -0.0000976600000000 ] - [ 0.0035033100000000, 0.0002675000000000, -0.0008279100000000 ] - [ 0.0032708200000000, 0.0001222900000000, -0.0000976600000000 ] - [ 0.0035033100000000, -0.0002675000000000, -0.0008279100000000 ] - [ 0.0033759200000000, 0.0000000000000000, -0.0001625600000000 ] - [ 0.0036437400000000, 0.0000000000000000, -0.0003554800000000 ] - [ -0.0163643600000000, 0.0000000000000000, 0.0086568100000000 ] - [ -0.0163063400000000, 0.0000000000000000, 0.0086263700000000 ] - [ -0.0163748500000000, 0.0000217200000000, 0.0086463600000000 ] - [ -0.0162723400000000, -0.0000162700000000, 0.0086353600000000 ] - [ -0.0163748500000000, -0.0000217200000000, 0.0086463600000000 ] - [ -0.0162723400000000, 0.0000162700000000, 0.0086353600000000 ] - [ 0.0159768800000000, -0.0008608900000000, -0.0078203600000000 ] - [ 0.0161715900000000, 0.0000686600000000, -0.0086519100000000 ] - [ 0.0159768800000000, 0.0008608900000000, -0.0078203600000000 ] - [ 0.0161715900000000, -0.0000686600000000, -0.0086519100000000 ] - [ 0.0165232600000000, 0.0000000000000000, -0.0086446500000000 ] - [ 0.0161963100000000, 0.0000000000000000, -0.0086137100000000 ] - [ -0.0162329000000000, 0.0000000000000000, -0.0085930900000000 ] - [ -0.0164007600000000, 0.0000000000000000, -0.0085997800000000 ] - [ -0.0162407000000000, -0.0000126700000000, -0.0085993000000000 ] - [ -0.0163844100000000, 0.0000029100000000, -0.0086058000000000 ] - [ -0.0162407000000000, 0.0000126700000000, -0.0085993000000000 ] - [ -0.0163844100000000, -0.0000029100000000, -0.0086058000000000 ] - [ 0.0162144500000000, -0.0000048900000000, 0.0085722300000000 ] - [ 0.0163919800000000, 0.0001286600000000, 0.0093304400000000 ] - [ 0.0162144500000000, 0.0000048900000000, 0.0085722300000000 ] - [ 0.0163919800000000, -0.0001286600000000, 0.0093304400000000 ] - [ 0.0162765500000000, 0.0000000000000000, 0.0085839000000000 ] - [ 0.0162980100000000, 0.0000000000000000, 0.0086626400000000 ] - [ 0.0002932900000000, 0.0000000000000000, -0.0019209200000000 ] - [ 0.0002658900000000, 0.0000000000000000, -0.0019024900000000 ] - [ 0.0002942400000000, -0.0000065300000000, -0.0019216400000000 ] - [ 0.0002593700000000, 0.0000072200000000, -0.0019097700000000 ] - [ 0.0002942400000000, 0.0000065300000000, -0.0019216400000000 ] - [ 0.0002593700000000, -0.0000072200000000, -0.0019097700000000 ] - [ -0.0030239900000000, -0.0024353600000000, 0.0004516400000000 ] - [ -0.0000564100000000, -0.0000383100000000, 0.0018862200000000 ] - [ -0.0030239900000000, 0.0024353600000000, 0.0004516400000000 ] - [ -0.0000564100000000, 0.0000383100000000, 0.0018862200000000 ] - [ -0.0004324200000000, 0.0000000000000000, 0.0019326800000000 ] - [ -0.0001246000000000, 0.0000000000000000, 0.0018799400000000 ] - [ 0.0001985400000000, 0.0000000000000000, 0.0018311600000000 ] - [ 0.0003318900000000, 0.0000000000000000, 0.0018668300000000 ] - [ 0.0002126300000000, 0.0000009500000000, 0.0018372000000000 ] - [ 0.0003230000000000, 0.0000010300000000, 0.0018726900000000 ] - [ 0.0002126300000000, -0.0000009500000000, 0.0018372000000000 ] - [ 0.0003230000000000, -0.0000010300000000, 0.0018726900000000 ] - [ -0.0000463900000000, 0.0000493900000000, -0.0018380800000000 ] - [ -0.0035508200000000, 0.0024762500000000, -0.0018893600000000 ] - [ -0.0000463900000000, -0.0000493900000000, -0.0018380800000000 ] - [ -0.0035508200000000, -0.0024762500000000, -0.0018893600000000 ] - [ -0.0001325400000000, 0.0000000000000000, -0.0018630100000000 ] - [ -0.0004032900000000, 0.0000000000000000, -0.0018653500000000 ] - [ 0.0025998400000000, 0.0000000000000000, -0.0017321300000000 ] - [ 0.0023382400000000, 0.0000000000000000, -0.0015413400000000 ] - [ 0.0025756200000000, -0.0000141600000000, -0.0017056100000000 ] - [ 0.0023560800000000, 0.0000103400000000, -0.0016657500000000 ] - [ 0.0025756200000000, 0.0000141600000000, -0.0017056100000000 ] - [ 0.0023560800000000, -0.0000103400000000, -0.0016657500000000 ] - [ -0.0032058800000000, -0.0002099600000000, 0.0018543700000000 ] - [ -0.0022820700000000, -0.0000150500000000, 0.0017011100000000 ] - [ -0.0032058800000000, 0.0002099600000000, 0.0018543700000000 ] - [ -0.0022820700000000, 0.0000150500000000, 0.0017011100000000 ] - [ -0.0026815400000000, 0.0000000000000000, 0.0016604500000000 ] - [ -0.0023196300000000, 0.0000000000000000, 0.0016951600000000 ] - [ 0.0023867000000000, 0.0000000000000000, 0.0017092800000000 ] - [ 0.0025944600000000, 0.0000000000000000, 0.0016036900000000 ] - [ 0.0024017700000000, -0.0000151400000000, 0.0016907500000000 ] - [ 0.0025681700000000, 0.0000156600000000, 0.0016205100000000 ] - [ 0.0024017700000000, 0.0000151400000000, 0.0016907500000000 ] - [ 0.0025681700000000, -0.0000156600000000, 0.0016205100000000 ] - [ -0.0023143300000000, 0.0000338900000000, -0.0015116400000000 ] - [ -0.0023357700000000, -0.0000489500000000, -0.0019515200000000 ] - [ -0.0023143300000000, -0.0000338900000000, -0.0015116400000000 ] - [ -0.0023357700000000, 0.0000489500000000, -0.0019515200000000 ] - [ -0.0024348900000000, 0.0000000000000000, -0.0015976500000000 ] - [ -0.0024835500000000, 0.0000000000000000, -0.0017372100000000 ] - [ -0.0151803000000000, 0.0000000000000000, -0.0081946800000000 ] - [ -0.0159353500000000, 0.0000000000000000, -0.0078151000000000 ] - [ -0.0152045000000000, -0.0000242300000000, -0.0081979300000000 ] - [ -0.0155881200000000, 0.0001638700000000, -0.0083541700000000 ] - [ -0.0152045000000000, 0.0000242300000000, -0.0081979300000000 ] - [ -0.0155881200000000, -0.0001638700000000, -0.0083541700000000 ] - [ 0.0152164600000000, -0.0000236600000000, 0.0081677500000000 ] - [ 0.0153937100000000, -0.0000023000000000, 0.0082385300000000 ] - [ 0.0152164600000000, 0.0000236600000000, 0.0081677500000000 ] - [ 0.0153937100000000, 0.0000023000000000, 0.0082385300000000 ] - [ 0.0152436900000000, 0.0000000000000000, 0.0081766500000000 ] - [ 0.0153846500000000, 0.0000000000000000, 0.0082382000000000 ] - [ -0.0148530900000000, 0.0000000000000000, 0.0077774800000000 ] - [ -0.0150363600000000, 0.0000000000000000, 0.0083318900000000 ] - [ -0.0153078400000000, -0.0001990000000000, 0.0081011700000000 ] - [ -0.0151875800000000, 0.0000786400000000, 0.0082919900000000 ] - [ -0.0153078400000000, 0.0001990000000000, 0.0081011700000000 ] - [ -0.0151875800000000, -0.0000786400000000, 0.0082919900000000 ] - [ 0.0153441200000000, 0.0000382100000000, -0.0083241500000000 ] - [ 0.0153218500000000, -0.0000160600000000, -0.0081824900000000 ] - [ 0.0153441200000000, -0.0000382100000000, -0.0083241500000000 ] - [ 0.0153218500000000, 0.0000160600000000, -0.0081824900000000 ] - [ 0.0153328500000000, 0.0000000000000000, -0.0082902700000000 ] - [ 0.0153000500000000, 0.0000000000000000, -0.0082057900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008102300000000, -0.0176023900000000, 0.0000387200000000 ] - [ -0.0008231400000000, -0.0000762700000000, 0.0000590300000000 ] - [ -0.0008280100000000, 0.0015044600000000, 0.0000470500000000 ] - [ -0.0008219200000000, 0.0000382000000000, 0.0000640200000000 ] - [ -0.0008183000000000, 0.0014903700000000, 0.0000711900000000 ] - [ -0.0008243500000000, 0.0000381700000000, 0.0000540400000000 ] - [ 0.0008286900000000, -0.0000097600000000, -0.0000616200000000 ] - [ 0.0008064000000000, -0.0000390000000000, -0.0000980700000000 ] - [ 0.0008174900000000, -0.0000097700000000, -0.0000564000000000 ] - [ 0.0008398200000000, -0.0000390100000000, -0.0000198600000000 ] - [ 0.0008231000000000, 0.0000196100000000, -0.0000590200000000 ] - [ 0.0008231100000000, 0.0000781700000000, -0.0000590100000000 ] - [ -0.0008226900000000, -0.0005904100000000, -0.0000588800000000 ] - [ -0.0008237400000000, -0.0005904000000000, -0.0000589300000000 ] - [ -0.0010760300000000, 0.0002849700000000, -0.0001218900000000 ] - [ -0.0006125000000000, 0.0002849400000000, -0.0001500500000000 ] - [ -0.0005701100000000, 0.0002852200000000, 0.0000033700000000 ] - [ -0.0010336600000000, 0.0002852200000000, 0.0000323500000000 ] - [ 0.0008265400000000, -0.0000211100000000, 0.0000523200000000 ] - [ 0.0008149000000000, -0.0000141900000000, 0.0000576900000000 ] - [ 0.0008197000000000, -0.0000211400000000, 0.0000658400000000 ] - [ 0.0008312900000000, -0.0000142100000000, 0.0000603800000000 ] - [ 0.0008231100000000, 0.0000419400000000, 0.0000590500000000 ] - [ 0.0008231100000000, 0.0000282300000000, 0.0000590400000000 ] - [ -0.0035432600000000, -0.0000717400000000, -0.0002337800000000 ] - [ -0.0035436900000000, -0.0000974600000000, -0.0002334500000000 ] - [ -0.0035625900000000, 0.0000359000000000, -0.0002571400000000 ] - [ -0.0035220700000000, 0.0000540800000000, -0.0003101400000000 ] - [ -0.0035239600000000, 0.0000359200000000, -0.0002103900000000 ] - [ -0.0035644100000000, 0.0000542100000000, -0.0001576300000000 ] - [ 0.0035091500000000, -0.0000710800000000, 0.0006302900000000 ] - [ 0.0034948800000000, -0.0000157100000000, 0.0002555300000000 ] - [ 0.0035776100000000, -0.0000718700000000, -0.0001629000000000 ] - [ 0.0035916900000000, -0.0000157000000000, 0.0002120700000000 ] - [ 0.0035431300000000, 0.0001654800000000, 0.0002336600000000 ] - [ 0.0035433100000000, 0.0000319900000000, 0.0002338000000000 ] - [ -0.0035432400000000, -0.0005798500000000, 0.0002334700000000 ] - [ -0.0035433000000000, -0.0000272500000000, 0.0002337900000000 ] - [ -0.0036490000000000, 0.0002784500000000, 0.0004656700000000 ] - [ -0.0035282300000000, 0.0000135900000000, 0.0002525000000000 ] - [ -0.0034374200000000, 0.0002782800000000, 0.0000023600000000 ] - [ -0.0035584100000000, 0.0000135700000000, 0.0002150500000000 ] - [ 0.0036018700000000, -0.0000630600000000, -0.0002718200000000 ] - [ 0.0031447000000000, -0.0000312800000000, -0.0006491400000000 ] - [ 0.0034845300000000, -0.0000632300000000, -0.0001957100000000 ] - [ 0.0039424100000000, -0.0000318500000000, 0.0001815300000000 ] - [ 0.0035431700000000, 0.0001234500000000, -0.0002337500000000 ] - [ 0.0035434600000000, 0.0001652000000000, -0.0002337000000000 ] - [ -0.0163241500000000, -0.0000762300000000, 0.0086208100000000 ] - [ -0.0163240700000000, -0.0000220000000000, 0.0086209100000000 ] - [ -0.0163182400000000, 0.0000400000000000, 0.0086224900000000 ] - [ -0.0162338400000000, 0.0000124000000000, 0.0086524100000000 ] - [ -0.0163299800000000, 0.0000399500000000, 0.0086190600000000 ] - [ -0.0164143900000000, 0.0000123700000000, 0.0085890600000000 ] - [ 0.0174795600000000, 0.0002936100000000, -0.0092233500000000 ] - [ 0.0163213200000000, -0.0000616300000000, -0.0086648300000000 ] - [ 0.0151597500000000, 0.0002985300000000, -0.0080141000000000 ] - [ 0.0163267800000000, -0.0000616400000000, -0.0085766600000000 ] - [ 0.0163240500000000, 0.0002911500000000, -0.0086208200000000 ] - [ 0.0163241000000000, 0.0001196900000000, -0.0086208100000000 ] - [ -0.0163234700000000, -0.0000392900000000, -0.0086206200000000 ] - [ -0.0163235200000000, -0.0000133700000000, -0.0086207300000000 ] - [ -0.0162937500000000, 0.0000176100000000, -0.0086050400000000 ] - [ -0.0163052700000000, 0.0000051400000000, -0.0086240200000000 ] - [ -0.0163533400000000, 0.0000177400000000, -0.0086364000000000 ] - [ -0.0163417700000000, 0.0000052100000000, -0.0086174900000000 ] - [ 0.0164077000000000, -0.0000153700000000, 0.0086186700000000 ] - [ 0.0164225000000000, -0.0001434000000000, 0.0093963100000000 ] - [ 0.0162394500000000, -0.0000152100000000, 0.0086227800000000 ] - [ 0.0162251400000000, -0.0001449800000000, 0.0078426300000000 ] - [ 0.0163235200000000, 0.0000339700000000, 0.0086207500000000 ] - [ 0.0163235300000000, 0.0002727900000000, 0.0086206700000000 ] - [ 0.0002726900000000, 0.0000258700000000, -0.0018818300000000 ] - [ 0.0002727100000000, 0.0000221200000000, -0.0018818500000000 ] - [ 0.0002778300000000, -0.0000127200000000, -0.0018776000000000 ] - [ 0.0002593600000000, -0.0000106400000000, -0.0019028600000000 ] - [ 0.0002675200000000, -0.0000128200000000, -0.0018862200000000 ] - [ 0.0002860400000000, -0.0000106600000000, -0.0018607000000000 ] - [ 0.0019580900000000, 0.0027315600000000, 0.0032768900000000 ] - [ -0.0002073800000000, 0.0000420000000000, 0.0018904800000000 ] - [ -0.0025834600000000, 0.0027941500000000, 0.0004466500000000 ] - [ -0.0003379600000000, 0.0000419100000000, 0.0018731100000000 ] - [ -0.0002721400000000, -0.0003779100000000, 0.0018820100000000 ] - [ -0.0002726300000000, -0.0000841400000000, 0.0018817800000000 ] - [ 0.0002727100000000, 0.0000387500000000, 0.0018816700000000 ] - [ 0.0002727200000000, 0.0000122700000000, 0.0018817100000000 ] - [ 0.0002699600000000, -0.0000184100000000, 0.0018279400000000 ] - [ 0.0002700100000000, -0.0000055900000000, 0.0018811800000000 ] - [ 0.0002755100000000, -0.0000184300000000, 0.0019354700000000 ] - [ 0.0002754700000000, -0.0000056100000000, 0.0018823100000000 ] - [ -0.0003528400000000, 0.0000474600000000, -0.0018794000000000 ] - [ -0.0027801000000000, 0.0025915600000000, -0.0019604400000000 ] - [ -0.0001923500000000, 0.0000473100000000, -0.0018840900000000 ] - [ 0.0023204800000000, 0.0026515300000000, -0.0018107500000000 ] - [ -0.0002727300000000, -0.0000957600000000, -0.0018816200000000 ] - [ -0.0002733700000000, -0.0003615300000000, -0.0018816500000000 ] - [ 0.0024798200000000, 0.0000298200000000, -0.0016697300000000 ] - [ 0.0024795600000000, 0.0001883500000000, -0.0016697700000000 ] - [ 0.0024888400000000, -0.0000149200000000, -0.0016759900000000 ] - [ 0.0023770100000000, -0.0000945300000000, -0.0017808700000000 ] - [ 0.0024708800000000, -0.0000149400000000, -0.0016635000000000 ] - [ 0.0025826900000000, -0.0000945200000000, -0.0015586800000000 ] - [ -0.0025043500000000, 0.0018771900000000, 0.0000819900000000 ] - [ -0.0024868400000000, 0.0000204500000000, 0.0016860800000000 ] - [ -0.0024658800000000, 0.0019219800000000, 0.0033194100000000 ] - [ -0.0024727200000000, 0.0000204500000000, 0.0016533700000000 ] - [ -0.0024796300000000, -0.0003506000000000, 0.0016692600000000 ] - [ -0.0024797400000000, -0.0000400600000000, 0.0016697300000000 ] - [ 0.0024797400000000, 0.0000699400000000, 0.0016696500000000 ] - [ 0.0024798300000000, 0.0000402500000000, 0.0016697300000000 ] - [ 0.0024890000000000, -0.0000357700000000, 0.0017033000000000 ] - [ 0.0024548000000000, -0.0000193300000000, 0.0016840600000000 ] - [ 0.0024706300000000, -0.0000358300000000, 0.0016362400000000 ] - [ 0.0025047500000000, -0.0000193300000000, 0.0016554400000000 ] - [ -0.0026648800000000, 0.0000398000000000, -0.0017937100000000 ] - [ -0.0023613100000000, 0.0000732800000000, -0.0018959700000000 ] - [ -0.0022948400000000, 0.0000396200000000, -0.0015458800000000 ] - [ -0.0025983600000000, 0.0000736400000000, -0.0014430600000000 ] - [ -0.0024797700000000, -0.0000790200000000, -0.0016697500000000 ] - [ -0.0024800200000000, -0.0001236000000000, -0.0016697800000000 ] - [ -0.0153200600000000, 0.0000889800000000, -0.0082295500000000 ] - [ -0.0153200500000000, 0.0007454800000000, -0.0082260300000000 ] - [ -0.0153054500000000, -0.0000447000000000, -0.0082270900000000 ] - [ -0.0153389500000000, -0.0002709800000000, -0.0080447800000000 ] - [ -0.0153346400000000, -0.0000447200000000, -0.0082320500000000 ] - [ -0.0153014700000000, -0.0002709200000000, -0.0084136200000000 ] - [ 0.0153252500000000, 0.0000424300000000, 0.0082099500000000 ] - [ 0.0153145000000000, 0.0000137400000000, 0.0082200000000000 ] - [ 0.0153147600000000, 0.0000427600000000, 0.0082489700000000 ] - [ 0.0153256600000000, 0.0000137100000000, 0.0082391400000000 ] - [ 0.0153200800000000, -0.0000752300000000, 0.0082296500000000 ] - [ 0.0153200800000000, -0.0000275200000000, 0.0082295800000000 ] - [ -0.0153200300000000, 0.0007420600000000, 0.0082295500000000 ] - [ -0.0153200800000000, 0.0001976300000000, 0.0082295000000000 ] - [ -0.0151136300000000, -0.0003908000000000, 0.0081249300000000 ] - [ -0.0154131200000000, -0.0000998500000000, 0.0081993000000000 ] - [ -0.0155262400000000, -0.0003906700000000, 0.0083341100000000 ] - [ -0.0152269100000000, -0.0000999900000000, 0.0082600000000000 ] - [ 0.0152586300000000, 0.0000491100000000, -0.0081825900000000 ] - [ 0.0153430000000000, 0.0000405400000000, -0.0081947600000000 ] - [ 0.0153816300000000, 0.0000490300000000, -0.0082766500000000 ] - [ 0.0152970400000000, 0.0000405400000000, -0.0082643900000000 ] - [ 0.0153200600000000, -0.0001012200000000, -0.0082296100000000 ] - [ 0.0153200300000000, -0.0000828900000000, -0.0082295300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0017181100000000, 0.0000000000000000, -0.0110010600000000 ] - [ -0.0008409900000000, 0.0000000000000000, 0.0000104500000000 ] - [ -0.0007810600000000, 0.0000106700000000, -0.0004981900000000 ] - [ -0.0008394500000000, -0.0000050000000000, 0.0000209100000000 ] - [ -0.0007810600000000, -0.0000106700000000, -0.0004981900000000 ] - [ -0.0008394500000000, 0.0000050000000000, 0.0000209100000000 ] - [ 0.0007921300000000, -0.0000026300000000, -0.0000111200000000 ] - [ 0.0008126000000000, -0.0000393600000000, 0.0001282400000000 ] - [ 0.0007921300000000, 0.0000026300000000, -0.0000111200000000 ] - [ 0.0008126000000000, 0.0000393600000000, 0.0001282400000000 ] - [ 0.0007973200000000, 0.0000000000000000, -0.0000182500000000 ] - [ 0.0008082400000000, 0.0000000000000000, 0.0000550500000000 ] - [ -0.0005187800000000, 0.0000000000000000, -0.0002276000000000 ] - [ -0.0011304000000000, 0.0000000000000000, -0.0002268100000000 ] - [ -0.0007246900000000, -0.0000914200000000, -0.0001395000000000 ] - [ -0.0009051000000000, -0.0000628500000000, -0.0001390000000000 ] - [ -0.0007246900000000, 0.0000914200000000, -0.0001395000000000 ] - [ -0.0009051000000000, 0.0000628500000000, -0.0001390000000000 ] - [ 0.0008517200000000, 0.0000066700000000, 0.0001755400000000 ] - [ 0.0008399100000000, 0.0000012800000000, 0.0001322200000000 ] - [ 0.0008517200000000, -0.0000066700000000, 0.0001755400000000 ] - [ 0.0008399100000000, -0.0000012800000000, 0.0001322200000000 ] - [ 0.0008451700000000, 0.0000000000000000, 0.0001453000000000 ] - [ 0.0008391100000000, 0.0000000000000000, 0.0001166800000000 ] - [ -0.0035049100000000, 0.0000000000000000, -0.0001843100000000 ] - [ -0.0037917900000000, 0.0000000000000000, 0.0001825800000000 ] - [ -0.0035211300000000, -0.0000119300000000, -0.0001913800000000 ] - [ -0.0035756200000000, -0.0000617000000000, -0.0000945000000000 ] - [ -0.0035211300000000, 0.0000119300000000, -0.0001913800000000 ] - [ -0.0035756200000000, 0.0000617000000000, -0.0000945000000000 ] - [ 0.0038615900000000, 0.0003167800000000, 0.0005738500000000 ] - [ 0.0034547800000000, 0.0000058700000000, 0.0002496100000000 ] - [ 0.0038615900000000, -0.0003167800000000, 0.0005738500000000 ] - [ 0.0034547800000000, -0.0000058700000000, 0.0002496100000000 ] - [ 0.0036346000000000, 0.0000000000000000, 0.0002743600000000 ] - [ 0.0035014600000000, 0.0000000000000000, 0.0002402900000000 ] - [ -0.0039211400000000, 0.0000000000000000, 0.0010135200000000 ] - [ -0.0035301700000000, 0.0000000000000000, 0.0002175700000000 ] - [ -0.0036876600000000, 0.0002190700000000, 0.0005015100000000 ] - [ -0.0035369300000000, 0.0000063600000000, 0.0002119700000000 ] - [ -0.0036876600000000, -0.0002190700000000, 0.0005015100000000 ] - [ -0.0035369300000000, -0.0000063600000000, 0.0002119700000000 ] - [ 0.0034112200000000, -0.0000614300000000, -0.0002231900000000 ] - [ 0.0040736800000000, -0.0002710300000000, -0.0002124100000000 ] - [ 0.0034112200000000, 0.0000614300000000, -0.0002231900000000 ] - [ 0.0040736800000000, 0.0002710300000000, -0.0002124100000000 ] - [ 0.0034698200000000, 0.0000000000000000, -0.0002362700000000 ] - [ 0.0036436800000000, 0.0000000000000000, -0.0003346800000000 ] - [ -0.0163763200000000, 0.0000000000000000, 0.0086861800000000 ] - [ -0.0161281000000000, 0.0000000000000000, 0.0087786200000000 ] - [ -0.0163770300000000, 0.0000308100000000, 0.0086747500000000 ] - [ -0.0162411900000000, 0.0000061900000000, 0.0087132700000000 ] - [ -0.0163770300000000, -0.0000308100000000, 0.0086747500000000 ] - [ -0.0162411900000000, -0.0000061900000000, 0.0087132700000000 ] - [ 0.0155330800000000, -0.0004448400000000, -0.0094198400000000 ] - [ 0.0163189800000000, -0.0000204400000000, -0.0086842200000000 ] - [ 0.0155330800000000, 0.0004448400000000, -0.0094198400000000 ] - [ 0.0163189800000000, 0.0000204400000000, -0.0086842200000000 ] - [ 0.0163371100000000, 0.0000000000000000, -0.0088032300000000 ] - [ 0.0163147700000000, 0.0000000000000000, -0.0086601700000000 ] - [ -0.0162887500000000, 0.0000000000000000, -0.0084533400000000 ] - [ -0.0163612500000000, 0.0000000000000000, -0.0085661500000000 ] - [ -0.0162707400000000, -0.0000518000000000, -0.0085141000000000 ] - [ -0.0163467700000000, -0.0000018700000000, -0.0085762600000000 ] - [ -0.0162707400000000, 0.0000518000000000, -0.0085141000000000 ] - [ -0.0163467700000000, 0.0000018700000000, -0.0085762600000000 ] - [ 0.0163560300000000, 0.0000059800000000, 0.0085594200000000 ] - [ 0.0158252300000000, 0.0006606400000000, 0.0083743300000000 ] - [ 0.0163560300000000, -0.0000059800000000, 0.0085594200000000 ] - [ 0.0158252300000000, -0.0006606400000000, 0.0083743300000000 ] - [ 0.0163265100000000, 0.0000000000000000, 0.0085768900000000 ] - [ 0.0161720300000000, 0.0000000000000000, 0.0084958800000000 ] - [ 0.0002810200000000, 0.0000000000000000, -0.0019936400000000 ] - [ 0.0002574000000000, 0.0000000000000000, -0.0021049400000000 ] - [ 0.0002843400000000, -0.0000059200000000, -0.0019743300000000 ] - [ 0.0002665000000000, 0.0000006800000000, -0.0020096200000000 ] - [ 0.0002843400000000, 0.0000059200000000, -0.0019743300000000 ] - [ 0.0002665000000000, -0.0000006800000000, -0.0020096200000000 ] - [ 0.0010395800000000, 0.0014010700000000, 0.0034270500000000 ] - [ -0.0002303800000000, -0.0000066300000000, 0.0019756200000000 ] - [ 0.0010395800000000, -0.0014010700000000, 0.0034270500000000 ] - [ -0.0002303800000000, 0.0000066300000000, 0.0019756200000000 ] - [ -0.0002964300000000, 0.0000000000000000, 0.0020841900000000 ] - [ -0.0002507500000000, 0.0000000000000000, 0.0019459700000000 ] - [ 0.0002654300000000, 0.0000000000000000, 0.0016354300000000 ] - [ 0.0002758300000000, 0.0000000000000000, 0.0018158400000000 ] - [ 0.0002544800000000, 0.0000012900000000, 0.0017060300000000 ] - [ 0.0002741500000000, -0.0000016100000000, 0.0018251900000000 ] - [ 0.0002544800000000, -0.0000012900000000, 0.0017060300000000 ] - [ 0.0002741500000000, 0.0000016100000000, 0.0018251900000000 ] - [ -0.0002749500000000, 0.0000038000000000, -0.0017728900000000 ] - [ -0.0005285100000000, 0.0002319300000000, -0.0012578200000000 ] - [ -0.0002749500000000, -0.0000038000000000, -0.0017728900000000 ] - [ -0.0005285100000000, -0.0002319300000000, -0.0012578200000000 ] - [ -0.0002614700000000, 0.0000000000000000, -0.0017994000000000 ] - [ -0.0002804900000000, 0.0000000000000000, -0.0017265300000000 ] - [ 0.0025472500000000, 0.0000000000000000, -0.0017028600000000 ] - [ 0.0022264100000000, 0.0000000000000000, -0.0019960700000000 ] - [ 0.0025358400000000, -0.0000113700000000, -0.0016901700000000 ] - [ 0.0023482000000000, -0.0000617300000000, -0.0017818000000000 ] - [ 0.0025358400000000, 0.0000113700000000, -0.0016901700000000 ] - [ 0.0023482000000000, 0.0000617300000000, -0.0017818000000000 ] - [ -0.0024393300000000, -0.0017874700000000, 0.0043486400000000 ] - [ -0.0024627200000000, 0.0000060100000000, 0.0017141600000000 ] - [ -0.0024393300000000, 0.0017874700000000, 0.0043486400000000 ] - [ -0.0024627200000000, -0.0000060100000000, 0.0017141600000000 ] - [ -0.0024867200000000, 0.0000000000000000, 0.0017875700000000 ] - [ -0.0024582500000000, 0.0000000000000000, 0.0017069000000000 ] - [ 0.0023983300000000, 0.0000000000000000, 0.0014916800000000 ] - [ 0.0025507700000000, 0.0000000000000000, 0.0015855800000000 ] - [ 0.0024349600000000, 0.0000387400000000, 0.0015685600000000 ] - [ 0.0025243100000000, 0.0000135900000000, 0.0016014700000000 ] - [ 0.0024349600000000, -0.0000387400000000, 0.0015685600000000 ] - [ 0.0025243100000000, -0.0000135900000000, 0.0016014700000000 ] - [ -0.0025693300000000, -0.0000181000000000, -0.0016796600000000 ] - [ -0.0022009000000000, -0.0001450600000000, -0.0016670200000000 ] - [ -0.0025693300000000, 0.0000181000000000, -0.0016796600000000 ] - [ -0.0022009000000000, 0.0001450600000000, -0.0016670200000000 ] - [ -0.0025078500000000, 0.0000000000000000, -0.0016618100000000 ] - [ -0.0024002000000000, 0.0000000000000000, -0.0016666600000000 ] - [ -0.0153188700000000, 0.0000000000000000, -0.0082078900000000 ] - [ -0.0155972800000000, 0.0000000000000000, -0.0055785700000000 ] - [ -0.0153155500000000, 0.0000119500000000, -0.0082098100000000 ] - [ -0.0152720200000000, 0.0002115700000000, -0.0081836800000000 ] - [ -0.0153155500000000, -0.0000119500000000, -0.0082098100000000 ] - [ -0.0152720200000000, -0.0002115700000000, -0.0081836800000000 ] - [ 0.0152683000000000, -0.0000819900000000, 0.0080398200000000 ] - [ 0.0153323000000000, -0.0000070300000000, 0.0081948700000000 ] - [ 0.0152683000000000, 0.0000819900000000, 0.0080398200000000 ] - [ 0.0153323000000000, 0.0000070300000000, 0.0081948700000000 ] - [ 0.0152932000000000, 0.0000000000000000, 0.0081391000000000 ] - [ 0.0153328700000000, 0.0000000000000000, 0.0082010000000000 ] - [ -0.0148803100000000, 0.0000000000000000, 0.0083943700000000 ] - [ -0.0153951000000000, 0.0000000000000000, 0.0083166400000000 ] - [ -0.0151927400000000, -0.0000984300000000, 0.0084082800000000 ] - [ -0.0153234000000000, -0.0000017600000000, 0.0082944300000000 ] - [ -0.0151927400000000, 0.0000984300000000, 0.0084082800000000 ] - [ -0.0153234000000000, 0.0000017600000000, 0.0082944300000000 ] - [ 0.0154299700000000, 0.0000349200000000, -0.0083346300000000 ] - [ 0.0152365200000000, 0.0000306100000000, -0.0082638300000000 ] - [ 0.0154299700000000, -0.0000349200000000, -0.0083346300000000 ] - [ 0.0152365200000000, -0.0000306100000000, -0.0082638300000000 ] - [ 0.0153823200000000, 0.0000000000000000, -0.0082869600000000 ] - [ 0.0152574200000000, 0.0000000000000000, -0.0082420300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001164100000000, 0.0000000000000000, 0.0110928100000000 ] - [ -0.0008060700000000, 0.0000000000000000, 0.0001059200000000 ] - [ -0.0008654900000000, -0.0000135000000000, 0.0006139700000000 ] - [ -0.0008076700000000, 0.0000050200000000, 0.0000954600000000 ] - [ -0.0008654900000000, 0.0000135000000000, 0.0006139700000000 ] - [ -0.0008076700000000, -0.0000050200000000, 0.0000954600000000 ] - [ 0.0008548700000000, 0.0000026200000000, -0.0001054500000000 ] - [ 0.0008343500000000, 0.0000389000000000, -0.0002446300000000 ] - [ 0.0008548700000000, -0.0000026200000000, -0.0001054500000000 ] - [ 0.0008343500000000, -0.0000389000000000, -0.0002446300000000 ] - [ 0.0008496200000000, 0.0000000000000000, -0.0000983400000000 ] - [ 0.0008387100000000, 0.0000000000000000, -0.0001716700000000 ] - [ -0.0011277000000000, 0.0000000000000000, 0.0001114400000000 ] - [ -0.0005174700000000, 0.0000000000000000, 0.0001123100000000 ] - [ -0.0009216900000000, 0.0000909300000000, 0.0000227300000000 ] - [ -0.0007424400000000, 0.0000624200000000, 0.0000234100000000 ] - [ -0.0009216900000000, -0.0000909300000000, 0.0000227300000000 ] - [ -0.0007424400000000, -0.0000624200000000, 0.0000234100000000 ] - [ 0.0007951600000000, -0.0000068500000000, -0.0000590500000000 ] - [ 0.0008072700000000, -0.0000013600000000, -0.0000156900000000 ] - [ 0.0007951600000000, 0.0000068500000000, -0.0000590500000000 ] - [ 0.0008072700000000, 0.0000013600000000, -0.0000156900000000 ] - [ 0.0008018000000000, 0.0000000000000000, -0.0000288800000000 ] - [ 0.0008079800000000, 0.0000000000000000, -0.0000002000000000 ] - [ -0.0035839700000000, 0.0000000000000000, -0.0002834700000000 ] - [ -0.0032968100000000, 0.0000000000000000, -0.0006515200000000 ] - [ -0.0035676500000000, 0.0000119100000000, -0.0002764500000000 ] - [ -0.0035131000000000, 0.0000619000000000, -0.0003736000000000 ] - [ -0.0035676500000000, -0.0000119100000000, -0.0002764500000000 ] - [ -0.0035131000000000, -0.0000619000000000, -0.0003736000000000 ] - [ 0.0032253500000000, -0.0003190500000000, -0.0001075100000000 ] - [ 0.0036342600000000, -0.0000058900000000, 0.0002186700000000 ] - [ 0.0032253500000000, 0.0003190500000000, -0.0001075100000000 ] - [ 0.0036342600000000, 0.0000058900000000, 0.0002186700000000 ] - [ 0.0034538500000000, 0.0000000000000000, 0.0001939700000000 ] - [ 0.0035874000000000, 0.0000000000000000, 0.0002279800000000 ] - [ -0.0031708400000000, 0.0000000000000000, -0.0005393800000000 ] - [ -0.0035585900000000, 0.0000000000000000, 0.0002502300000000 ] - [ -0.0034008400000000, -0.0002188900000000, -0.0000332200000000 ] - [ -0.0035518000000000, -0.0000062900000000, 0.0002558900000000 ] - [ -0.0034008400000000, 0.0002188900000000, -0.0000332200000000 ] - [ -0.0035518000000000, 0.0000062900000000, 0.0002558900000000 ] - [ 0.0036773700000000, 0.0000613000000000, -0.0002449200000000 ] - [ 0.0030172000000000, 0.0002690700000000, -0.0002561200000000 ] - [ 0.0036773700000000, -0.0000613000000000, -0.0002449200000000 ] - [ 0.0030172000000000, -0.0002690700000000, -0.0002561200000000 ] - [ 0.0036189100000000, 0.0000000000000000, -0.0002318200000000 ] - [ 0.0034450800000000, 0.0000000000000000, -0.0001336500000000 ] - [ -0.0162725900000000, 0.0000000000000000, 0.0085563900000000 ] - [ -0.0165196400000000, 0.0000000000000000, 0.0084642500000000 ] - [ -0.0162719400000000, -0.0000305400000000, 0.0085677900000000 ] - [ -0.0164078500000000, -0.0000060300000000, 0.0085291700000000 ] - [ -0.0162719400000000, 0.0000305400000000, 0.0085677900000000 ] - [ -0.0164078500000000, 0.0000060300000000, 0.0085291700000000 ] - [ 0.0171132500000000, 0.0004434700000000, -0.0078257900000000 ] - [ 0.0163297500000000, 0.0000205600000000, -0.0085588000000000 ] - [ 0.0171132500000000, -0.0004434700000000, -0.0078257900000000 ] - [ 0.0163297500000000, -0.0000205600000000, -0.0085588000000000 ] - [ 0.0163118100000000, 0.0000000000000000, -0.0084394400000000 ] - [ 0.0163339200000000, 0.0000000000000000, -0.0085823300000000 ] - [ -0.0163590300000000, 0.0000000000000000, -0.0087890900000000 ] - [ -0.0162863300000000, 0.0000000000000000, -0.0086763400000000 ] - [ -0.0163771500000000, 0.0000520900000000, -0.0087285900000000 ] - [ -0.0163008400000000, 0.0000020100000000, -0.0086664000000000 ] - [ -0.0163771500000000, -0.0000520900000000, -0.0087285900000000 ] - [ -0.0163008400000000, -0.0000020100000000, -0.0086664000000000 ] - [ 0.0162918700000000, -0.0000060300000000, 0.0086831400000000 ] - [ 0.0168270300000000, -0.0006647800000000, 0.0088707800000000 ] - [ 0.0162918700000000, 0.0000060300000000, 0.0086831400000000 ] - [ 0.0168270300000000, 0.0006647800000000, 0.0088707800000000 ] - [ 0.0163214600000000, 0.0000000000000000, 0.0086656600000000 ] - [ 0.0164761300000000, 0.0000000000000000, 0.0087472000000000 ] - [ 0.0002671500000000, 0.0000000000000000, -0.0017787000000000 ] - [ 0.0002904700000000, 0.0000000000000000, -0.0016678900000000 ] - [ 0.0002637200000000, 0.0000059000000000, -0.0017980900000000 ] - [ 0.0002816000000000, -0.0000008100000000, -0.0017624900000000 ] - [ 0.0002637200000000, -0.0000059000000000, -0.0017980900000000 ] - [ 0.0002816000000000, 0.0000008100000000, -0.0017624900000000 ] - [ -0.0016038400000000, -0.0014170800000000, 0.0003481000000000 ] - [ -0.0003174400000000, 0.0000066300000000, 0.0017964800000000 ] - [ -0.0016038400000000, 0.0014170800000000, 0.0003481000000000 ] - [ -0.0003174400000000, -0.0000066300000000, 0.0017964800000000 ] - [ -0.0002515700000000, 0.0000000000000000, 0.0016881700000000 ] - [ -0.0002973000000000, 0.0000000000000000, 0.0018264400000000 ] - [ 0.0002828500000000, 0.0000000000000000, 0.0021367800000000 ] - [ 0.0002722600000000, 0.0000000000000000, 0.0019566000000000 ] - [ 0.0002938800000000, -0.0000014100000000, 0.0020666100000000 ] - [ 0.0002739700000000, 0.0000016100000000, 0.0019472000000000 ] - [ 0.0002938800000000, 0.0000014100000000, 0.0020666100000000 ] - [ 0.0002739700000000, -0.0000016100000000, 0.0019472000000000 ] - [ -0.0002732200000000, -0.0000036600000000, -0.0019995500000000 ] - [ -0.0000313700000000, -0.0002224800000000, -0.0025146000000000 ] - [ -0.0002732200000000, 0.0000036600000000, -0.0019995500000000 ] - [ -0.0000313700000000, 0.0002224800000000, -0.0025146000000000 ] - [ -0.0002868000000000, 0.0000000000000000, -0.0019730600000000 ] - [ -0.0002679600000000, 0.0000000000000000, -0.0020464000000000 ] - [ 0.0024199700000000, 0.0000000000000000, -0.0016339000000000 ] - [ 0.0027395800000000, 0.0000000000000000, -0.0013429400000000 ] - [ 0.0024313100000000, 0.0000113100000000, -0.0016465200000000 ] - [ 0.0026191700000000, 0.0000615500000000, -0.0015547800000000 ] - [ 0.0024313100000000, -0.0000113100000000, -0.0016465200000000 ] - [ 0.0026191700000000, -0.0000615500000000, -0.0015547800000000 ] - [ -0.0025410900000000, 0.0017062000000000, -0.0009315600000000 ] - [ -0.0025042200000000, -0.0000060000000000, 0.0016227900000000 ] - [ -0.0025410900000000, -0.0017062000000000, -0.0009315600000000 ] - [ -0.0025042200000000, 0.0000060000000000, 0.0016227900000000 ] - [ -0.0024803700000000, 0.0000000000000000, 0.0015494900000000 ] - [ -0.0025086700000000, 0.0000000000000000, 0.0016300800000000 ] - [ 0.0025693900000000, 0.0000000000000000, 0.0018452800000000 ] - [ 0.0024162400000000, 0.0000000000000000, 0.0017511500000000 ] - [ 0.0025324500000000, -0.0000391200000000, 0.0017682600000000 ] - [ 0.0024426400000000, -0.0000137400000000, 0.0017354300000000 ] - [ 0.0025324500000000, 0.0000391200000000, 0.0017682600000000 ] - [ 0.0024426400000000, 0.0000137400000000, 0.0017354300000000 ] - [ -0.0023979900000000, 0.0000180600000000, -0.0016576300000000 ] - [ -0.0027677700000000, 0.0001456100000000, -0.0016702900000000 ] - [ -0.0023979900000000, -0.0000180600000000, -0.0016576300000000 ] - [ -0.0027677700000000, -0.0001456100000000, -0.0016702900000000 ] - [ -0.0024595400000000, 0.0000000000000000, -0.0016750200000000 ] - [ -0.0025672500000000, 0.0000000000000000, -0.0016705500000000 ] - [ -0.0153125000000000, 0.0000000000000000, -0.0082479300000000 ] - [ -0.0149982900000000, 0.0000000000000000, -0.0110187300000000 ] - [ -0.0153157600000000, -0.0000118700000000, -0.0082459200000000 ] - [ -0.0153594200000000, -0.0002122800000000, -0.0082726200000000 ] - [ -0.0153157600000000, 0.0000118700000000, -0.0082459200000000 ] - [ -0.0153594200000000, 0.0002122800000000, -0.0082726200000000 ] - [ 0.0153629200000000, 0.0000820900000000, 0.0084160600000000 ] - [ 0.0152987200000000, 0.0000071200000000, 0.0082606800000000 ] - [ 0.0153629200000000, -0.0000820900000000, 0.0084160600000000 ] - [ 0.0152987200000000, -0.0000071200000000, 0.0082606800000000 ] - [ 0.0153382300000000, 0.0000000000000000, 0.0083168100000000 ] - [ 0.0152983300000000, 0.0000000000000000, 0.0082547500000000 ] - [ -0.0157500300000000, 0.0000000000000000, 0.0080629000000000 ] - [ -0.0152363400000000, 0.0000000000000000, 0.0081397800000000 ] - [ -0.0154379400000000, 0.0000977700000000, 0.0080474900000000 ] - [ -0.0153079400000000, 0.0000018600000000, 0.0081616100000000 ] - [ -0.0154379400000000, -0.0000977700000000, 0.0080474900000000 ] - [ -0.0153079400000000, -0.0000018600000000, 0.0081616100000000 ] - [ 0.0152014700000000, -0.0000345800000000, -0.0081211200000000 ] - [ 0.0153944300000000, -0.0000301600000000, -0.0081917200000000 ] - [ 0.0152014700000000, 0.0000345800000000, -0.0081211200000000 ] - [ 0.0153944300000000, 0.0000301600000000, -0.0081917200000000 ] - [ 0.0152489900000000, 0.0000000000000000, -0.0081687400000000 ] - [ 0.0153740000000000, 0.0000000000000000, -0.0082135600000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007676900000000, 0.0000000000000000, 0.0000972100000000 ] - [ -0.0008192500000000, 0.0000000000000000, -0.0001901700000000 ] - [ -0.0007787800000000, 0.0000192700000000, 0.0000808300000000 ] - [ -0.0008541600000000, -0.0000211800000000, 0.0000263100000000 ] - [ -0.0007787800000000, -0.0000192700000000, 0.0000808300000000 ] - [ -0.0008541600000000, 0.0000211800000000, 0.0000263100000000 ] - [ 0.0005024700000000, -0.0000340200000000, 0.0002604100000000 ] - [ 0.0009975800000000, -0.0000485100000000, -0.0001474300000000 ] - [ 0.0005024700000000, 0.0000340200000000, 0.0002604100000000 ] - [ 0.0009975800000000, 0.0000485100000000, -0.0001474300000000 ] - [ 0.0006421900000000, 0.0000000000000000, 0.0000328100000000 ] - [ 0.0009395700000000, 0.0000000000000000, -0.0001005600000000 ] - [ -0.0009790200000000, 0.0000000000000000, 0.0003173400000000 ] - [ -0.0007137900000000, 0.0000000000000000, -0.0000716200000000 ] - [ -0.0008979100000000, 0.0001054400000000, 0.0000853100000000 ] - [ -0.0007441300000000, -0.0000150500000000, -0.0000649200000000 ] - [ -0.0008979100000000, -0.0001054400000000, 0.0000853100000000 ] - [ -0.0007441300000000, 0.0000150500000000, -0.0000649200000000 ] - [ 0.0008637600000000, -0.0003996700000000, -0.0004722400000000 ] - [ 0.0010964500000000, 0.0000582700000000, 0.0001905900000000 ] - [ 0.0008637600000000, 0.0003996700000000, -0.0004722400000000 ] - [ 0.0010964500000000, -0.0000582700000000, 0.0001905900000000 ] - [ 0.0007235500000000, 0.0000000000000000, -0.0000418000000000 ] - [ 0.0009919000000000, 0.0000000000000000, 0.0001322500000000 ] - [ -0.0142435700000000, 0.0000000000000000, -0.0026829900000000 ] - [ -0.0032158700000000, 0.0000000000000000, -0.0002013900000000 ] - [ -0.0041774200000000, 0.0000389800000000, -0.0004399300000000 ] - [ -0.0033097700000000, 0.0000351900000000, -0.0002014400000000 ] - [ -0.0041774200000000, -0.0000389800000000, -0.0004399300000000 ] - [ -0.0033097700000000, -0.0000351900000000, -0.0002014400000000 ] - [ 0.0038340200000000, -0.0003193600000000, 0.0005718100000000 ] - [ 0.0039041700000000, 0.0002277700000000, -0.0000486400000000 ] - [ 0.0038340200000000, 0.0003193600000000, 0.0005718100000000 ] - [ 0.0039041700000000, -0.0002277700000000, -0.0000486400000000 ] - [ 0.0035867600000000, 0.0000000000000000, 0.0003333800000000 ] - [ 0.0035764000000000, 0.0000000000000000, 0.0000841200000000 ] - [ -0.0035449100000000, 0.0000000000000000, 0.0001384800000000 ] - [ -0.0035445200000000, 0.0000000000000000, 0.0003446400000000 ] - [ -0.0035376200000000, 0.0000202900000000, 0.0001980600000000 ] - [ -0.0035373600000000, -0.0000030900000000, 0.0003169900000000 ] - [ -0.0035376200000000, -0.0000202900000000, 0.0001980600000000 ] - [ -0.0035373600000000, 0.0000030900000000, 0.0003169900000000 ] - [ 0.0034682400000000, -0.0000158300000000, -0.0002496400000000 ] - [ 0.0036173500000000, -0.0000045700000000, -0.0002266700000000 ] - [ 0.0034682400000000, 0.0000158300000000, -0.0002496400000000 ] - [ 0.0036173500000000, 0.0000045700000000, -0.0002266700000000 ] - [ 0.0034791100000000, 0.0000000000000000, -0.0002261000000000 ] - [ 0.0036069400000000, 0.0000000000000000, -0.0002241700000000 ] - [ -0.0162994300000000, 0.0000000000000000, 0.0084092100000000 ] - [ -0.0162421400000000, 0.0000000000000000, 0.0086309600000000 ] - [ -0.0164008000000000, 0.0000298400000000, 0.0086265700000000 ] - [ -0.0162575000000000, -0.0000035200000000, 0.0086169800000000 ] - [ -0.0164008000000000, -0.0000298400000000, 0.0086265700000000 ] - [ -0.0162575000000000, 0.0000035200000000, 0.0086169800000000 ] - [ 0.0163099400000000, -0.0000084400000000, -0.0085416900000000 ] - [ 0.0163373600000000, 0.0000030700000000, -0.0086845800000000 ] - [ 0.0163099400000000, 0.0000084400000000, -0.0085416900000000 ] - [ 0.0163373600000000, -0.0000030700000000, -0.0086845800000000 ] - [ 0.0163279400000000, 0.0000000000000000, -0.0085885200000000 ] - [ 0.0163274300000000, 0.0000000000000000, -0.0086352700000000 ] - [ -0.0153114600000000, 0.0000000000000000, -0.0091988700000000 ] - [ -0.0157488200000000, 0.0000000000000000, -0.0082885100000000 ] - [ -0.0163115300000000, 0.0000899300000000, -0.0086985400000000 ] - [ -0.0158944800000000, -0.0005954900000000, -0.0084346000000000 ] - [ -0.0163115300000000, -0.0000899300000000, -0.0086985400000000 ] - [ -0.0158944800000000, 0.0005954900000000, -0.0084346000000000 ] - [ 0.0155012100000000, 0.0004514200000000, 0.0086423800000000 ] - [ 0.0164604700000000, -0.0000382600000000, 0.0086172300000000 ] - [ 0.0155012100000000, -0.0004514200000000, 0.0086423800000000 ] - [ 0.0164604700000000, 0.0000382600000000, 0.0086172300000000 ] - [ 0.0161299300000000, 0.0000000000000000, 0.0086074600000000 ] - [ 0.0164377700000000, 0.0000000000000000, 0.0086247500000000 ] - [ 0.0006940500000000, 0.0000000000000000, -0.0026459600000000 ] - [ 0.0000868500000000, 0.0000000000000000, -0.0019015900000000 ] - [ 0.0004971000000000, -0.0000516100000000, -0.0018836300000000 ] - [ 0.0001239200000000, -0.0000085700000000, -0.0018814900000000 ] - [ 0.0004971000000000, 0.0000516100000000, -0.0018836300000000 ] - [ 0.0001239200000000, 0.0000085700000000, -0.0018814900000000 ] - [ -0.0003058100000000, 0.0000269300000000, 0.0017422800000000 ] - [ -0.0003489400000000, -0.0000450400000000, 0.0019953500000000 ] - [ -0.0003058100000000, -0.0000269300000000, 0.0017422800000000 ] - [ -0.0003489400000000, 0.0000450400000000, 0.0019953500000000 ] - [ -0.0002788900000000, 0.0000000000000000, 0.0018437400000000 ] - [ -0.0002928400000000, 0.0000000000000000, 0.0019134200000000 ] - [ 0.0001082600000000, 0.0000000000000000, 0.0023092500000000 ] - [ 0.0001840000000000, 0.0000000000000000, 0.0015142800000000 ] - [ 0.0002363800000000, -0.0000612900000000, 0.0019859200000000 ] - [ 0.0001851200000000, 0.0001110200000000, 0.0016047500000000 ] - [ 0.0002363800000000, 0.0000612900000000, 0.0019859200000000 ] - [ 0.0001851200000000, -0.0001110200000000, 0.0016047500000000 ] - [ -0.0000365800000000, -0.0000784000000000, -0.0018837000000000 ] - [ -0.0003510800000000, 0.0000082700000000, -0.0019021400000000 ] - [ -0.0000365800000000, 0.0000784000000000, -0.0018837000000000 ] - [ -0.0003510800000000, -0.0000082700000000, -0.0019021400000000 ] - [ -0.0001699200000000, 0.0000000000000000, -0.0018549600000000 ] - [ -0.0003383400000000, 0.0000000000000000, -0.0019035600000000 ] - [ 0.0026985900000000, 0.0000000000000000, -0.0015962000000000 ] - [ 0.0023440000000000, 0.0000000000000000, -0.0016434200000000 ] - [ 0.0025999300000000, -0.0000007500000000, -0.0016942500000000 ] - [ 0.0023876800000000, -0.0000073200000000, -0.0016615300000000 ] - [ 0.0025999300000000, 0.0000007500000000, -0.0016942500000000 ] - [ 0.0023876800000000, 0.0000073200000000, -0.0016615300000000 ] - [ -0.0025204700000000, 0.0000096900000000, 0.0016505300000000 ] - [ -0.0024504600000000, -0.0000115400000000, 0.0016795600000000 ] - [ -0.0025204700000000, -0.0000096900000000, 0.0016505300000000 ] - [ -0.0024504600000000, 0.0000115400000000, 0.0016795600000000 ] - [ -0.0025065500000000, 0.0000000000000000, 0.0016598200000000 ] - [ -0.0024638700000000, 0.0000000000000000, 0.0016581300000000 ] - [ 0.0037348500000000, 0.0000000000000000, 0.0016796400000000 ] - [ 0.0020810500000000, 0.0000000000000000, 0.0016927700000000 ] - [ 0.0024503000000000, -0.0001983200000000, 0.0017007100000000 ] - [ 0.0022066700000000, 0.0001227400000000, 0.0017089000000000 ] - [ 0.0024503000000000, 0.0001983200000000, 0.0017007100000000 ] - [ 0.0022066700000000, -0.0001227400000000, 0.0017089000000000 ] - [ -0.0007160700000000, -0.0019890400000000, 0.0000215100000000 ] - [ -0.0026872000000000, -0.0000051800000000, -0.0016279500000000 ] - [ -0.0007160700000000, 0.0019890400000000, 0.0000215100000000 ] - [ -0.0026872000000000, 0.0000051800000000, -0.0016279500000000 ] - [ -0.0022819200000000, 0.0000000000000000, -0.0016594800000000 ] - [ -0.0026355400000000, 0.0000000000000000, -0.0016340100000000 ] - [ -0.0133189000000000, 0.0000000000000000, -0.0097121500000000 ] - [ -0.0155151800000000, 0.0000000000000000, -0.0083248800000000 ] - [ -0.0150633100000000, 0.0000570600000000, -0.0081154300000000 ] - [ -0.0154413900000000, -0.0000369400000000, -0.0082804600000000 ] - [ -0.0150633100000000, -0.0000570600000000, -0.0081154300000000 ] - [ -0.0154413900000000, 0.0000369400000000, -0.0082804600000000 ] - [ 0.0149582800000000, 0.0003078500000000, 0.0082508500000000 ] - [ 0.0170864500000000, 0.0012842100000000, 0.0089807500000000 ] - [ 0.0149582800000000, -0.0003078500000000, 0.0082508500000000 ] - [ 0.0170864500000000, -0.0012842100000000, 0.0089807500000000 ] - [ 0.0152115100000000, 0.0000000000000000, 0.0082267200000000 ] - [ 0.0153821400000000, 0.0000000000000000, 0.0082462800000000 ] - [ -0.0152770800000000, 0.0000000000000000, 0.0081957500000000 ] - [ -0.0153614300000000, 0.0000000000000000, 0.0082451200000000 ] - [ -0.0152797000000000, -0.0000155800000000, 0.0082019500000000 ] - [ -0.0153558500000000, 0.0000151500000000, 0.0082403300000000 ] - [ -0.0152797000000000, 0.0000155800000000, 0.0082019500000000 ] - [ -0.0153558500000000, -0.0000151500000000, 0.0082403300000000 ] - [ 0.0153880700000000, 0.0000494000000000, -0.0081753900000000 ] - [ 0.0152248800000000, -0.0000025600000000, -0.0082504100000000 ] - [ 0.0153880700000000, -0.0000494000000000, -0.0081753900000000 ] - [ 0.0152248800000000, 0.0000025600000000, -0.0082504100000000 ] - [ 0.0153843800000000, 0.0000000000000000, -0.0082289500000000 ] - [ 0.0152328500000000, 0.0000000000000000, -0.0082427200000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0008793400000000, 0.0000000000000000, 0.0000195900000000 ] - [ -0.0008274400000000, 0.0000000000000000, 0.0003062900000000 ] - [ -0.0008681200000000, -0.0000193400000000, 0.0000358200000000 ] - [ -0.0007923700000000, 0.0000211300000000, 0.0000902900000000 ] - [ -0.0008681200000000, 0.0000193400000000, 0.0000358200000000 ] - [ -0.0007923700000000, -0.0000211300000000, 0.0000902900000000 ] - [ 0.0011455600000000, 0.0000344100000000, -0.0003773300000000 ] - [ 0.0006492800000000, 0.0000482700000000, 0.0000305600000000 ] - [ 0.0011455600000000, -0.0000344100000000, -0.0003773300000000 ] - [ 0.0006492800000000, -0.0000482700000000, 0.0000305600000000 ] - [ 0.0010044900000000, 0.0000000000000000, -0.0001494100000000 ] - [ 0.0007071300000000, 0.0000000000000000, -0.0000161400000000 ] - [ -0.0006682200000000, 0.0000000000000000, -0.0004342300000000 ] - [ -0.0009325900000000, 0.0000000000000000, -0.0000447200000000 ] - [ -0.0007486500000000, -0.0001061000000000, -0.0002028100000000 ] - [ -0.0009023700000000, 0.0000151200000000, -0.0000515000000000 ] - [ -0.0007486500000000, 0.0001061000000000, -0.0002028100000000 ] - [ -0.0009023700000000, -0.0000151200000000, -0.0000515000000000 ] - [ 0.0007818000000000, 0.0003980300000000, 0.0005855800000000 ] - [ 0.0005501500000000, -0.0000590700000000, -0.0000741900000000 ] - [ 0.0007818000000000, -0.0003980300000000, 0.0005855800000000 ] - [ 0.0005501500000000, 0.0000590700000000, -0.0000741900000000 ] - [ 0.0009226800000000, 0.0000000000000000, 0.0001580900000000 ] - [ 0.0006550300000000, 0.0000000000000000, -0.0000155000000000 ] - [ 0.0071983700000000, 0.0000000000000000, 0.0021845500000000 ] - [ -0.0038724400000000, 0.0000000000000000, -0.0002657500000000 ] - [ -0.0029103400000000, -0.0000420100000000, -0.0000268500000000 ] - [ -0.0037781100000000, -0.0000349700000000, -0.0002657600000000 ] - [ -0.0029103400000000, 0.0000420100000000, -0.0000268500000000 ] - [ -0.0037781100000000, 0.0000349700000000, -0.0002657600000000 ] - [ 0.0032549500000000, 0.0003173400000000, -0.0001021700000000 ] - [ 0.0031825500000000, -0.0002292200000000, 0.0005175400000000 ] - [ 0.0032549500000000, -0.0003173400000000, -0.0001021700000000 ] - [ 0.0031825500000000, 0.0002292200000000, 0.0005175400000000 ] - [ 0.0035012700000000, 0.0000000000000000, 0.0001345400000000 ] - [ 0.0035120200000000, 0.0000000000000000, 0.0003832100000000 ] - [ -0.0035439400000000, 0.0000000000000000, 0.0003285400000000 ] - [ -0.0035435200000000, 0.0000000000000000, 0.0001222700000000 ] - [ -0.0035510400000000, -0.0000203900000000, 0.0002691900000000 ] - [ -0.0035507800000000, 0.0000031300000000, 0.0001503800000000 ] - [ -0.0035510400000000, 0.0000203900000000, 0.0002691900000000 ] - [ -0.0035507800000000, -0.0000031300000000, 0.0001503800000000 ] - [ 0.0036201400000000, 0.0000160100000000, -0.0002176700000000 ] - [ 0.0034710000000000, 0.0000045200000000, -0.0002408600000000 ] - [ 0.0036201400000000, -0.0000160100000000, -0.0002176700000000 ] - [ 0.0034710000000000, -0.0000045200000000, -0.0002408600000000 ] - [ 0.0036092600000000, 0.0000000000000000, -0.0002413300000000 ] - [ 0.0034814300000000, 0.0000000000000000, -0.0002432900000000 ] - [ -0.0163472200000000, 0.0000000000000000, 0.0088336400000000 ] - [ -0.0164040600000000, 0.0000000000000000, 0.0086074000000000 ] - [ -0.0162451600000000, -0.0000299600000000, 0.0086120900000000 ] - [ -0.0163887000000000, 0.0000037100000000, 0.0086215500000000 ] - [ -0.0162451600000000, 0.0000299600000000, 0.0086120900000000 ] - [ -0.0163887000000000, -0.0000037100000000, 0.0086215500000000 ] - [ 0.0163362600000000, 0.0000086100000000, -0.0086971200000000 ] - [ 0.0163089400000000, -0.0000030900000000, -0.0085541300000000 ] - [ 0.0163362600000000, -0.0000086100000000, -0.0086971200000000 ] - [ 0.0163089400000000, 0.0000030900000000, -0.0085541300000000 ] - [ 0.0163182600000000, 0.0000000000000000, -0.0086502100000000 ] - [ 0.0163188300000000, 0.0000000000000000, -0.0086033100000000 ] - [ -0.0173312600000000, 0.0000000000000000, -0.0080403400000000 ] - [ -0.0169054500000000, 0.0000000000000000, -0.0089562000000000 ] - [ -0.0163336900000000, -0.0000895300000000, -0.0085403700000000 ] - [ -0.0167497600000000, 0.0005932800000000, -0.0088033600000000 ] - [ -0.0163336900000000, 0.0000895300000000, -0.0085403700000000 ] - [ -0.0167497600000000, -0.0005932800000000, -0.0088033600000000 ] - [ 0.0171452700000000, -0.0004518400000000, 0.0085957700000000 ] - [ 0.0161846600000000, 0.0000380200000000, 0.0086217100000000 ] - [ 0.0171452700000000, 0.0004518400000000, 0.0085957700000000 ] - [ 0.0161846600000000, -0.0000380200000000, 0.0086217100000000 ] - [ 0.0165153200000000, 0.0000000000000000, 0.0086313300000000 ] - [ 0.0162073600000000, 0.0000000000000000, 0.0086140000000000 ] - [ -0.0001533300000000, 0.0000000000000000, -0.0011177700000000 ] - [ 0.0004582100000000, 0.0000000000000000, -0.0018637400000000 ] - [ 0.0000481000000000, 0.0000516700000000, -0.0018820500000000 ] - [ 0.0004210000000000, 0.0000082700000000, -0.0018841100000000 ] - [ 0.0000481000000000, -0.0000516700000000, -0.0018820500000000 ] - [ 0.0004210000000000, -0.0000082700000000, -0.0018841100000000 ] - [ -0.0002385100000000, -0.0000269300000000, 0.0020236900000000 ] - [ -0.0001963600000000, 0.0000447900000000, 0.0017702100000000 ] - [ -0.0002385100000000, 0.0000269300000000, 0.0020236900000000 ] - [ -0.0001963600000000, -0.0000447900000000, 0.0017702100000000 ] - [ -0.0002658900000000, 0.0000000000000000, 0.0019222100000000 ] - [ -0.0002523800000000, 0.0000000000000000, 0.0018521900000000 ] - [ 0.0004365000000000, 0.0000000000000000, 0.0014589500000000 ] - [ 0.0003609100000000, 0.0000000000000000, 0.0022524500000000 ] - [ 0.0003088300000000, 0.0000609600000000, 0.0017801200000000 ] - [ 0.0003595400000000, -0.0001108900000000, 0.0021601200000000 ] - [ 0.0003088300000000, -0.0000609600000000, 0.0017801200000000 ] - [ 0.0003595400000000, 0.0001108900000000, 0.0021601200000000 ] - [ -0.0005089200000000, 0.0000784800000000, -0.0018823300000000 ] - [ -0.0001941200000000, -0.0000083600000000, -0.0018636900000000 ] - [ -0.0005089200000000, -0.0000784800000000, -0.0018823300000000 ] - [ -0.0001941200000000, 0.0000083600000000, -0.0018636900000000 ] - [ -0.0003754500000000, 0.0000000000000000, -0.0019108700000000 ] - [ -0.0002068800000000, 0.0000000000000000, -0.0018623400000000 ] - [ 0.0022646200000000, 0.0000000000000000, -0.0017426600000000 ] - [ 0.0026200700000000, 0.0000000000000000, -0.0016942900000000 ] - [ 0.0023641700000000, 0.0000007600000000, -0.0016438200000000 ] - [ 0.0025766200000000, 0.0000072000000000, -0.0016763800000000 ] - [ 0.0023641700000000, -0.0000007600000000, -0.0016438200000000 ] - [ 0.0025766200000000, -0.0000072000000000, -0.0016763800000000 ] - [ -0.0024434700000000, -0.0000097200000000, 0.0016876300000000 ] - [ -0.0025138600000000, 0.0000114800000000, 0.0016586800000000 ] - [ -0.0024434700000000, 0.0000097200000000, 0.0016876300000000 ] - [ -0.0025138600000000, -0.0000114800000000, 0.0016586800000000 ] - [ -0.0024574800000000, 0.0000000000000000, 0.0016782100000000 ] - [ -0.0025004300000000, 0.0000000000000000, 0.0016800400000000 ] - [ 0.0013382400000000, 0.0000000000000000, 0.0016407900000000 ] - [ 0.0028834700000000, 0.0000000000000000, 0.0016458600000000 ] - [ 0.0025141000000000, 0.0001972400000000, 0.0016373000000000 ] - [ 0.0027559300000000, -0.0001225300000000, 0.0016296100000000 ] - [ 0.0025141000000000, -0.0001972400000000, 0.0016373000000000 ] - [ 0.0027559300000000, 0.0001225300000000, 0.0016296100000000 ] - [ -0.0042471700000000, 0.0019630400000000, -0.0033348500000000 ] - [ -0.0022768500000000, 0.0000052800000000, -0.0017105700000000 ] - [ -0.0042471700000000, -0.0019630400000000, -0.0033348500000000 ] - [ -0.0022768500000000, -0.0000052800000000, -0.0017105700000000 ] - [ -0.0026822700000000, 0.0000000000000000, -0.0016787900000000 ] - [ -0.0023289500000000, 0.0000000000000000, -0.0017041800000000 ] - [ -0.0173588500000000, 0.0000000000000000, -0.0066868800000000 ] - [ -0.0151221000000000, 0.0000000000000000, -0.0081345700000000 ] - [ -0.0155736300000000, -0.0000574300000000, -0.0083435200000000 ] - [ -0.0151954500000000, 0.0000366800000000, -0.0081784800000000 ] - [ -0.0155736300000000, 0.0000574300000000, -0.0083435200000000 ] - [ -0.0151954500000000, -0.0000366800000000, -0.0081784800000000 ] - [ 0.0156781300000000, -0.0003072800000000, 0.0082079500000000 ] - [ 0.0134999700000000, -0.0013411400000000, 0.0074484000000000 ] - [ 0.0156781300000000, 0.0003072800000000, 0.0082079500000000 ] - [ 0.0134999700000000, 0.0013411400000000, 0.0074484000000000 ] - [ 0.0154252700000000, 0.0000000000000000, 0.0082321400000000 ] - [ 0.0152538900000000, 0.0000000000000000, 0.0082121100000000 ] - [ -0.0153595200000000, 0.0000000000000000, 0.0082631100000000 ] - [ -0.0152755600000000, 0.0000000000000000, 0.0082136900000000 ] - [ -0.0153568700000000, 0.0000157000000000, 0.0082568800000000 ] - [ -0.0152812000000000, -0.0000151900000000, 0.0082184700000000 ] - [ -0.0153568700000000, -0.0000157000000000, 0.0082568800000000 ] - [ -0.0152812000000000, 0.0000151900000000, 0.0082184700000000 ] - [ 0.0152495100000000, -0.0000504800000000, -0.0082839200000000 ] - [ 0.0154118800000000, 0.0000026400000000, -0.0082081300000000 ] - [ 0.0152495100000000, 0.0000504800000000, -0.0082839200000000 ] - [ 0.0154118800000000, -0.0000026400000000, -0.0082081300000000 ] - [ 0.0152525800000000, 0.0000000000000000, -0.0082298000000000 ] - [ 0.0154037600000000, 0.0000000000000000, -0.0082160200000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008229600000000, -0.0000717500000000, 0.0000591200000000 ] - [ -0.0008230000000000, -0.0000974500000000, 0.0000589900000000 ] - [ -0.0007993000000000, 0.0000358500000000, 0.0000710700000000 ] - [ -0.0008742700000000, 0.0000540900000000, 0.0001211300000000 ] - [ -0.0008466100000000, 0.0000359300000000, 0.0000472200000000 ] - [ -0.0007718000000000, 0.0000541800000000, -0.0000024700000000 ] - [ 0.0008026100000000, -0.0000709600000000, 0.0002584200000000 ] - [ 0.0008173200000000, -0.0000156400000000, -0.0000532400000000 ] - [ 0.0008437200000000, -0.0000720700000000, -0.0003774000000000 ] - [ 0.0008284300000000, -0.0000158400000000, -0.0000649600000000 ] - [ 0.0008226200000000, 0.0001654300000000, -0.0000593000000000 ] - [ 0.0008229900000000, 0.0000319400000000, -0.0000591800000000 ] - [ -0.0008229900000000, -0.0005798800000000, -0.0000594400000000 ] - [ -0.0008229900000000, -0.0000273100000000, -0.0000591400000000 ] - [ -0.0007726300000000, 0.0002781000000000, 0.0001597200000000 ] - [ -0.0008294300000000, 0.0000135100000000, -0.0000528400000000 ] - [ -0.0008726100000000, 0.0002785800000000, -0.0002782200000000 ] - [ -0.0008166100000000, 0.0000135700000000, -0.0000654600000000 ] - [ 0.0005548200000000, -0.0000305300000000, 0.0003286800000000 ] - [ 0.0009446900000000, -0.0000633200000000, 0.0001204700000000 ] - [ 0.0010918100000000, -0.0000326500000000, -0.0002113900000000 ] - [ 0.0007011400000000, -0.0000630400000000, -0.0000022300000000 ] - [ 0.0008232300000000, 0.0001651700000000, 0.0000589600000000 ] - [ 0.0008229900000000, 0.0001234300000000, 0.0000591600000000 ] - [ -0.0035451400000000, -0.0134118600000000, -0.0003071700000000 ] - [ -0.0035433600000000, -0.0000193600000000, -0.0002338000000000 ] - [ -0.0035838700000000, 0.0015070200000000, -0.0002426900000000 ] - [ -0.0035782300000000, 0.0000098200000000, -0.0002284100000000 ] - [ -0.0035028700000000, 0.0014924600000000, -0.0002241300000000 ] - [ -0.0035080700000000, 0.0000099300000000, -0.0002392000000000 ] - [ 0.0032249200000000, -0.0000607300000000, 0.0002832200000000 ] - [ 0.0037713200000000, -0.0000781500000000, 0.0000215900000000 ] - [ 0.0038615800000000, -0.0000615000000000, 0.0001842100000000 ] - [ 0.0033143200000000, -0.0000783800000000, 0.0004463100000000 ] - [ 0.0035433900000000, 0.0001256000000000, 0.0002340300000000 ] - [ 0.0035428500000000, 0.0001723300000000, 0.0002336000000000 ] - [ -0.0035432800000000, -0.0000254600000000, 0.0002339400000000 ] - [ -0.0035431300000000, -0.0000254700000000, 0.0002337600000000 ] - [ -0.0035401200000000, 0.0000125100000000, 0.0002316100000000 ] - [ -0.0035635800000000, 0.0000126100000000, 0.0001981200000000 ] - [ -0.0035463300000000, 0.0000127200000000, 0.0002359400000000 ] - [ -0.0035228900000000, 0.0000126100000000, 0.0002696100000000 ] - [ 0.0035273400000000, -0.0000233700000000, -0.0002780200000000 ] - [ 0.0035386200000000, -0.0000052700000000, -0.0002342800000000 ] - [ 0.0035591700000000, -0.0000235900000000, -0.0001892200000000 ] - [ 0.0035477200000000, -0.0000053100000000, -0.0002332900000000 ] - [ 0.0035432300000000, 0.0000494500000000, -0.0002337900000000 ] - [ 0.0035431800000000, 0.0000103200000000, -0.0002337900000000 ] - [ -0.0163232600000000, 0.0000367200000000, 0.0086225300000000 ] - [ -0.0163229600000000, -0.0000165800000000, 0.0086204900000000 ] - [ -0.0162714800000000, 0.0000052700000000, 0.0084793300000000 ] - [ -0.0163160700000000, 0.0000097400000000, 0.0086074500000000 ] - [ -0.0163739500000000, 0.0000058000000000, 0.0087605100000000 ] - [ -0.0163298100000000, 0.0000096900000000, 0.0086334900000000 ] - [ 0.0163485800000000, -0.0000224400000000, -0.0087068600000000 ] - [ 0.0163466600000000, -0.0000057800000000, -0.0086307000000000 ] - [ 0.0162973000000000, -0.0000225200000000, -0.0085341600000000 ] - [ 0.0162992400000000, -0.0000057700000000, -0.0086101200000000 ] - [ 0.0163229100000000, 0.0000405500000000, -0.0086204500000000 ] - [ 0.0163228800000000, 0.0000084700000000, -0.0086203900000000 ] - [ -0.0163236400000000, 0.0000251800000000, -0.0086196900000000 ] - [ -0.0163225100000000, -0.0011096600000000, -0.0086206200000000 ] - [ -0.0161857100000000, 0.0000020100000000, -0.0086723300000000 ] - [ -0.0165064200000000, 0.0006076900000000, -0.0087099800000000 ] - [ -0.0164582600000000, 0.0000023400000000, -0.0085690000000000 ] - [ -0.0161372400000000, 0.0006109200000000, -0.0085304400000000 ] - [ 0.0170129500000000, -0.0001457500000000, 0.0082173000000000 ] - [ 0.0163363700000000, -0.0000150700000000, 0.0086194000000000 ] - [ 0.0156302300000000, -0.0001460500000000, 0.0090269000000000 ] - [ 0.0163082900000000, -0.0000151300000000, 0.0086215900000000 ] - [ 0.0163224700000000, 0.0002586500000000, 0.0086206200000000 ] - [ 0.0163224000000000, 0.0000330700000000, 0.0086204700000000 ] - [ 0.0002715300000000, 0.0001779100000000, -0.0018744200000000 ] - [ 0.0002728100000000, 0.0000234000000000, -0.0018801700000000 ] - [ 0.0002070300000000, -0.0001786000000000, -0.0016014300000000 ] - [ 0.0002872600000000, -0.0000117600000000, -0.0018626900000000 ] - [ 0.0003380900000000, -0.0001779400000000, -0.0021566400000000 ] - [ 0.0002582300000000, -0.0000117700000000, -0.0018977400000000 ] - [ -0.0001584900000000, 0.0000365400000000, 0.0020557100000000 ] - [ -0.0002900400000000, 0.0000252100000000, 0.0019055200000000 ] - [ -0.0003868000000000, 0.0000363400000000, 0.0017050300000000 ] - [ -0.0002553400000000, 0.0000253600000000, 0.0018548600000000 ] - [ -0.0002727500000000, -0.0000762000000000, 0.0018801100000000 ] - [ -0.0002726200000000, -0.0000433100000000, 0.0018800800000000 ] - [ 0.0002730000000000, 0.0000347200000000, 0.0018798800000000 ] - [ 0.0002729600000000, 0.0002462200000000, 0.0018809800000000 ] - [ 0.0002414100000000, -0.0000197000000000, 0.0019228400000000 ] - [ 0.0003556800000000, -0.0001320600000000, 0.0020658200000000 ] - [ 0.0003039900000000, -0.0000199700000000, 0.0018377500000000 ] - [ 0.0001896300000000, -0.0001326100000000, 0.0016939100000000 ] - [ -0.0003651400000000, 0.0000710500000000, -0.0016056900000000 ] - [ -0.0002677400000000, 0.0000082500000000, -0.0018774900000000 ] - [ -0.0001803200000000, 0.0000712300000000, -0.0021554500000000 ] - [ -0.0002777600000000, 0.0000083400000000, -0.0018830500000000 ] - [ -0.0002729300000000, -0.0001212900000000, -0.0018804800000000 ] - [ -0.0002727600000000, -0.0000168100000000, -0.0018802100000000 ] - [ 0.0024782500000000, 0.0000497500000000, -0.0016713400000000 ] - [ 0.0024787200000000, 0.0000125300000000, -0.0016708100000000 ] - [ 0.0024793300000000, -0.0000258400000000, -0.0016180000000000 ] - [ 0.0024706600000000, -0.0000057700000000, -0.0016647500000000 ] - [ 0.0024781100000000, -0.0000260500000000, -0.0017232700000000 ] - [ 0.0024866200000000, -0.0000058000000000, -0.0016768200000000 ] - [ -0.0024583200000000, 0.0000098900000000, 0.0017056500000000 ] - [ -0.0025150300000000, 0.0000153000000000, 0.0016894600000000 ] - [ -0.0024988900000000, 0.0000099700000000, 0.0016359300000000 ] - [ -0.0024421400000000, 0.0000152300000000, 0.0016519100000000 ] - [ -0.0024786500000000, -0.0000198100000000, 0.0016707700000000 ] - [ -0.0024785700000000, -0.0000320600000000, 0.0016707400000000 ] - [ 0.0024761200000000, 0.0002845300000000, 0.0016711700000000 ] - [ 0.0024795100000000, 0.0002589700000000, 0.0016706000000000 ] - [ 0.0022404800000000, -0.0001422700000000, 0.0017370900000000 ] - [ 0.0026841400000000, -0.0001372900000000, 0.0016282600000000 ] - [ 0.0027150700000000, -0.0001419500000000, 0.0016046600000000 ] - [ 0.0022725300000000, -0.0001378200000000, 0.0017136300000000 ] - [ -0.0045853400000000, 0.0035323300000000, -0.0043860100000000 ] - [ -0.0025032700000000, 0.0000172300000000, -0.0016651200000000 ] - [ -0.0003121100000000, 0.0036100800000000, 0.0011397300000000 ] - [ -0.0024540800000000, 0.0000172200000000, -0.0016763900000000 ] - [ -0.0024791500000000, -0.0003492100000000, -0.0016715200000000 ] - [ -0.0024787100000000, -0.0000347900000000, -0.0016707200000000 ] - [ -0.0153152600000000, 0.0007088400000000, -0.0082352400000000 ] - [ -0.0153204800000000, 0.0000571600000000, -0.0082301900000000 ] - [ -0.0151770900000000, -0.0002652300000000, -0.0083386300000000 ] - [ -0.0153454400000000, -0.0000283600000000, -0.0082396900000000 ] - [ -0.0154634900000000, -0.0002648900000000, -0.0081226600000000 ] - [ -0.0152956800000000, -0.0000284300000000, -0.0082208200000000 ] - [ 0.0153097700000000, 0.0000800600000000, 0.0082128100000000 ] - [ 0.0166804600000000, 0.0018113800000000, 0.0088822800000000 ] - [ 0.0153318800000000, 0.0000811200000000, 0.0082477000000000 ] - [ 0.0139028600000000, 0.0018590400000000, 0.0075510500000000 ] - [ 0.0153202900000000, -0.0001058900000000, 0.0082303000000000 ] - [ 0.0153209800000000, -0.0004242800000000, 0.0082304300000000 ] - [ -0.0153206400000000, 0.0000749000000000, 0.0082301700000000 ] - [ -0.0153205600000000, 0.0000311800000000, 0.0082302100000000 ] - [ -0.0153319900000000, -0.0000358500000000, 0.0081995800000000 ] - [ -0.0153155200000000, -0.0000142200000000, 0.0082324700000000 ] - [ -0.0153092300000000, -0.0000359900000000, 0.0082608900000000 ] - [ -0.0153256300000000, -0.0000142200000000, 0.0082279500000000 ] - [ 0.0153081200000000, 0.0000782400000000, -0.0082243400000000 ] - [ 0.0153129200000000, 0.0000173200000000, -0.0082360200000000 ] - [ 0.0153333000000000, 0.0000794900000000, -0.0082366900000000 ] - [ 0.0153283100000000, 0.0000173200000000, -0.0082244500000000 ] - [ 0.0153204100000000, -0.0001100300000000, -0.0082299400000000 ] - [ 0.0153205700000000, -0.0000352200000000, -0.0082302400000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0007488100000000, 0.0000000000000000, 0.0001071500000000 ] - [ -0.0010285300000000, 0.0000000000000000, 0.0004745300000000 ] - [ -0.0007672400000000, 0.0000233500000000, 0.0001001100000000 ] - [ -0.0009476000000000, 0.0000763500000000, 0.0001972000000000 ] - [ -0.0007672400000000, -0.0000233500000000, 0.0001001100000000 ] - [ -0.0009476000000000, -0.0000763500000000, 0.0001972000000000 ] - [ 0.0011586900000000, 0.0003953300000000, 0.0002817700000000 ] - [ 0.0007907400000000, 0.0000217700000000, -0.0000421500000000 ] - [ 0.0011586900000000, -0.0003953300000000, 0.0002817700000000 ] - [ 0.0007907400000000, -0.0000217700000000, -0.0000421500000000 ] - [ 0.0008759800000000, 0.0000000000000000, -0.0000174400000000 ] - [ 0.0008078700000000, 0.0000000000000000, -0.0000515300000000 ] - [ -0.0004374700000000, 0.0000000000000000, 0.0007214600000000 ] - [ -0.0009029000000000, 0.0000000000000000, -0.0000740500000000 ] - [ -0.0006874300000000, 0.0002315700000000, 0.0002092900000000 ] - [ -0.0008773300000000, 0.0000187500000000, -0.0000796500000000 ] - [ -0.0006874300000000, -0.0002315700000000, 0.0002092900000000 ] - [ -0.0008773300000000, -0.0000187500000000, -0.0000796500000000 ] - [ 0.0002302600000000, 0.0004144400000000, 0.0000796200000000 ] - [ 0.0009598600000000, 0.0000379800000000, 0.0000686400000000 ] - [ 0.0002302600000000, -0.0004144400000000, 0.0000796200000000 ] - [ 0.0009598600000000, -0.0000379800000000, 0.0000686400000000 ] - [ 0.0007022800000000, 0.0000000000000000, -0.0000427200000000 ] - [ 0.0008951600000000, 0.0000000000000000, 0.0000555500000000 ] - [ -0.0060071100000000, 0.0000000000000000, -0.0151658300000000 ] - [ -0.0035137400000000, 0.0000000000000000, -0.0003129100000000 ] - [ -0.0037525300000000, 0.0000077600000000, -0.0009559600000000 ] - [ -0.0035137300000000, -0.0000054300000000, -0.0003058400000000 ] - [ -0.0037525300000000, -0.0000077600000000, -0.0009559600000000 ] - [ -0.0035137300000000, 0.0000054300000000, -0.0003058400000000 ] - [ 0.0038827400000000, 0.0000496200000000, 0.0000109900000000 ] - [ 0.0032626600000000, -0.0002125200000000, -0.0002317700000000 ] - [ 0.0038827400000000, -0.0000496200000000, 0.0000109900000000 ] - [ 0.0032626600000000, 0.0002125200000000, -0.0002317700000000 ] - [ 0.0036451700000000, 0.0000000000000000, 0.0001424900000000 ] - [ 0.0033961600000000, 0.0000000000000000, 0.0000034100000000 ] - [ -0.0036568800000000, 0.0000000000000000, 0.0004168800000000 ] - [ -0.0034508800000000, 0.0000000000000000, 0.0004168800000000 ] - [ -0.0036290200000000, -0.0000357400000000, 0.0003670600000000 ] - [ -0.0035103300000000, -0.0000021500000000, 0.0003671800000000 ] - [ -0.0036290200000000, 0.0000357400000000, 0.0003670600000000 ] - [ -0.0035103300000000, 0.0000021500000000, 0.0003671800000000 ] - [ 0.0035618600000000, 0.0000443900000000, 0.0001342200000000 ] - [ 0.0035387500000000, 0.0000005000000000, -0.0001599000000000 ] - [ 0.0035618600000000, -0.0000443900000000, 0.0001342200000000 ] - [ 0.0035387500000000, -0.0000005000000000, -0.0001599000000000 ] - [ 0.0035382500000000, 0.0000000000000000, -0.0000202700000000 ] - [ 0.0035363100000000, 0.0000000000000000, -0.0001664400000000 ] - [ -0.0164882700000000, 0.0000000000000000, 0.0097528300000000 ] - [ -0.0163100200000000, 0.0000000000000000, 0.0086409200000000 ] - [ -0.0162566700000000, -0.0000896000000000, 0.0086911400000000 ] - [ -0.0163063400000000, -0.0000069300000000, 0.0086354400000000 ] - [ -0.0162566700000000, 0.0000896000000000, 0.0086911400000000 ] - [ -0.0163063400000000, 0.0000069300000000, 0.0086354400000000 ] - [ 0.0163366100000000, -0.0000101500000000, -0.0084856200000000 ] - [ 0.0163252700000000, -0.0000029800000000, -0.0085072900000000 ] - [ 0.0163366100000000, 0.0000101500000000, -0.0084856200000000 ] - [ 0.0163252700000000, 0.0000029800000000, -0.0085072900000000 ] - [ 0.0163477300000000, 0.0000000000000000, -0.0085540900000000 ] - [ 0.0163360800000000, 0.0000000000000000, -0.0085575600000000 ] - [ -0.0163646400000000, 0.0000000000000000, -0.0086246000000000 ] - [ -0.0159575600000000, 0.0000000000000000, -0.0086270000000000 ] - [ -0.0162545500000000, -0.0000245700000000, -0.0086951100000000 ] - [ -0.0161174000000000, -0.0003402900000000, -0.0085257100000000 ] - [ -0.0162545500000000, 0.0000245700000000, -0.0086951100000000 ] - [ -0.0161174000000000, 0.0003402900000000, -0.0085257100000000 ] - [ 0.0161479500000000, -0.0005314900000000, 0.0091225400000000 ] - [ 0.0163462900000000, -0.0000013000000000, 0.0086050100000000 ] - [ 0.0161479500000000, 0.0005314900000000, 0.0091225400000000 ] - [ 0.0163462900000000, 0.0000013000000000, 0.0086050100000000 ] - [ 0.0164325700000000, 0.0000000000000000, 0.0087058900000000 ] - [ 0.0163531300000000, 0.0000000000000000, 0.0086074500000000 ] - [ -0.0004509000000000, 0.0000000000000000, 0.0020518500000000 ] - [ 0.0002482500000000, 0.0000000000000000, -0.0018920200000000 ] - [ 0.0003140600000000, 0.0002414700000000, -0.0019232800000000 ] - [ 0.0002491200000000, 0.0000084600000000, -0.0018926900000000 ] - [ 0.0003140600000000, -0.0002414700000000, -0.0019232800000000 ] - [ 0.0002491200000000, -0.0000084600000000, -0.0018926900000000 ] - [ -0.0004345100000000, 0.0000354200000000, 0.0016904900000000 ] - [ -0.0001171800000000, 0.0000658100000000, 0.0017508500000000 ] - [ -0.0004345100000000, -0.0000354200000000, 0.0016904900000000 ] - [ -0.0001171800000000, -0.0000658100000000, 0.0017508500000000 ] - [ -0.0003504400000000, 0.0000000000000000, 0.0018018400000000 ] - [ -0.0001928800000000, 0.0000000000000000, 0.0018212400000000 ] - [ 0.0004340900000000, 0.0000000000000000, 0.0019503400000000 ] - [ 0.0000678200000000, 0.0000000000000000, 0.0018076300000000 ] - [ 0.0003414900000000, 0.0000504600000000, 0.0019390200000000 ] - [ 0.0001750500000000, 0.0000809300000000, 0.0018464300000000 ] - [ 0.0003414900000000, -0.0000504600000000, 0.0019390200000000 ] - [ 0.0001750500000000, -0.0000809300000000, 0.0018464300000000 ] - [ -0.0002708900000000, 0.0001264800000000, -0.0023452200000000 ] - [ -0.0002748600000000, 0.0000036800000000, -0.0018811900000000 ] - [ -0.0002708900000000, -0.0001264800000000, -0.0023452200000000 ] - [ -0.0002748600000000, -0.0000036800000000, -0.0018811900000000 ] - [ -0.0002607400000000, 0.0000000000000000, -0.0020017000000000 ] - [ -0.0002758100000000, 0.0000000000000000, -0.0018816300000000 ] - [ 0.0022793600000000, 0.0000000000000000, -0.0021488000000000 ] - [ 0.0024851100000000, 0.0000000000000000, -0.0017316800000000 ] - [ 0.0024383600000000, 0.0000513800000000, -0.0018243300000000 ] - [ 0.0024740700000000, 0.0000025800000000, -0.0017213000000000 ] - [ 0.0024383600000000, -0.0000513800000000, -0.0018243300000000 ] - [ 0.0024740700000000, -0.0000025800000000, -0.0017213000000000 ] - [ -0.0025148300000000, 0.0000013300000000, 0.0015426300000000 ] - [ -0.0024672100000000, 0.0000001200000000, 0.0014798100000000 ] - [ -0.0025148300000000, -0.0000013300000000, 0.0015426300000000 ] - [ -0.0024672100000000, -0.0000001200000000, 0.0014798100000000 ] - [ -0.0025062500000000, 0.0000000000000000, 0.0015759100000000 ] - [ -0.0024814800000000, 0.0000000000000000, 0.0015466800000000 ] - [ 0.0024188600000000, 0.0000000000000000, 0.0021256500000000 ] - [ 0.0023258800000000, 0.0000000000000000, 0.0018988100000000 ] - [ 0.0024189500000000, 0.0000262900000000, 0.0019109500000000 ] - [ 0.0023146200000000, 0.0000645400000000, 0.0018275700000000 ] - [ 0.0024189500000000, -0.0000262900000000, 0.0019109500000000 ] - [ 0.0023146200000000, -0.0000645400000000, 0.0018275700000000 ] - [ -0.0006386500000000, -0.0029377700000000, 0.0012742400000000 ] - [ -0.0024790000000000, 0.0000000300000000, -0.0015913100000000 ] - [ -0.0006386500000000, 0.0029377700000000, 0.0012742400000000 ] - [ -0.0024790000000000, -0.0000000300000000, -0.0015913100000000 ] - [ -0.0025068700000000, 0.0000000000000000, -0.0015507000000000 ] - [ -0.0024973100000000, 0.0000000000000000, -0.0015969200000000 ] - [ -0.0168698600000000, 0.0000000000000000, -0.0060273600000000 ] - [ -0.0153560600000000, 0.0000000000000000, -0.0081881700000000 ] - [ -0.0151422400000000, -0.0002744400000000, -0.0081318200000000 ] - [ -0.0153575400000000, -0.0000094200000000, -0.0082008500000000 ] - [ -0.0151422400000000, 0.0002744400000000, -0.0081318200000000 ] - [ -0.0153575400000000, 0.0000094200000000, -0.0082008500000000 ] - [ 0.0153399200000000, -0.0000680900000000, 0.0082931600000000 ] - [ 0.0159785900000000, 0.0004951600000000, 0.0088219100000000 ] - [ 0.0153399200000000, 0.0000680900000000, 0.0082931600000000 ] - [ 0.0159785900000000, -0.0004951600000000, 0.0088219100000000 ] - [ 0.0152922000000000, 0.0000000000000000, 0.0082797200000000 ] - [ 0.0153502200000000, 0.0000000000000000, 0.0083661900000000 ] - [ -0.0153417400000000, 0.0000000000000000, 0.0080427900000000 ] - [ -0.0152929800000000, 0.0000000000000000, 0.0081522200000000 ] - [ -0.0153377900000000, -0.0000149400000000, 0.0080893700000000 ] - [ -0.0152959800000000, -0.0000184100000000, 0.0081621200000000 ] - [ -0.0153377900000000, 0.0000149400000000, 0.0080893700000000 ] - [ -0.0152959800000000, 0.0000184100000000, 0.0081621200000000 ] - [ 0.0154806000000000, -0.0002891900000000, -0.0085362600000000 ] - [ 0.0152917400000000, -0.0000135900000000, -0.0082789600000000 ] - [ 0.0154806000000000, 0.0002891900000000, -0.0085362600000000 ] - [ 0.0152917400000000, 0.0000135900000000, -0.0082789600000000 ] - [ 0.0153667600000000, 0.0000000000000000, -0.0083236300000000 ] - [ 0.0153000900000000, 0.0000000000000000, -0.0082743400000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0008976300000000, 0.0000000000000000, 0.0000095300000000 ] - [ -0.0006184300000000, 0.0000000000000000, -0.0003579700000000 ] - [ -0.0008792600000000, -0.0000233700000000, 0.0000165700000000 ] - [ -0.0006991100000000, -0.0000762000000000, -0.0000803300000000 ] - [ -0.0008792600000000, 0.0000233700000000, 0.0000165700000000 ] - [ -0.0006991100000000, 0.0000762000000000, -0.0000803300000000 ] - [ 0.0004851700000000, -0.0003978900000000, -0.0004008900000000 ] - [ 0.0008558300000000, -0.0000217300000000, -0.0000744700000000 ] - [ 0.0004851700000000, 0.0003978900000000, -0.0004008900000000 ] - [ 0.0008558300000000, 0.0000217300000000, -0.0000744700000000 ] - [ 0.0007697600000000, 0.0000000000000000, -0.0000992000000000 ] - [ 0.0008387200000000, 0.0000000000000000, -0.0000651900000000 ] - [ -0.0012060600000000, 0.0000000000000000, -0.0008328000000000 ] - [ -0.0007436600000000, 0.0000000000000000, -0.0000427500000000 ] - [ -0.0009584300000000, -0.0002317100000000, -0.0003267200000000 ] - [ -0.0007692200000000, -0.0000187200000000, -0.0000371300000000 ] - [ -0.0009584300000000, 0.0002317100000000, -0.0003267200000000 ] - [ -0.0007692200000000, 0.0000187200000000, -0.0000371300000000 ] - [ 0.0014196900000000, -0.0004162500000000, 0.0000374100000000 ] - [ 0.0006869000000000, -0.0000381700000000, 0.0000484500000000 ] - [ 0.0014196900000000, 0.0004162500000000, 0.0000374100000000 ] - [ 0.0006869000000000, 0.0000381700000000, 0.0000484500000000 ] - [ 0.0009447300000000, 0.0000000000000000, 0.0001597800000000 ] - [ 0.0007515100000000, 0.0000000000000000, 0.0000614300000000 ] - [ -0.0011368300000000, 0.0000000000000000, 0.0147165800000000 ] - [ -0.0035755400000000, 0.0000000000000000, -0.0001552600000000 ] - [ -0.0033368600000000, -0.0000108200000000, 0.0004881200000000 ] - [ -0.0035754000000000, 0.0000053800000000, -0.0001622800000000 ] - [ -0.0033368600000000, 0.0000108200000000, 0.0004881200000000 ] - [ -0.0035754000000000, -0.0000053800000000, -0.0001622800000000 ] - [ 0.0032062400000000, -0.0000493900000000, 0.0004566300000000 ] - [ 0.0038262100000000, 0.0002122100000000, 0.0006990300000000 ] - [ 0.0032062400000000, 0.0000493900000000, 0.0004566300000000 ] - [ 0.0038262100000000, -0.0002122100000000, 0.0006990300000000 ] - [ 0.0034438700000000, 0.0000000000000000, 0.0003256600000000 ] - [ 0.0036926700000000, 0.0000000000000000, 0.0004642100000000 ] - [ -0.0034320200000000, 0.0000000000000000, 0.0000511400000000 ] - [ -0.0036385000000000, 0.0000000000000000, 0.0000511400000000 ] - [ -0.0034599300000000, 0.0000357200000000, 0.0001008800000000 ] - [ -0.0035790300000000, 0.0000022000000000, 0.0001010500000000 ] - [ -0.0034599300000000, -0.0000357200000000, 0.0001008800000000 ] - [ -0.0035790300000000, -0.0000022000000000, 0.0001010500000000 ] - [ 0.0035273700000000, -0.0000444100000000, -0.0006023100000000 ] - [ 0.0035503900000000, -0.0000005000000000, -0.0003081400000000 ] - [ 0.0035273700000000, 0.0000444100000000, -0.0006023100000000 ] - [ 0.0035503900000000, 0.0000005000000000, -0.0003081400000000 ] - [ 0.0035509600000000, 0.0000000000000000, -0.0004479900000000 ] - [ 0.0035528600000000, 0.0000000000000000, -0.0003016000000000 ] - [ -0.0161572400000000, 0.0000000000000000, 0.0074886800000000 ] - [ -0.0163346100000000, 0.0000000000000000, 0.0085970300000000 ] - [ -0.0163879200000000, 0.0000897600000000, 0.0085464100000000 ] - [ -0.0163382700000000, 0.0000068600000000, 0.0086025100000000 ] - [ -0.0163879200000000, -0.0000897600000000, 0.0085464100000000 ] - [ -0.0163382700000000, -0.0000068600000000, 0.0086025100000000 ] - [ 0.0163081900000000, 0.0000099900000000, -0.0087524700000000 ] - [ 0.0163192800000000, 0.0000029700000000, -0.0087307100000000 ] - [ 0.0163081900000000, -0.0000099900000000, -0.0087524700000000 ] - [ 0.0163192800000000, -0.0000029700000000, -0.0087307100000000 ] - [ 0.0162971300000000, 0.0000000000000000, -0.0086839000000000 ] - [ 0.0163084300000000, 0.0000000000000000, -0.0086804900000000 ] - [ -0.0162815100000000, 0.0000000000000000, -0.0086116200000000 ] - [ -0.0166870800000000, 0.0000000000000000, -0.0086097600000000 ] - [ -0.0163887500000000, 0.0000243600000000, -0.0085425500000000 ] - [ -0.0165247900000000, 0.0003379400000000, -0.0087119800000000 ] - [ -0.0163887500000000, -0.0000243600000000, -0.0085425500000000 ] - [ -0.0165247900000000, -0.0003379400000000, -0.0087119800000000 ] - [ 0.0164964200000000, 0.0005289300000000, 0.0081192000000000 ] - [ 0.0162972000000000, 0.0000013700000000, 0.0086328800000000 ] - [ 0.0164964200000000, -0.0005289300000000, 0.0081192000000000 ] - [ 0.0162972000000000, -0.0000013700000000, 0.0086328800000000 ] - [ 0.0162116300000000, 0.0000000000000000, 0.0085321200000000 ] - [ 0.0162903600000000, 0.0000000000000000, 0.0086304300000000 ] - [ 0.0010413100000000, 0.0000000000000000, -0.0060258400000000 ] - [ 0.0002958200000000, 0.0000000000000000, -0.0018688700000000 ] - [ 0.0002300400000000, -0.0002428700000000, -0.0018375200000000 ] - [ 0.0002949500000000, -0.0000085100000000, -0.0018684100000000 ] - [ 0.0002300400000000, 0.0002428700000000, -0.0018375200000000 ] - [ 0.0002949500000000, 0.0000085100000000, -0.0018684100000000 ] - [ -0.0001094400000000, -0.0000351100000000, 0.0020711000000000 ] - [ -0.0004269000000000, -0.0000659600000000, 0.0020101800000000 ] - [ -0.0001094400000000, 0.0000351100000000, 0.0020711000000000 ] - [ -0.0004269000000000, 0.0000659600000000, 0.0020101800000000 ] - [ -0.0001933900000000, 0.0000000000000000, 0.0019591900000000 ] - [ -0.0003510400000000, 0.0000000000000000, 0.0019394700000000 ] - [ 0.0001093400000000, 0.0000000000000000, 0.0018098000000000 ] - [ 0.0004770600000000, 0.0000000000000000, 0.0019524100000000 ] - [ 0.0002021500000000, -0.0000505700000000, 0.0018218500000000 ] - [ 0.0003691200000000, -0.0000807300000000, 0.0019133600000000 ] - [ 0.0002021500000000, 0.0000505700000000, 0.0018218500000000 ] - [ 0.0003691200000000, 0.0000807300000000, 0.0019133600000000 ] - [ -0.0002734800000000, -0.0001262000000000, -0.0014160000000000 ] - [ -0.0002691800000000, -0.0000037100000000, -0.0018796100000000 ] - [ -0.0002734800000000, 0.0001262000000000, -0.0014160000000000 ] - [ -0.0002691800000000, 0.0000037100000000, -0.0018796100000000 ] - [ -0.0002836500000000, 0.0000000000000000, -0.0017590300000000 ] - [ -0.0002682200000000, 0.0000000000000000, -0.0018790800000000 ] - [ 0.0026796800000000, 0.0000000000000000, -0.0011928600000000 ] - [ 0.0024744500000000, 0.0000000000000000, -0.0016096600000000 ] - [ 0.0025214800000000, -0.0000514900000000, -0.0015167900000000 ] - [ 0.0024856500000000, -0.0000025800000000, -0.0016200500000000 ] - [ 0.0025214800000000, 0.0000514900000000, -0.0015167900000000 ] - [ 0.0024856500000000, 0.0000025800000000, -0.0016200500000000 ] - [ -0.0024449900000000, -0.0000013000000000, 0.0017987400000000 ] - [ -0.0024922600000000, -0.0000000900000000, 0.0018615200000000 ] - [ -0.0024449900000000, 0.0000013000000000, 0.0017987400000000 ] - [ -0.0024922600000000, 0.0000000900000000, 0.0018615200000000 ] - [ -0.0024533900000000, 0.0000000000000000, 0.0017654800000000 ] - [ -0.0024777300000000, 0.0000000000000000, 0.0017947700000000 ] - [ 0.0025375300000000, 0.0000000000000000, 0.0012147900000000 ] - [ 0.0026332600000000, 0.0000000000000000, 0.0014430200000000 ] - [ 0.0025403600000000, -0.0000263200000000, 0.0014302300000000 ] - [ 0.0026444500000000, -0.0000642500000000, 0.0015140900000000 ] - [ 0.0025403600000000, 0.0000263200000000, 0.0014302300000000 ] - [ 0.0026444500000000, 0.0000642500000000, 0.0015140900000000 ] - [ -0.0042759700000000, 0.0028569000000000, -0.0045616200000000 ] - [ -0.0024804100000000, 0.0000000400000000, -0.0017499600000000 ] - [ -0.0042759700000000, -0.0028569000000000, -0.0045616200000000 ] - [ -0.0024804100000000, -0.0000000400000000, -0.0017499600000000 ] - [ -0.0024530400000000, 0.0000000000000000, -0.0017905400000000 ] - [ -0.0024621100000000, 0.0000000000000000, -0.0017442900000000 ] - [ -0.0138367900000000, 0.0000000000000000, -0.0103594200000000 ] - [ -0.0152837900000000, 0.0000000000000000, -0.0082728500000000 ] - [ -0.0154977300000000, 0.0002737100000000, -0.0083291300000000 ] - [ -0.0152823900000000, 0.0000094500000000, -0.0082601900000000 ] - [ -0.0154977300000000, -0.0002737100000000, -0.0083291300000000 ] - [ -0.0152823900000000, -0.0000094500000000, -0.0082601900000000 ] - [ 0.0153006600000000, 0.0000674400000000, 0.0081678500000000 ] - [ 0.0146538600000000, -0.0005021500000000, 0.0076401400000000 ] - [ 0.0153006600000000, -0.0000674400000000, 0.0081678500000000 ] - [ 0.0146538600000000, 0.0005021500000000, 0.0076401400000000 ] - [ 0.0153476200000000, 0.0000000000000000, 0.0081813700000000 ] - [ 0.0152895400000000, 0.0000000000000000, 0.0080948300000000 ] - [ -0.0152985100000000, 0.0000000000000000, 0.0084183100000000 ] - [ -0.0153468300000000, 0.0000000000000000, 0.0083089400000000 ] - [ -0.0153023200000000, 0.0000148300000000, 0.0083719200000000 ] - [ -0.0153439300000000, 0.0000182500000000, 0.0082989500000000 ] - [ -0.0153023200000000, -0.0000148300000000, 0.0083719200000000 ] - [ -0.0153439300000000, -0.0000182500000000, 0.0082989500000000 ] - [ 0.0151594400000000, 0.0002888100000000, -0.0079250600000000 ] - [ 0.0153482700000000, 0.0000135300000000, -0.0081822100000000 ] - [ 0.0151594400000000, -0.0002888100000000, -0.0079250600000000 ] - [ 0.0153482700000000, -0.0000135300000000, -0.0081822100000000 ] - [ 0.0152728500000000, 0.0000000000000000, -0.0081373000000000 ] - [ 0.0153398000000000, 0.0000000000000000, -0.0081869400000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007788300000000, 0.0000000000000000, 0.0000037200000000 ] - [ -0.0008372700000000, 0.0000000000000000, 0.0002516500000000 ] - [ -0.0007683900000000, -0.0000058600000000, 0.0000028700000000 ] - [ -0.0008711200000000, -0.0000904700000000, 0.0001387800000000 ] - [ -0.0007683900000000, 0.0000058600000000, 0.0000028700000000 ] - [ -0.0008711200000000, 0.0000904700000000, 0.0001387800000000 ] - [ 0.0011582200000000, 0.0011545000000000, -0.0008420900000000 ] - [ 0.0009730200000000, -0.0000029000000000, -0.0000605000000000 ] - [ 0.0011582200000000, -0.0011545000000000, -0.0008420900000000 ] - [ 0.0009730200000000, 0.0000029000000000, -0.0000605000000000 ] - [ 0.0006207400000000, 0.0000000000000000, -0.0000424100000000 ] - [ 0.0009480100000000, 0.0000000000000000, -0.0000648700000000 ] - [ -0.0009100500000000, 0.0000000000000000, -0.0000900400000000 ] - [ -0.0007416500000000, 0.0000000000000000, -0.0000176800000000 ] - [ -0.0009020400000000, -0.0000298400000000, -0.0001082800000000 ] - [ -0.0007582000000000, -0.0000181700000000, -0.0000320100000000 ] - [ -0.0009020400000000, 0.0000298400000000, -0.0001082800000000 ] - [ -0.0007582000000000, 0.0000181700000000, -0.0000320100000000 ] - [ 0.0007529800000000, 0.0000965500000000, 0.0005586200000000 ] - [ 0.0009292300000000, 0.0000842500000000, 0.0000232600000000 ] - [ 0.0007529800000000, -0.0000965500000000, 0.0005586200000000 ] - [ 0.0009292300000000, -0.0000842500000000, 0.0000232600000000 ] - [ 0.0008457200000000, 0.0000000000000000, 0.0002075900000000 ] - [ 0.0008673400000000, 0.0000000000000000, 0.0000528800000000 ] - [ -0.0035185000000000, 0.0000000000000000, -0.0003970100000000 ] - [ -0.0034611000000000, 0.0000000000000000, -0.0002195600000000 ] - [ -0.0036202200000000, -0.0000511600000000, -0.0001659700000000 ] - [ -0.0034765200000000, -0.0000068800000000, -0.0002157800000000 ] - [ -0.0036202200000000, 0.0000511600000000, -0.0001659700000000 ] - [ -0.0034765200000000, 0.0000068800000000, -0.0002157800000000 ] - [ 0.0035299300000000, 0.0000256100000000, 0.0002464800000000 ] - [ 0.0035572400000000, 0.0000237700000000, 0.0002353600000000 ] - [ 0.0035299300000000, -0.0000256100000000, 0.0002464800000000 ] - [ 0.0035572400000000, -0.0000237700000000, 0.0002353600000000 ] - [ 0.0035478700000000, 0.0000000000000000, 0.0002575400000000 ] - [ 0.0035473700000000, 0.0000000000000000, 0.0002460100000000 ] - [ -0.0029591000000000, 0.0000000000000000, -0.0001359200000000 ] - [ -0.0025300200000000, 0.0000000000000000, 0.0002740700000000 ] - [ -0.0031142000000000, 0.0001844700000000, 0.0000286700000000 ] - [ -0.0035312600000000, -0.0001365300000000, 0.0001649100000000 ] - [ -0.0031142000000000, -0.0001844700000000, 0.0000286700000000 ] - [ -0.0035312600000000, 0.0001365300000000, 0.0001649100000000 ] - [ 0.0027200500000000, 0.0006919900000000, -0.0000583400000000 ] - [ 0.0036812100000000, 0.0000141700000000, -0.0002564500000000 ] - [ 0.0027200500000000, -0.0006919900000000, -0.0000583400000000 ] - [ 0.0036812100000000, -0.0000141700000000, -0.0002564500000000 ] - [ 0.0033503500000000, 0.0000000000000000, -0.0003424100000000 ] - [ 0.0036585100000000, 0.0000000000000000, -0.0002632300000000 ] - [ -0.0407836100000000, 0.0000000000000000, 0.0066350700000000 ] - [ -0.0162154900000000, 0.0000000000000000, 0.0086274600000000 ] - [ -0.0174138900000000, 0.0007108900000000, 0.0091109900000000 ] - [ -0.0162198700000000, -0.0000446100000000, 0.0086165000000000 ] - [ -0.0174138900000000, -0.0007108900000000, 0.0091109900000000 ] - [ -0.0162198700000000, 0.0000446100000000, 0.0086165000000000 ] - [ 0.0163373600000000, 0.0000506600000000, -0.0086843600000000 ] - [ 0.0165383200000000, 0.0000049700000000, -0.0085108200000000 ] - [ 0.0163373600000000, -0.0000506600000000, -0.0086843600000000 ] - [ 0.0165383200000000, -0.0000049700000000, -0.0085108200000000 ] - [ 0.0163621400000000, 0.0000000000000000, -0.0086682600000000 ] - [ 0.0162901700000000, 0.0000000000000000, -0.0086054000000000 ] - [ -0.0163654000000000, 0.0000000000000000, -0.0084340800000000 ] - [ -0.0163658500000000, 0.0000000000000000, -0.0088571000000000 ] - [ -0.0163091900000000, -0.0000069000000000, -0.0085043200000000 ] - [ -0.0163092900000000, -0.0000571900000000, -0.0086404100000000 ] - [ -0.0163091900000000, 0.0000069000000000, -0.0085043200000000 ] - [ -0.0163092900000000, 0.0000571900000000, -0.0086404100000000 ] - [ 0.0162965200000000, 0.0000177000000000, 0.0086576300000000 ] - [ 0.0163626400000000, 0.0000068100000000, 0.0086182700000000 ] - [ 0.0162965200000000, -0.0000177000000000, 0.0086576300000000 ] - [ 0.0163626400000000, -0.0000068100000000, 0.0086182700000000 ] - [ 0.0162675400000000, 0.0000000000000000, 0.0086125200000000 ] - [ 0.0163521400000000, 0.0000000000000000, 0.0086195600000000 ] - [ 0.0003265100000000, 0.0000000000000000, -0.0053556500000000 ] - [ 0.0001669900000000, 0.0000000000000000, -0.0018744900000000 ] - [ 0.0005455000000000, 0.0000139700000000, -0.0021355600000000 ] - [ 0.0001892500000000, 0.0000167300000000, -0.0018713300000000 ] - [ 0.0005455000000000, -0.0000139700000000, -0.0021355600000000 ] - [ 0.0001892500000000, -0.0000167300000000, -0.0018713300000000 ] - [ -0.0002660000000000, -0.0000146700000000, 0.0019484100000000 ] - [ -0.0003203000000000, -0.0000148700000000, 0.0017606800000000 ] - [ -0.0002660000000000, 0.0000146700000000, 0.0019484100000000 ] - [ -0.0003203000000000, 0.0000148700000000, 0.0017606800000000 ] - [ -0.0002841900000000, 0.0000000000000000, 0.0019684900000000 ] - [ -0.0002851700000000, 0.0000000000000000, 0.0018574000000000 ] - [ 0.0000087200000000, 0.0000000000000000, 0.0016164100000000 ] - [ -0.0000050100000000, 0.0000000000000000, 0.0023022400000000 ] - [ 0.0001274300000000, -0.0000364400000000, 0.0017101900000000 ] - [ 0.0002607400000000, 0.0000984000000000, 0.0019019400000000 ] - [ 0.0001274300000000, 0.0000364400000000, 0.0017101900000000 ] - [ 0.0002607400000000, -0.0000984000000000, 0.0019019400000000 ] - [ -0.0001857100000000, -0.0000321600000000, -0.0019600300000000 ] - [ -0.0003446600000000, -0.0000077000000000, -0.0018746200000000 ] - [ -0.0001857100000000, 0.0000321600000000, -0.0019600300000000 ] - [ -0.0003446600000000, 0.0000077000000000, -0.0018746200000000 ] - [ -0.0001925300000000, 0.0000000000000000, -0.0018570000000000 ] - [ -0.0003384200000000, 0.0000000000000000, -0.0018763700000000 ] - [ 0.0193936800000000, 0.0000000000000000, 0.0081489600000000 ] - [ 0.0023180200000000, 0.0000000000000000, -0.0016637900000000 ] - [ 0.0029915100000000, 0.0002018400000000, -0.0016035900000000 ] - [ 0.0023255400000000, 0.0000095600000000, -0.0016663000000000 ] - [ 0.0029915100000000, -0.0002018400000000, -0.0016035900000000 ] - [ 0.0023255400000000, -0.0000095600000000, -0.0016663000000000 ] - [ -0.0025721500000000, -0.0000079300000000, 0.0018047200000000 ] - [ -0.0027749600000000, -0.0002792300000000, 0.0013627800000000 ] - [ -0.0025721500000000, 0.0000079300000000, 0.0018047200000000 ] - [ -0.0027749600000000, 0.0002792300000000, 0.0013627800000000 ] - [ -0.0025655800000000, 0.0000000000000000, 0.0017835900000000 ] - [ -0.0024293000000000, 0.0000000000000000, 0.0016974200000000 ] - [ 0.0026848100000000, 0.0000000000000000, 0.0016649100000000 ] - [ 0.0023998900000000, 0.0000000000000000, 0.0017609000000000 ] - [ 0.0024932200000000, 0.0000119500000000, 0.0015954700000000 ] - [ 0.0024521800000000, 0.0000239600000000, 0.0016786400000000 ] - [ 0.0024932200000000, -0.0000119500000000, 0.0015954700000000 ] - [ 0.0024521800000000, -0.0000239600000000, 0.0016786400000000 ] - [ -0.0024057600000000, -0.0000304300000000, -0.0016704800000000 ] - [ -0.0025483400000000, -0.0000093900000000, -0.0016790600000000 ] - [ -0.0024057600000000, 0.0000304300000000, -0.0016704800000000 ] - [ -0.0025483400000000, 0.0000093900000000, -0.0016790600000000 ] - [ -0.0024184600000000, 0.0000000000000000, -0.0016862000000000 ] - [ -0.0025306800000000, 0.0000000000000000, -0.0016777100000000 ] - [ -0.0152933300000000, 0.0000000000000000, -0.0082283000000000 ] - [ -0.0153519200000000, 0.0000000000000000, -0.0082346000000000 ] - [ -0.0152820400000000, 0.0000327100000000, -0.0082408600000000 ] - [ -0.0153566400000000, 0.0000091000000000, -0.0082395500000000 ] - [ -0.0152820400000000, -0.0000327100000000, -0.0082408600000000 ] - [ -0.0153566400000000, -0.0000091000000000, -0.0082395500000000 ] - [ 0.0152739300000000, -0.0000104000000000, 0.0081607900000000 ] - [ 0.0153362300000000, -0.0000881600000000, 0.0083072100000000 ] - [ 0.0152739300000000, 0.0000104000000000, 0.0081607900000000 ] - [ 0.0153362300000000, 0.0000881600000000, 0.0083072100000000 ] - [ 0.0152624800000000, 0.0000000000000000, 0.0081682400000000 ] - [ 0.0153831400000000, 0.0000000000000000, 0.0082241900000000 ] - [ -0.0151481800000000, 0.0000000000000000, 0.0083445200000000 ] - [ -0.0154635600000000, 0.0000000000000000, 0.0081739600000000 ] - [ -0.0152697300000000, -0.0000077400000000, 0.0084112300000000 ] - [ -0.0154211800000000, 0.0000889100000000, 0.0082344500000000 ] - [ -0.0152697300000000, 0.0000077400000000, 0.0084112300000000 ] - [ -0.0154211800000000, -0.0000889100000000, 0.0082344500000000 ] - [ 0.0192087300000000, -0.0048678300000000, -0.0102569400000000 ] - [ 0.0151676200000000, -0.0000707600000000, -0.0081898800000000 ] - [ 0.0192087300000000, 0.0048678300000000, -0.0102569400000000 ] - [ 0.0151676200000000, 0.0000707600000000, -0.0081898800000000 ] - [ 0.0155898200000000, 0.0000000000000000, -0.0083201500000000 ] - [ 0.0152473700000000, 0.0000000000000000, -0.0082097100000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0008658800000000, 0.0000000000000000, 0.0001141400000000 ] - [ -0.0008075400000000, 0.0000000000000000, -0.0001332000000000 ] - [ -0.0008762200000000, 0.0000058200000000, 0.0001149100000000 ] - [ -0.0007737800000000, 0.0000901600000000, -0.0000207500000000 ] - [ -0.0008762200000000, -0.0000058200000000, 0.0001149100000000 ] - [ -0.0007737800000000, -0.0000901600000000, -0.0000207500000000 ] - [ 0.0004774700000000, -0.0011653500000000, 0.0007304600000000 ] - [ 0.0006751500000000, 0.0000025000000000, -0.0000568400000000 ] - [ 0.0004774700000000, 0.0011653500000000, 0.0007304600000000 ] - [ 0.0006751500000000, -0.0000025000000000, -0.0000568400000000 ] - [ 0.0010262200000000, 0.0000000000000000, -0.0000746300000000 ] - [ 0.0006997500000000, 0.0000000000000000, -0.0000523800000000 ] - [ -0.0007348000000000, 0.0000000000000000, -0.0000268600000000 ] - [ -0.0009028600000000, 0.0000000000000000, -0.0000992200000000 ] - [ -0.0007428000000000, 0.0000297500000000, -0.0000088400000000 ] - [ -0.0008863800000000, 0.0000181200000000, -0.0000849700000000 ] - [ -0.0007428000000000, -0.0000297500000000, -0.0000088400000000 ] - [ -0.0008863800000000, -0.0000181200000000, -0.0000849700000000 ] - [ 0.0008975600000000, -0.0001007000000000, -0.0004363100000000 ] - [ 0.0007185000000000, -0.0000840900000000, 0.0000943200000000 ] - [ 0.0008975600000000, 0.0001007000000000, -0.0004363100000000 ] - [ 0.0007185000000000, 0.0000840900000000, 0.0000943200000000 ] - [ 0.0008021500000000, 0.0000000000000000, -0.0000895500000000 ] - [ 0.0007802300000000, 0.0000000000000000, 0.0000647900000000 ] - [ -0.0035682000000000, 0.0000000000000000, -0.0000697900000000 ] - [ -0.0036250100000000, 0.0000000000000000, -0.0002478100000000 ] - [ -0.0034663300000000, 0.0000512200000000, -0.0003011600000000 ] - [ -0.0036097000000000, 0.0000069200000000, -0.0002516100000000 ] - [ -0.0034663300000000, -0.0000512200000000, -0.0003011600000000 ] - [ -0.0036097000000000, -0.0000069200000000, -0.0002516100000000 ] - [ 0.0035593400000000, -0.0000257200000000, 0.0002219200000000 ] - [ 0.0035319000000000, -0.0000237000000000, 0.0002329100000000 ] - [ 0.0035593400000000, 0.0000257200000000, 0.0002219200000000 ] - [ 0.0035319000000000, 0.0000237000000000, 0.0002329100000000 ] - [ 0.0035414300000000, 0.0000000000000000, 0.0002107300000000 ] - [ 0.0035417900000000, 0.0000000000000000, 0.0002222100000000 ] - [ -0.0041176800000000, 0.0000000000000000, 0.0005972400000000 ] - [ -0.0045516400000000, 0.0000000000000000, 0.0001947200000000 ] - [ -0.0039712700000000, -0.0001849800000000, 0.0004395800000000 ] - [ -0.0035552400000000, 0.0001360000000000, 0.0003028800000000 ] - [ -0.0039712700000000, 0.0001849800000000, 0.0004395800000000 ] - [ -0.0035552400000000, -0.0001360000000000, 0.0003028800000000 ] - [ 0.0043672100000000, -0.0006907800000000, -0.0004104300000000 ] - [ 0.0034082900000000, -0.0000141300000000, -0.0002111200000000 ] - [ 0.0043672100000000, 0.0006907800000000, -0.0004104300000000 ] - [ 0.0034082900000000, 0.0000141300000000, -0.0002111200000000 ] - [ 0.0037385300000000, 0.0000000000000000, -0.0001255400000000 ] - [ 0.0034309300000000, 0.0000000000000000, -0.0002043600000000 ] - [ 0.0086409500000000, 0.0000000000000000, 0.0111914600000000 ] - [ -0.0164328000000000, 0.0000000000000000, 0.0086129900000000 ] - [ -0.0152333400000000, -0.0007093500000000, 0.0081325600000000 ] - [ -0.0164241200000000, 0.0000445200000000, 0.0086238900000000 ] - [ -0.0152333400000000, 0.0007093500000000, 0.0081325600000000 ] - [ -0.0164241200000000, -0.0000445200000000, 0.0086238900000000 ] - [ 0.0163098700000000, -0.0000503600000000, -0.0085555900000000 ] - [ 0.0161093000000000, -0.0000048900000000, -0.0087286800000000 ] - [ 0.0163098700000000, 0.0000503600000000, -0.0085555900000000 ] - [ 0.0161093000000000, 0.0000048900000000, -0.0087286800000000 ] - [ 0.0162850900000000, 0.0000000000000000, -0.0085717900000000 ] - [ 0.0163567300000000, 0.0000000000000000, -0.0086345100000000 ] - [ -0.0162772300000000, 0.0000000000000000, -0.0088052300000000 ] - [ -0.0162777400000000, 0.0000000000000000, -0.0083836300000000 ] - [ -0.0163339500000000, 0.0000070800000000, -0.0087356900000000 ] - [ -0.0163338900000000, 0.0000571800000000, -0.0085998300000000 ] - [ -0.0163339500000000, -0.0000070800000000, -0.0087356900000000 ] - [ -0.0163338900000000, -0.0000571800000000, -0.0085998300000000 ] - [ 0.0163492900000000, -0.0000177400000000, 0.0085831300000000 ] - [ 0.0162839400000000, -0.0000051600000000, 0.0086224300000000 ] - [ 0.0163492900000000, 0.0000177400000000, 0.0085831300000000 ] - [ 0.0162839400000000, 0.0000051600000000, 0.0086224300000000 ] - [ 0.0163782300000000, 0.0000000000000000, 0.0086280900000000 ] - [ 0.0162938800000000, 0.0000000000000000, 0.0086210900000000 ] - [ 0.0002796700000000, 0.0000000000000000, 0.0015489400000000 ] - [ 0.0003802200000000, 0.0000000000000000, -0.0018886000000000 ] - [ 0.0000023700000000, -0.0000139200000000, -0.0016274200000000 ] - [ 0.0003580900000000, -0.0000167700000000, -0.0018917600000000 ] - [ 0.0000023700000000, 0.0000139200000000, -0.0016274200000000 ] - [ 0.0003580900000000, 0.0000167700000000, -0.0018917600000000 ] - [ -0.0002786500000000, 0.0000145500000000, 0.0018153200000000 ] - [ -0.0002244600000000, 0.0000147900000000, 0.0020027200000000 ] - [ -0.0002786500000000, -0.0000145500000000, 0.0018153200000000 ] - [ -0.0002244600000000, -0.0000147900000000, 0.0020027200000000 ] - [ -0.0002605200000000, 0.0000000000000000, 0.0017955200000000 ] - [ -0.0002595400000000, 0.0000000000000000, 0.0019063600000000 ] - [ 0.0005363700000000, 0.0000000000000000, 0.0021468200000000 ] - [ 0.0005542000000000, 0.0000000000000000, 0.0014623400000000 ] - [ 0.0004205600000000, 0.0000362300000000, 0.0020543300000000 ] - [ 0.0002869400000000, -0.0000981600000000, 0.0018620700000000 ] - [ 0.0004205600000000, -0.0000362300000000, 0.0020543300000000 ] - [ 0.0002869400000000, 0.0000981600000000, 0.0018620700000000 ] - [ -0.0003588100000000, 0.0000320300000000, -0.0018036000000000 ] - [ -0.0002002400000000, 0.0000076800000000, -0.0018887700000000 ] - [ -0.0003588100000000, -0.0000320300000000, -0.0018036000000000 ] - [ -0.0002002400000000, -0.0000076800000000, -0.0018887700000000 ] - [ -0.0003519600000000, 0.0000000000000000, -0.0019062400000000 ] - [ -0.0002065000000000, 0.0000000000000000, -0.0018870100000000 ] - [ -0.0152586700000000, 0.0000000000000000, -0.0120224400000000 ] - [ 0.0026426600000000, 0.0000000000000000, -0.0016761000000000 ] - [ 0.0019716100000000, -0.0002014500000000, -0.0017364700000000 ] - [ 0.0026353100000000, -0.0000095600000000, -0.0016738000000000 ] - [ 0.0019716100000000, 0.0002014500000000, -0.0017364700000000 ] - [ 0.0026353100000000, 0.0000095600000000, -0.0016738000000000 ] - [ -0.0023862600000000, 0.0000080000000000, 0.0015362500000000 ] - [ -0.0021837400000000, 0.0002784700000000, 0.0019771900000000 ] - [ -0.0023862600000000, -0.0000080000000000, 0.0015362500000000 ] - [ -0.0021837400000000, -0.0002784700000000, 0.0019771900000000 ] - [ -0.0023927600000000, 0.0000000000000000, 0.0015570800000000 ] - [ -0.0025286500000000, 0.0000000000000000, 0.0016435800000000 ] - [ 0.0022759900000000, 0.0000000000000000, 0.0016753200000000 ] - [ 0.0025610000000000, 0.0000000000000000, 0.0015803000000000 ] - [ 0.0024677900000000, -0.0000121400000000, 0.0017451900000000 ] - [ 0.0025090600000000, -0.0000239400000000, 0.0016621700000000 ] - [ 0.0024677900000000, 0.0000121400000000, 0.0017451900000000 ] - [ 0.0025090600000000, 0.0000239400000000, 0.0016621700000000 ] - [ -0.0025525900000000, 0.0000301700000000, -0.0016704800000000 ] - [ -0.0024101100000000, 0.0000093500000000, -0.0016612500000000 ] - [ -0.0025525900000000, -0.0000301700000000, -0.0016704800000000 ] - [ -0.0024101100000000, -0.0000093500000000, -0.0016612500000000 ] - [ -0.0025397400000000, 0.0000000000000000, -0.0016541100000000 ] - [ -0.0024277400000000, 0.0000000000000000, -0.0016626200000000 ] - [ -0.0153427900000000, 0.0000000000000000, -0.0082301300000000 ] - [ -0.0152844900000000, 0.0000000000000000, -0.0082238500000000 ] - [ -0.0153540800000000, -0.0000326100000000, -0.0082175600000000 ] - [ -0.0152797600000000, -0.0000091100000000, -0.0082188700000000 ] - [ -0.0153540800000000, 0.0000326100000000, -0.0082175600000000 ] - [ -0.0152797600000000, 0.0000091100000000, -0.0082188700000000 ] - [ 0.0153648000000000, 0.0000110800000000, 0.0082975800000000 ] - [ 0.0153034200000000, 0.0000882800000000, 0.0081515200000000 ] - [ 0.0153648000000000, -0.0000110800000000, 0.0082975800000000 ] - [ 0.0153034200000000, -0.0000882800000000, 0.0081515200000000 ] - [ 0.0153764900000000, 0.0000000000000000, 0.0082907100000000 ] - [ 0.0152561100000000, 0.0000000000000000, 0.0082346800000000 ] - [ -0.0154875500000000, 0.0000000000000000, 0.0081137600000000 ] - [ -0.0151731900000000, 0.0000000000000000, 0.0082846700000000 ] - [ -0.0153661600000000, 0.0000078500000000, 0.0080482700000000 ] - [ -0.0152154300000000, -0.0000886200000000, 0.0082244600000000 ] - [ -0.0153661600000000, -0.0000078500000000, 0.0080482700000000 ] - [ -0.0152154300000000, 0.0000886200000000, 0.0082244600000000 ] - [ 0.0114665700000000, 0.0047125900000000, -0.0062368000000000 ] - [ 0.0154711000000000, 0.0000705600000000, -0.0082681300000000 ] - [ 0.0114665700000000, -0.0047125900000000, -0.0062368000000000 ] - [ 0.0154711000000000, -0.0000705600000000, -0.0082681300000000 ] - [ 0.0150490100000000, 0.0000000000000000, -0.0081381800000000 ] - [ 0.0153916300000000, 0.0000000000000000, -0.0082483900000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008236100000000, -0.0000763000000000, 0.0000589700000000 ] - [ -0.0008236200000000, -0.0000219600000000, 0.0000588900000000 ] - [ -0.0008019400000000, 0.0000399200000000, 0.0000282900000000 ] - [ -0.0008398600000000, 0.0000122900000000, 0.0000528700000000 ] - [ -0.0008453300000000, 0.0000398100000000, 0.0000897000000000 ] - [ -0.0008072600000000, 0.0000121500000000, 0.0000650600000000 ] - [ 0.0016707700000000, 0.0002936200000000, -0.0004999900000000 ] - [ 0.0007534800000000, -0.0000597100000000, -0.0000792900000000 ] - [ -0.0000375200000000, 0.0003020100000000, 0.0003879800000000 ] - [ 0.0008914200000000, -0.0000596200000000, -0.0000386100000000 ] - [ 0.0008227400000000, 0.0002928300000000, -0.0000590900000000 ] - [ 0.0008224100000000, 0.0001215200000000, -0.0000589400000000 ] - [ -0.0008235500000000, -0.0000376700000000, -0.0000589400000000 ] - [ -0.0008236200000000, -0.0000113700000000, -0.0000589800000000 ] - [ -0.0008361400000000, 0.0000195600000000, -0.0001107600000000 ] - [ -0.0008205900000000, 0.0000070400000000, -0.0000607800000000 ] - [ -0.0008109500000000, 0.0000194600000000, -0.0000070600000000 ] - [ -0.0008266500000000, 0.0000070100000000, -0.0000571800000000 ] - [ 0.0006947900000000, -0.0001452700000000, -0.0006034000000000 ] - [ 0.0008273800000000, -0.0000157300000000, 0.0000530200000000 ] - [ 0.0009519100000000, -0.0001434200000000, 0.0007219500000000 ] - [ 0.0008175800000000, -0.0000157000000000, 0.0000649700000000 ] - [ 0.0008222000000000, 0.0002724500000000, 0.0000587200000000 ] - [ 0.0008224900000000, 0.0000336100000000, 0.0000590000000000 ] - [ -0.0035442400000000, 0.0000364000000000, -0.0002336300000000 ] - [ -0.0035439900000000, -0.0000167600000000, -0.0002338300000000 ] - [ -0.0035737900000000, 0.0000053900000000, -0.0001442300000000 ] - [ -0.0035403500000000, 0.0000095100000000, -0.0002270700000000 ] - [ -0.0035141200000000, 0.0000052800000000, -0.0003235200000000 ] - [ -0.0035476700000000, 0.0000094700000000, -0.0002406100000000 ] - [ 0.0035344000000000, -0.0000208000000000, 0.0002238100000000 ] - [ 0.0035460000000000, -0.0000040400000000, 0.0002308700000000 ] - [ 0.0035514400000000, -0.0000206400000000, 0.0002439100000000 ] - [ 0.0035397600000000, -0.0000040200000000, 0.0002367500000000 ] - [ 0.0035428900000000, 0.0000423500000000, 0.0002338400000000 ] - [ 0.0035428800000000, 0.0000102500000000, 0.0002338100000000 ] - [ -0.0035433600000000, -0.0011079300000000, 0.0002335600000000 ] - [ -0.0035440000000000, 0.0000271500000000, 0.0002339900000000 ] - [ -0.0029503000000000, 0.0006112100000000, -0.0001048800000000 ] - [ -0.0036336900000000, 0.0000041700000000, 0.0002094000000000 ] - [ -0.0041393400000000, 0.0006109600000000, 0.0005732900000000 ] - [ -0.0034542300000000, 0.0000040400000000, 0.0002583900000000 ] - [ 0.0039949300000000, -0.0001471900000000, 0.0002952500000000 ] - [ 0.0035048400000000, -0.0000154500000000, -0.0002325100000000 ] - [ 0.0030913600000000, -0.0001448500000000, -0.0007652100000000 ] - [ 0.0035809300000000, -0.0000154300000000, -0.0002350600000000 ] - [ 0.0035431400000000, 0.0002584600000000, -0.0002335600000000 ] - [ 0.0035428400000000, 0.0000329000000000, -0.0002338000000000 ] - [ -0.0166493400000000, -0.0218629900000000, 0.0088143600000000 ] - [ -0.0163245500000000, -0.0000141600000000, 0.0086207500000000 ] - [ -0.0170318300000000, 0.0015287300000000, 0.0089658600000000 ] - [ -0.0162799100000000, 0.0000102300000000, 0.0086358400000000 ] - [ -0.0156115500000000, 0.0015257200000000, 0.0082702800000000 ] - [ -0.0163688500000000, 0.0000102400000000, 0.0086055800000000 ] - [ 0.0163736100000000, -0.0001178100000000, -0.0085597600000000 ] - [ 0.0163281400000000, 0.0000025000000000, -0.0086169700000000 ] - [ 0.0162725900000000, -0.0001175400000000, -0.0086814400000000 ] - [ 0.0163181200000000, 0.0000023500000000, -0.0086244100000000 ] - [ 0.0163231600000000, 0.0002321500000000, -0.0086206700000000 ] - [ 0.0163233800000000, 0.0000020900000000, -0.0086207500000000 ] - [ -0.0163236200000000, -0.0000260100000000, -0.0086207500000000 ] - [ -0.0163237800000000, -0.0000261400000000, -0.0086206900000000 ] - [ -0.0162666900000000, 0.0000109800000000, -0.0084719400000000 ] - [ -0.0163166600000000, 0.0000109700000000, -0.0085864200000000 ] - [ -0.0163809900000000, 0.0000109300000000, -0.0087697200000000 ] - [ -0.0163306900000000, 0.0000109300000000, -0.0086551700000000 ] - [ 0.0163404000000000, -0.0000033400000000, 0.0086501100000000 ] - [ 0.0163283200000000, -0.0000019400000000, 0.0086320500000000 ] - [ 0.0163050100000000, -0.0000032300000000, 0.0085914500000000 ] - [ 0.0163175700000000, -0.0000035700000000, 0.0086093900000000 ] - [ 0.0163226300000000, 0.0000120700000000, 0.0086207500000000 ] - [ 0.0163227300000000, 0.0000126500000000, 0.0086206800000000 ] - [ 0.0002687500000000, -0.0004924000000000, -0.0019284200000000 ] - [ 0.0002720000000000, 0.0000199100000000, -0.0018806700000000 ] - [ 0.0004400000000000, -0.0003371800000000, -0.0022770100000000 ] - [ 0.0002571600000000, -0.0000092700000000, -0.0018902300000000 ] - [ 0.0001034100000000, -0.0003362100000000, -0.0014843200000000 ] - [ 0.0002868200000000, -0.0000092500000000, -0.0018711500000000 ] - [ -0.0002764700000000, 0.0000321800000000, 0.0018566000000000 ] - [ -0.0002733700000000, 0.0000033200000000, 0.0018842900000000 ] - [ -0.0002695600000000, 0.0000321300000000, 0.0019047600000000 ] - [ -0.0002726700000000, 0.0000033100000000, 0.0018773500000000 ] - [ -0.0002730000000000, -0.0000641400000000, 0.0018805900000000 ] - [ -0.0002730600000000, -0.0000043900000000, 0.0018807300000000 ] - [ 0.0002722400000000, 0.0002906600000000, 0.0018808700000000 ] - [ 0.0002719700000000, 0.0000448700000000, 0.0018808300000000 ] - [ 0.0000778600000000, -0.0001517200000000, 0.0016343900000000 ] - [ 0.0003126200000000, -0.0000222800000000, 0.0018375400000000 ] - [ 0.0004664500000000, -0.0001514100000000, 0.0021274700000000 ] - [ 0.0002314800000000, -0.0000220700000000, 0.0019239000000000 ] - [ -0.0002961300000000, 0.0000187100000000, -0.0019499400000000 ] - [ -0.0002576500000000, 0.0000059400000000, -0.0019060800000000 ] - [ -0.0002501200000000, 0.0000186500000000, -0.0018112200000000 ] - [ -0.0002885200000000, 0.0000059400000000, -0.0018552500000000 ] - [ -0.0002731500000000, -0.0000341300000000, -0.0018806900000000 ] - [ -0.0002730900000000, -0.0000097200000000, -0.0018806500000000 ] - [ 0.0025174300000000, -0.0006282400000000, -0.0016351000000000 ] - [ 0.0024786600000000, 0.0000447200000000, -0.0016700800000000 ] - [ 0.0028992800000000, -0.0003539500000000, -0.0015828100000000 ] - [ 0.0023836000000000, -0.0000202500000000, -0.0016718100000000 ] - [ 0.0020577100000000, -0.0003531100000000, -0.0017569600000000 ] - [ 0.0025738800000000, -0.0000202200000000, -0.0016683400000000 ] - [ -0.0023756500000000, 0.0000934400000000, 0.0015252900000000 ] - [ -0.0024782600000000, 0.0000574000000000, 0.0017033400000000 ] - [ -0.0025840500000000, 0.0000932900000000, 0.0018151400000000 ] - [ -0.0024808000000000, 0.0000572100000000, 0.0016369700000000 ] - [ -0.0024797100000000, -0.0002146400000000, 0.0016700800000000 ] - [ -0.0024799000000000, -0.0000502900000000, 0.0016700000000000 ] - [ 0.0024782000000000, 0.0000687300000000, 0.0016698200000000 ] - [ 0.0024786600000000, 0.0000116300000000, 0.0016701100000000 ] - [ 0.0024459100000000, -0.0000429300000000, 0.0015862400000000 ] - [ 0.0024780000000000, -0.0000035900000000, 0.0016588300000000 ] - [ 0.0025114100000000, -0.0000427400000000, 0.0017540600000000 ] - [ 0.0024793400000000, -0.0000035400000000, 0.0016814000000000 ] - [ -0.0024836500000000, 0.0000172900000000, -0.0016737100000000 ] - [ -0.0024774800000000, 0.0000038800000000, -0.0016734000000000 ] - [ -0.0024761500000000, 0.0000174500000000, -0.0016669500000000 ] - [ -0.0024820200000000, 0.0000038700000000, -0.0016667500000000 ] - [ -0.0024797400000000, -0.0000331300000000, -0.0016700900000000 ] - [ -0.0024797200000000, -0.0000049700000000, -0.0016700900000000 ] - [ -0.0153211200000000, 0.0000318300000000, -0.0082298000000000 ] - [ -0.0153207800000000, 0.0000221700000000, -0.0082296800000000 ] - [ -0.0153129600000000, -0.0000142000000000, -0.0082322800000000 ] - [ -0.0153262700000000, -0.0000086200000000, -0.0082290900000000 ] - [ -0.0153292700000000, -0.0000141000000000, -0.0082272900000000 ] - [ -0.0153160800000000, -0.0000090200000000, -0.0082303800000000 ] - [ 0.0153372100000000, 0.0000616200000000, 0.0082478100000000 ] - [ 0.0153183000000000, 0.0000405700000000, 0.0082489900000000 ] - [ 0.0153027300000000, 0.0000610900000000, 0.0082116000000000 ] - [ 0.0153217700000000, 0.0000405500000000, 0.0082107000000000 ] - [ 0.0153200600000000, -0.0001251600000000, 0.0082299000000000 ] - [ 0.0153199900000000, -0.0000634900000000, 0.0082298300000000 ] - [ -0.0153210700000000, 0.0003377600000000, 0.0082295000000000 ] - [ -0.0153210800000000, 0.0000230200000000, 0.0082297800000000 ] - [ -0.0153537200000000, -0.0001802600000000, 0.0084533100000000 ] - [ -0.0153289600000000, -0.0000067500000000, 0.0082385400000000 ] - [ -0.0152884700000000, -0.0001800300000000, 0.0080059000000000 ] - [ -0.0153131200000000, -0.0000066100000000, 0.0082209800000000 ] - [ 0.0084617900000000, 0.0104132100000000, -0.0049804300000000 ] - [ 0.0153244100000000, 0.0000248800000000, -0.0082264800000000 ] - [ 0.0225522800000000, 0.0109976300000000, -0.0116616300000000 ] - [ 0.0153156700000000, 0.0000248300000000, -0.0082330700000000 ] - [ 0.0153196700000000, -0.0012162000000000, -0.0082296100000000 ] - [ 0.0153199800000000, -0.0000462300000000, -0.0082297500000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0008589400000000, 0.0000000000000000, 0.0001220800000000 ] - [ -0.0008288000000000, 0.0000000000000000, 0.0002147700000000 ] - [ -0.0008487200000000, -0.0000016500000000, 0.0001109700000000 ] - [ -0.0008380300000000, -0.0000317800000000, 0.0001494600000000 ] - [ -0.0008487200000000, 0.0000016500000000, 0.0001109700000000 ] - [ -0.0008380300000000, 0.0000317800000000, 0.0001494600000000 ] - [ 0.0000255000000000, -0.0006055800000000, -0.0008551400000000 ] - [ 0.0008543700000000, -0.0000440900000000, -0.0001212800000000 ] - [ 0.0000255000000000, 0.0006055800000000, -0.0008551400000000 ] - [ 0.0008543700000000, 0.0000440900000000, -0.0001212800000000 ] - [ 0.0008469500000000, 0.0000000000000000, -0.0002402300000000 ] - [ 0.0008161500000000, 0.0000000000000000, -0.0000973800000000 ] - [ -0.0007956500000000, 0.0000000000000000, 0.0001086700000000 ] - [ -0.0008022800000000, 0.0000000000000000, -0.0000033500000000 ] - [ -0.0008018400000000, 0.0000156800000000, 0.0000485700000000 ] - [ -0.0008081400000000, -0.0000031900000000, -0.0000137300000000 ] - [ -0.0008018400000000, -0.0000156800000000, 0.0000485700000000 ] - [ -0.0008081400000000, 0.0000031900000000, -0.0000137300000000 ] - [ 0.0015346200000000, -0.0007770200000000, -0.0001887000000000 ] - [ 0.0007749600000000, 0.0000019800000000, -0.0000047100000000 ] - [ 0.0015346200000000, 0.0007770200000000, -0.0001887000000000 ] - [ 0.0007749600000000, -0.0000019800000000, -0.0000047100000000 ] - [ 0.0008651400000000, 0.0000000000000000, -0.0000680900000000 ] - [ 0.0007864500000000, 0.0000000000000000, 0.0000129700000000 ] - [ -0.0037562000000000, 0.0000000000000000, 0.0008954700000000 ] - [ -0.0035329700000000, 0.0000000000000000, -0.0002124500000000 ] - [ -0.0035374100000000, 0.0001402700000000, -0.0001619000000000 ] - [ -0.0035468900000000, 0.0000129000000000, -0.0002177300000000 ] - [ -0.0035374100000000, -0.0001402700000000, -0.0001619000000000 ] - [ -0.0035468900000000, -0.0000129000000000, -0.0002177300000000 ] - [ 0.0036222400000000, -0.0000861700000000, 0.0003662800000000 ] - [ 0.0034796300000000, -0.0000103100000000, 0.0003447200000000 ] - [ 0.0036222400000000, 0.0000861700000000, 0.0003662800000000 ] - [ 0.0034796300000000, 0.0000103100000000, 0.0003447200000000 ] - [ 0.0035754800000000, 0.0000000000000000, 0.0002977800000000 ] - [ 0.0035286500000000, 0.0000000000000000, 0.0002944700000000 ] - [ -0.0038755200000000, 0.0000000000000000, 0.0002235700000000 ] - [ -0.0029651300000000, 0.0000000000000000, 0.0002260900000000 ] - [ -0.0037287900000000, -0.0000898700000000, 0.0003260300000000 ] - [ -0.0034656400000000, -0.0000517000000000, 0.0001566300000000 ] - [ -0.0037287900000000, 0.0000898700000000, 0.0003260300000000 ] - [ -0.0034656400000000, 0.0000517000000000, 0.0001566300000000 ] - [ 0.0035193800000000, 0.0004019100000000, 0.0002637500000000 ] - [ 0.0035469100000000, 0.0000010400000000, -0.0002482900000000 ] - [ 0.0035193800000000, -0.0004019100000000, 0.0002637500000000 ] - [ 0.0035469100000000, -0.0000010400000000, -0.0002482900000000 ] - [ 0.0035565400000000, 0.0000000000000000, -0.0001476100000000 ] - [ 0.0035394100000000, 0.0000000000000000, -0.0002454500000000 ] - [ -0.0183821100000000, 0.0000000000000000, -0.0180296600000000 ] - [ -0.0163182200000000, 0.0000000000000000, 0.0085721700000000 ] - [ -0.0158386200000000, -0.0003469400000000, 0.0082822500000000 ] - [ -0.0163299500000000, -0.0000150900000000, 0.0085723700000000 ] - [ -0.0158386200000000, 0.0003469400000000, 0.0082822500000000 ] - [ -0.0163299500000000, 0.0000150900000000, 0.0085723700000000 ] - [ 0.0162620700000000, 0.0000604000000000, -0.0085352200000000 ] - [ 0.0164352200000000, 0.0000036000000000, -0.0085284200000000 ] - [ 0.0162620700000000, -0.0000604000000000, -0.0085352200000000 ] - [ 0.0164352200000000, -0.0000036000000000, -0.0085284200000000 ] - [ 0.0162780200000000, 0.0000000000000000, -0.0085569400000000 ] - [ 0.0163406700000000, 0.0000000000000000, -0.0085748000000000 ] - [ -0.0160893600000000, 0.0000000000000000, -0.0087501600000000 ] - [ -0.0165107700000000, 0.0000000000000000, -0.0087504000000000 ] - [ -0.0163054200000000, 0.0000342900000000, -0.0087189300000000 ] - [ -0.0164411800000000, 0.0001487000000000, -0.0087189600000000 ] - [ -0.0163054200000000, -0.0000342900000000, -0.0087189300000000 ] - [ -0.0164411800000000, -0.0001487000000000, -0.0087189600000000 ] - [ 0.0162884900000000, -0.0000293100000000, 0.0087560000000000 ] - [ 0.0163280400000000, -0.0000104600000000, 0.0086626500000000 ] - [ 0.0162884900000000, 0.0000293100000000, 0.0087560000000000 ] - [ 0.0163280400000000, 0.0000104600000000, 0.0086626500000000 ] - [ 0.0163335900000000, 0.0000000000000000, 0.0086882200000000 ] - [ 0.0163266000000000, 0.0000000000000000, 0.0086580600000000 ] - [ -0.0029264200000000, 0.0000000000000000, 0.0186158400000000 ] - [ 0.0002592400000000, 0.0000000000000000, -0.0018204500000000 ] - [ 0.0001818400000000, -0.0002696800000000, -0.0015277100000000 ] - [ 0.0002738600000000, -0.0000042600000000, -0.0018226200000000 ] - [ 0.0001818400000000, 0.0002696800000000, -0.0015277100000000 ] - [ 0.0002738600000000, 0.0000042600000000, -0.0018226200000000 ] - [ -0.0002602800000000, -0.0000114900000000, 0.0017413700000000 ] - [ -0.0002791600000000, -0.0000002900000000, 0.0017644200000000 ] - [ -0.0002602800000000, 0.0000114900000000, 0.0017413700000000 ] - [ -0.0002791600000000, 0.0000002900000000, 0.0017644200000000 ] - [ -0.0002610500000000, 0.0000000000000000, 0.0017858900000000 ] - [ -0.0002721200000000, 0.0000000000000000, 0.0018158700000000 ] - [ 0.0000506400000000, 0.0000000000000000, 0.0021013000000000 ] - [ 0.0003733700000000, 0.0000000000000000, 0.0022904600000000 ] - [ 0.0003104400000000, -0.0000329200000000, 0.0020902000000000 ] - [ 0.0003245300000000, -0.0000462500000000, 0.0020103800000000 ] - [ 0.0003104400000000, 0.0000329200000000, 0.0020902000000000 ] - [ 0.0003245300000000, 0.0000462500000000, 0.0020103800000000 ] - [ -0.0002778000000000, -0.0000067900000000, -0.0020865800000000 ] - [ -0.0002733000000000, 0.0000000300000000, -0.0019458000000000 ] - [ -0.0002778000000000, 0.0000067900000000, -0.0020865800000000 ] - [ -0.0002733000000000, -0.0000000300000000, -0.0019458000000000 ] - [ -0.0002794000000000, 0.0000000000000000, -0.0019846800000000 ] - [ -0.0002709300000000, 0.0000000000000000, -0.0019406100000000 ] - [ 0.0118721200000000, 0.0000000000000000, 0.0032882600000000 ] - [ 0.0024783100000000, 0.0000000000000000, -0.0016053200000000 ] - [ 0.0023898600000000, 0.0001519600000000, -0.0015268800000000 ] - [ 0.0025067700000000, 0.0000001900000000, -0.0016261000000000 ] - [ 0.0023898600000000, -0.0001519600000000, -0.0015268800000000 ] - [ 0.0025067700000000, -0.0000001900000000, -0.0016261000000000 ] - [ -0.0024107200000000, -0.0000103900000000, 0.0016165200000000 ] - [ -0.0026419500000000, -0.0000969700000000, 0.0014994000000000 ] - [ -0.0024107200000000, 0.0000103900000000, 0.0016165200000000 ] - [ -0.0026419500000000, 0.0000969700000000, 0.0014994000000000 ] - [ -0.0024281200000000, 0.0000000000000000, 0.0016174100000000 ] - [ -0.0025205700000000, 0.0000000000000000, 0.0016320500000000 ] - [ 0.0019274400000000, 0.0000000000000000, 0.0014034600000000 ] - [ 0.0025579100000000, 0.0000000000000000, 0.0016923300000000 ] - [ 0.0024209800000000, -0.0000860800000000, 0.0016523000000000 ] - [ 0.0025816600000000, -0.0000362700000000, 0.0016584000000000 ] - [ 0.0024209800000000, 0.0000860800000000, 0.0016523000000000 ] - [ 0.0025816600000000, 0.0000362700000000, 0.0016584000000000 ] - [ -0.0024956100000000, 0.0001054500000000, -0.0018881800000000 ] - [ -0.0024782300000000, 0.0000030100000000, -0.0017144000000000 ] - [ -0.0024956100000000, -0.0001054500000000, -0.0018881800000000 ] - [ -0.0024782300000000, -0.0000030100000000, -0.0017144000000000 ] - [ -0.0024841100000000, 0.0000000000000000, -0.0017372300000000 ] - [ -0.0024738600000000, 0.0000000000000000, -0.0017134300000000 ] - [ -0.0152539000000000, 0.0000000000000000, -0.0083977000000000 ] - [ -0.0153507600000000, 0.0000000000000000, -0.0082854900000000 ] - [ -0.0153101100000000, -0.0000260400000000, -0.0083024600000000 ] - [ -0.0153297900000000, -0.0000117600000000, -0.0082698100000000 ] - [ -0.0153101100000000, 0.0000260400000000, -0.0083024600000000 ] - [ -0.0153297900000000, 0.0000117600000000, -0.0082698100000000 ] - [ 0.0152386800000000, 0.0000922900000000, 0.0082475000000000 ] - [ 0.0156280100000000, 0.0002339300000000, 0.0081954900000000 ] - [ 0.0152386800000000, -0.0000922900000000, 0.0082475000000000 ] - [ 0.0156280100000000, -0.0002339300000000, 0.0081954900000000 ] - [ 0.0153057000000000, 0.0000000000000000, 0.0082629400000000 ] - [ 0.0153422000000000, 0.0000000000000000, 0.0082486300000000 ] - [ -0.0151550400000000, 0.0000000000000000, 0.0079689700000000 ] - [ -0.0153849700000000, 0.0000000000000000, 0.0081840400000000 ] - [ -0.0152706300000000, 0.0000474100000000, 0.0081547700000000 ] - [ -0.0153614100000000, 0.0000317400000000, 0.0082154500000000 ] - [ -0.0152706300000000, -0.0000474100000000, 0.0081547700000000 ] - [ -0.0153614100000000, -0.0000317400000000, 0.0082154500000000 ] - [ 0.0132070100000000, 0.0023641200000000, -0.0075696700000000 ] - [ 0.0152820500000000, -0.0000202700000000, -0.0081739400000000 ] - [ 0.0132070100000000, -0.0023641200000000, -0.0075696700000000 ] - [ 0.0152820500000000, 0.0000202700000000, -0.0081739400000000 ] - [ 0.0152239400000000, 0.0000000000000000, -0.0081084300000000 ] - [ 0.0153177200000000, 0.0000000000000000, -0.0081893600000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0007872500000000, 0.0000000000000000, -0.0000062500000000 ] - [ -0.0008177500000000, 0.0000000000000000, -0.0000986400000000 ] - [ -0.0007976200000000, 0.0000017100000000, 0.0000049400000000 ] - [ -0.0008085500000000, 0.0000316900000000, -0.0000334400000000 ] - [ -0.0007976200000000, -0.0000017100000000, 0.0000049400000000 ] - [ -0.0008085500000000, -0.0000316900000000, -0.0000334400000000 ] - [ 0.0016196300000000, 0.0006042900000000, 0.0007389000000000 ] - [ 0.0007925600000000, 0.0000443300000000, 0.0000037400000000 ] - [ 0.0016196300000000, -0.0006042900000000, 0.0007389000000000 ] - [ 0.0007925600000000, -0.0000443300000000, 0.0000037400000000 ] - [ 0.0007992800000000, 0.0000000000000000, 0.0001233800000000 ] - [ 0.0008307800000000, 0.0000000000000000, -0.0000197400000000 ] - [ -0.0008512700000000, 0.0000000000000000, -0.0002267600000000 ] - [ -0.0008441400000000, 0.0000000000000000, -0.0001138600000000 ] - [ -0.0008449100000000, -0.0000157500000000, -0.0001661200000000 ] - [ -0.0008383000000000, 0.0000031600000000, -0.0001035000000000 ] - [ -0.0008449100000000, 0.0000157500000000, -0.0001661200000000 ] - [ -0.0008383000000000, -0.0000031600000000, -0.0001035000000000 ] - [ 0.0001125500000000, 0.0007767800000000, 0.0003088200000000 ] - [ 0.0008719300000000, -0.0000020800000000, 0.0001208800000000 ] - [ 0.0001125500000000, -0.0007767800000000, 0.0003088200000000 ] - [ 0.0008719300000000, 0.0000020800000000, 0.0001208800000000 ] - [ 0.0007816600000000, 0.0000000000000000, 0.0001846200000000 ] - [ 0.0008603900000000, 0.0000000000000000, 0.0001031300000000 ] - [ -0.0033311800000000, 0.0000000000000000, -0.0013684200000000 ] - [ -0.0035557400000000, 0.0000000000000000, -0.0002555900000000 ] - [ -0.0035513600000000, -0.0001408400000000, -0.0003061000000000 ] - [ -0.0035417300000000, -0.0000129500000000, -0.0002502900000000 ] - [ -0.0035513600000000, 0.0001408400000000, -0.0003061000000000 ] - [ -0.0035417300000000, 0.0000129500000000, -0.0002502900000000 ] - [ 0.0034663900000000, 0.0000864900000000, 0.0001002000000000 ] - [ 0.0036094700000000, 0.0000103300000000, 0.0001220000000000 ] - [ 0.0034663900000000, -0.0000864900000000, 0.0001002000000000 ] - [ 0.0036094700000000, -0.0000103300000000, 0.0001220000000000 ] - [ 0.0035132700000000, 0.0000000000000000, 0.0001690000000000 ] - [ 0.0035603000000000, 0.0000000000000000, 0.0001724000000000 ] - [ -0.0032071400000000, 0.0000000000000000, 0.0002420400000000 ] - [ -0.0041231400000000, 0.0000000000000000, 0.0002395700000000 ] - [ -0.0033597000000000, 0.0000896500000000, 0.0001402500000000 ] - [ -0.0036231900000000, 0.0000516400000000, 0.0003101000000000 ] - [ -0.0033597000000000, -0.0000896500000000, 0.0001402500000000 ] - [ -0.0036231900000000, -0.0000516400000000, 0.0003101000000000 ] - [ 0.0035655500000000, -0.0004078100000000, -0.0007392200000000 ] - [ 0.0035421800000000, -0.0000010300000000, -0.0002198200000000 ] - [ 0.0035655500000000, 0.0004078100000000, -0.0007392200000000 ] - [ 0.0035421800000000, 0.0000010300000000, -0.0002198200000000 ] - [ 0.0035320600000000, 0.0000000000000000, -0.0003208800000000 ] - [ 0.0035496600000000, 0.0000000000000000, -0.0002226600000000 ] - [ -0.0138467600000000, 0.0000000000000000, 0.0342418900000000 ] - [ -0.0163292500000000, 0.0000000000000000, 0.0086678200000000 ] - [ -0.0168118300000000, 0.0003483500000000, 0.0089578100000000 ] - [ -0.0163171600000000, 0.0000151700000000, 0.0086675000000000 ] - [ -0.0168118300000000, -0.0003483500000000, 0.0089578100000000 ] - [ -0.0163171600000000, -0.0000151700000000, 0.0086675000000000 ] - [ 0.0163856200000000, -0.0000610600000000, -0.0087063600000000 ] - [ 0.0162123200000000, -0.0000036800000000, -0.0087127300000000 ] - [ 0.0163856200000000, 0.0000610600000000, -0.0087063600000000 ] - [ 0.0162123200000000, 0.0000036800000000, -0.0087127300000000 ] - [ 0.0163694200000000, 0.0000000000000000, -0.0086845500000000 ] - [ 0.0163065700000000, 0.0000000000000000, -0.0086666400000000 ] - [ -0.0165575400000000, 0.0000000000000000, -0.0084901200000000 ] - [ -0.0161344400000000, 0.0000000000000000, -0.0084902900000000 ] - [ -0.0163407600000000, -0.0000344600000000, -0.0085216100000000 ] - [ -0.0162045600000000, -0.0001491200000000, -0.0085218100000000 ] - [ -0.0163407600000000, 0.0000344600000000, -0.0085216100000000 ] - [ -0.0162045600000000, 0.0001491200000000, -0.0085218100000000 ] - [ 0.0163578100000000, 0.0000294200000000, 0.0084835300000000 ] - [ 0.0163187300000000, 0.0000122300000000, 0.0085770400000000 ] - [ 0.0163578100000000, -0.0000294200000000, 0.0084835300000000 ] - [ 0.0163187300000000, -0.0000122300000000, 0.0085770400000000 ] - [ 0.0163125700000000, 0.0000000000000000, 0.0085514600000000 ] - [ 0.0163196600000000, 0.0000000000000000, 0.0085816700000000 ] - [ 0.0032465900000000, 0.0000000000000000, -0.0212371700000000 ] - [ 0.0002850800000000, 0.0000000000000000, -0.0019477400000000 ] - [ 0.0003636800000000, 0.0002696300000000, -0.0022424000000000 ] - [ 0.0002704200000000, 0.0000041900000000, -0.0019455700000000 ] - [ 0.0003636800000000, -0.0002696300000000, -0.0022424000000000 ] - [ 0.0002704200000000, -0.0000041900000000, -0.0019455700000000 ] - [ -0.0002840500000000, 0.0000116700000000, 0.0020262100000000 ] - [ -0.0002651100000000, 0.0000002600000000, 0.0020024200000000 ] - [ -0.0002840500000000, -0.0000116700000000, 0.0020262100000000 ] - [ -0.0002651100000000, -0.0000002600000000, 0.0020024200000000 ] - [ -0.0002831700000000, 0.0000000000000000, 0.0019812600000000 ] - [ -0.0002720900000000, 0.0000000000000000, 0.0019510700000000 ] - [ 0.0004938000000000, 0.0000000000000000, 0.0016646600000000 ] - [ 0.0001718100000000, 0.0000000000000000, 0.0014739400000000 ] - [ 0.0002337500000000, 0.0000326500000000, 0.0016761100000000 ] - [ 0.0002198200000000, 0.0000464000000000, 0.0017561400000000 ] - [ 0.0002337500000000, -0.0000326500000000, 0.0016761100000000 ] - [ 0.0002198200000000, -0.0000464000000000, 0.0017561400000000 ] - [ -0.0002662300000000, 0.0000068100000000, -0.0016810500000000 ] - [ -0.0002710700000000, -0.0000000400000000, -0.0018221000000000 ] - [ -0.0002662300000000, -0.0000068100000000, -0.0016810500000000 ] - [ -0.0002710700000000, 0.0000000400000000, -0.0018221000000000 ] - [ -0.0002647400000000, 0.0000000000000000, -0.0017831900000000 ] - [ -0.0002734100000000, 0.0000000000000000, -0.0018273500000000 ] - [ -0.0071165600000000, 0.0000000000000000, -0.0066678900000000 ] - [ 0.0024850500000000, 0.0000000000000000, -0.0017313200000000 ] - [ 0.0025740900000000, -0.0001519900000000, -0.0018101200000000 ] - [ 0.0024566400000000, -0.0000002300000000, -0.0017104800000000 ] - [ 0.0025740900000000, 0.0001519900000000, -0.0018101200000000 ] - [ 0.0024566400000000, 0.0000002300000000, -0.0017104800000000 ] - [ -0.0025530400000000, 0.0000106900000000, 0.0017190800000000 ] - [ -0.0023219700000000, 0.0000963400000000, 0.0018356500000000 ] - [ -0.0025530400000000, -0.0000106900000000, 0.0017190800000000 ] - [ -0.0023219700000000, -0.0000963400000000, 0.0018356500000000 ] - [ -0.0025353000000000, 0.0000000000000000, 0.0017180300000000 ] - [ -0.0024425900000000, 0.0000000000000000, 0.0017036100000000 ] - [ 0.0030378200000000, 0.0000000000000000, 0.0019322200000000 ] - [ 0.0024053600000000, 0.0000000000000000, 0.0016430400000000 ] - [ 0.0025426200000000, 0.0000863400000000, 0.0016831200000000 ] - [ 0.0023813700000000, 0.0000363800000000, 0.0016771900000000 ] - [ 0.0025426200000000, -0.0000863400000000, 0.0016831200000000 ] - [ 0.0023813700000000, -0.0000363800000000, 0.0016771900000000 ] - [ -0.0024677800000000, -0.0001060500000000, -0.0014483600000000 ] - [ -0.0024850800000000, -0.0000029800000000, -0.0016223700000000 ] - [ -0.0024677800000000, 0.0001060500000000, -0.0014483600000000 ] - [ -0.0024850800000000, 0.0000029800000000, -0.0016223700000000 ] - [ -0.0024790900000000, 0.0000000000000000, -0.0015994500000000 ] - [ -0.0024894600000000, 0.0000000000000000, -0.0016233100000000 ] - [ -0.0153814500000000, 0.0000000000000000, -0.0080601100000000 ] - [ -0.0152843600000000, 0.0000000000000000, -0.0081726200000000 ] - [ -0.0153249900000000, 0.0000261800000000, -0.0081556200000000 ] - [ -0.0153053600000000, 0.0000118100000000, -0.0081883200000000 ] - [ -0.0153249900000000, -0.0000261800000000, -0.0081556200000000 ] - [ -0.0153053600000000, -0.0000118100000000, -0.0081883200000000 ] - [ 0.0153967700000000, -0.0000921600000000, 0.0082090200000000 ] - [ 0.0150065900000000, -0.0002345700000000, 0.0082614300000000 ] - [ 0.0153967700000000, 0.0000921600000000, 0.0082090200000000 ] - [ 0.0150065900000000, 0.0002345700000000, 0.0082614300000000 ] - [ 0.0153295200000000, 0.0000000000000000, 0.0081938400000000 ] - [ 0.0152932600000000, 0.0000000000000000, 0.0082082500000000 ] - [ -0.0154811400000000, 0.0000000000000000, 0.0084907400000000 ] - [ -0.0152502400000000, 0.0000000000000000, 0.0082730700000000 ] - [ -0.0153647100000000, -0.0000476000000000, 0.0083021600000000 ] - [ -0.0152738300000000, -0.0000316300000000, 0.0082416000000000 ] - [ -0.0153647100000000, 0.0000476000000000, 0.0083021600000000 ] - [ -0.0152738300000000, 0.0000316300000000, 0.0082416000000000 ] - [ 0.0174325100000000, -0.0023478000000000, -0.0088731800000000 ] - [ 0.0153532200000000, 0.0000202800000000, -0.0082842400000000 ] - [ 0.0174325100000000, 0.0023478000000000, -0.0088731800000000 ] - [ 0.0153532200000000, -0.0000202800000000, -0.0082842400000000 ] - [ 0.0154111100000000, 0.0000000000000000, -0.0083493800000000 ] - [ 0.0153175400000000, 0.0000000000000000, -0.0082688600000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0008436000000000, 0.0000000000000000, 0.0000666500000000 ] - [ -0.0008161000000000, 0.0000000000000000, 0.0000431900000000 ] - [ -0.0008450000000000, -0.0000044800000000, 0.0000703300000000 ] - [ -0.0008105200000000, 0.0000133400000000, 0.0000522000000000 ] - [ -0.0008450000000000, 0.0000044800000000, 0.0000703300000000 ] - [ -0.0008105200000000, -0.0000133400000000, 0.0000522000000000 ] - [ 0.0035171000000000, 0.0022314300000000, 0.0012412800000000 ] - [ 0.0006065200000000, 0.0000651100000000, -0.0000161600000000 ] - [ 0.0035171000000000, -0.0022314300000000, 0.0012412800000000 ] - [ 0.0006065200000000, -0.0000651100000000, -0.0000161600000000 ] - [ 0.0009819800000000, 0.0000000000000000, -0.0000825400000000 ] - [ 0.0006749200000000, 0.0000000000000000, -0.0000364200000000 ] - [ -0.0007492200000000, 0.0000000000000000, -0.0000506700000000 ] - [ -0.0008816800000000, 0.0000000000000000, -0.0000614900000000 ] - [ -0.0007631400000000, 0.0000030900000000, -0.0000405800000000 ] - [ -0.0008734400000000, 0.0000031600000000, -0.0000603200000000 ] - [ -0.0007631400000000, -0.0000030900000000, -0.0000405800000000 ] - [ -0.0008734400000000, -0.0000031600000000, -0.0000603200000000 ] - [ 0.0041938100000000, -0.0026012000000000, 0.0003138300000000 ] - [ 0.0005973100000000, -0.0000797800000000, 0.0000607400000000 ] - [ 0.0041938100000000, 0.0026012000000000, 0.0003138300000000 ] - [ 0.0005973100000000, 0.0000797800000000, 0.0000607400000000 ] - [ 0.0009537200000000, 0.0000000000000000, 0.0000661200000000 ] - [ 0.0006838000000000, 0.0000000000000000, 0.0000470900000000 ] - [ -0.0031172500000000, 0.0000000000000000, -0.0009802900000000 ] - [ -0.0037293400000000, 0.0000000000000000, -0.0002564400000000 ] - [ -0.0033196100000000, 0.0000660400000000, -0.0001903800000000 ] - [ -0.0036922900000000, -0.0000145200000000, -0.0002556900000000 ] - [ -0.0033196100000000, -0.0000660400000000, -0.0001903800000000 ] - [ -0.0036922900000000, 0.0000145200000000, -0.0002556900000000 ] - [ 0.0035102600000000, 0.0001137400000000, 0.0000701400000000 ] - [ 0.0034673500000000, -0.0000171600000000, 0.0003872600000000 ] - [ 0.0035102600000000, -0.0001137400000000, 0.0000701400000000 ] - [ 0.0034673500000000, 0.0000171600000000, 0.0003872600000000 ] - [ 0.0035373900000000, 0.0000000000000000, 0.0001538000000000 ] - [ 0.0035231800000000, 0.0000000000000000, 0.0003116000000000 ] - [ -0.0036319700000000, 0.0000000000000000, 0.0004375000000000 ] - [ -0.0037077900000000, 0.0000000000000000, 0.0000706700000000 ] - [ -0.0036303100000000, -0.0000825200000000, 0.0003298100000000 ] - [ -0.0035801600000000, 0.0000313900000000, 0.0001634100000000 ] - [ -0.0036303100000000, 0.0000825200000000, 0.0003298100000000 ] - [ -0.0035801600000000, -0.0000313900000000, 0.0001634100000000 ] - [ 0.0037800200000000, -0.0000926200000000, -0.0002345300000000 ] - [ 0.0034652400000000, 0.0000050600000000, -0.0002297200000000 ] - [ 0.0037800200000000, 0.0000926200000000, -0.0002345300000000 ] - [ 0.0034652400000000, -0.0000050600000000, -0.0002297200000000 ] - [ 0.0036464300000000, 0.0000000000000000, -0.0002441400000000 ] - [ 0.0034779700000000, 0.0000000000000000, -0.0002289500000000 ] - [ -0.0163183000000000, 0.0000000000000000, 0.0055529900000000 ] - [ -0.0164267800000000, 0.0000000000000000, 0.0086085300000000 ] - [ -0.0160495300000000, -0.0001678900000000, 0.0085300600000000 ] - [ -0.0164050300000000, 0.0000149300000000, 0.0086229300000000 ] - [ -0.0160495300000000, 0.0001678900000000, 0.0085300600000000 ] - [ -0.0164050300000000, -0.0000149300000000, 0.0086229300000000 ] - [ 0.0163280000000000, -0.0000032000000000, -0.0086096100000000 ] - [ 0.0162731200000000, -0.0000005900000000, -0.0086285200000000 ] - [ 0.0163280000000000, 0.0000032000000000, -0.0086096100000000 ] - [ 0.0162731200000000, 0.0000005900000000, -0.0086285200000000 ] - [ 0.0163097700000000, 0.0000000000000000, -0.0086107500000000 ] - [ 0.0163077500000000, 0.0000000000000000, -0.0086212500000000 ] - [ -0.0166000300000000, 0.0000000000000000, -0.0087235200000000 ] - [ -0.0165832700000000, 0.0000000000000000, -0.0084005300000000 ] - [ -0.0163330900000000, -0.0000409600000000, -0.0086741100000000 ] - [ -0.0164672000000000, 0.0001943300000000, -0.0086593400000000 ] - [ -0.0163330900000000, 0.0000409600000000, -0.0086741100000000 ] - [ -0.0164672000000000, -0.0001943300000000, -0.0086593400000000 ] - [ 0.0164073900000000, -0.0000225900000000, 0.0086271500000000 ] - [ 0.0162486700000000, 0.0000157100000000, 0.0086223900000000 ] - [ 0.0164073900000000, 0.0000225900000000, 0.0086271500000000 ] - [ 0.0162486700000000, -0.0000157100000000, 0.0086223900000000 ] - [ 0.0163997400000000, 0.0000000000000000, 0.0086280900000000 ] - [ 0.0162556300000000, 0.0000000000000000, 0.0086205500000000 ] - [ -0.0155585100000000, 0.0000000000000000, -0.0009209900000000 ] - [ 0.0004484500000000, 0.0000000000000000, -0.0018786000000000 ] - [ -0.0001152600000000, -0.0000064500000000, -0.0018551800000000 ] - [ 0.0004072800000000, 0.0000001100000000, -0.0018816500000000 ] - [ -0.0001152600000000, 0.0000064500000000, -0.0018551800000000 ] - [ 0.0004072800000000, -0.0000001100000000, -0.0018816500000000 ] - [ -0.0002945100000000, -0.0000039000000000, 0.0018911800000000 ] - [ -0.0002417900000000, 0.0000051500000000, 0.0018773400000000 ] - [ -0.0002945100000000, 0.0000039000000000, 0.0018911800000000 ] - [ -0.0002417900000000, -0.0000051500000000, 0.0018773400000000 ] - [ -0.0002821300000000, 0.0000000000000000, 0.0018655400000000 ] - [ -0.0002515000000000, 0.0000000000000000, 0.0018769600000000 ] - [ 0.0007366500000000, 0.0000000000000000, 0.0018183500000000 ] - [ 0.0007343900000000, 0.0000000000000000, 0.0019100800000000 ] - [ 0.0004413200000000, 0.0001798100000000, 0.0018310900000000 ] - [ 0.0004408300000000, -0.0001777500000000, 0.0019020000000000 ] - [ 0.0004413200000000, -0.0001798100000000, 0.0018310900000000 ] - [ 0.0004408300000000, 0.0001777500000000, 0.0019020000000000 ] - [ -0.0003295900000000, 0.0000077800000000, -0.0018912900000000 ] - [ -0.0002222400000000, -0.0000029700000000, -0.0018792100000000 ] - [ -0.0003295900000000, -0.0000077800000000, -0.0018912900000000 ] - [ -0.0002222400000000, 0.0000029700000000, -0.0018792100000000 ] - [ -0.0003246100000000, 0.0000000000000000, -0.0019060300000000 ] - [ -0.0002267600000000, 0.0000000000000000, -0.0018780000000000 ] - [ 0.0030865800000000, 0.0000000000000000, -0.0003646500000000 ] - [ 0.0026455000000000, 0.0000000000000000, -0.0017160800000000 ] - [ 0.0022424400000000, -0.0000985200000000, -0.0015632200000000 ] - [ 0.0026018600000000, 0.0000026900000000, -0.0016877900000000 ] - [ 0.0022424400000000, 0.0000985200000000, -0.0015632200000000 ] - [ 0.0026018600000000, -0.0000026900000000, -0.0016877900000000 ] - [ -0.0024440500000000, -0.0000060800000000, 0.0016141900000000 ] - [ -0.0024383000000000, 0.0000422800000000, 0.0017329000000000 ] - [ -0.0024440500000000, 0.0000060800000000, 0.0016141900000000 ] - [ -0.0024383000000000, -0.0000422800000000, 0.0017329000000000 ] - [ -0.0024532800000000, 0.0000000000000000, 0.0016282000000000 ] - [ -0.0024780400000000, 0.0000000000000000, 0.0016864400000000 ] - [ 0.0034948000000000, 0.0000000000000000, 0.0030294900000000 ] - [ 0.0026509200000000, 0.0000000000000000, 0.0015815400000000 ] - [ 0.0024483000000000, 0.0001274400000000, 0.0017900500000000 ] - [ 0.0026516500000000, -0.0000570500000000, 0.0016109200000000 ] - [ 0.0024483000000000, -0.0001274400000000, 0.0017900500000000 ] - [ 0.0026516500000000, 0.0000570500000000, 0.0016109200000000 ] - [ -0.0026548600000000, 0.0000287400000000, -0.0016809300000000 ] - [ -0.0023698000000000, 0.0000011700000000, -0.0016873300000000 ] - [ -0.0026548600000000, -0.0000287400000000, -0.0016809300000000 ] - [ -0.0023698000000000, -0.0000011700000000, -0.0016873300000000 ] - [ -0.0025916200000000, 0.0000000000000000, -0.0016607500000000 ] - [ -0.0023869000000000, 0.0000000000000000, -0.0016857700000000 ] - [ -0.0153706400000000, 0.0000000000000000, -0.0083194000000000 ] - [ -0.0152222500000000, 0.0000000000000000, -0.0081756900000000 ] - [ -0.0153816000000000, -0.0000242600000000, -0.0082842900000000 ] - [ -0.0152513300000000, 0.0000140200000000, -0.0081954300000000 ] - [ -0.0153816000000000, 0.0000242600000000, -0.0082842900000000 ] - [ -0.0152513300000000, -0.0000140200000000, -0.0081954300000000 ] - [ 0.0154511000000000, -0.0000953000000000, 0.0082859900000000 ] - [ 0.0156180600000000, 0.0004124500000000, 0.0079328000000000 ] - [ 0.0154511000000000, 0.0000953000000000, 0.0082859900000000 ] - [ 0.0156180600000000, -0.0004124500000000, 0.0079328000000000 ] - [ 0.0153888500000000, 0.0000000000000000, 0.0082692700000000 ] - [ 0.0152784900000000, 0.0000000000000000, 0.0082023900000000 ] - [ -0.0153747200000000, 0.0000000000000000, 0.0082003800000000 ] - [ -0.0152625400000000, 0.0000000000000000, 0.0082390600000000 ] - [ -0.0153562800000000, 0.0000294200000000, 0.0081781800000000 ] - [ -0.0152725500000000, -0.0000134400000000, 0.0082298000000000 ] - [ -0.0153562800000000, -0.0000294200000000, 0.0081781800000000 ] - [ -0.0152725500000000, 0.0000134400000000, 0.0082298000000000 ] - [ 0.0156951900000000, -0.0014400500000000, -0.0093897200000000 ] - [ 0.0154376800000000, 0.0000227300000000, -0.0082109400000000 ] - [ 0.0156951900000000, 0.0014400500000000, -0.0093897200000000 ] - [ 0.0154376800000000, -0.0000227300000000, -0.0082109400000000 ] - [ 0.0151899600000000, 0.0000000000000000, -0.0082174600000000 ] - [ 0.0154038500000000, 0.0000000000000000, -0.0082180900000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0008024200000000, 0.0000000000000000, 0.0000504700000000 ] - [ -0.0008302100000000, 0.0000000000000000, 0.0000738400000000 ] - [ -0.0008009700000000, 0.0000046300000000, 0.0000469700000000 ] - [ -0.0008357400000000, -0.0000132600000000, 0.0000649200000000 ] - [ -0.0008009700000000, -0.0000046300000000, 0.0000469700000000 ] - [ -0.0008357400000000, 0.0000132600000000, 0.0000649200000000 ] - [ -0.0019271300000000, -0.0023099000000000, -0.0014011700000000 ] - [ 0.0010394600000000, -0.0000648700000000, -0.0001010800000000 ] - [ -0.0019271300000000, 0.0023099000000000, -0.0014011700000000 ] - [ 0.0010394600000000, 0.0000648700000000, -0.0001010800000000 ] - [ 0.0006629300000000, 0.0000000000000000, -0.0000349500000000 ] - [ 0.0009711700000000, 0.0000000000000000, -0.0000808600000000 ] - [ -0.0008969800000000, 0.0000000000000000, -0.0000667700000000 ] - [ -0.0007645200000000, 0.0000000000000000, -0.0000559500000000 ] - [ -0.0008830700000000, -0.0000030300000000, -0.0000768500000000 ] - [ -0.0007727700000000, -0.0000031600000000, -0.0000571100000000 ] - [ -0.0008830700000000, 0.0000030300000000, -0.0000768500000000 ] - [ -0.0007727700000000, 0.0000031600000000, -0.0000571100000000 ] - [ -0.0024557300000000, 0.0024992100000000, -0.0001862100000000 ] - [ 0.0010495200000000, 0.0000802100000000, 0.0000563800000000 ] - [ -0.0024557300000000, -0.0024992100000000, -0.0001862100000000 ] - [ 0.0010495200000000, -0.0000802100000000, 0.0000563800000000 ] - [ 0.0006936400000000, 0.0000000000000000, 0.0000512900000000 ] - [ 0.0009625500000000, 0.0000000000000000, 0.0000700900000000 ] - [ -0.0039656500000000, 0.0000000000000000, 0.0005087400000000 ] - [ -0.0033582500000000, 0.0000000000000000, -0.0002115500000000 ] - [ -0.0037686400000000, -0.0000656800000000, -0.0002769500000000 ] - [ -0.0033953600000000, 0.0000145300000000, -0.0002122700000000 ] - [ -0.0037686400000000, 0.0000656800000000, -0.0002769500000000 ] - [ -0.0033953600000000, -0.0000145300000000, -0.0002122700000000 ] - [ 0.0035777600000000, -0.0001139600000000, 0.0003977100000000 ] - [ 0.0036203700000000, 0.0000171200000000, 0.0000800300000000 ] - [ 0.0035777600000000, 0.0001139600000000, 0.0003977100000000 ] - [ 0.0036203700000000, -0.0000171200000000, 0.0000800300000000 ] - [ 0.0035504400000000, 0.0000000000000000, 0.0003137700000000 ] - [ 0.0035644900000000, 0.0000000000000000, 0.0001558400000000 ] - [ -0.0034546900000000, 0.0000000000000000, 0.0000304900000000 ] - [ -0.0033810500000000, 0.0000000000000000, 0.0003980500000000 ] - [ -0.0034567100000000, 0.0000829900000000, 0.0001380200000000 ] - [ -0.0035078500000000, -0.0000313800000000, 0.0003047700000000 ] - [ -0.0034567100000000, -0.0000829900000000, 0.0001380200000000 ] - [ -0.0035078500000000, 0.0000313800000000, 0.0003047700000000 ] - [ 0.0033076100000000, 0.0000918400000000, -0.0002342000000000 ] - [ 0.0036226500000000, -0.0000050500000000, -0.0002379000000000 ] - [ 0.0033076100000000, -0.0000918400000000, -0.0002342000000000 ] - [ 0.0036226500000000, 0.0000050500000000, -0.0002379000000000 ] - [ 0.0034411600000000, 0.0000000000000000, -0.0002237700000000 ] - [ 0.0036098900000000, 0.0000000000000000, -0.0002387100000000 ] - [ -0.0163672800000000, 0.0000000000000000, 0.0117181800000000 ] - [ -0.0162155300000000, 0.0000000000000000, 0.0086318600000000 ] - [ -0.0165932600000000, 0.0001688100000000, 0.0087094600000000 ] - [ -0.0162372700000000, -0.0000149600000000, 0.0086173600000000 ] - [ -0.0165932600000000, -0.0001688100000000, 0.0087094600000000 ] - [ -0.0162372700000000, 0.0000149600000000, 0.0086173600000000 ] - [ 0.0163145800000000, 0.0000031000000000, -0.0086308000000000 ] - [ 0.0163690000000000, 0.0000006100000000, -0.0086119400000000 ] - [ 0.0163145800000000, -0.0000031000000000, -0.0086308000000000 ] - [ 0.0163690000000000, -0.0000006100000000, -0.0086119400000000 ] - [ 0.0163327900000000, 0.0000000000000000, -0.0086296400000000 ] - [ 0.0163345900000000, 0.0000000000000000, -0.0086190700000000 ] - [ -0.0160413500000000, 0.0000000000000000, -0.0085192700000000 ] - [ -0.0160573600000000, 0.0000000000000000, -0.0088412400000000 ] - [ -0.0163083000000000, 0.0000409500000000, -0.0085665200000000 ] - [ -0.0161743900000000, -0.0001947300000000, -0.0085805500000000 ] - [ -0.0163083000000000, -0.0000409500000000, -0.0085665200000000 ] - [ -0.0161743900000000, 0.0001947300000000, -0.0085805500000000 ] - [ 0.0162336800000000, 0.0000225200000000, 0.0086130000000000 ] - [ 0.0163927500000000, -0.0000157100000000, 0.0086177900000000 ] - [ 0.0162336800000000, -0.0000225200000000, 0.0086130000000000 ] - [ 0.0163927500000000, 0.0000157100000000, 0.0086177900000000 ] - [ 0.0162414600000000, 0.0000000000000000, 0.0086119900000000 ] - [ 0.0163856800000000, 0.0000000000000000, 0.0086195000000000 ] - [ 0.0160655200000000, 0.0000000000000000, -0.0028298800000000 ] - [ 0.0000968700000000, 0.0000000000000000, -0.0018865000000000 ] - [ 0.0006608100000000, 0.0000040300000000, -0.0019095900000000 ] - [ 0.0001380000000000, -0.0000000700000000, -0.0018834400000000 ] - [ 0.0006608100000000, -0.0000040300000000, -0.0019095900000000 ] - [ 0.0001380000000000, 0.0000000700000000, -0.0018834400000000 ] - [ -0.0002509400000000, 0.0000039300000000, 0.0018739100000000 ] - [ -0.0003034800000000, -0.0000051100000000, 0.0018877900000000 ] - [ -0.0002509400000000, -0.0000039300000000, 0.0018739100000000 ] - [ -0.0003034800000000, 0.0000051100000000, 0.0018877900000000 ] - [ -0.0002633300000000, 0.0000000000000000, 0.0018996100000000 ] - [ -0.0002938400000000, 0.0000000000000000, 0.0018880500000000 ] - [ -0.0001895000000000, 0.0000000000000000, 0.0019468100000000 ] - [ -0.0001917700000000, 0.0000000000000000, 0.0018538200000000 ] - [ 0.0001046400000000, -0.0001791700000000, 0.0019331400000000 ] - [ 0.0001041700000000, 0.0001782600000000, 0.0018630700000000 ] - [ 0.0001046400000000, 0.0001791700000000, 0.0019331400000000 ] - [ 0.0001041700000000, -0.0001782600000000, 0.0018630700000000 ] - [ -0.0002157300000000, -0.0000077200000000, -0.0018735100000000 ] - [ -0.0003232400000000, 0.0000029700000000, -0.0018856500000000 ] - [ -0.0002157300000000, 0.0000077200000000, -0.0018735100000000 ] - [ -0.0003232400000000, -0.0000029700000000, -0.0018856500000000 ] - [ -0.0002207000000000, 0.0000000000000000, -0.0018588900000000 ] - [ -0.0003187400000000, 0.0000000000000000, -0.0018868700000000 ] - [ 0.0018846500000000, 0.0000000000000000, -0.0029669900000000 ] - [ 0.0023148400000000, 0.0000000000000000, -0.0016230200000000 ] - [ 0.0027188200000000, 0.0000985700000000, -0.0017759500000000 ] - [ 0.0023584000000000, -0.0000026700000000, -0.0016512000000000 ] - [ 0.0027188200000000, -0.0000985700000000, -0.0017759500000000 ] - [ 0.0023584000000000, 0.0000026700000000, -0.0016512000000000 ] - [ -0.0025166600000000, 0.0000061000000000, 0.0017245300000000 ] - [ -0.0025212500000000, -0.0000420800000000, 0.0016059800000000 ] - [ -0.0025166600000000, -0.0000061000000000, 0.0017245300000000 ] - [ -0.0025212500000000, 0.0000420800000000, 0.0016059800000000 ] - [ -0.0025073700000000, 0.0000000000000000, 0.0017105100000000 ] - [ -0.0024821900000000, 0.0000000000000000, 0.0016521900000000 ] - [ 0.0014739900000000, 0.0000000000000000, 0.0003249000000000 ] - [ 0.0023094800000000, 0.0000000000000000, 0.0017574400000000 ] - [ 0.0025117600000000, -0.0001274800000000, 0.0015490400000000 ] - [ 0.0023084100000000, 0.0000571900000000, 0.0017280100000000 ] - [ 0.0025117600000000, 0.0001274800000000, 0.0015490400000000 ] - [ 0.0023084100000000, -0.0000571900000000, 0.0017280100000000 ] - [ -0.0023054400000000, -0.0000286800000000, -0.0016580400000000 ] - [ -0.0025906900000000, -0.0000011800000000, -0.0016512800000000 ] - [ -0.0023054400000000, 0.0000286800000000, -0.0016580400000000 ] - [ -0.0025906900000000, 0.0000011800000000, -0.0016512800000000 ] - [ -0.0023688300000000, 0.0000000000000000, -0.0016779000000000 ] - [ -0.0025735900000000, 0.0000000000000000, -0.0016528700000000 ] - [ -0.0152666400000000, 0.0000000000000000, -0.0081393100000000 ] - [ -0.0154156600000000, 0.0000000000000000, -0.0082833500000000 ] - [ -0.0152557000000000, 0.0000242800000000, -0.0081743300000000 ] - [ -0.0153862400000000, -0.0000140400000000, -0.0082632800000000 ] - [ -0.0152557000000000, -0.0000242800000000, -0.0081743300000000 ] - [ -0.0153862400000000, 0.0000140400000000, -0.0082632800000000 ] - [ 0.0151860000000000, 0.0000956500000000, 0.0081729200000000 ] - [ 0.0150165000000000, -0.0004166900000000, 0.0085287300000000 ] - [ 0.0151860000000000, -0.0000956500000000, 0.0081729200000000 ] - [ 0.0150165000000000, 0.0004166900000000, 0.0085287300000000 ] - [ 0.0152486200000000, 0.0000000000000000, 0.0081895200000000 ] - [ 0.0153593100000000, 0.0000000000000000, 0.0082563700000000 ] - [ -0.0152631100000000, 0.0000000000000000, 0.0082586200000000 ] - [ -0.0153748200000000, 0.0000000000000000, 0.0082195900000000 ] - [ -0.0152813600000000, -0.0000296300000000, 0.0082807100000000 ] - [ -0.0153648400000000, 0.0000133400000000, 0.0082288100000000 ] - [ -0.0152813600000000, 0.0000296300000000, 0.0082807100000000 ] - [ -0.0153648400000000, -0.0000133400000000, 0.0082288100000000 ] - [ 0.0149382000000000, 0.0014397500000000, -0.0070662700000000 ] - [ 0.0151997700000000, -0.0000228300000000, -0.0082480700000000 ] - [ 0.0149382000000000, -0.0014397500000000, -0.0070662700000000 ] - [ 0.0151997700000000, 0.0000228300000000, -0.0082480700000000 ] - [ 0.0154473700000000, 0.0000000000000000, -0.0082411300000000 ] - [ 0.0152336700000000, 0.0000000000000000, -0.0082408100000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008231300000000, 0.0000255000000000, 0.0000583500000000 ] - [ -0.0008232000000000, 0.0000224000000000, 0.0000582000000000 ] - [ -0.0008291300000000, -0.0000125300000000, 0.0000644000000000 ] - [ -0.0008159800000000, -0.0000108500000000, 0.0000576500000000 ] - [ -0.0008170700000000, -0.0000127100000000, 0.0000524600000000 ] - [ -0.0008303300000000, -0.0000110200000000, 0.0000589700000000 ] - [ 0.0031784500000000, 0.0027322000000000, 0.0013289400000000 ] - [ 0.0008612700000000, 0.0000415200000000, -0.0000653300000000 ] - [ -0.0016129900000000, 0.0027940000000000, -0.0014901000000000 ] - [ 0.0007849700000000, 0.0000418700000000, -0.0000513100000000 ] - [ 0.0008237800000000, -0.0003781500000000, -0.0000578800000000 ] - [ 0.0008230100000000, -0.0000844600000000, -0.0000583300000000 ] - [ -0.0008231800000000, 0.0000385000000000, -0.0000584800000000 ] - [ -0.0008231900000000, 0.0000124200000000, -0.0000584500000000 ] - [ -0.0008219800000000, -0.0000186500000000, -0.0000569800000000 ] - [ -0.0008217500000000, -0.0000062000000000, -0.0000596900000000 ] - [ -0.0008243700000000, -0.0000187600000000, -0.0000600000000000 ] - [ -0.0008246200000000, -0.0000062400000000, -0.0000571900000000 ] - [ -0.0016586900000000, 0.0025932900000000, -0.0001644100000000 ] - [ 0.0007746200000000, 0.0000469500000000, 0.0000548900000000 ] - [ 0.0033926600000000, 0.0026509400000000, 0.0002897700000000 ] - [ 0.0008719200000000, 0.0000473200000000, 0.0000620500000000 ] - [ 0.0008223700000000, -0.0003618400000000, 0.0000584100000000 ] - [ 0.0008233100000000, -0.0000957000000000, 0.0000583600000000 ] - [ -0.0035426500000000, 0.0001777500000000, -0.0002416600000000 ] - [ -0.0035442500000000, 0.0000239500000000, -0.0002338900000000 ] - [ -0.0034921100000000, -0.0001779100000000, -0.0004765500000000 ] - [ -0.0035358900000000, -0.0000113400000000, -0.0002422300000000 ] - [ -0.0035958900000000, -0.0001781200000000, 0.0000076600000000 ] - [ -0.0035525800000000, -0.0000114000000000, -0.0002256100000000 ] - [ 0.0035709200000000, 0.0000364100000000, 0.0002688600000000 ] - [ 0.0034995400000000, 0.0000251200000000, 0.0002996500000000 ] - [ 0.0035175400000000, 0.0000369300000000, 0.0001987300000000 ] - [ 0.0035888400000000, 0.0000252400000000, 0.0001679700000000 ] - [ 0.0035441200000000, -0.0000763600000000, 0.0002336500000000 ] - [ 0.0035442500000000, -0.0000433700000000, 0.0002337200000000 ] - [ -0.0035438800000000, 0.0002462900000000, 0.0002337400000000 ] - [ -0.0035448900000000, 0.0000347700000000, 0.0002339500000000 ] - [ -0.0036547800000000, -0.0001319000000000, 0.0003148300000000 ] - [ -0.0034830000000000, -0.0000193500000000, 0.0002846900000000 ] - [ -0.0034332800000000, -0.0001324000000000, 0.0001531300000000 ] - [ -0.0036053700000000, -0.0000195400000000, 0.0001835200000000 ] - [ 0.0034661600000000, 0.0000705200000000, -0.0003607400000000 ] - [ 0.0035526500000000, 0.0000084700000000, -0.0002374300000000 ] - [ 0.0036226000000000, 0.0000719300000000, -0.0001079400000000 ] - [ 0.0035357600000000, 0.0000085600000000, -0.0002302100000000 ] - [ 0.0035441800000000, -0.0001213400000000, -0.0002337000000000 ] - [ 0.0035442200000000, -0.0000165300000000, -0.0002337900000000 ] - [ -0.0163267400000000, -0.0004923800000000, 0.0086562000000000 ] - [ -0.0163209600000000, 0.0000209200000000, 0.0086212100000000 ] - [ -0.0163352700000000, -0.0003360200000000, 0.0088924800000000 ] - [ -0.0163377200000000, -0.0000087300000000, 0.0086253100000000 ] - [ -0.0163072500000000, -0.0003365600000000, 0.0083529200000000 ] - [ -0.0163042500000000, -0.0000088900000000, 0.0086172300000000 ] - [ 0.0163067600000000, 0.0000309000000000, -0.0086330000000000 ] - [ 0.0163056500000000, 0.0000011500000000, -0.0086215900000000 ] - [ 0.0163352400000000, 0.0000311000000000, -0.0086095000000000 ] - [ 0.0163358900000000, 0.0000012000000000, -0.0086209700000000 ] - [ 0.0163210300000000, -0.0000663100000000, -0.0086212700000000 ] - [ 0.0163210000000000, -0.0000062800000000, -0.0086212100000000 ] - [ -0.0163199700000000, 0.0000432600000000, -0.0086211300000000 ] - [ -0.0163205400000000, 0.0002887500000000, -0.0086209000000000 ] - [ -0.0164193200000000, -0.0000243000000000, -0.0086680700000000 ] - [ -0.0162839100000000, -0.0001532100000000, -0.0086545100000000 ] - [ -0.0162219200000000, -0.0000243200000000, -0.0085744800000000 ] - [ -0.0163569300000000, -0.0001537600000000, -0.0085883200000000 ] - [ 0.0162887000000000, 0.0000188400000000, 0.0086277600000000 ] - [ 0.0163129400000000, 0.0000067200000000, 0.0086208000000000 ] - [ 0.0163520500000000, 0.0000189200000000, 0.0086144200000000 ] - [ 0.0163277800000000, 0.0000067600000000, 0.0086215300000000 ] - [ 0.0163204600000000, -0.0000343000000000, 0.0086211000000000 ] - [ 0.0163203600000000, -0.0000103300000000, 0.0086211400000000 ] - [ 0.0002696200000000, -0.0136598500000000, -0.0018826300000000 ] - [ 0.0002724900000000, -0.0000207900000000, -0.0018843000000000 ] - [ 0.0002776800000000, 0.0009751900000000, -0.0019997700000000 ] - [ 0.0002724400000000, 0.0000110600000000, -0.0018885200000000 ] - [ 0.0002673000000000, 0.0009636100000000, -0.0017701200000000 ] - [ 0.0002725200000000, 0.0000112000000000, -0.0018801000000000 ] - [ -0.0002764400000000, -0.0000109500000000, 0.0018805600000000 ] - [ -0.0002673000000000, -0.0000044400000000, 0.0018766500000000 ] - [ -0.0002685100000000, -0.0000110000000000, 0.0018880500000000 ] - [ -0.0002775600000000, -0.0000044900000000, 0.0018920200000000 ] - [ -0.0002724800000000, 0.0000233000000000, 0.0018843600000000 ] - [ -0.0002724800000000, 0.0000088900000000, 0.0018843100000000 ] - [ 0.0002720100000000, -0.0002545900000000, 0.0018840700000000 ] - [ 0.0002729700000000, -0.0002545900000000, 0.0018841700000000 ] - [ 0.0004506600000000, 0.0001839700000000, 0.0018544700000000 ] - [ 0.0000926400000000, 0.0001839900000000, 0.0019229800000000 ] - [ 0.0000947800000000, 0.0001837600000000, 0.0019133600000000 ] - [ 0.0004515600000000, 0.0001836400000000, 0.0018457200000000 ] - [ -0.0002647000000000, -0.0000100500000000, -0.0018788500000000 ] - [ -0.0002753800000000, -0.0000038000000000, -0.0018794000000000 ] - [ -0.0002802900000000, -0.0000101500000000, -0.0018892600000000 ] - [ -0.0002696200000000, -0.0000038200000000, -0.0018888300000000 ] - [ -0.0002724900000000, 0.0000221900000000, -0.0018841900000000 ] - [ -0.0002725000000000, 0.0000068600000000, -0.0018841300000000 ] - [ 0.0024849700000000, -0.0005434300000000, -0.0016597200000000 ] - [ 0.0024804700000000, -0.0000185500000000, -0.0016678500000000 ] - [ 0.0024316900000000, 0.0001624800000000, -0.0018506500000000 ] - [ 0.0025171400000000, 0.0000087600000000, -0.0016816500000000 ] - [ 0.0025295500000000, 0.0001628400000000, -0.0014860500000000 ] - [ 0.0024440200000000, 0.0000088400000000, -0.0016541800000000 ] - [ -0.0025072400000000, -0.0000239200000000, 0.0017002100000000 ] - [ -0.0024658300000000, -0.0000213700000000, 0.0016786800000000 ] - [ -0.0024540000000000, -0.0000239800000000, 0.0016354800000000 ] - [ -0.0024944900000000, -0.0000219500000000, 0.0016574300000000 ] - [ -0.0024805800000000, 0.0000513000000000, 0.0016678400000000 ] - [ -0.0024805500000000, 0.0000368900000000, 0.0016677800000000 ] - [ 0.0024786500000000, -0.0003518400000000, 0.0016656200000000 ] - [ 0.0024804900000000, -0.0000737900000000, 0.0016678500000000 ] - [ 0.0026052400000000, 0.0001270100000000, 0.0018057000000000 ] - [ 0.0024030600000000, 0.0000463300000000, 0.0017020800000000 ] - [ 0.0023563300000000, 0.0001271700000000, 0.0015304500000000 ] - [ 0.0025577500000000, 0.0000464600000000, 0.0016338500000000 ] - [ -0.0024780800000000, -0.0000340200000000, -0.0017333100000000 ] - [ -0.0024726000000000, -0.0000074400000000, -0.0016719300000000 ] - [ -0.0024830800000000, -0.0000341900000000, -0.0016022000000000 ] - [ -0.0024883900000000, -0.0000074900000000, -0.0016637000000000 ] - [ -0.0024806500000000, 0.0000626300000000, -0.0016676000000000 ] - [ -0.0024805200000000, 0.0000149200000000, -0.0016678000000000 ] - [ -0.0153172800000000, -0.0000585100000000, -0.0082283800000000 ] - [ -0.0153173600000000, -0.0000187400000000, -0.0082284400000000 ] - [ -0.0153202600000000, 0.0000313700000000, -0.0081984400000000 ] - [ -0.0153112600000000, 0.0000095200000000, -0.0082221500000000 ] - [ -0.0153143200000000, 0.0000315300000000, -0.0082582600000000 ] - [ -0.0153233400000000, 0.0000095900000000, -0.0082346400000000 ] - [ 0.0152935400000000, -0.0000574500000000, 0.0082130200000000 ] - [ 0.0156707800000000, 0.0000673400000000, 0.0080021400000000 ] - [ 0.0153410300000000, -0.0000578500000000, 0.0082439000000000 ] - [ 0.0149622200000000, 0.0000674800000000, 0.0084556900000000 ] - [ 0.0153173900000000, 0.0001068600000000, 0.0082284800000000 ] - [ 0.0153170600000000, 0.0001744700000000, 0.0082286200000000 ] - [ -0.0153175000000000, -0.0000858300000000, 0.0082285500000000 ] - [ -0.0153172400000000, -0.0000191000000000, 0.0082284500000000 ] - [ -0.0153043000000000, 0.0000555400000000, 0.0081684000000000 ] - [ -0.0153182300000000, 0.0000094400000000, 0.0082227900000000 ] - [ -0.0153304300000000, 0.0000556700000000, 0.0082885600000000 ] - [ -0.0153162700000000, 0.0000095700000000, 0.0082340100000000 ] - [ 0.0143048600000000, 0.0012262000000000, -0.0069402300000000 ] - [ 0.0153254500000000, -0.0000209300000000, -0.0082260800000000 ] - [ 0.0163291300000000, 0.0012210000000000, -0.0095166500000000 ] - [ 0.0153092400000000, -0.0000211300000000, -0.0082308600000000 ] - [ 0.0153174300000000, 0.0003496500000000, -0.0082287700000000 ] - [ 0.0153172800000000, 0.0000421800000000, -0.0082284800000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0007866100000000, 0.0000000000000000, -0.0000509500000000 ] - [ -0.0008049600000000, 0.0000000000000000, -0.0001616800000000 ] - [ -0.0007858600000000, -0.0000042500000000, -0.0000308600000000 ] - [ -0.0007976700000000, 0.0000211200000000, -0.0000669200000000 ] - [ -0.0007858600000000, 0.0000042500000000, -0.0000308600000000 ] - [ -0.0007976700000000, -0.0000211200000000, -0.0000669200000000 ] - [ 0.0022264000000000, 0.0014065100000000, 0.0014859800000000 ] - [ 0.0008218200000000, 0.0000082200000000, 0.0000322100000000 ] - [ 0.0022264000000000, -0.0014065100000000, 0.0014859800000000 ] - [ 0.0008218200000000, -0.0000082200000000, 0.0000322100000000 ] - [ 0.0007740000000000, 0.0000000000000000, 0.0001406800000000 ] - [ 0.0008281500000000, 0.0000000000000000, 0.0000020000000000 ] - [ -0.0008762100000000, 0.0000000000000000, -0.0003091400000000 ] - [ -0.0008402800000000, 0.0000000000000000, -0.0001277700000000 ] - [ -0.0008708900000000, -0.0000538700000000, -0.0002382500000000 ] - [ -0.0008349700000000, -0.0000002700000000, -0.0001182800000000 ] - [ -0.0008708900000000, 0.0000538700000000, -0.0002382500000000 ] - [ -0.0008349700000000, 0.0000002700000000, -0.0001182800000000 ] - [ 0.0008181800000000, 0.0000800800000000, 0.0006875200000000 ] - [ 0.0008695300000000, -0.0000022800000000, 0.0001711200000000 ] - [ 0.0008181800000000, -0.0000800800000000, 0.0006875200000000 ] - [ 0.0008695300000000, 0.0000022800000000, 0.0001711200000000 ] - [ 0.0008425300000000, 0.0000000000000000, 0.0002177200000000 ] - [ 0.0008444400000000, 0.0000000000000000, 0.0001446300000000 ] - [ -0.0043299700000000, 0.0000000000000000, 0.0039103300000000 ] - [ -0.0035613500000000, 0.0000000000000000, -0.0002443900000000 ] - [ -0.0035432700000000, -0.0002787300000000, -0.0002754700000000 ] - [ -0.0035411900000000, -0.0000173200000000, -0.0002444200000000 ] - [ -0.0035432700000000, 0.0002787300000000, -0.0002754700000000 ] - [ -0.0035411900000000, 0.0000173200000000, -0.0002444200000000 ] - [ 0.0034013000000000, 0.0001757600000000, 0.0000418900000000 ] - [ 0.0036556000000000, 0.0000254500000000, 0.0001026900000000 ] - [ 0.0034013000000000, -0.0001757600000000, 0.0000418900000000 ] - [ 0.0036556000000000, -0.0000254500000000, 0.0001026900000000 ] - [ 0.0035029200000000, 0.0000000000000000, 0.0001540600000000 ] - [ 0.0035733100000000, 0.0000000000000000, 0.0001730000000000 ] - [ -0.0031714100000000, 0.0000000000000000, 0.0001590200000000 ] - [ -0.0039681400000000, 0.0000000000000000, 0.0003027200000000 ] - [ -0.0032644000000000, 0.0001862200000000, 0.0001989100000000 ] - [ -0.0036456700000000, 0.0000426500000000, 0.0002914100000000 ] - [ -0.0032644000000000, -0.0001862200000000, 0.0001989100000000 ] - [ -0.0036456700000000, -0.0000426500000000, 0.0002914100000000 ] - [ 0.0035425000000000, -0.0002757200000000, -0.0006990300000000 ] - [ 0.0035620100000000, -0.0000027400000000, -0.0002340300000000 ] - [ 0.0035425000000000, 0.0002757200000000, -0.0006990300000000 ] - [ 0.0035620100000000, 0.0000027400000000, -0.0002340300000000 ] - [ 0.0035147300000000, 0.0000000000000000, -0.0003553100000000 ] - [ 0.0035631300000000, 0.0000000000000000, -0.0002335700000000 ] - [ -0.0196528500000000, 0.0000000000000000, 0.0279428800000000 ] - [ -0.0163140100000000, 0.0000000000000000, 0.0086851900000000 ] - [ -0.0165760500000000, 0.0003975000000000, 0.0089779400000000 ] - [ -0.0163110400000000, 0.0000095000000000, 0.0086826700000000 ] - [ -0.0165760500000000, -0.0003975000000000, 0.0089779400000000 ] - [ -0.0163110400000000, -0.0000095000000000, 0.0086826700000000 ] - [ 0.0163877100000000, -0.0000244900000000, -0.0087624400000000 ] - [ 0.0161999000000000, 0.0000033600000000, -0.0087394200000000 ] - [ 0.0163877100000000, 0.0000244900000000, -0.0087624400000000 ] - [ 0.0161999000000000, -0.0000033600000000, -0.0087394200000000 ] - [ 0.0164071600000000, 0.0000000000000000, -0.0087181500000000 ] - [ 0.0162966400000000, 0.0000000000000000, -0.0086876600000000 ] - [ -0.0167421000000000, 0.0000000000000000, -0.0082104000000000 ] - [ -0.0160545000000000, 0.0000000000000000, -0.0084003300000000 ] - [ -0.0163406300000000, -0.0000439200000000, -0.0084924000000000 ] - [ -0.0161481800000000, -0.0002477100000000, -0.0084125600000000 ] - [ -0.0163406300000000, 0.0000439200000000, -0.0084924000000000 ] - [ -0.0161481800000000, 0.0002477100000000, -0.0084125600000000 ] - [ 0.0163991700000000, 0.0000697100000000, 0.0084172500000000 ] - [ 0.0163135000000000, 0.0000251300000000, 0.0085589800000000 ] - [ 0.0163991700000000, -0.0000697100000000, 0.0084172500000000 ] - [ 0.0163135000000000, -0.0000251300000000, 0.0085589800000000 ] - [ 0.0162952800000000, 0.0000000000000000, 0.0085189400000000 ] - [ 0.0163157000000000, 0.0000000000000000, 0.0085636900000000 ] - [ 0.0011520400000000, 0.0000000000000000, -0.0394131400000000 ] - [ 0.0002780400000000, 0.0000000000000000, -0.0019791800000000 ] - [ 0.0003017600000000, 0.0001138500000000, -0.0023771000000000 ] - [ 0.0002751000000000, 0.0000041300000000, -0.0019735200000000 ] - [ 0.0003017600000000, -0.0001138500000000, -0.0023771000000000 ] - [ 0.0002751000000000, -0.0000041300000000, -0.0019735200000000 ] - [ -0.0002654800000000, -0.0000037800000000, 0.0020964700000000 ] - [ -0.0002795600000000, -0.0000076900000000, 0.0020403500000000 ] - [ -0.0002654800000000, 0.0000037800000000, 0.0020964700000000 ] - [ -0.0002795600000000, 0.0000076900000000, 0.0020403500000000 ] - [ -0.0002911800000000, 0.0000000000000000, 0.0020520200000000 ] - [ -0.0002798900000000, 0.0000000000000000, 0.0019790600000000 ] - [ 0.0002449700000000, 0.0000000000000000, 0.0015001800000000 ] - [ 0.0003390200000000, 0.0000000000000000, 0.0015003200000000 ] - [ 0.0002543100000000, 0.0000383700000000, 0.0016618200000000 ] - [ 0.0003255700000000, -0.0000294400000000, 0.0016615400000000 ] - [ 0.0002543100000000, -0.0000383700000000, 0.0016618200000000 ] - [ 0.0003255700000000, 0.0000294400000000, 0.0016615400000000 ] - [ -0.0002653300000000, -0.0000052800000000, -0.0016097200000000 ] - [ -0.0002775700000000, -0.0000047100000000, -0.0017903500000000 ] - [ -0.0002653300000000, 0.0000052800000000, -0.0016097200000000 ] - [ -0.0002775700000000, 0.0000047100000000, -0.0017903500000000 ] - [ -0.0002507200000000, 0.0000000000000000, -0.0017315800000000 ] - [ -0.0002787300000000, 0.0000000000000000, -0.0017999500000000 ] - [ 0.0053897500000000, 0.0000000000000000, 0.0026026100000000 ] - [ 0.0024457900000000, 0.0000000000000000, -0.0017264300000000 ] - [ 0.0026240500000000, -0.0001625300000000, -0.0017224300000000 ] - [ 0.0024377400000000, -0.0000023100000000, -0.0017190100000000 ] - [ 0.0026240500000000, 0.0001625300000000, -0.0017224300000000 ] - [ 0.0024377400000000, 0.0000023100000000, -0.0017190100000000 ] - [ -0.0025860300000000, 0.0000061800000000, 0.0017866700000000 ] - [ -0.0022626100000000, 0.0001172700000000, 0.0018656100000000 ] - [ -0.0025860300000000, -0.0000061800000000, 0.0017866700000000 ] - [ -0.0022626100000000, -0.0001172700000000, 0.0018656100000000 ] - [ -0.0025648200000000, 0.0000000000000000, 0.0017559400000000 ] - [ -0.0024258400000000, 0.0000000000000000, 0.0017322000000000 ] - [ 0.0043496400000000, 0.0000000000000000, 0.0027246900000000 ] - [ 0.0023632400000000, 0.0000000000000000, 0.0016246100000000 ] - [ 0.0025580900000000, 0.0001151300000000, 0.0016205300000000 ] - [ 0.0023275100000000, 0.0000666200000000, 0.0016549100000000 ] - [ 0.0025580900000000, -0.0001151300000000, 0.0016205300000000 ] - [ 0.0023275100000000, -0.0000666200000000, 0.0016549100000000 ] - [ -0.0024353100000000, -0.0002206700000000, -0.0013006000000000 ] - [ -0.0024890900000000, -0.0000077200000000, -0.0016123700000000 ] - [ -0.0024353100000000, 0.0002206700000000, -0.0013006000000000 ] - [ -0.0024890900000000, 0.0000077200000000, -0.0016123700000000 ] - [ -0.0024672700000000, 0.0000000000000000, -0.0015862100000000 ] - [ -0.0024920000000000, 0.0000000000000000, -0.0016146100000000 ] - [ -0.0154758400000000, 0.0000000000000000, -0.0079400900000000 ] - [ -0.0152494500000000, 0.0000000000000000, -0.0081408000000000 ] - [ -0.0153392600000000, 0.0000620400000000, -0.0081370300000000 ] - [ -0.0152965300000000, 0.0000256300000000, -0.0081741000000000 ] - [ -0.0153392600000000, -0.0000620400000000, -0.0081370300000000 ] - [ -0.0152965300000000, -0.0000256300000000, -0.0081741000000000 ] - [ 0.0154434600000000, -0.0001370800000000, 0.0081599200000000 ] - [ 0.0147399800000000, -0.0004734300000000, 0.0082079400000000 ] - [ 0.0154434600000000, 0.0001370800000000, 0.0081599200000000 ] - [ 0.0147399800000000, 0.0004734300000000, 0.0082079400000000 ] - [ 0.0153385000000000, 0.0000000000000000, 0.0081860000000000 ] - [ 0.0152814700000000, 0.0000000000000000, 0.0081607100000000 ] - [ -0.0154123800000000, 0.0000000000000000, 0.0084047000000000 ] - [ -0.0152586500000000, 0.0000000000000000, 0.0082734000000000 ] - [ -0.0153706400000000, -0.0000852900000000, 0.0084119300000000 ] - [ -0.0152676100000000, -0.0000325700000000, 0.0082557300000000 ] - [ -0.0153706400000000, 0.0000852900000000, 0.0084119300000000 ] - [ -0.0152676100000000, 0.0000325700000000, 0.0082557300000000 ] - [ 0.0134332500000000, 0.0028404500000000, -0.0057479400000000 ] - [ 0.0153426400000000, 0.0000132600000000, -0.0082791900000000 ] - [ 0.0134332500000000, -0.0028404500000000, -0.0057479400000000 ] - [ 0.0153426400000000, -0.0000132600000000, -0.0082791900000000 ] - [ 0.0153536600000000, 0.0000000000000000, -0.0083392700000000 ] - [ 0.0153225200000000, 0.0000000000000000, -0.0082697800000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0008594400000000, 0.0000000000000000, 0.0001678100000000 ] - [ -0.0008409600000000, 0.0000000000000000, 0.0002781600000000 ] - [ -0.0008602200000000, 0.0000043900000000, 0.0001480700000000 ] - [ -0.0008484100000000, -0.0000212800000000, 0.0001837900000000 ] - [ -0.0008602200000000, -0.0000043900000000, 0.0001480700000000 ] - [ -0.0008484100000000, 0.0000212800000000, 0.0001837900000000 ] - [ -0.0005979800000000, -0.0014232500000000, -0.0015952900000000 ] - [ 0.0008250300000000, -0.0000084200000000, -0.0001492700000000 ] - [ -0.0005979800000000, 0.0014232500000000, -0.0015952900000000 ] - [ 0.0008250300000000, 0.0000084200000000, -0.0001492700000000 ] - [ 0.0008709100000000, 0.0000000000000000, -0.0002574200000000 ] - [ 0.0008185500000000, 0.0000000000000000, -0.0001192500000000 ] - [ -0.0007706800000000, 0.0000000000000000, 0.0001898000000000 ] - [ -0.0008058400000000, 0.0000000000000000, 0.0000101200000000 ] - [ -0.0007757000000000, 0.0000533300000000, 0.0001198400000000 ] - [ -0.0008111900000000, 0.0000002200000000, 0.0000006800000000 ] - [ -0.0007757000000000, -0.0000533300000000, 0.0001198400000000 ] - [ -0.0008111900000000, -0.0000002200000000, 0.0000006800000000 ] - [ 0.0008169100000000, -0.0000695600000000, -0.0005663300000000 ] - [ 0.0007770300000000, 0.0000021900000000, -0.0000528200000000 ] - [ 0.0008169100000000, 0.0000695600000000, -0.0005663300000000 ] - [ 0.0007770300000000, -0.0000021900000000, -0.0000528200000000 ] - [ 0.0008046100000000, 0.0000000000000000, -0.0000992200000000 ] - [ 0.0008018500000000, 0.0000000000000000, -0.0000266400000000 ] - [ -0.0028034100000000, 0.0000000000000000, -0.0041710200000000 ] - [ -0.0035263600000000, 0.0000000000000000, -0.0002230800000000 ] - [ -0.0035445000000000, 0.0002764600000000, -0.0001913400000000 ] - [ -0.0035463500000000, 0.0000172200000000, -0.0002230900000000 ] - [ -0.0035445000000000, -0.0002764600000000, -0.0001913400000000 ] - [ -0.0035463500000000, -0.0000172200000000, -0.0002230900000000 ] - [ 0.0036854300000000, -0.0001745100000000, 0.0004253100000000 ] - [ 0.0034329900000000, -0.0000251300000000, 0.0003648700000000 ] - [ 0.0036854300000000, 0.0001745100000000, 0.0004253100000000 ] - [ 0.0034329900000000, 0.0000251300000000, 0.0003648700000000 ] - [ 0.0035846000000000, 0.0000000000000000, 0.0003138600000000 ] - [ 0.0035146500000000, 0.0000000000000000, 0.0002947600000000 ] - [ -0.0039122700000000, 0.0000000000000000, 0.0003065600000000 ] - [ -0.0031201600000000, 0.0000000000000000, 0.0001640700000000 ] - [ -0.0038222200000000, -0.0001856400000000, 0.0002677500000000 ] - [ -0.0034427100000000, -0.0000426100000000, 0.0001761600000000 ] - [ -0.0038222200000000, 0.0001856400000000, 0.0002677500000000 ] - [ -0.0034427100000000, 0.0000426100000000, 0.0001761600000000 ] - [ 0.0035437900000000, 0.0002741600000000, 0.0002275500000000 ] - [ 0.0035259500000000, 0.0000027100000000, -0.0002339700000000 ] - [ 0.0035437900000000, -0.0002741600000000, 0.0002275500000000 ] - [ 0.0035259500000000, -0.0000027100000000, -0.0002339700000000 ] - [ 0.0035730100000000, 0.0000000000000000, -0.0001137400000000 ] - [ 0.0035247700000000, 0.0000000000000000, -0.0002343900000000 ] - [ -0.0127431200000000, 0.0000000000000000, -0.0119100700000000 ] - [ -0.0163281900000000, 0.0000000000000000, 0.0085552500000000 ] - [ -0.0160680000000000, -0.0003953200000000, 0.0082623900000000 ] - [ -0.0163312200000000, -0.0000094200000000, 0.0085576100000000 ] - [ -0.0160680000000000, 0.0003953200000000, 0.0082623900000000 ] - [ -0.0163312200000000, 0.0000094200000000, 0.0085576100000000 ] - [ 0.0162550700000000, 0.0000238800000000, -0.0084784100000000 ] - [ 0.0164423700000000, -0.0000034700000000, -0.0085011200000000 ] - [ 0.0162550700000000, -0.0000238800000000, -0.0084784100000000 ] - [ 0.0164423700000000, 0.0000034700000000, -0.0085011200000000 ] - [ 0.0162354500000000, 0.0000000000000000, -0.0085223200000000 ] - [ 0.0163454000000000, 0.0000000000000000, -0.0085527500000000 ] - [ -0.0159017900000000, 0.0000000000000000, -0.0090260600000000 ] - [ -0.0165854500000000, 0.0000000000000000, -0.0088379200000000 ] - [ -0.0163004300000000, 0.0000435400000000, -0.0087465700000000 ] - [ -0.0164925500000000, 0.0002459300000000, -0.0088258400000000 ] - [ -0.0163004300000000, -0.0000435400000000, -0.0087465700000000 ] - [ -0.0164925500000000, -0.0002459300000000, -0.0088258400000000 ] - [ 0.0162425500000000, -0.0000687400000000, 0.0088215000000000 ] - [ 0.0163276600000000, -0.0000250000000000, 0.0086808800000000 ] - [ 0.0162425500000000, 0.0000687400000000, 0.0088215000000000 ] - [ 0.0163276600000000, 0.0000250000000000, 0.0086808800000000 ] - [ 0.0163454800000000, 0.0000000000000000, 0.0087208200000000 ] - [ 0.0163253800000000, 0.0000000000000000, 0.0086762900000000 ] - [ -0.0007665800000000, 0.0000000000000000, 0.0367285100000000 ] - [ 0.0002675000000000, 0.0000000000000000, -0.0017873600000000 ] - [ 0.0002445600000000, -0.0001157900000000, -0.0013914600000000 ] - [ 0.0002704900000000, -0.0000041200000000, -0.0017930200000000 ] - [ 0.0002445600000000, 0.0001157900000000, -0.0013914600000000 ] - [ 0.0002704900000000, 0.0000041200000000, -0.0017930200000000 ] - [ -0.0002800600000000, 0.0000038300000000, 0.0016711200000000 ] - [ -0.0002664500000000, 0.0000075700000000, 0.0017264200000000 ] - [ -0.0002800600000000, -0.0000038300000000, 0.0016711200000000 ] - [ -0.0002664500000000, -0.0000075700000000, 0.0017264200000000 ] - [ -0.0002543700000000, 0.0000000000000000, 0.0017146900000000 ] - [ -0.0002659900000000, 0.0000000000000000, 0.0017876500000000 ] - [ 0.0002984700000000, 0.0000000000000000, 0.0022637900000000 ] - [ 0.0002078900000000, 0.0000000000000000, 0.0022637400000000 ] - [ 0.0002904700000000, -0.0000388700000000, 0.0021034800000000 ] - [ 0.0002206700000000, 0.0000293600000000, 0.0021032800000000 ] - [ 0.0002904700000000, 0.0000388700000000, 0.0021034800000000 ] - [ 0.0002206700000000, -0.0000293600000000, 0.0021032800000000 ] - [ -0.0002803400000000, 0.0000051400000000, -0.0021547400000000 ] - [ -0.0002683300000000, 0.0000046800000000, -0.0019753400000000 ] - [ -0.0002803400000000, -0.0000051400000000, -0.0021547400000000 ] - [ -0.0002683300000000, -0.0000046800000000, -0.0019753400000000 ] - [ -0.0002949300000000, 0.0000000000000000, -0.0020337500000000 ] - [ -0.0002671400000000, 0.0000000000000000, -0.0019658300000000 ] - [ -0.0004770900000000, 0.0000000000000000, -0.0059995500000000 ] - [ 0.0025155300000000, 0.0000000000000000, -0.0016116100000000 ] - [ 0.0023386400000000, 0.0001615400000000, -0.0016152300000000 ] - [ 0.0025238100000000, 0.0000022600000000, -0.0016190300000000 ] - [ 0.0023386400000000, -0.0001615400000000, -0.0016152300000000 ] - [ 0.0025238100000000, -0.0000022600000000, -0.0016190300000000 ] - [ -0.0023761900000000, -0.0000059400000000, 0.0015521300000000 ] - [ -0.0026990500000000, -0.0001174800000000, 0.0014732100000000 ] - [ -0.0023761900000000, 0.0000059400000000, 0.0015521300000000 ] - [ -0.0026990500000000, 0.0001174800000000, 0.0014732100000000 ] - [ -0.0023973100000000, 0.0000000000000000, 0.0015826200000000 ] - [ -0.0025355200000000, 0.0000000000000000, 0.0016066600000000 ] - [ 0.0006383200000000, 0.0000000000000000, 0.0006274600000000 ] - [ 0.0025979000000000, 0.0000000000000000, 0.0017131000000000 ] - [ 0.0024040000000000, -0.0001148800000000, 0.0017164000000000 ] - [ 0.0026333600000000, -0.0000662000000000, 0.0016830800000000 ] - [ 0.0024040000000000, 0.0001148800000000, 0.0017164000000000 ] - [ 0.0026333600000000, 0.0000662000000000, 0.0016830800000000 ] - [ -0.0025255900000000, 0.0002183300000000, -0.0020350700000000 ] - [ -0.0024728900000000, 0.0000076300000000, -0.0017257600000000 ] - [ -0.0025255900000000, -0.0002183300000000, -0.0020350700000000 ] - [ -0.0024728900000000, -0.0000076300000000, -0.0017257600000000 ] - [ -0.0024942800000000, 0.0000000000000000, -0.0017518700000000 ] - [ -0.0024698600000000, 0.0000000000000000, -0.0017235100000000 ] - [ -0.0151630200000000, 0.0000000000000000, -0.0085157200000000 ] - [ -0.0153872300000000, 0.0000000000000000, -0.0083176100000000 ] - [ -0.0152977600000000, -0.0000614700000000, -0.0083211800000000 ] - [ -0.0153402300000000, -0.0000254700000000, -0.0082842800000000 ] - [ -0.0152977600000000, 0.0000614700000000, -0.0083211800000000 ] - [ -0.0153402300000000, 0.0000254700000000, -0.0082842800000000 ] - [ 0.0151939700000000, 0.0001359700000000, 0.0082977900000000 ] - [ 0.0158923500000000, 0.0004694200000000, 0.0082499500000000 ] - [ 0.0151939700000000, -0.0001359700000000, 0.0082977900000000 ] - [ 0.0158923500000000, -0.0004694200000000, 0.0082499500000000 ] - [ 0.0152981600000000, 0.0000000000000000, 0.0082720900000000 ] - [ 0.0153553400000000, 0.0000000000000000, 0.0082971300000000 ] - [ -0.0152253800000000, 0.0000000000000000, 0.0080562600000000 ] - [ -0.0153782000000000, 0.0000000000000000, 0.0081854900000000 ] - [ -0.0152664100000000, 0.0000851700000000, 0.0080472600000000 ] - [ -0.0153692800000000, 0.0000326500000000, 0.0082030900000000 ] - [ -0.0152664100000000, -0.0000851700000000, 0.0080472600000000 ] - [ -0.0153692800000000, -0.0000326500000000, 0.0082030900000000 ] - [ 0.0172295400000000, -0.0028764000000000, -0.0107392300000000 ] - [ 0.0152942400000000, -0.0000131900000000, -0.0081793300000000 ] - [ 0.0172295400000000, 0.0028764000000000, -0.0107392300000000 ] - [ 0.0152942400000000, 0.0000131900000000, -0.0081793300000000 ] - [ 0.0152828500000000, 0.0000000000000000, -0.0081190000000000 ] - [ 0.0153143500000000, 0.0000000000000000, -0.0081887500000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0009424400000000, 0.0000000000000000, 0.0001241500000000 ] - [ -0.0006807200000000, 0.0000000000000000, -0.0001952100000000 ] - [ -0.0009176400000000, -0.0000089500000000, 0.0001132000000000 ] - [ -0.0006986700000000, 0.0001023300000000, -0.0000744000000000 ] - [ -0.0009176400000000, 0.0000089500000000, 0.0001132000000000 ] - [ -0.0006986700000000, -0.0001023300000000, -0.0000744000000000 ] - [ 0.0015458700000000, -0.0000166900000000, -0.0000140400000000 ] - [ 0.0006250400000000, -0.0000070800000000, -0.0000404200000000 ] - [ 0.0015458700000000, 0.0000166900000000, -0.0000140400000000 ] - [ 0.0006250400000000, 0.0000070800000000, -0.0000404200000000 ] - [ 0.0010235200000000, 0.0000000000000000, -0.0000637200000000 ] - [ 0.0006625000000000, 0.0000000000000000, -0.0000352600000000 ] - [ -0.0007287300000000, 0.0000000000000000, 0.0000246700000000 ] - [ -0.0009366000000000, 0.0000000000000000, -0.0001277200000000 ] - [ -0.0007443500000000, -0.0000090800000000, -0.0000122700000000 ] - [ -0.0009107200000000, 0.0000251300000000, -0.0001015100000000 ] - [ -0.0007443500000000, 0.0000090800000000, -0.0000122700000000 ] - [ -0.0009107200000000, -0.0000251300000000, -0.0001015100000000 ] - [ 0.0006798300000000, 0.0001167100000000, -0.0002216800000000 ] - [ 0.0006568600000000, -0.0001841300000000, 0.0001463800000000 ] - [ 0.0006798300000000, -0.0001167100000000, -0.0002216800000000 ] - [ 0.0006568600000000, 0.0001841300000000, 0.0001463800000000 ] - [ 0.0008265400000000, 0.0000000000000000, -0.0000223600000000 ] - [ 0.0007770300000000, 0.0000000000000000, 0.0000845900000000 ] - [ -0.0033295500000000, 0.0000000000000000, -0.0004334800000000 ] - [ -0.0036830000000000, 0.0000000000000000, -0.0002297300000000 ] - [ -0.0034283400000000, -0.0000003500000000, -0.0002766600000000 ] - [ -0.0036397800000000, 0.0000079800000000, -0.0002412000000000 ] - [ -0.0034283400000000, 0.0000003500000000, -0.0002766600000000 ] - [ -0.0036397800000000, -0.0000079800000000, -0.0002412000000000 ] - [ 0.0035075200000000, 0.0000207100000000, 0.0002002300000000 ] - [ 0.0035775900000000, -0.0000367500000000, 0.0002476200000000 ] - [ 0.0035075200000000, -0.0000207100000000, 0.0002002300000000 ] - [ 0.0035775900000000, 0.0000367500000000, 0.0002476200000000 ] - [ 0.0035214800000000, 0.0000000000000000, 0.0002090400000000 ] - [ 0.0035637200000000, 0.0000000000000000, 0.0002333500000000 ] - [ -0.0039448900000000, 0.0000000000000000, 0.0003878500000000 ] - [ -0.0023982300000000, 0.0000000000000000, 0.0002862100000000 ] - [ -0.0038200100000000, -0.0002060600000000, 0.0004001800000000 ] - [ -0.0035777900000000, 0.0002361800000000, 0.0002957800000000 ] - [ -0.0038200100000000, 0.0002060600000000, 0.0004001800000000 ] - [ -0.0035777900000000, -0.0002361800000000, 0.0002957800000000 ] - [ 0.0053088200000000, -0.0021500600000000, -0.0020680400000000 ] - [ 0.0033413500000000, -0.0000243000000000, -0.0002359900000000 ] - [ 0.0053088200000000, 0.0021500600000000, -0.0020680400000000 ] - [ 0.0033413500000000, 0.0000243000000000, -0.0002359900000000 ] - [ 0.0037451600000000, 0.0000000000000000, -0.0002087500000000 ] - [ 0.0033923400000000, 0.0000000000000000, -0.0002172500000000 ] - [ 0.0014407700000000, 0.0000000000000000, 0.0184041400000000 ] - [ -0.0164805300000000, 0.0000000000000000, 0.0086166500000000 ] - [ -0.0158100800000000, -0.0004195900000000, 0.0085284200000000 ] - [ -0.0164743300000000, 0.0000945200000000, 0.0086447800000000 ] - [ -0.0158100800000000, 0.0004195900000000, 0.0085284200000000 ] - [ -0.0164743300000000, -0.0000945200000000, 0.0086447800000000 ] - [ 0.0162275800000000, 0.0001037300000000, -0.0085486600000000 ] - [ 0.0160254900000000, 0.0000015700000000, -0.0087796900000000 ] - [ 0.0162275800000000, -0.0001037300000000, -0.0085486600000000 ] - [ 0.0160254900000000, -0.0000015700000000, -0.0087796900000000 ] - [ 0.0162346100000000, 0.0000000000000000, -0.0085670600000000 ] - [ 0.0163698100000000, 0.0000000000000000, -0.0086584600000000 ] - [ -0.0163996200000000, 0.0000000000000000, -0.0086958700000000 ] - [ -0.0161157000000000, 0.0000000000000000, -0.0080669300000000 ] - [ -0.0163476200000000, 0.0000010200000000, -0.0087205000000000 ] - [ -0.0163070400000000, 0.0000328300000000, -0.0085593100000000 ] - [ -0.0163476200000000, -0.0000010200000000, -0.0087205000000000 ] - [ -0.0163070400000000, -0.0000328300000000, -0.0085593100000000 ] - [ 0.0163933000000000, -0.0000037900000000, 0.0086341500000000 ] - [ 0.0162507700000000, 0.0000024400000000, 0.0086166900000000 ] - [ 0.0163933000000000, 0.0000037900000000, 0.0086341500000000 ] - [ 0.0162507700000000, -0.0000024400000000, 0.0086166900000000 ] - [ 0.0163807800000000, 0.0000000000000000, 0.0086224000000000 ] - [ 0.0162697600000000, 0.0000000000000000, 0.0086120700000000 ] - [ 0.0008753200000000, 0.0000000000000000, 0.0010544000000000 ] - [ 0.0004372800000000, 0.0000000000000000, -0.0019193900000000 ] - [ 0.0000345800000000, 0.0000482900000000, -0.0017421900000000 ] - [ 0.0003939100000000, -0.0000363900000000, -0.0019274900000000 ] - [ 0.0000345800000000, -0.0000482900000000, -0.0017421900000000 ] - [ 0.0003939100000000, 0.0000363900000000, -0.0019274900000000 ] - [ -0.0002361900000000, -0.0000265900000000, 0.0017798400000000 ] - [ -0.0002309700000000, 0.0000141500000000, 0.0021019200000000 ] - [ -0.0002361900000000, 0.0000265900000000, 0.0017798400000000 ] - [ -0.0002309700000000, -0.0000141500000000, 0.0021019200000000 ] - [ -0.0002455600000000, 0.0000000000000000, 0.0018009300000000 ] - [ -0.0002703200000000, 0.0000000000000000, 0.0019392000000000 ] - [ 0.0004418900000000, 0.0000000000000000, 0.0020017000000000 ] - [ 0.0012766200000000, 0.0000000000000000, 0.0000426700000000 ] - [ 0.0004439100000000, 0.0000771400000000, 0.0020376300000000 ] - [ 0.0002414800000000, -0.0001244200000000, 0.0018077200000000 ] - [ 0.0004439100000000, -0.0000771400000000, 0.0020376300000000 ] - [ 0.0002414800000000, 0.0001244200000000, 0.0018077200000000 ] - [ -0.0004466100000000, 0.0000025800000000, -0.0019298300000000 ] - [ -0.0001624600000000, 0.0000078300000000, -0.0018767100000000 ] - [ -0.0004466100000000, -0.0000025800000000, -0.0019298300000000 ] - [ -0.0001624600000000, -0.0000078300000000, -0.0018767100000000 ] - [ -0.0003834700000000, 0.0000000000000000, -0.0018983100000000 ] - [ -0.0001794200000000, 0.0000000000000000, -0.0018738400000000 ] - [ -0.0303703200000000, 0.0000000000000000, -0.0107434000000000 ] - [ 0.0027091300000000, 0.0000000000000000, -0.0016585400000000 ] - [ 0.0019934800000000, -0.0000813900000000, -0.0016566500000000 ] - [ 0.0026890600000000, -0.0000181800000000, -0.0016623000000000 ] - [ 0.0019934800000000, 0.0000813900000000, -0.0016566500000000 ] - [ 0.0026890600000000, 0.0000181800000000, -0.0016623000000000 ] - [ -0.0023059200000000, -0.0000226600000000, 0.0015779200000000 ] - [ -0.0019062500000000, 0.0006353600000000, 0.0025364900000000 ] - [ -0.0023059200000000, 0.0000226600000000, 0.0015779200000000 ] - [ -0.0019062500000000, -0.0006353600000000, 0.0025364900000000 ] - [ -0.0023385100000000, 0.0000000000000000, 0.0015886600000000 ] - [ -0.0025565800000000, 0.0000000000000000, 0.0016683500000000 ] - [ 0.0026338400000000, 0.0000000000000000, 0.0018083300000000 ] - [ 0.0026341300000000, 0.0000000000000000, 0.0013985700000000 ] - [ 0.0024883900000000, 0.0000237000000000, 0.0017289900000000 ] - [ 0.0024887500000000, -0.0000296200000000, 0.0016347000000000 ] - [ 0.0024883900000000, -0.0000237000000000, 0.0017289900000000 ] - [ 0.0024887500000000, 0.0000296200000000, 0.0016347000000000 ] - [ -0.0025663800000000, -0.0000171900000000, -0.0016393700000000 ] - [ -0.0023756800000000, 0.0000164700000000, -0.0016635900000000 ] - [ -0.0025663800000000, 0.0000171900000000, -0.0016393700000000 ] - [ -0.0023756800000000, -0.0000164700000000, -0.0016635900000000 ] - [ -0.0025587900000000, 0.0000000000000000, -0.0016564400000000 ] - [ -0.0024088700000000, 0.0000000000000000, -0.0016599200000000 ] - [ -0.0154259100000000, 0.0000000000000000, -0.0082233300000000 ] - [ -0.0152362800000000, 0.0000000000000000, -0.0082122900000000 ] - [ -0.0153949500000000, -0.0000045300000000, -0.0082315400000000 ] - [ -0.0152451700000000, -0.0000037300000000, -0.0082113700000000 ] - [ -0.0153949500000000, 0.0000045300000000, -0.0082315400000000 ] - [ -0.0152451700000000, 0.0000037300000000, -0.0082113700000000 ] - [ 0.0154147800000000, -0.0000162600000000, 0.0082744600000000 ] - [ 0.0151611900000000, 0.0000870800000000, 0.0080984900000000 ] - [ 0.0154147800000000, 0.0000162600000000, 0.0082744600000000 ] - [ 0.0151611900000000, -0.0000870800000000, 0.0080984900000000 ] - [ 0.0154041100000000, 0.0000000000000000, 0.0082865400000000 ] - [ 0.0152295400000000, 0.0000000000000000, 0.0082043600000000 ] - [ -0.0151543300000000, 0.0000000000000000, 0.0079840500000000 ] - [ -0.0151181800000000, 0.0000000000000000, 0.0083815300000000 ] - [ -0.0152781500000000, 0.0001050300000000, 0.0081160700000000 ] - [ -0.0151787800000000, -0.0001262800000000, 0.0082380100000000 ] - [ -0.0152781500000000, -0.0001050300000000, 0.0081160700000000 ] - [ -0.0151787800000000, 0.0001262800000000, 0.0082380100000000 ] - [ 0.0186691000000000, -0.0033645600000000, -0.0080016000000000 ] - [ 0.0155748400000000, 0.0001460900000000, -0.0082923500000000 ] - [ 0.0186691000000000, 0.0033645600000000, -0.0080016000000000 ] - [ 0.0155748400000000, -0.0001460900000000, -0.0082923500000000 ] - [ 0.0151659100000000, 0.0000000000000000, -0.0082020400000000 ] - [ 0.0154115300000000, 0.0000000000000000, -0.0082557100000000 ]- atom: 97 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007037400000000, 0.0000000000000000, -0.0000074600000000 ] - [ -0.0009674500000000, 0.0000000000000000, 0.0003136000000000 ] - [ -0.0007286500000000, 0.0000089700000000, 0.0000035400000000 ] - [ -0.0009490700000000, -0.0001031500000000, 0.0001923300000000 ] - [ -0.0007286500000000, -0.0000089700000000, 0.0000035400000000 ] - [ -0.0009490700000000, 0.0001031500000000, 0.0001923300000000 ] - [ 0.0000963000000000, 0.0000219500000000, -0.0001113500000000 ] - [ 0.0010233500000000, 0.0000068500000000, -0.0000768700000000 ] - [ 0.0000963000000000, -0.0000219500000000, -0.0001113500000000 ] - [ 0.0010233500000000, -0.0000068500000000, -0.0000768700000000 ] - [ 0.0006222200000000, 0.0000000000000000, -0.0000525100000000 ] - [ 0.0009853800000000, 0.0000000000000000, -0.0000816700000000 ] - [ -0.0009185200000000, 0.0000000000000000, -0.0001415400000000 ] - [ -0.0007095100000000, 0.0000000000000000, 0.0000117200000000 ] - [ -0.0009028200000000, 0.0000091000000000, -0.0001046800000000 ] - [ -0.0007356000000000, -0.0000253400000000, -0.0000149200000000 ] - [ -0.0009028200000000, -0.0000091000000000, -0.0001046800000000 ] - [ -0.0007356000000000, 0.0000253400000000, -0.0000149200000000 ] - [ 0.0009703100000000, -0.0001200200000000, 0.0003404800000000 ] - [ 0.0009906600000000, 0.0001854800000000, -0.0000300500000000 ] - [ 0.0009703100000000, 0.0001200200000000, 0.0003404800000000 ] - [ 0.0009906600000000, -0.0001854800000000, -0.0000300500000000 ] - [ 0.0008212600000000, 0.0000000000000000, 0.0001393900000000 ] - [ 0.0008697100000000, 0.0000000000000000, 0.0000321800000000 ] - [ -0.0037607100000000, 0.0000000000000000, -0.0000312000000000 ] - [ -0.0034050900000000, 0.0000000000000000, -0.0002383100000000 ] - [ -0.0036612200000000, 0.0000006000000000, -0.0001906100000000 ] - [ -0.0034487300000000, -0.0000079900000000, -0.0002267700000000 ] - [ -0.0036612200000000, -0.0000006000000000, -0.0001906100000000 ] - [ -0.0034487300000000, 0.0000079900000000, -0.0002267700000000 ] - [ 0.0035821400000000, -0.0000209600000000, 0.0002682500000000 ] - [ 0.0035110400000000, 0.0000370600000000, 0.0002206800000000 ] - [ 0.0035821400000000, 0.0000209600000000, 0.0002682500000000 ] - [ 0.0035110400000000, -0.0000370600000000, 0.0002206800000000 ] - [ 0.0035680200000000, 0.0000000000000000, 0.0002592700000000 ] - [ 0.0035251400000000, 0.0000000000000000, 0.0002349400000000 ] - [ -0.0031401900000000, 0.0000000000000000, 0.0000781800000000 ] - [ -0.0047923900000000, 0.0000000000000000, 0.0001646800000000 ] - [ -0.0032675400000000, 0.0002066500000000, 0.0000677200000000 ] - [ -0.0035116700000000, -0.0002382600000000, 0.0001715400000000 ] - [ -0.0032675400000000, -0.0002066500000000, 0.0000677200000000 ] - [ -0.0035116700000000, 0.0002382600000000, 0.0001715400000000 ] - [ 0.0017748000000000, 0.0021225000000000, 0.0015719200000000 ] - [ 0.0037492200000000, 0.0000245400000000, -0.0002319500000000 ] - [ 0.0017748000000000, -0.0021225000000000, 0.0015719200000000 ] - [ 0.0037492200000000, -0.0000245400000000, -0.0002319500000000 ] - [ 0.0033435400000000, 0.0000000000000000, -0.0002603700000000 ] - [ 0.0036976600000000, 0.0000000000000000, -0.0002508300000000 ] - [ -0.0332209900000000, 0.0000000000000000, -0.0005866000000000 ] - [ -0.0161672600000000, 0.0000000000000000, 0.0086255000000000 ] - [ -0.0168388400000000, 0.0004215300000000, 0.0087146000000000 ] - [ -0.0161736600000000, -0.0000956600000000, 0.0085970900000000 ] - [ -0.0168388400000000, -0.0004215300000000, 0.0087146000000000 ] - [ -0.0161736600000000, 0.0000956600000000, 0.0085970900000000 ] - [ 0.0164222100000000, -0.0001041200000000, -0.0086939200000000 ] - [ 0.0166252700000000, -0.0000014900000000, -0.0084617400000000 ] - [ 0.0164222100000000, 0.0001041200000000, -0.0086939200000000 ] - [ 0.0166252700000000, 0.0000014900000000, -0.0084617400000000 ] - [ 0.0164153600000000, 0.0000000000000000, -0.0086754500000000 ] - [ 0.0162787900000000, 0.0000000000000000, -0.0085836800000000 ] - [ -0.0162474400000000, 0.0000000000000000, -0.0085460700000000 ] - [ -0.0165349400000000, 0.0000000000000000, -0.0091798300000000 ] - [ -0.0163001100000000, -0.0000008000000000, -0.0085220600000000 ] - [ -0.0163414300000000, -0.0000326800000000, -0.0086834300000000 ] - [ -0.0163001100000000, 0.0000008000000000, -0.0085220600000000 ] - [ -0.0163414300000000, 0.0000326800000000, -0.0086834300000000 ] - [ 0.0162542200000000, 0.0000036600000000, 0.0086087300000000 ] - [ 0.0163978000000000, -0.0000024700000000, 0.0086258700000000 ] - [ 0.0162542200000000, -0.0000036600000000, 0.0086087300000000 ] - [ 0.0163978000000000, 0.0000024700000000, 0.0086258700000000 ] - [ 0.0162670400000000, 0.0000000000000000, 0.0086201000000000 ] - [ 0.0163786600000000, 0.0000000000000000, 0.0086304700000000 ] - [ -0.0003241000000000, 0.0000000000000000, -0.0048136500000000 ] - [ 0.0001093800000000, 0.0000000000000000, -0.0018508400000000 ] - [ 0.0005134700000000, -0.0000495600000000, -0.0020290100000000 ] - [ 0.0001532400000000, 0.0000366900000000, -0.0018426900000000 ] - [ 0.0005134700000000, 0.0000495600000000, -0.0020290100000000 ] - [ 0.0001532400000000, -0.0000366900000000, -0.0018426900000000 ] - [ -0.0003114400000000, 0.0000266500000000, 0.0019911600000000 ] - [ -0.0003164100000000, -0.0000143200000000, 0.0016669600000000 ] - [ -0.0003114400000000, -0.0000266500000000, 0.0019911600000000 ] - [ -0.0003164100000000, 0.0000143200000000, 0.0016669600000000 ] - [ -0.0003021500000000, 0.0000000000000000, 0.0019700500000000 ] - [ -0.0002771700000000, 0.0000000000000000, 0.0018311300000000 ] - [ 0.0001030900000000, 0.0000000000000000, 0.0017682700000000 ] - [ -0.0007416000000000, 0.0000000000000000, 0.0037550900000000 ] - [ 0.0001031600000000, -0.0000774900000000, 0.0017335200000000 ] - [ 0.0003074800000000, 0.0001247700000000, 0.0019633400000000 ] - [ 0.0001031600000000, 0.0000774900000000, 0.0017335200000000 ] - [ 0.0003074800000000, -0.0001247700000000, 0.0019633400000000 ] - [ -0.0000999300000000, -0.0000023800000000, -0.0018409100000000 ] - [ -0.0003858100000000, -0.0000079500000000, -0.0018942700000000 ] - [ -0.0000999300000000, 0.0000023800000000, -0.0018409100000000 ] - [ -0.0003858100000000, 0.0000079500000000, -0.0018942700000000 ] - [ -0.0001632800000000, 0.0000000000000000, -0.0018724900000000 ] - [ -0.0003687000000000, 0.0000000000000000, -0.0018970300000000 ] - [ 0.0345077200000000, 0.0000000000000000, 0.0068984900000000 ] - [ 0.0022548600000000, 0.0000000000000000, -0.0016779900000000 ] - [ 0.0029744400000000, 0.0000796900000000, -0.0016791800000000 ] - [ 0.0022753200000000, 0.0000184000000000, -0.0016742500000000 ] - [ 0.0029744400000000, -0.0000796900000000, -0.0016791800000000 ] - [ 0.0022753200000000, -0.0000184000000000, -0.0016742500000000 ] - [ -0.0026603600000000, 0.0000228600000000, 0.0017586900000000 ] - [ -0.0030642900000000, -0.0006440400000000, 0.0007888000000000 ] - [ -0.0026603600000000, -0.0000228600000000, 0.0017586900000000 ] - [ -0.0030642900000000, 0.0006440400000000, 0.0007888000000000 ] - [ -0.0026275200000000, 0.0000000000000000, 0.0017478300000000 ] - [ -0.0024077700000000, 0.0000000000000000, 0.0016685500000000 ] - [ 0.0023301800000000, 0.0000000000000000, 0.0015266100000000 ] - [ 0.0023303400000000, 0.0000000000000000, 0.0019403700000000 ] - [ 0.0024767500000000, -0.0000241600000000, 0.0016070400000000 ] - [ 0.0024772300000000, 0.0000297500000000, 0.0017019200000000 ] - [ 0.0024767500000000, 0.0000241600000000, 0.0016070400000000 ] - [ 0.0024772300000000, -0.0000297500000000, 0.0017019200000000 ] - [ -0.0023986100000000, 0.0000173300000000, -0.0016978000000000 ] - [ -0.0025902700000000, -0.0000167000000000, -0.0016731900000000 ] - [ -0.0023986100000000, -0.0000173300000000, -0.0016978000000000 ] - [ -0.0025902700000000, 0.0000167000000000, -0.0016731900000000 ] - [ -0.0024062400000000, 0.0000000000000000, -0.0016803100000000 ] - [ -0.0025566100000000, 0.0000000000000000, -0.0016770900000000 ] - [ -0.0152054000000000, 0.0000000000000000, -0.0082324400000000 ] - [ -0.0153960000000000, 0.0000000000000000, -0.0082433700000000 ] - [ -0.0152362900000000, 0.0000045700000000, -0.0082241100000000 ] - [ -0.0153870200000000, 0.0000038100000000, -0.0082442200000000 ] - [ -0.0152362900000000, -0.0000045700000000, -0.0082241100000000 ] - [ -0.0153870200000000, -0.0000038100000000, -0.0082442200000000 ] - [ 0.0152162400000000, 0.0000166900000000, 0.0081806300000000 ] - [ 0.0154726300000000, -0.0000872300000000, 0.0083569600000000 ] - [ 0.0152162400000000, -0.0000166900000000, 0.0081806300000000 ] - [ 0.0154726300000000, 0.0000872300000000, 0.0083569600000000 ] - [ 0.0152273000000000, 0.0000000000000000, 0.0081688600000000 ] - [ 0.0154030500000000, 0.0000000000000000, 0.0082510400000000 ] - [ -0.0154782200000000, 0.0000000000000000, 0.0084725200000000 ] - [ -0.0155148600000000, 0.0000000000000000, 0.0080719500000000 ] - [ -0.0153540200000000, -0.0001056200000000, 0.0083399200000000 ] - [ -0.0154537800000000, 0.0001272400000000, 0.0082173600000000 ] - [ -0.0153540200000000, 0.0001056200000000, 0.0083399200000000 ] - [ -0.0154537800000000, -0.0001272400000000, 0.0082173600000000 ] - [ 0.0120019100000000, 0.0033191000000000, -0.0084525800000000 ] - [ 0.0150550500000000, -0.0001476200000000, -0.0081622500000000 ] - [ 0.0120019100000000, -0.0033191000000000, -0.0084525800000000 ] - [ 0.0150550500000000, 0.0001476200000000, -0.0081622500000000 ] - [ 0.0154657000000000, 0.0000000000000000, -0.0082530600000000 ] - [ 0.0152201800000000, 0.0000000000000000, -0.0081994400000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008230600000000, 0.0000300800000000, 0.0000585800000000 ] - [ -0.0008232800000000, 0.0001885800000000, 0.0000582100000000 ] - [ -0.0008372200000000, -0.0000150000000000, 0.0000701600000000 ] - [ -0.0008128400000000, -0.0000943000000000, 0.0001203400000000 ] - [ -0.0008091000000000, -0.0000151200000000, 0.0000471000000000 ] - [ -0.0008333100000000, -0.0000946100000000, -0.0000030800000000 ] - [ 0.0010307800000000, 0.0018776200000000, -0.0017723100000000 ] - [ 0.0008384200000000, 0.0000200100000000, -0.0000521800000000 ] - [ 0.0006060300000000, 0.0019218400000000, 0.0017216300000000 ] - [ 0.0008079500000000, 0.0000201300000000, -0.0000650500000000 ] - [ 0.0008230700000000, -0.0003500200000000, -0.0000593600000000 ] - [ 0.0008231700000000, -0.0000405700000000, -0.0000586200000000 ] - [ -0.0008232200000000, 0.0000708000000000, -0.0000587000000000 ] - [ -0.0008231200000000, 0.0000399900000000, -0.0000586300000000 ] - [ -0.0008382200000000, -0.0000351900000000, -0.0000195100000000 ] - [ -0.0008071000000000, -0.0000197100000000, -0.0000450300000000 ] - [ -0.0008081400000000, -0.0000353300000000, -0.0000975200000000 ] - [ -0.0008391000000000, -0.0000197500000000, -0.0000721800000000 ] - [ 0.0008721500000000, 0.0000727600000000, 0.0002042100000000 ] - [ 0.0007897000000000, 0.0000392000000000, 0.0000765600000000 ] - [ 0.0007745900000000, 0.0000737700000000, -0.0000866700000000 ] - [ 0.0008566400000000, 0.0000396100000000, 0.0000407100000000 ] - [ 0.0008229100000000, -0.0001239100000000, 0.0000585700000000 ] - [ 0.0008232700000000, -0.0000791600000000, 0.0000585700000000 ] - [ -0.0035444300000000, 0.0000499900000000, -0.0002334600000000 ] - [ -0.0035440100000000, 0.0000125800000000, -0.0002339500000000 ] - [ -0.0035432500000000, -0.0000261200000000, -0.0002855500000000 ] - [ -0.0035366600000000, -0.0000063800000000, -0.0002367500000000 ] - [ -0.0035450800000000, -0.0000262600000000, -0.0001825500000000 ] - [ -0.0035513000000000, -0.0000064100000000, -0.0002312000000000 ] - [ 0.0035542900000000, 0.0000097200000000, 0.0002354600000000 ] - [ 0.0035323600000000, 0.0000156000000000, 0.0002337500000000 ] - [ 0.0035338200000000, 0.0000098900000000, 0.0002326700000000 ] - [ 0.0035559200000000, 0.0000155000000000, 0.0002340700000000 ] - [ 0.0035440000000000, -0.0000195300000000, 0.0002340500000000 ] - [ 0.0035440500000000, -0.0000318500000000, 0.0002339400000000 ] - [ -0.0035437300000000, 0.0002591000000000, 0.0002339100000000 ] - [ -0.0035398300000000, 0.0002847000000000, 0.0002346200000000 ] - [ -0.0036671200000000, -0.0001379900000000, 0.0002982900000000 ] - [ -0.0033459600000000, -0.0001421100000000, 0.0002603800000000 ] - [ -0.0034208600000000, -0.0001385000000000, 0.0001693700000000 ] - [ -0.0037414100000000, -0.0001424800000000, 0.0002081600000000 ] - [ 0.0015980700000000, 0.0035331000000000, 0.0026166100000000 ] - [ 0.0035390500000000, 0.0000168500000000, -0.0002341600000000 ] - [ 0.0055506000000000, 0.0036100400000000, -0.0031786200000000 ] - [ 0.0035491000000000, 0.0000169200000000, -0.0002338200000000 ] - [ 0.0035435900000000, -0.0003491400000000, -0.0002333300000000 ] - [ 0.0035440600000000, -0.0000348800000000, -0.0002339800000000 ] - [ -0.0163567400000000, -0.0006278700000000, 0.0086021200000000 ] - [ -0.0163204700000000, 0.0000446800000000, 0.0086207300000000 ] - [ -0.0165230700000000, -0.0003531000000000, 0.0084683700000000 ] - [ -0.0163301000000000, -0.0000203000000000, 0.0086205900000000 ] - [ -0.0161204000000000, -0.0003537400000000, 0.0087720700000000 ] - [ -0.0163107600000000, -0.0000204400000000, 0.0086209800000000 ] - [ 0.0163120200000000, 0.0000905300000000, -0.0086313700000000 ] - [ 0.0160417200000000, 0.0000550700000000, -0.0087178900000000 ] - [ 0.0163287400000000, 0.0000913300000000, -0.0086100700000000 ] - [ 0.0165989200000000, 0.0000552600000000, -0.0085240300000000 ] - [ 0.0163203100000000, -0.0002162300000000, -0.0086206300000000 ] - [ 0.0163207300000000, -0.0000522800000000, -0.0086206900000000 ] - [ -0.0163197800000000, 0.0000098500000000, -0.0086207800000000 ] - [ -0.0163197200000000, 0.0000678700000000, -0.0086205400000000 ] - [ -0.0163436300000000, -0.0000057200000000, -0.0086575700000000 ] - [ -0.0163319900000000, -0.0000444600000000, -0.0087070400000000 ] - [ -0.0162962300000000, -0.0000057400000000, -0.0085839000000000 ] - [ -0.0163077700000000, -0.0000444800000000, -0.0085349600000000 ] - [ 0.0162893600000000, 0.0000172900000000, 0.0085152700000000 ] - [ 0.0163105600000000, 0.0000043500000000, 0.0086178400000000 ] - [ 0.0163499400000000, 0.0000175000000000, 0.0087269100000000 ] - [ 0.0163292900000000, 0.0000043800000000, 0.0086237000000000 ] - [ 0.0163199100000000, -0.0000327500000000, 0.0086208800000000 ] - [ 0.0163198900000000, -0.0000054100000000, 0.0086207400000000 ] - [ 0.0002700700000000, -0.0005433900000000, -0.0018910500000000 ] - [ 0.0002725700000000, -0.0000185300000000, -0.0018837100000000 ] - [ 0.0003715400000000, 0.0001626000000000, -0.0017214700000000 ] - [ 0.0002698600000000, 0.0000088900000000, -0.0018813900000000 ] - [ 0.0001745700000000, 0.0001628200000000, -0.0020455100000000 ] - [ 0.0002751700000000, 0.0000089700000000, -0.0018859300000000 ] - [ -0.0002786300000000, -0.0000238000000000, 0.0018897700000000 ] - [ -0.0002304100000000, -0.0000215600000000, 0.0020010900000000 ] - [ -0.0002666200000000, -0.0000240100000000, 0.0018777200000000 ] - [ -0.0003148400000000, -0.0000216700000000, 0.0017662600000000 ] - [ -0.0002725600000000, 0.0000513700000000, 0.0018835800000000 ] - [ -0.0002726900000000, 0.0000369700000000, 0.0018836400000000 ] - [ 0.0002724700000000, -0.0000737500000000, 0.0018836600000000 ] - [ 0.0002744600000000, -0.0003518800000000, 0.0018818300000000 ] - [ 0.0003296500000000, 0.0000463500000000, 0.0019500000000000 ] - [ 0.0001448900000000, 0.0001271700000000, 0.0019988400000000 ] - [ 0.0002154800000000, 0.0000466200000000, 0.0018172300000000 ] - [ 0.0003998700000000, 0.0001271900000000, 0.0017687800000000 ] - [ -0.0002439800000000, -0.0000338600000000, -0.0016642400000000 ] - [ -0.0002715100000000, -0.0000075000000000, -0.0018759600000000 ] - [ -0.0003015800000000, -0.0000341900000000, -0.0021032400000000 ] - [ -0.0002738900000000, -0.0000075200000000, -0.0018912800000000 ] - [ -0.0002726700000000, 0.0000625900000000, -0.0018838200000000 ] - [ -0.0002727100000000, 0.0000149200000000, -0.0018836300000000 ] - [ 0.0024682700000000, -0.0140525500000000, -0.0016115500000000 ] - [ 0.0024796800000000, -0.0000224900000000, -0.0016679600000000 ] - [ 0.0025610700000000, 0.0009320700000000, -0.0016251000000000 ] - [ 0.0024980200000000, 0.0000117600000000, -0.0016697900000000 ] - [ 0.0023999400000000, 0.0009205000000000, -0.0017106200000000 ] - [ 0.0024613400000000, 0.0000118200000000, -0.0016662400000000 ] - [ -0.0025026800000000, -0.0000356800000000, 0.0016981400000000 ] - [ -0.0018415600000000, 0.0001581300000000, 0.0021749500000000 ] - [ -0.0024570500000000, -0.0000358700000000, 0.0016379800000000 ] - [ -0.0031210900000000, 0.0001598300000000, 0.0011571700000000 ] - [ -0.0024796400000000, 0.0000857600000000, 0.0016681100000000 ] - [ -0.0024801000000000, 0.0001188600000000, 0.0016677500000000 ] - [ 0.0024793900000000, -0.0000261100000000, 0.0016676700000000 ] - [ 0.0024797500000000, -0.0000261400000000, 0.0016679000000000 ] - [ 0.0025095000000000, 0.0000141700000000, 0.0016968400000000 ] - [ 0.0024557000000000, 0.0000142400000000, 0.0016954800000000 ] - [ 0.0024502000000000, 0.0000143700000000, 0.0016392100000000 ] - [ 0.0025035700000000, 0.0000143000000000, 0.0016408000000000 ] - [ -0.0024970600000000, -0.0000150200000000, -0.0016428900000000 ] - [ -0.0024632900000000, -0.0000062200000000, -0.0016614400000000 ] - [ -0.0024624500000000, -0.0000151200000000, -0.0016932500000000 ] - [ -0.0024963600000000, -0.0000062200000000, -0.0016745600000000 ] - [ -0.0024798000000000, 0.0000298100000000, -0.0016680200000000 ] - [ -0.0024798500000000, 0.0000122300000000, -0.0016680300000000 ] - [ -0.0153172300000000, -0.0000834900000000, -0.0082281500000000 ] - [ -0.0153173200000000, -0.0000161200000000, -0.0082281400000000 ] - [ -0.0153228200000000, 0.0000406900000000, -0.0082434800000000 ] - [ -0.0153162700000000, 0.0000088700000000, -0.0082270100000000 ] - [ -0.0153116300000000, 0.0000407900000000, -0.0082127100000000 ] - [ -0.0153183400000000, 0.0000088900000000, -0.0082292600000000 ] - [ 0.0153123700000000, -0.0000208500000000, 0.0082245600000000 ] - [ 0.0153660200000000, -0.0000519700000000, 0.0081123700000000 ] - [ 0.0153218800000000, -0.0000209800000000, 0.0082316400000000 ] - [ 0.0152683900000000, -0.0000524300000000, 0.0083445700000000 ] - [ 0.0153172000000000, 0.0000451100000000, 0.0082280900000000 ] - [ 0.0153172700000000, 0.0000906100000000, 0.0082282700000000 ] - [ -0.0153178700000000, -0.0002758200000000, 0.0082286500000000 ] - [ -0.0153172400000000, -0.0001343300000000, 0.0082281400000000 ] - [ -0.0151574400000000, 0.0001973200000000, 0.0081327000000000 ] - [ -0.0153958400000000, 0.0000955900000000, 0.0082191800000000 ] - [ -0.0154765100000000, 0.0001973100000000, 0.0083235300000000 ] - [ -0.0152388100000000, 0.0000958300000000, 0.0082370500000000 ] - [ 0.0135935700000000, 0.0013097400000000, -0.0081922500000000 ] - [ 0.0153564000000000, -0.0000302600000000, -0.0082397100000000 ] - [ 0.0170405600000000, 0.0013041400000000, -0.0082635600000000 ] - [ 0.0152779900000000, -0.0000304300000000, -0.0082165200000000 ] - [ 0.0153175700000000, 0.0003524700000000, -0.0082280000000000 ] - [ 0.0153171100000000, 0.0000585500000000, -0.0082280900000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0007596000000000, 0.0000000000000000, 0.0000220100000000 ] - [ -0.0009496500000000, 0.0000000000000000, -0.0002690500000000 ] - [ -0.0007855100000000, 0.0000064600000000, 0.0000353300000000 ] - [ -0.0008255400000000, 0.0001109300000000, -0.0000564300000000 ] - [ -0.0007855100000000, -0.0000064600000000, 0.0000353300000000 ] - [ -0.0008255400000000, -0.0001109300000000, -0.0000564300000000 ] - [ 0.0006265300000000, -0.0016590500000000, 0.0026222800000000 ] - [ 0.0007901100000000, 0.0000167800000000, -0.0000115000000000 ] - [ 0.0006265300000000, 0.0016590500000000, 0.0026222800000000 ] - [ 0.0007901100000000, -0.0000167800000000, -0.0000115000000000 ] - [ 0.0008304000000000, 0.0000000000000000, 0.0000631300000000 ] - [ 0.0007966500000000, 0.0000000000000000, -0.0000183100000000 ] - [ -0.0007820200000000, 0.0000000000000000, -0.0002325200000000 ] - [ -0.0008872400000000, 0.0000000000000000, -0.0001392400000000 ] - [ -0.0008005600000000, 0.0000335400000000, -0.0001563600000000 ] - [ -0.0008704800000000, 0.0000142600000000, -0.0001236000000000 ] - [ -0.0008005600000000, -0.0000335400000000, -0.0001563600000000 ] - [ -0.0008704800000000, -0.0000142600000000, -0.0001236000000000 ] - [ 0.0005391100000000, 0.0002265400000000, 0.0000595300000000 ] - [ 0.0009797500000000, 0.0001237100000000, 0.0000461500000000 ] - [ 0.0005391100000000, -0.0002265400000000, 0.0000595300000000 ] - [ 0.0009797500000000, -0.0001237100000000, 0.0000461500000000 ] - [ 0.0007542200000000, 0.0000000000000000, 0.0000593100000000 ] - [ 0.0008933200000000, 0.0000000000000000, 0.0000636600000000 ] - [ -0.0034731600000000, 0.0000000000000000, -0.0007142400000000 ] - [ -0.0035211900000000, 0.0000000000000000, -0.0002975400000000 ] - [ -0.0035722100000000, -0.0000527800000000, -0.0003899100000000 ] - [ -0.0035393300000000, -0.0000063000000000, -0.0002867300000000 ] - [ -0.0035722100000000, 0.0000527800000000, -0.0003899100000000 ] - [ -0.0035393300000000, 0.0000063000000000, -0.0002867300000000 ] - [ 0.0035278300000000, 0.0000349700000000, 0.0001085000000000 ] - [ 0.0035569900000000, 0.0000185600000000, 0.0000455900000000 ] - [ 0.0035278300000000, -0.0000349700000000, 0.0001085000000000 ] - [ 0.0035569900000000, -0.0000185600000000, 0.0000455900000000 ] - [ 0.0035376500000000, 0.0000000000000000, 0.0001416900000000 ] - [ 0.0035358200000000, 0.0000000000000000, 0.0001127200000000 ] - [ -0.0035694600000000, 0.0000000000000000, 0.0004638700000000 ] - [ -0.0035650600000000, 0.0000000000000000, 0.0006903700000000 ] - [ -0.0035859600000000, -0.0000422600000000, 0.0003922800000000 ] - [ -0.0035788100000000, 0.0000662000000000, 0.0004762700000000 ] - [ -0.0035859600000000, 0.0000422600000000, 0.0003922800000000 ] - [ -0.0035788100000000, -0.0000662000000000, 0.0004762700000000 ] - [ 0.0018925800000000, 0.0027219400000000, 0.0026560800000000 ] - [ 0.0035057700000000, -0.0000058500000000, -0.0001570100000000 ] - [ 0.0018925800000000, -0.0027219400000000, 0.0026560800000000 ] - [ 0.0035057700000000, 0.0000058500000000, -0.0001570100000000 ] - [ 0.0035377400000000, 0.0000000000000000, -0.0001169900000000 ] - [ 0.0035126100000000, 0.0000000000000000, -0.0001625700000000 ] - [ -0.0061072000000000, 0.0000000000000000, 0.0136036700000000 ] - [ -0.0163133800000000, 0.0000000000000000, 0.0086825100000000 ] - [ -0.0162534900000000, -0.0000859200000000, 0.0087614500000000 ] - [ -0.0163157000000000, 0.0000018900000000, 0.0086614000000000 ] - [ -0.0162534900000000, 0.0000859200000000, 0.0087614500000000 ] - [ -0.0163157000000000, -0.0000018900000000, 0.0086614000000000 ] - [ 0.0164536700000000, -0.0001446600000000, -0.0086697300000000 ] - [ 0.0160126800000000, 0.0000326700000000, -0.0087864700000000 ] - [ 0.0164536700000000, 0.0001446600000000, -0.0086697300000000 ] - [ 0.0160126800000000, -0.0000326700000000, -0.0087864700000000 ] - [ 0.0164320200000000, 0.0000000000000000, -0.0086688300000000 ] - [ 0.0163464400000000, 0.0000000000000000, -0.0086545800000000 ] - [ -0.0164090400000000, 0.0000000000000000, -0.0085936700000000 ] - [ -0.0163134700000000, 0.0000000000000000, -0.0088823200000000 ] - [ -0.0163274600000000, -0.0000116400000000, -0.0086275800000000 ] - [ -0.0162440300000000, -0.0000836600000000, -0.0086341300000000 ] - [ -0.0163274600000000, 0.0000116400000000, -0.0086275800000000 ] - [ -0.0162440300000000, 0.0000836600000000, -0.0086341300000000 ] - [ 0.0163191000000000, 0.0000034600000000, 0.0083997900000000 ] - [ 0.0163279200000000, 0.0000034500000000, 0.0085724000000000 ] - [ 0.0163191000000000, -0.0000034600000000, 0.0083997900000000 ] - [ 0.0163279200000000, -0.0000034500000000, 0.0085724000000000 ] - [ 0.0163348700000000, 0.0000000000000000, 0.0085502000000000 ] - [ 0.0163263100000000, 0.0000000000000000, 0.0085757500000000 ] - [ 0.0015757300000000, 0.0000000000000000, 0.0024381300000000 ] - [ 0.0002223100000000, 0.0000000000000000, -0.0019402300000000 ] - [ 0.0003759300000000, 0.0001822500000000, -0.0019370500000000 ] - [ 0.0002506000000000, 0.0000136700000000, -0.0019329400000000 ] - [ 0.0003759300000000, -0.0001822500000000, -0.0019370500000000 ] - [ 0.0002506000000000, -0.0000136700000000, -0.0019329400000000 ] - [ -0.0003241000000000, 0.0000322000000000, 0.0020005000000000 ] - [ -0.0002057400000000, 0.0000106100000000, 0.0020790600000000 ] - [ -0.0003241000000000, -0.0000322000000000, 0.0020005000000000 ] - [ -0.0002057400000000, -0.0000106100000000, 0.0020790600000000 ] - [ -0.0003101300000000, 0.0000000000000000, 0.0019699300000000 ] - [ -0.0002518800000000, 0.0000000000000000, 0.0019460200000000 ] - [ 0.0003566400000000, 0.0000000000000000, 0.0018385300000000 ] - [ -0.0010925300000000, 0.0000000000000000, 0.0029369200000000 ] - [ 0.0003273000000000, 0.0000339700000000, 0.0018688200000000 ] - [ 0.0001484400000000, 0.0001375600000000, 0.0018350600000000 ] - [ 0.0003273000000000, -0.0000339700000000, 0.0018688200000000 ] - [ 0.0001484400000000, -0.0001375600000000, 0.0018350600000000 ] - [ -0.0002575700000000, 0.0000652600000000, -0.0015160500000000 ] - [ -0.0002510600000000, 0.0000040200000000, -0.0018262900000000 ] - [ -0.0002575700000000, -0.0000652600000000, -0.0015160500000000 ] - [ -0.0002510600000000, -0.0000040200000000, -0.0018262900000000 ] - [ -0.0002776600000000, 0.0000000000000000, -0.0017998400000000 ] - [ -0.0002527300000000, 0.0000000000000000, -0.0018283100000000 ] - [ -0.0064915400000000, 0.0000000000000000, -0.0238020600000000 ] - [ 0.0024894300000000, 0.0000000000000000, -0.0017490300000000 ] - [ 0.0024914300000000, -0.0000439900000000, -0.0020624500000000 ] - [ 0.0024859300000000, 0.0000017300000000, -0.0017418200000000 ] - [ 0.0024914300000000, 0.0000439900000000, -0.0020624500000000 ] - [ 0.0024859300000000, -0.0000017300000000, -0.0017418200000000 ] - [ -0.0025703100000000, 0.0000300900000000, 0.0015915200000000 ] - [ -0.0016114900000000, 0.0005048300000000, 0.0021935100000000 ] - [ -0.0025703100000000, -0.0000300900000000, 0.0015915200000000 ] - [ -0.0016114900000000, -0.0005048300000000, 0.0021935100000000 ] - [ -0.0025594400000000, 0.0000000000000000, 0.0016030000000000 ] - [ -0.0024798200000000, 0.0000000000000000, 0.0016248000000000 ] - [ 0.0027511600000000, 0.0000000000000000, 0.0018694300000000 ] - [ 0.0023391500000000, 0.0000000000000000, 0.0018693000000000 ] - [ 0.0025137200000000, 0.0000272900000000, 0.0017381900000000 ] - [ 0.0024190200000000, 0.0000287900000000, 0.0017382500000000 ] - [ 0.0025137200000000, -0.0000272900000000, 0.0017381900000000 ] - [ 0.0024190200000000, -0.0000287900000000, 0.0017382500000000 ] - [ -0.0025091400000000, -0.0000252500000000, -0.0014798100000000 ] - [ -0.0024848100000000, -0.0000064900000000, -0.0015848800000000 ] - [ -0.0025091400000000, 0.0000252500000000, -0.0014798100000000 ] - [ -0.0024848100000000, 0.0000064900000000, -0.0015848800000000 ] - [ -0.0024918200000000, 0.0000000000000000, -0.0015693700000000 ] - [ -0.0024886800000000, 0.0000000000000000, -0.0016011600000000 ] - [ -0.0153099400000000, 0.0000000000000000, -0.0080472600000000 ] - [ -0.0153096900000000, 0.0000000000000000, -0.0081732600000000 ] - [ -0.0153003300000000, -0.0000217500000000, -0.0081103700000000 ] - [ -0.0153173700000000, 0.0000037000000000, -0.0081811300000000 ] - [ -0.0153003300000000, 0.0000217500000000, -0.0081103700000000 ] - [ -0.0153173700000000, -0.0000037000000000, -0.0081811300000000 ] - [ 0.0153581200000000, -0.0000351900000000, 0.0082547200000000 ] - [ 0.0152318200000000, -0.0001099700000000, 0.0084152100000000 ] - [ 0.0153581200000000, 0.0000351900000000, 0.0082547200000000 ] - [ 0.0152318200000000, 0.0001099700000000, 0.0084152100000000 ] - [ 0.0153400400000000, 0.0000000000000000, 0.0082568800000000 ] - [ 0.0153085900000000, 0.0000000000000000, 0.0082811100000000 ] - [ -0.0157484700000000, 0.0000000000000000, 0.0083727200000000 ] - [ -0.0151819200000000, 0.0000000000000000, 0.0082387500000000 ] - [ -0.0155016400000000, -0.0001788600000000, 0.0082582200000000 ] - [ -0.0151836100000000, -0.0001218500000000, 0.0082104300000000 ] - [ -0.0155016400000000, 0.0001788600000000, 0.0082582200000000 ] - [ -0.0151836100000000, 0.0001218500000000, 0.0082104300000000 ] - [ 0.0162709400000000, -0.0005492900000000, -0.0086007900000000 ] - [ 0.0153286800000000, 0.0000007500000000, -0.0083382400000000 ] - [ 0.0162709400000000, 0.0005492900000000, -0.0086007900000000 ] - [ 0.0153286800000000, -0.0000007500000000, -0.0083382400000000 ] - [ 0.0153201300000000, 0.0000000000000000, -0.0083307100000000 ] - [ 0.0153201000000000, 0.0000000000000000, -0.0083019200000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0008870900000000, 0.0000000000000000, 0.0000948000000000 ] - [ -0.0006956000000000, 0.0000000000000000, 0.0003873600000000 ] - [ -0.0008610500000000, -0.0000064500000000, 0.0000814300000000 ] - [ -0.0008209600000000, -0.0001113500000000, 0.0001734600000000 ] - [ -0.0008610500000000, 0.0000064500000000, 0.0000814300000000 ] - [ -0.0008209600000000, 0.0001113500000000, 0.0001734600000000 ] - [ 0.0010072100000000, 0.0015790800000000, -0.0026615800000000 ] - [ 0.0008568100000000, -0.0000168000000000, -0.0001051300000000 ] - [ 0.0010072100000000, -0.0015790800000000, -0.0026615800000000 ] - [ 0.0008568100000000, 0.0000168000000000, -0.0001051300000000 ] - [ 0.0008155600000000, 0.0000000000000000, -0.0001788500000000 ] - [ 0.0008502000000000, 0.0000000000000000, -0.0000983700000000 ] - [ -0.0008648900000000, 0.0000000000000000, 0.0001162900000000 ] - [ -0.0007589200000000, 0.0000000000000000, 0.0000227700000000 ] - [ -0.0008461500000000, -0.0000338000000000, 0.0000398100000000 ] - [ -0.0007757700000000, -0.0000143000000000, 0.0000071900000000 ] - [ -0.0008461500000000, 0.0000338000000000, 0.0000398100000000 ] - [ -0.0007757700000000, 0.0000143000000000, 0.0000071900000000 ] - [ 0.0011073300000000, -0.0002264700000000, 0.0000593400000000 ] - [ 0.0006667100000000, -0.0001237400000000, 0.0000709200000000 ] - [ 0.0011073300000000, 0.0002264700000000, 0.0000593400000000 ] - [ 0.0006667100000000, 0.0001237400000000, 0.0000709200000000 ] - [ 0.0008923600000000, 0.0000000000000000, 0.0000581400000000 ] - [ 0.0007532800000000, 0.0000000000000000, 0.0000533400000000 ] - [ -0.0036154600000000, 0.0000000000000000, 0.0002464700000000 ] - [ -0.0035676700000000, 0.0000000000000000, -0.0001700400000000 ] - [ -0.0035168300000000, 0.0000525900000000, -0.0000773900000000 ] - [ -0.0035494500000000, 0.0000062900000000, -0.0001808200000000 ] - [ -0.0035168300000000, -0.0000525900000000, -0.0000773900000000 ] - [ -0.0035494500000000, -0.0000062900000000, -0.0001808200000000 ] - [ 0.0035609700000000, -0.0000348800000000, 0.0003597500000000 ] - [ 0.0035321500000000, -0.0000185500000000, 0.0004227900000000 ] - [ 0.0035609700000000, 0.0000348800000000, 0.0003597500000000 ] - [ 0.0035321500000000, 0.0000185500000000, 0.0004227900000000 ] - [ 0.0035512100000000, 0.0000000000000000, 0.0003266000000000 ] - [ 0.0035532700000000, 0.0000000000000000, 0.0003555500000000 ] - [ -0.0035178100000000, 0.0000000000000000, 0.0000025600000000 ] - [ -0.0035207700000000, 0.0000000000000000, -0.0002251200000000 ] - [ -0.0035018400000000, 0.0000430100000000, 0.0000745100000000 ] - [ -0.0035108600000000, -0.0000660100000000, -0.0000091300000000 ] - [ -0.0035018400000000, -0.0000430100000000, 0.0000745100000000 ] - [ -0.0035108600000000, 0.0000660100000000, -0.0000091300000000 ] - [ 0.0052447300000000, -0.0028040700000000, -0.0031761800000000 ] - [ 0.0035835300000000, 0.0000057900000000, -0.0003110900000000 ] - [ 0.0052447300000000, 0.0028040700000000, -0.0031761800000000 ] - [ 0.0035835300000000, -0.0000057900000000, -0.0003110900000000 ] - [ 0.0035516800000000, 0.0000000000000000, -0.0003524700000000 ] - [ 0.0035767200000000, 0.0000000000000000, -0.0003055300000000 ] - [ -0.0262769400000000, 0.0000000000000000, 0.0036488100000000 ] - [ -0.0163289200000000, 0.0000000000000000, 0.0085573400000000 ] - [ -0.0163899200000000, 0.0000880600000000, 0.0084794000000000 ] - [ -0.0163265400000000, -0.0000017100000000, 0.0085781200000000 ] - [ -0.0163899200000000, -0.0000880600000000, 0.0084794000000000 ] - [ -0.0163265400000000, 0.0000017100000000, 0.0085781200000000 ] - [ 0.0161881900000000, 0.0001452800000000, -0.0085696100000000 ] - [ 0.0166308400000000, -0.0000333500000000, -0.0084524200000000 ] - [ 0.0161881900000000, -0.0001452800000000, -0.0085696100000000 ] - [ 0.0166308400000000, 0.0000333500000000, -0.0084524200000000 ] - [ 0.0162099700000000, 0.0000000000000000, -0.0085705200000000 ] - [ 0.0162954400000000, 0.0000000000000000, -0.0085848000000000 ] - [ -0.0162324600000000, 0.0000000000000000, -0.0086447600000000 ] - [ -0.0163274200000000, 0.0000000000000000, -0.0083558500000000 ] - [ -0.0163140200000000, 0.0000116700000000, -0.0086112500000000 ] - [ -0.0163972700000000, 0.0000835900000000, -0.0086052400000000 ] - [ -0.0163140200000000, -0.0000116700000000, -0.0086112500000000 ] - [ -0.0163972700000000, -0.0000835900000000, -0.0086052400000000 ] - [ 0.0163221000000000, -0.0000036200000000, 0.0088407100000000 ] - [ 0.0163135000000000, -0.0000034800000000, 0.0086671700000000 ] - [ 0.0163221000000000, 0.0000036200000000, 0.0088407100000000 ] - [ 0.0163135000000000, 0.0000034800000000, 0.0086671700000000 ] - [ 0.0163063000000000, 0.0000000000000000, 0.0086895100000000 ] - [ 0.0163150800000000, 0.0000000000000000, 0.0086638100000000 ] - [ -0.0010214800000000, 0.0000000000000000, -0.0061608200000000 ] - [ 0.0003206200000000, 0.0000000000000000, -0.0018224100000000 ] - [ 0.0001682500000000, -0.0001822900000000, -0.0018266600000000 ] - [ 0.0002924300000000, -0.0000137500000000, -0.0018297500000000 ] - [ 0.0001682500000000, 0.0001822900000000, -0.0018266600000000 ] - [ 0.0002924300000000, 0.0000137500000000, -0.0018297500000000 ] - [ -0.0002188000000000, -0.0000323600000000, 0.0017623000000000 ] - [ -0.0003377800000000, -0.0000106400000000, 0.0016832300000000 ] - [ -0.0002188000000000, 0.0000323600000000, 0.0017623000000000 ] - [ -0.0003377800000000, 0.0000106400000000, 0.0016832300000000 ] - [ -0.0002328600000000, 0.0000000000000000, 0.0017928800000000 ] - [ -0.0002912800000000, 0.0000000000000000, 0.0018167700000000 ] - [ 0.0001859600000000, 0.0000000000000000, 0.0019234200000000 ] - [ 0.0016170400000000, 0.0000000000000000, 0.0008357900000000 ] - [ 0.0002154600000000, -0.0000342300000000, 0.0018933300000000 ] - [ 0.0003947100000000, -0.0001376500000000, 0.0019272700000000 ] - [ 0.0002154600000000, 0.0000342300000000, 0.0018933300000000 ] - [ 0.0003947100000000, 0.0001376500000000, 0.0019272700000000 ] - [ -0.0002856400000000, -0.0000656600000000, -0.0022472900000000 ] - [ -0.0002922300000000, -0.0000040500000000, -0.0019362700000000 ] - [ -0.0002856400000000, 0.0000656600000000, -0.0022472900000000 ] - [ -0.0002922300000000, 0.0000040500000000, -0.0019362700000000 ] - [ -0.0002655200000000, 0.0000000000000000, -0.0019625100000000 ] - [ -0.0002906700000000, 0.0000000000000000, -0.0019342300000000 ] - [ 0.0111493700000000, 0.0000000000000000, 0.0203511600000000 ] - [ 0.0024701800000000, 0.0000000000000000, -0.0015894500000000 ] - [ 0.0024687800000000, 0.0000414700000000, -0.0012756200000000 ] - [ 0.0024739400000000, -0.0000018200000000, -0.0015967500000000 ] - [ 0.0024687800000000, -0.0000414700000000, -0.0012756200000000 ] - [ 0.0024739400000000, 0.0000018200000000, -0.0015967500000000 ] - [ -0.0023894900000000, -0.0000301900000000, 0.0017482500000000 ] - [ -0.0033590400000000, -0.0005130400000000, 0.0011383600000000 ] - [ -0.0023894900000000, 0.0000301900000000, 0.0017482500000000 ] - [ -0.0033590400000000, 0.0005130400000000, 0.0011383600000000 ] - [ -0.0024001900000000, 0.0000000000000000, 0.0017365000000000 ] - [ -0.0024796500000000, 0.0000000000000000, 0.0017146600000000 ] - [ 0.0022095600000000, 0.0000000000000000, 0.0014694600000000 ] - [ 0.0026208200000000, 0.0000000000000000, 0.0014694100000000 ] - [ 0.0024463800000000, -0.0000272800000000, 0.0016005800000000 ] - [ 0.0025409100000000, -0.0000287800000000, 0.0016006400000000 ] - [ 0.0024463800000000, 0.0000272800000000, 0.0016005800000000 ] - [ 0.0025409100000000, 0.0000287800000000, 0.0016006400000000 ] - [ -0.0024505200000000, 0.0000251000000000, -0.0018593600000000 ] - [ -0.0024752200000000, 0.0000065500000000, -0.0017541900000000 ] - [ -0.0024505200000000, -0.0000251000000000, -0.0018593600000000 ] - [ -0.0024752200000000, -0.0000065500000000, -0.0017541900000000 ] - [ -0.0024677700000000, 0.0000000000000000, -0.0017697300000000 ] - [ -0.0024712500000000, 0.0000000000000000, -0.0017378800000000 ] - [ -0.0153293400000000, 0.0000000000000000, -0.0084129700000000 ] - [ -0.0153293500000000, 0.0000000000000000, -0.0082866900000000 ] - [ -0.0153388600000000, 0.0000220100000000, -0.0083497900000000 ] - [ -0.0153216500000000, -0.0000036800000000, -0.0082787700000000 ] - [ -0.0153388600000000, -0.0000220100000000, -0.0083497900000000 ] - [ -0.0153216500000000, 0.0000036800000000, -0.0082787700000000 ] - [ 0.0152809200000000, 0.0000352200000000, 0.0082049800000000 ] - [ 0.0154069500000000, 0.0001101900000000, 0.0080444100000000 ] - [ 0.0152809200000000, -0.0000352200000000, 0.0082049800000000 ] - [ 0.0154069500000000, -0.0001101900000000, 0.0080444100000000 ] - [ 0.0152988800000000, 0.0000000000000000, 0.0082028800000000 ] - [ 0.0153305200000000, 0.0000000000000000, 0.0081786800000000 ] - [ -0.0148890500000000, 0.0000000000000000, 0.0080874500000000 ] - [ -0.0154572200000000, 0.0000000000000000, 0.0082215700000000 ] - [ -0.0151363800000000, 0.0001796900000000, 0.0082020000000000 ] - [ -0.0154561500000000, 0.0001225200000000, 0.0082497800000000 ] - [ -0.0151363800000000, -0.0001796900000000, 0.0082020000000000 ] - [ -0.0154561500000000, -0.0001225200000000, 0.0082497800000000 ] - [ 0.0143628700000000, 0.0005563800000000, -0.0078608700000000 ] - [ 0.0153106700000000, -0.0000006200000000, -0.0081215800000000 ] - [ 0.0143628700000000, -0.0005563800000000, -0.0078608700000000 ] - [ 0.0153106700000000, 0.0000006200000000, -0.0081215800000000 ] - [ 0.0153187700000000, 0.0000000000000000, -0.0081291200000000 ] - [ 0.0153189800000000, 0.0000000000000000, -0.0081578500000000 ]- atom: 121 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0009593800000000, 0.0000000000000000, 0.0000570200000000 ] - [ -0.0002059000000000, 0.0000000000000000, -0.0002389500000000 ] - [ -0.0009354800000000, -0.0000146800000000, 0.0000602200000000 ] - [ -0.0005528600000000, 0.0000190300000000, 0.0001047000000000 ] - [ -0.0009354800000000, 0.0000146800000000, 0.0000602200000000 ] - [ -0.0005528600000000, -0.0000190300000000, 0.0001047000000000 ] - [ 0.0009234300000000, 0.0000052100000000, -0.0001072900000000 ] - [ 0.0007463900000000, -0.0000053600000000, -0.0000433600000000 ] - [ 0.0009234300000000, -0.0000052100000000, -0.0001072900000000 ] - [ 0.0007463900000000, 0.0000053600000000, -0.0000433600000000 ] - [ 0.0008967600000000, 0.0000000000000000, -0.0000828200000000 ] - [ 0.0007551100000000, 0.0000000000000000, -0.0000433100000000 ] - [ -0.0012844100000000, 0.0000000000000000, -0.0004950500000000 ] - [ -0.0011038300000000, 0.0000000000000000, 0.0000188200000000 ] - [ -0.0008314200000000, -0.0002058100000000, -0.0001825400000000 ] - [ -0.0009519200000000, 0.0000929000000000, -0.0000521500000000 ] - [ -0.0008314200000000, 0.0002058100000000, -0.0001825400000000 ] - [ -0.0009519200000000, -0.0000929000000000, -0.0000521500000000 ] - [ 0.0008184400000000, 0.0000229700000000, 0.0001390600000000 ] - [ 0.0007957000000000, -0.0000611900000000, -0.0000539600000000 ] - [ 0.0008184400000000, -0.0000229700000000, 0.0001390600000000 ] - [ 0.0007957000000000, 0.0000611900000000, -0.0000539600000000 ] - [ 0.0008405400000000, 0.0000000000000000, 0.0001184500000000 ] - [ 0.0008066900000000, 0.0000000000000000, -0.0000064800000000 ] - [ -0.0015072400000000, 0.0000000000000000, -0.0017820000000000 ] - [ -0.0037413300000000, 0.0000000000000000, -0.0002704700000000 ] - [ -0.0032893500000000, -0.0001435500000000, -0.0000574600000000 ] - [ -0.0036677300000000, 0.0000246900000000, -0.0002717700000000 ] - [ -0.0032893500000000, 0.0001435500000000, -0.0000574600000000 ] - [ -0.0036677300000000, -0.0000246900000000, -0.0002717700000000 ] - [ 0.0031850900000000, -0.0000115500000000, 0.0002538800000000 ] - [ 0.0053152900000000, 0.0013608900000000, 0.0008831800000000 ] - [ 0.0031850900000000, 0.0000115500000000, 0.0002538800000000 ] - [ 0.0053152900000000, -0.0013608900000000, 0.0008831800000000 ] - [ 0.0034388300000000, 0.0000000000000000, 0.0002064500000000 ] - [ 0.0036069400000000, 0.0000000000000000, 0.0002635100000000 ] - [ -0.0035890000000000, 0.0000000000000000, 0.0002071700000000 ] - [ -0.0035041000000000, 0.0000000000000000, 0.0002560500000000 ] - [ -0.0035820600000000, -0.0000052600000000, 0.0002104800000000 ] - [ -0.0035065800000000, 0.0000113100000000, 0.0002515600000000 ] - [ -0.0035820600000000, 0.0000052600000000, 0.0002104800000000 ] - [ -0.0035065800000000, -0.0000113100000000, 0.0002515600000000 ] - [ 0.0036142000000000, -0.0000125500000000, -0.0003942600000000 ] - [ 0.0034515500000000, -0.0000080200000000, -0.0002061300000000 ] - [ 0.0036142000000000, 0.0000125500000000, -0.0003942600000000 ] - [ 0.0034515500000000, 0.0000080200000000, -0.0002061300000000 ] - [ 0.0036105300000000, 0.0000000000000000, -0.0002811200000000 ] - [ 0.0034600700000000, 0.0000000000000000, -0.0002146100000000 ] - [ -0.0162970900000000, 0.0000000000000000, 0.0086838400000000 ] - [ -0.0163552700000000, 0.0000000000000000, 0.0085865900000000 ] - [ -0.0162861100000000, -0.0000080400000000, 0.0086269900000000 ] - [ -0.0163604200000000, 0.0000046500000000, 0.0086070900000000 ] - [ -0.0162861100000000, 0.0000080400000000, 0.0086269900000000 ] - [ -0.0163604200000000, -0.0000046500000000, 0.0086070900000000 ] - [ 0.0162766400000000, 0.0000175400000000, -0.0086983800000000 ] - [ 0.0163383900000000, -0.0000015500000000, -0.0083094700000000 ] - [ 0.0162766400000000, -0.0000175400000000, -0.0086983800000000 ] - [ 0.0163383900000000, 0.0000015500000000, -0.0083094700000000 ] - [ 0.0162649100000000, 0.0000000000000000, -0.0086308700000000 ] - [ 0.0163847700000000, 0.0000000000000000, -0.0085945600000000 ] - [ -0.0164660700000000, 0.0000000000000000, -0.0085518000000000 ] - [ -0.0161521700000000, 0.0000000000000000, -0.0087828200000000 ] - [ -0.0164238300000000, 0.0000074600000000, -0.0085754700000000 ] - [ -0.0162728700000000, 0.0000327100000000, -0.0086661500000000 ] - [ -0.0164238300000000, -0.0000074600000000, -0.0085754700000000 ] - [ -0.0162728700000000, -0.0000327100000000, -0.0086661500000000 ] - [ 0.0202076200000000, -0.0071483800000000, 0.0107656100000000 ] - [ 0.0161703300000000, 0.0000040600000000, 0.0086551000000000 ] - [ 0.0202076200000000, 0.0071483800000000, 0.0107656100000000 ] - [ 0.0161703300000000, -0.0000040600000000, 0.0086551000000000 ] - [ 0.0165926200000000, 0.0000000000000000, 0.0087133500000000 ] - [ 0.0162487600000000, 0.0000000000000000, 0.0086198800000000 ] - [ 0.0002196400000000, 0.0000000000000000, -0.0020392900000000 ] - [ 0.0003682800000000, 0.0000000000000000, -0.0018136700000000 ] - [ 0.0002085100000000, 0.0000030700000000, -0.0019029300000000 ] - [ 0.0003388800000000, -0.0000060200000000, -0.0018604900000000 ] - [ 0.0002085100000000, -0.0000030700000000, -0.0019029300000000 ] - [ 0.0003388800000000, 0.0000060200000000, -0.0018604900000000 ] - [ -0.0001391800000000, -0.0000236500000000, 0.0020071400000000 ] - [ 0.0000274500000000, 0.0003520200000000, 0.0013093300000000 ] - [ -0.0001391800000000, 0.0000236500000000, 0.0020071400000000 ] - [ 0.0000274500000000, -0.0003520200000000, 0.0013093300000000 ] - [ -0.0002016400000000, 0.0000000000000000, 0.0019026500000000 ] - [ -0.0003112300000000, 0.0000000000000000, 0.0018452100000000 ] - [ 0.0003276400000000, 0.0000000000000000, 0.0018225500000000 ] - [ 0.0002160500000000, 0.0000000000000000, 0.0019755100000000 ] - [ 0.0003176200000000, 0.0000010100000000, 0.0018313300000000 ] - [ 0.0002342100000000, -0.0000130400000000, 0.0019344100000000 ] - [ 0.0003176200000000, -0.0000010100000000, 0.0018313300000000 ] - [ 0.0002342100000000, 0.0000130400000000, 0.0019344100000000 ] - [ 0.0001056200000000, -0.0010131700000000, 0.0000187300000000 ] - [ -0.0001526900000000, 0.0000081100000000, -0.0019063900000000 ] - [ 0.0001056200000000, 0.0010131700000000, 0.0000187300000000 ] - [ -0.0001526900000000, -0.0000081100000000, -0.0019063900000000 ] - [ -0.0004002200000000, 0.0000000000000000, -0.0019183400000000 ] - [ -0.0001863200000000, 0.0000000000000000, -0.0018863100000000 ] - [ 0.0023707100000000, 0.0000000000000000, -0.0016620200000000 ] - [ 0.0025604500000000, 0.0000000000000000, -0.0016619700000000 ] - [ 0.0024013900000000, 0.0000056000000000, -0.0016524600000000 ] - [ 0.0025515800000000, -0.0000011300000000, -0.0016694900000000 ] - [ 0.0024013900000000, -0.0000056000000000, -0.0016524600000000 ] - [ 0.0025515800000000, 0.0000011300000000, -0.0016694900000000 ] - [ -0.0023816600000000, -0.0000047500000000, 0.0017101300000000 ] - [ -0.0026357800000000, 0.0000488700000000, 0.0015840800000000 ] - [ -0.0023816600000000, 0.0000047500000000, 0.0017101300000000 ] - [ -0.0026357800000000, -0.0000488700000000, 0.0015840800000000 ] - [ -0.0023925500000000, 0.0000000000000000, 0.0016920500000000 ] - [ -0.0025670800000000, 0.0000000000000000, 0.0016604800000000 ] - [ 0.0026788300000000, 0.0000000000000000, 0.0015340900000000 ] - [ 0.0026423500000000, 0.0000000000000000, 0.0020999000000000 ] - [ 0.0026180700000000, 0.0000785800000000, 0.0015353300000000 ] - [ 0.0025188500000000, -0.0001587400000000, 0.0018534700000000 ] - [ 0.0026180700000000, -0.0000785800000000, 0.0015353300000000 ] - [ 0.0025188500000000, 0.0001587400000000, 0.0018534700000000 ] - [ 0.0008679600000000, -0.0017317300000000, -0.0026316500000000 ] - [ -0.0022214000000000, 0.0000389700000000, -0.0016804100000000 ] - [ 0.0008679600000000, 0.0017317300000000, -0.0026316500000000 ] - [ -0.0022214000000000, -0.0000389700000000, -0.0016804100000000 ] - [ -0.0026309400000000, 0.0000000000000000, -0.0016719800000000 ] - [ -0.0023849600000000, 0.0000000000000000, -0.0016719700000000 ] - [ -0.0372812500000000, 0.0000000000000000, -0.0134415700000000 ] - [ -0.0151547800000000, 0.0000000000000000, -0.0082101200000000 ] - [ -0.0154514400000000, -0.0001802200000000, -0.0081398500000000 ] - [ -0.0151918800000000, -0.0000104600000000, -0.0082118900000000 ] - [ -0.0154514400000000, 0.0001802200000000, -0.0081398500000000 ] - [ -0.0151918800000000, 0.0000104600000000, -0.0082118900000000 ] - [ 0.0154404800000000, -0.0000127800000000, 0.0082237200000000 ] - [ 0.0150735900000000, 0.0000723800000000, 0.0083703900000000 ] - [ 0.0154404800000000, 0.0000127800000000, 0.0082237200000000 ] - [ 0.0150735900000000, -0.0000723800000000, 0.0083703900000000 ] - [ 0.0154269400000000, 0.0000000000000000, 0.0082376700000000 ] - [ 0.0152103000000000, 0.0000000000000000, 0.0082283800000000 ] - [ -0.0152735500000000, 0.0000000000000000, 0.0083074100000000 ] - [ -0.0152731600000000, 0.0000000000000000, 0.0081225900000000 ] - [ -0.0152731300000000, 0.0000475300000000, 0.0082799100000000 ] - [ -0.0152730000000000, -0.0000975400000000, 0.0081374700000000 ] - [ -0.0152731300000000, -0.0000475300000000, 0.0082799100000000 ] - [ -0.0152730000000000, 0.0000975400000000, 0.0081374700000000 ] - [ 0.0153091600000000, -0.0000158800000000, -0.0082230400000000 ] - [ 0.0153500800000000, 0.0000094400000000, -0.0082304900000000 ] - [ 0.0153091600000000, 0.0000158800000000, -0.0082230400000000 ] - [ 0.0153500800000000, -0.0000094400000000, -0.0082304900000000 ] - [ 0.0152966900000000, 0.0000000000000000, -0.0082210500000000 ] - [ 0.0153476100000000, 0.0000000000000000, -0.0082381700000000 ]- atom: 121 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0006860800000000, 0.0000000000000000, 0.0000608200000000 ] - [ -0.0014415800000000, 0.0000000000000000, 0.0003567900000000 ] - [ -0.0007100300000000, 0.0000146100000000, 0.0000576600000000 ] - [ -0.0010955300000000, -0.0000191200000000, 0.0000146600000000 ] - [ -0.0007100300000000, -0.0000146100000000, 0.0000576600000000 ] - [ -0.0010955300000000, 0.0000191200000000, 0.0000146600000000 ] - [ 0.0007223800000000, -0.0000050200000000, -0.0000105000000000 ] - [ 0.0008996000000000, 0.0000054100000000, -0.0000746500000000 ] - [ 0.0007223800000000, 0.0000050200000000, -0.0000105000000000 ] - [ 0.0008996000000000, -0.0000054100000000, -0.0000746500000000 ] - [ 0.0007490400000000, 0.0000000000000000, -0.0000351600000000 ] - [ 0.0008910000000000, 0.0000000000000000, -0.0000745800000000 ] - [ -0.0003594800000000, 0.0000000000000000, 0.0003766500000000 ] - [ -0.0005408500000000, 0.0000000000000000, -0.0001376700000000 ] - [ -0.0008121100000000, 0.0002066900000000, 0.0000648000000000 ] - [ -0.0006939600000000, -0.0000936200000000, -0.0000659700000000 ] - [ -0.0008121100000000, -0.0002066900000000, 0.0000648000000000 ] - [ -0.0006939600000000, 0.0000936200000000, -0.0000659700000000 ] - [ 0.0008275500000000, -0.0000228800000000, -0.0000209700000000 ] - [ 0.0008501500000000, 0.0000616400000000, 0.0001727000000000 ] - [ 0.0008275500000000, 0.0000228800000000, -0.0000209700000000 ] - [ 0.0008501500000000, -0.0000616400000000, 0.0001727000000000 ] - [ 0.0008056000000000, 0.0000000000000000, -0.0000003900000000 ] - [ 0.0008391000000000, 0.0000000000000000, 0.0001249100000000 ] - [ -0.0055434800000000, 0.0000000000000000, 0.0012519100000000 ] - [ -0.0033447400000000, 0.0000000000000000, -0.0001969500000000 ] - [ -0.0037966600000000, 0.0001434400000000, -0.0004120700000000 ] - [ -0.0034188600000000, -0.0000249200000000, -0.0001957000000000 ] - [ -0.0037966600000000, -0.0001434400000000, -0.0004120700000000 ] - [ -0.0034188600000000, 0.0000249200000000, -0.0001957000000000 ] - [ 0.0039019200000000, 0.0000113600000000, 0.0002135100000000 ] - [ 0.0017254800000000, -0.0014166300000000, -0.0004431500000000 ] - [ 0.0039019200000000, -0.0000113600000000, 0.0002135100000000 ] - [ 0.0017254800000000, 0.0014166300000000, -0.0004431500000000 ] - [ 0.0036487100000000, 0.0000000000000000, 0.0002609500000000 ] - [ 0.0034762500000000, 0.0000000000000000, 0.0002022600000000 ] - [ -0.0034977500000000, 0.0000000000000000, 0.0002608600000000 ] - [ -0.0035832600000000, 0.0000000000000000, 0.0002117800000000 ] - [ -0.0035047000000000, 0.0000052400000000, 0.0002575300000000 ] - [ -0.0035807700000000, -0.0000113800000000, 0.0002162400000000 ] - [ -0.0035047000000000, -0.0000052400000000, 0.0002575300000000 ] - [ -0.0035807700000000, 0.0000113800000000, 0.0002162400000000 ] - [ 0.0034725600000000, 0.0000125100000000, -0.0000718800000000 ] - [ 0.0036356200000000, 0.0000080800000000, -0.0002616400000000 ] - [ 0.0034725600000000, -0.0000125100000000, -0.0000718800000000 ] - [ 0.0036356200000000, -0.0000080800000000, -0.0002616400000000 ] - [ 0.0034762500000000, 0.0000000000000000, -0.0001857100000000 ] - [ 0.0036270900000000, 0.0000000000000000, -0.0002530900000000 ] - [ -0.0163469300000000, 0.0000000000000000, 0.0085559100000000 ] - [ -0.0162886500000000, 0.0000000000000000, 0.0086529800000000 ] - [ -0.0163578100000000, 0.0000080600000000, 0.0086122400000000 ] - [ -0.0162833400000000, -0.0000046300000000, 0.0086322600000000 ] - [ -0.0163578100000000, -0.0000080600000000, 0.0086122400000000 ] - [ -0.0162833400000000, 0.0000046300000000, 0.0086322600000000 ] - [ 0.0163675300000000, -0.0000170900000000, -0.0085410800000000 ] - [ 0.0163050200000000, 0.0000014200000000, -0.0089316600000000 ] - [ 0.0163675300000000, 0.0000170900000000, -0.0085410800000000 ] - [ 0.0163050200000000, -0.0000014200000000, -0.0089316600000000 ] - [ 0.0163792800000000, 0.0000000000000000, -0.0086082700000000 ] - [ 0.0162584400000000, 0.0000000000000000, -0.0086442000000000 ] - [ -0.0161763800000000, 0.0000000000000000, -0.0086873000000000 ] - [ -0.0164924900000000, 0.0000000000000000, -0.0084557300000000 ] - [ -0.0162189500000000, -0.0000075200000000, -0.0086636700000000 ] - [ -0.0163714000000000, -0.0000328300000000, -0.0085726300000000 ] - [ -0.0162189500000000, 0.0000075200000000, -0.0086636700000000 ] - [ -0.0163714000000000, 0.0000328300000000, -0.0085726300000000 ] - [ 0.0124660100000000, 0.0069359100000000, 0.0065395900000000 ] - [ 0.0164731500000000, -0.0000040300000000, 0.0085837800000000 ] - [ 0.0124660100000000, -0.0069359100000000, 0.0065395900000000 ] - [ 0.0164731500000000, 0.0000040300000000, 0.0085837800000000 ] - [ 0.0160507600000000, 0.0000000000000000, 0.0085259300000000 ] - [ 0.0163939400000000, 0.0000000000000000, 0.0086193000000000 ] - [ 0.0003261200000000, 0.0000000000000000, -0.0017228300000000 ] - [ 0.0001772000000000, 0.0000000000000000, -0.0019475800000000 ] - [ 0.0003370100000000, -0.0000029900000000, -0.0018580400000000 ] - [ 0.0002064900000000, 0.0000060700000000, -0.0019007600000000 ] - [ 0.0003370100000000, 0.0000029900000000, -0.0018580400000000 ] - [ 0.0002064900000000, -0.0000060700000000, -0.0019007600000000 ] - [ -0.0004073500000000, 0.0000236600000000, 0.0017539500000000 ] - [ -0.0005770100000000, -0.0003566600000000, 0.0024584100000000 ] - [ -0.0004073500000000, -0.0000236600000000, 0.0017539500000000 ] - [ -0.0005770100000000, 0.0003566600000000, 0.0024584100000000 ] - [ -0.0003447900000000, 0.0000000000000000, 0.0018584600000000 ] - [ -0.0002334200000000, 0.0000000000000000, 0.0019153500000000 ] - [ 0.0002178100000000, 0.0000000000000000, 0.0019383900000000 ] - [ 0.0003300500000000, 0.0000000000000000, 0.0017850400000000 ] - [ 0.0002278500000000, -0.0000009900000000, 0.0019294600000000 ] - [ 0.0003118000000000, 0.0000130900000000, 0.0018265900000000 ] - [ 0.0002278500000000, 0.0000009900000000, 0.0019294600000000 ] - [ 0.0003118000000000, -0.0000130900000000, 0.0018265900000000 ] - [ -0.0006541500000000, 0.0010111500000000, -0.0037739200000000 ] - [ -0.0003935800000000, -0.0000081800000000, -0.0018543000000000 ] - [ -0.0006541500000000, -0.0010111500000000, -0.0037739200000000 ] - [ -0.0003935800000000, 0.0000081800000000, -0.0018543000000000 ] - [ -0.0001457300000000, 0.0000000000000000, -0.0018438200000000 ] - [ -0.0003597500000000, 0.0000000000000000, -0.0018744700000000 ] - [ 0.0025883500000000, 0.0000000000000000, -0.0016798700000000 ] - [ 0.0023978600000000, 0.0000000000000000, -0.0016796100000000 ] - [ 0.0025573300000000, -0.0000056100000000, -0.0016892600000000 ] - [ 0.0024067600000000, 0.0000011200000000, -0.0016720100000000 ] - [ 0.0025573300000000, 0.0000056100000000, -0.0016892600000000 ] - [ 0.0024067600000000, -0.0000011200000000, -0.0016720100000000 ] - [ -0.0025776100000000, 0.0000047400000000, 0.0016312200000000 ] - [ -0.0023217900000000, -0.0000488000000000, 0.0017572000000000 ] - [ -0.0025776100000000, -0.0000047400000000, 0.0016312200000000 ] - [ -0.0023217900000000, 0.0000488000000000, 0.0017572000000000 ] - [ -0.0025668500000000, 0.0000000000000000, 0.0016491800000000 ] - [ -0.0023909800000000, 0.0000000000000000, 0.0016806100000000 ] - [ 0.0022791100000000, 0.0000000000000000, 0.0018077800000000 ] - [ 0.0023154600000000, 0.0000000000000000, 0.0012387500000000 ] - [ 0.0023403100000000, -0.0000783700000000, 0.0018060700000000 ] - [ 0.0024398700000000, 0.0001603400000000, 0.0014866000000000 ] - [ 0.0023403100000000, 0.0000783700000000, 0.0018060700000000 ] - [ 0.0024398700000000, -0.0001603400000000, 0.0014866000000000 ] - [ -0.0057965600000000, 0.0017154600000000, -0.0007218600000000 ] - [ -0.0027387000000000, -0.0000393200000000, -0.0016607300000000 ] - [ -0.0057965600000000, -0.0017154600000000, -0.0007218600000000 ] - [ -0.0027387000000000, 0.0000393200000000, -0.0016607300000000 ] - [ -0.0023289900000000, 0.0000000000000000, -0.0016687200000000 ] - [ -0.0025737900000000, 0.0000000000000000, -0.0016693700000000 ] - [ 0.0065918200000000, 0.0000000000000000, -0.0030356000000000 ] - [ -0.0154862500000000, 0.0000000000000000, -0.0082500800000000 ] - [ -0.0151846200000000, 0.0001715900000000, -0.0083174500000000 ] - [ -0.0154489200000000, 0.0000107300000000, -0.0082483600000000 ] - [ -0.0151846200000000, -0.0001715900000000, -0.0083174500000000 ] - [ -0.0154489200000000, -0.0000107300000000, -0.0082483600000000 ] - [ 0.0151995900000000, 0.0000127300000000, 0.0082366100000000 ] - [ 0.0155683000000000, -0.0000723200000000, 0.0080907600000000 ] - [ 0.0151995900000000, -0.0000127300000000, 0.0082366100000000 ] - [ 0.0155683000000000, 0.0000723200000000, 0.0080907600000000 ] - [ 0.0152132500000000, 0.0000000000000000, 0.0082227600000000 ] - [ 0.0154306000000000, 0.0000000000000000, 0.0082328300000000 ] - [ -0.0153676300000000, 0.0000000000000000, 0.0081528100000000 ] - [ -0.0153672700000000, 0.0000000000000000, 0.0083383500000000 ] - [ -0.0153679000000000, -0.0000476300000000, 0.0081801300000000 ] - [ -0.0153675400000000, 0.0000983100000000, 0.0083234100000000 ] - [ -0.0153679000000000, 0.0000476300000000, 0.0081801300000000 ] - [ -0.0153675400000000, -0.0000983100000000, 0.0083234100000000 ] - [ 0.0153311000000000, 0.0000157700000000, -0.0082375500000000 ] - [ 0.0152903100000000, -0.0000095600000000, -0.0082299500000000 ] - [ 0.0153311000000000, -0.0000157700000000, -0.0082375500000000 ] - [ 0.0152903100000000, 0.0000095600000000, -0.0082299500000000 ] - [ 0.0153436000000000, 0.0000000000000000, -0.0082394700000000 ] - [ 0.0152927400000000, 0.0000000000000000, -0.0082221700000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008233600000000, 0.0000893600000000, 0.0000577600000000 ] - [ -0.0008238200000000, 0.0007451900000000, 0.0000530600000000 ] - [ -0.0008476400000000, -0.0000444200000000, 0.0000460300000000 ] - [ -0.0006595800000000, -0.0002699200000000, -0.0001544600000000 ] - [ -0.0007991800000000, -0.0000445500000000, 0.0000694500000000 ] - [ -0.0009885900000000, -0.0002715100000000, 0.0002692100000000 ] - [ 0.0008468900000000, 0.0000423100000000, -0.0001392500000000 ] - [ 0.0008261400000000, 0.0000141900000000, -0.0000643200000000 ] - [ 0.0007999400000000, 0.0000424500000000, 0.0000241600000000 ] - [ 0.0008211400000000, 0.0000142500000000, -0.0000510900000000 ] - [ 0.0008233900000000, -0.0000751200000000, -0.0000575100000000 ] - [ 0.0008236300000000, -0.0000280700000000, -0.0000576600000000 ] - [ -0.0008222300000000, 0.0007418700000000, -0.0000570200000000 ] - [ -0.0008236200000000, 0.0001980800000000, -0.0000576700000000 ] - [ -0.0010216000000000, -0.0003892700000000, -0.0001557100000000 ] - [ -0.0007445100000000, -0.0000999400000000, -0.0000597600000000 ] - [ -0.0006233400000000, -0.0003922300000000, 0.0000413300000000 ] - [ -0.0009023500000000, -0.0001000700000000, -0.0000557300000000 ] - [ 0.0008396900000000, 0.0000406200000000, 0.0000269600000000 ] - [ 0.0007857300000000, 0.0000491400000000, 0.0000233400000000 ] - [ 0.0008075300000000, 0.0000408800000000, 0.0000882500000000 ] - [ 0.0008617000000000, 0.0000495000000000, 0.0000924100000000 ] - [ 0.0008235600000000, -0.0000825000000000, 0.0000577200000000 ] - [ 0.0008237100000000, -0.0001010700000000, 0.0000580300000000 ] - [ -0.0035506900000000, 0.0007082400000000, -0.0002305000000000 ] - [ -0.0035458000000000, 0.0000571200000000, -0.0002337600000000 ] - [ -0.0036041000000000, -0.0002642000000000, 0.0000401000000000 ] - [ -0.0035089100000000, -0.0000283700000000, -0.0002244100000000 ] - [ -0.0034889900000000, -0.0002658700000000, -0.0005082600000000 ] - [ -0.0035823300000000, -0.0000284200000000, -0.0002431700000000 ] - [ 0.0038534700000000, 0.0000802000000000, 0.0001656800000000 ] - [ 0.0048300100000000, 0.0018135400000000, 0.0007193700000000 ] - [ 0.0032390500000000, 0.0000805500000000, 0.0003020100000000 ] - [ 0.0022046200000000, 0.0018576400000000, -0.0002780600000000 ] - [ 0.0035457600000000, -0.0001059500000000, 0.0002338800000000 ] - [ 0.0035470100000000, -0.0004244700000000, 0.0002343300000000 ] - [ -0.0035457900000000, 0.0000304200000000, 0.0002339500000000 ] - [ -0.0035460000000000, 0.0000745800000000, 0.0002339900000000 ] - [ -0.0035611400000000, -0.0000146000000000, 0.0002160400000000 ] - [ -0.0035303300000000, -0.0000357900000000, 0.0002191400000000 ] - [ -0.0035304900000000, -0.0000146400000000, 0.0002518300000000 ] - [ -0.0035615600000000, -0.0000359800000000, 0.0002487600000000 ] - [ 0.0035960600000000, 0.0000782800000000, 0.0000553700000000 ] - [ 0.0035430800000000, 0.0000175000000000, -0.0002203900000000 ] - [ 0.0034959800000000, 0.0000786600000000, -0.0005221500000000 ] - [ 0.0035488500000000, 0.0000175800000000, -0.0002473400000000 ] - [ 0.0035458100000000, -0.0001102900000000, -0.0002339300000000 ] - [ 0.0035459900000000, -0.0000354500000000, -0.0002338800000000 ] - [ -0.0163243000000000, 0.0000316600000000, 0.0086187500000000 ] - [ -0.0163247600000000, 0.0000212700000000, 0.0086187900000000 ] - [ -0.0163568900000000, -0.0000142000000000, 0.0086452800000000 ] - [ -0.0163337800000000, -0.0000086500000000, 0.0086305000000000 ] - [ -0.0162917300000000, -0.0000143600000000, 0.0085925700000000 ] - [ -0.0163149800000000, -0.0000092200000000, 0.0086071500000000 ] - [ 0.0163141300000000, 0.0000595000000000, -0.0085266200000000 ] - [ 0.0162362500000000, 0.0000390000000000, -0.0083853200000000 ] - [ 0.0163346300000000, 0.0000593300000000, -0.0087110300000000 ] - [ 0.0164120300000000, 0.0000392400000000, -0.0088531300000000 ] - [ 0.0163244900000000, -0.0001272100000000, -0.0086188100000000 ] - [ 0.0163242000000000, -0.0000654900000000, -0.0086191800000000 ] - [ -0.0163235000000000, 0.0000212200000000, -0.0086189800000000 ] - [ -0.0163234700000000, 0.0003354800000000, -0.0086186600000000 ] - [ -0.0164128100000000, -0.0000085000000000, -0.0085873300000000 ] - [ -0.0163158400000000, -0.0001815400000000, -0.0085707600000000 ] - [ -0.0162345500000000, -0.0000085000000000, -0.0086501200000000 ] - [ -0.0163320100000000, -0.0001819700000000, -0.0086666000000000 ] - [ 0.0117304000000000, 0.0104032100000000, 0.0063581300000000 ] - [ 0.0162532500000000, 0.0000243400000000, 0.0086390800000000 ] - [ 0.0213152200000000, 0.0110073300000000, 0.0110739700000000 ] - [ 0.0163948600000000, 0.0000245300000000, 0.0085983300000000 ] - [ 0.0163193400000000, -0.0012164000000000, 0.0086165100000000 ] - [ 0.0163239000000000, -0.0000459700000000, 0.0086187200000000 ] - [ 0.0002708300000000, -0.0000585100000000, -0.0018812600000000 ] - [ 0.0002707300000000, -0.0000187700000000, -0.0018815300000000 ] - [ 0.0002952800000000, 0.0000313900000000, -0.0019433600000000 ] - [ 0.0002567700000000, 0.0000094600000000, -0.0019072400000000 ] - [ 0.0002465400000000, 0.0000315300000000, -0.0018198600000000 ] - [ 0.0002845600000000, 0.0000096100000000, -0.0018562200000000 ] - [ -0.0003666900000000, -0.0000574800000000, 0.0017450700000000 ] - [ 0.0001426900000000, 0.0000671100000000, 0.0014115700000000 ] - [ -0.0001757400000000, -0.0000577400000000, 0.0020178700000000 ] - [ -0.0006862900000000, 0.0000675800000000, 0.0023545600000000 ] - [ -0.0002709600000000, 0.0001070200000000, 0.0018816500000000 ] - [ -0.0002709800000000, 0.0001745200000000, 0.0018820200000000 ] - [ 0.0002707400000000, -0.0000191600000000, 0.0018816300000000 ] - [ 0.0002707800000000, -0.0000858200000000, 0.0018815000000000 ] - [ 0.0002841100000000, 0.0000095600000000, 0.0018489100000000 ] - [ 0.0002412700000000, 0.0000557800000000, 0.0017959600000000 ] - [ 0.0002574200000000, 0.0000096100000000, 0.0019143000000000 ] - [ 0.0003003500000000, 0.0000557100000000, 0.0019664300000000 ] - [ -0.0017042800000000, 0.0012207400000000, -0.0047284500000000 ] - [ -0.0002481900000000, -0.0000209600000000, -0.0018948100000000 ] - [ 0.0011758000000000, 0.0012267100000000, 0.0009884000000000 ] - [ -0.0002936600000000, -0.0000209900000000, -0.0018681700000000 ] - [ -0.0002702400000000, 0.0003495800000000, -0.0018808100000000 ] - [ -0.0002709500000000, 0.0000424000000000, -0.0018814800000000 ] - [ 0.0024810700000000, -0.0000831900000000, -0.0016683900000000 ] - [ 0.0024809600000000, -0.0000161600000000, -0.0016682600000000 ] - [ 0.0024857500000000, 0.0000406300000000, -0.0016465400000000 ] - [ 0.0024847900000000, 0.0000087300000000, -0.0016719800000000 ] - [ 0.0024764800000000, 0.0000407200000000, -0.0016902900000000 ] - [ 0.0024773000000000, 0.0000088100000000, -0.0016646900000000 ] - [ -0.0024976700000000, -0.0000209100000000, 0.0016329600000000 ] - [ -0.0023934900000000, -0.0000520600000000, 0.0015580000000000 ] - [ -0.0024647300000000, -0.0000209900000000, 0.0017036000000000 ] - [ -0.0025677200000000, -0.0000524700000000, 0.0017782100000000 ] - [ -0.0024810700000000, 0.0000451500000000, 0.0016682800000000 ] - [ -0.0024809700000000, 0.0000905800000000, 0.0016684100000000 ] - [ 0.0024803800000000, -0.0001343300000000, 0.0016687600000000 ] - [ 0.0024812700000000, -0.0002758300000000, 0.0016686500000000 ] - [ 0.0026076500000000, 0.0000955600000000, 0.0015462800000000 ] - [ 0.0023754800000000, 0.0001978300000000, 0.0014883400000000 ] - [ 0.0023542100000000, 0.0000958300000000, 0.0017906200000000 ] - [ 0.0025861000000000, 0.0001971300000000, 0.0018468700000000 ] - [ -0.0058089600000000, 0.0013038500000000, -0.0011173000000000 ] - [ -0.0023346600000000, -0.0000302300000000, -0.0016690700000000 ] - [ 0.0008747200000000, 0.0013099100000000, -0.0022227600000000 ] - [ -0.0026281800000000, -0.0000304900000000, -0.0016674000000000 ] - [ -0.0024799900000000, 0.0003523900000000, -0.0016682000000000 ] - [ -0.0024813700000000, 0.0000587300000000, -0.0016682800000000 ] - [ -0.0156887900000000, -0.0381138500000000, -0.0084142800000000 ] - [ -0.0153188300000000, -0.0001033300000000, -0.0082296000000000 ] - [ -0.0151442600000000, 0.0037620900000000, -0.0081599100000000 ] - [ -0.0153081400000000, 0.0000512200000000, -0.0082217100000000 ] - [ -0.0154964900000000, 0.0037077900000000, -0.0083008500000000 ] - [ -0.0153294100000000, 0.0000512800000000, -0.0082374200000000 ] - [ 0.0153058300000000, -0.0000352800000000, 0.0082540900000000 ] - [ 0.0153911400000000, 0.0000856300000000, 0.0087168100000000 ] - [ 0.0153313200000000, -0.0000355800000000, 0.0082051500000000 ] - [ 0.0152464300000000, 0.0000865100000000, 0.0077392100000000 ] - [ 0.0153185500000000, 0.0000770900000000, 0.0082295700000000 ] - [ 0.0153187600000000, 0.0002305900000000, 0.0082292100000000 ] - [ -0.0153188400000000, -0.0001859700000000, 0.0082293300000000 ] - [ -0.0153185500000000, -0.0001859300000000, 0.0082297000000000 ] - [ -0.0152207900000000, 0.0001152900000000, 0.0082824500000000 ] - [ -0.0153662000000000, 0.0001153100000000, 0.0082879200000000 ] - [ -0.0154165500000000, 0.0001154400000000, 0.0081764600000000 ] - [ -0.0152710500000000, 0.0001154000000000, 0.0081716100000000 ] - [ 0.0153028100000000, -0.0000288100000000, -0.0082480700000000 ] - [ 0.0153281300000000, -0.0000177400000000, -0.0082321000000000 ] - [ 0.0153344300000000, -0.0000288600000000, -0.0082110800000000 ] - [ 0.0153091700000000, -0.0000178200000000, -0.0082271400000000 ] - [ 0.0153186200000000, 0.0000603300000000, -0.0082295900000000 ] - [ 0.0153186000000000, 0.0000374900000000, -0.0082296600000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0008560200000000, 0.0000000000000000, 0.0000796200000000 ] - [ -0.0012532500000000, 0.0000000000000000, 0.0028526500000000 ] - [ -0.0008529600000000, -0.0000022200000000, 0.0000779800000000 ] - [ -0.0006964100000000, -0.0001844600000000, 0.0001043600000000 ] - [ -0.0008529600000000, 0.0000022200000000, 0.0000779800000000 ] - [ -0.0006964100000000, 0.0001844600000000, 0.0001043600000000 ] - [ 0.0008832900000000, -0.0000191600000000, -0.0002475600000000 ] - [ 0.0008124200000000, -0.0000090600000000, -0.0000922200000000 ] - [ 0.0008832900000000, 0.0000191600000000, -0.0002475600000000 ] - [ 0.0008124200000000, 0.0000090600000000, -0.0000922200000000 ] - [ 0.0008741000000000, 0.0000000000000000, -0.0001477900000000 ] - [ 0.0008124300000000, 0.0000000000000000, -0.0000862800000000 ] - [ -0.0012715200000000, 0.0000000000000000, 0.0001076800000000 ] - [ -0.0007192000000000, 0.0000000000000000, 0.0000292700000000 ] - [ -0.0009496600000000, -0.0001048300000000, 0.0001218200000000 ] - [ -0.0007589700000000, -0.0000304500000000, 0.0000072900000000 ] - [ -0.0009496600000000, 0.0001048300000000, 0.0001218200000000 ] - [ -0.0007589700000000, 0.0000304500000000, 0.0000072900000000 ] - [ 0.0008683300000000, -0.0000349100000000, 0.0000234900000000 ] - [ 0.0007269200000000, -0.0000467800000000, -0.0000467600000000 ] - [ 0.0008683300000000, 0.0000349100000000, 0.0000234900000000 ] - [ 0.0007269200000000, 0.0000467800000000, -0.0000467600000000 ] - [ 0.0008451200000000, 0.0000000000000000, 0.0000455500000000 ] - [ 0.0007607100000000, 0.0000000000000000, 0.0000002600000000 ] - [ -0.0050197600000000, 0.0000000000000000, 0.0018943600000000 ] - [ -0.0036391200000000, 0.0000000000000000, -0.0001922800000000 ] - [ -0.0034304400000000, 0.0001081100000000, -0.0001365200000000 ] - [ -0.0035949300000000, 0.0000093500000000, -0.0002043200000000 ] - [ -0.0034304400000000, -0.0001081100000000, -0.0001365200000000 ] - [ -0.0035949300000000, -0.0000093500000000, -0.0002043200000000 ] - [ 0.0035663600000000, -0.0000177500000000, 0.0002968500000000 ] - [ 0.0043068500000000, 0.0006623100000000, 0.0008265800000000 ] - [ 0.0035663600000000, 0.0000177500000000, 0.0002968500000000 ] - [ 0.0043068500000000, -0.0006623100000000, 0.0008265800000000 ] - [ 0.0035416800000000, 0.0000000000000000, 0.0002834300000000 ] - [ 0.0035605100000000, 0.0000000000000000, 0.0003693400000000 ] - [ -0.0035602700000000, 0.0000000000000000, 0.0001563400000000 ] - [ -0.0035102200000000, 0.0000000000000000, 0.0000463700000000 ] - [ -0.0035551200000000, 0.0000026700000000, 0.0001659900000000 ] - [ -0.0035169700000000, -0.0000307300000000, 0.0000930800000000 ] - [ -0.0035551200000000, -0.0000026700000000, 0.0001659900000000 ] - [ -0.0035169700000000, 0.0000307300000000, 0.0000930800000000 ] - [ 0.0034895700000000, -0.0000063100000000, -0.0005400400000000 ] - [ 0.0035653400000000, 0.0000057000000000, -0.0002825600000000 ] - [ 0.0034895700000000, 0.0000063100000000, -0.0005400400000000 ] - [ 0.0035653400000000, -0.0000057000000000, -0.0002825600000000 ] - [ 0.0035434700000000, 0.0000000000000000, -0.0003274700000000 ] - [ 0.0035573900000000, 0.0000000000000000, -0.0002774900000000 ] - [ -0.0163207800000000, 0.0000000000000000, 0.0084515000000000 ] - [ -0.0163271600000000, 0.0000000000000000, 0.0085636800000000 ] - [ -0.0163335300000000, 0.0000025500000000, 0.0085464500000000 ] - [ -0.0163323500000000, -0.0000006300000000, 0.0085795900000000 ] - [ -0.0163335300000000, -0.0000025500000000, 0.0085464500000000 ] - [ -0.0163323500000000, 0.0000006300000000, 0.0085795900000000 ] - [ 0.0162532900000000, 0.0000182600000000, -0.0086001500000000 ] - [ 0.0164001200000000, 0.0000188800000000, -0.0086521300000000 ] - [ 0.0162532900000000, -0.0000182600000000, -0.0086001500000000 ] - [ 0.0164001200000000, -0.0000188800000000, -0.0086521300000000 ] - [ 0.0162609100000000, 0.0000000000000000, -0.0085852800000000 ] - [ 0.0163168300000000, 0.0000000000000000, -0.0085989900000000 ] - [ -0.0162655400000000, 0.0000000000000000, -0.0086633500000000 ] - [ -0.0164371400000000, 0.0000000000000000, -0.0088803900000000 ] - [ -0.0163258600000000, 0.0000084800000000, -0.0086327900000000 ] - [ -0.0165019000000000, 0.0002235100000000, -0.0086926500000000 ] - [ -0.0163258600000000, -0.0000084800000000, -0.0086327900000000 ] - [ -0.0165019000000000, -0.0002235100000000, -0.0086926500000000 ] - [ 0.0183348800000000, -0.0033421800000000, 0.0092484700000000 ] - [ 0.0162825100000000, -0.0000032900000000, 0.0086754200000000 ] - [ 0.0183348800000000, 0.0033421800000000, 0.0092484700000000 ] - [ 0.0162825100000000, 0.0000032900000000, 0.0086754200000000 ] - [ 0.0164120800000000, 0.0000000000000000, 0.0087408900000000 ] - [ 0.0163026800000000, 0.0000000000000000, 0.0086601500000000 ] - [ 0.0001817100000000, 0.0000000000000000, -0.0015928100000000 ] - [ 0.0003254300000000, 0.0000000000000000, -0.0017915300000000 ] - [ 0.0002167000000000, -0.0000298600000000, -0.0017879700000000 ] - [ 0.0003053500000000, -0.0000062600000000, -0.0018249500000000 ] - [ 0.0002167000000000, 0.0000298600000000, -0.0017879700000000 ] - [ 0.0003053500000000, 0.0000062600000000, -0.0018249500000000 ] - [ -0.0002150400000000, -0.0000153700000000, 0.0018111600000000 ] - [ -0.0005695900000000, -0.0002271300000000, 0.0018589500000000 ] - [ -0.0002150400000000, 0.0000153700000000, 0.0018111600000000 ] - [ -0.0005695900000000, 0.0002271300000000, 0.0018589500000000 ] - [ -0.0002317100000000, 0.0000000000000000, 0.0018372600000000 ] - [ -0.0002985000000000, 0.0000000000000000, 0.0018120600000000 ] - [ 0.0002618600000000, 0.0000000000000000, 0.0019244800000000 ] - [ 0.0003005900000000, 0.0000000000000000, 0.0020545800000000 ] - [ 0.0002710500000000, -0.0000056700000000, 0.0019067000000000 ] - [ 0.0003226500000000, -0.0000599500000000, 0.0020624200000000 ] - [ 0.0002710500000000, 0.0000056700000000, 0.0019067000000000 ] - [ 0.0003226500000000, 0.0000599500000000, 0.0020624200000000 ] - [ 0.0008933700000000, -0.0012927600000000, 0.0006220100000000 ] - [ -0.0002900800000000, -0.0000024000000000, -0.0019299600000000 ] - [ 0.0008933700000000, 0.0012927600000000, 0.0006220100000000 ] - [ -0.0002900800000000, 0.0000024000000000, -0.0019299600000000 ] - [ -0.0002833200000000, 0.0000000000000000, -0.0019903000000000 ] - [ -0.0002829700000000, 0.0000000000000000, -0.0019204800000000 ] - [ 0.0024825200000000, 0.0000000000000000, -0.0014880600000000 ] - [ 0.0024934200000000, 0.0000000000000000, -0.0016143200000000 ] - [ 0.0024743200000000, 0.0000154500000000, -0.0015513300000000 ] - [ 0.0024942900000000, -0.0000011200000000, -0.0016222300000000 ] - [ 0.0024743200000000, -0.0000154500000000, -0.0015513300000000 ] - [ 0.0024942900000000, 0.0000011200000000, -0.0016222300000000 ] - [ -0.0024309900000000, -0.0000035600000000, 0.0016960000000000 ] - [ -0.0026073800000000, -0.0001167800000000, 0.0018567400000000 ] - [ -0.0024309900000000, 0.0000035600000000, 0.0016960000000000 ] - [ -0.0026073800000000, 0.0001167800000000, 0.0018567400000000 ] - [ -0.0024190400000000, 0.0000000000000000, 0.0016982100000000 ] - [ -0.0025011500000000, 0.0000000000000000, 0.0017221500000000 ] - [ 0.0023232900000000, 0.0000000000000000, 0.0016800000000000 ] - [ 0.0027215900000000, 0.0000000000000000, 0.0018138900000000 ] - [ 0.0024673000000000, -0.0000089900000000, 0.0016519700000000 ] - [ 0.0025898200000000, -0.0000953700000000, 0.0016994800000000 ] - [ 0.0024673000000000, 0.0000089900000000, 0.0016519700000000 ] - [ 0.0025898200000000, 0.0000953700000000, 0.0016994800000000 ] - [ -0.0027098200000000, -0.0000330500000000, -0.0020392600000000 ] - [ -0.0024129300000000, 0.0000116400000000, -0.0017792200000000 ] - [ -0.0027098200000000, 0.0000330500000000, -0.0020392600000000 ] - [ -0.0024129300000000, -0.0000116400000000, -0.0017792200000000 ] - [ -0.0025033500000000, 0.0000000000000000, -0.0017717600000000 ] - [ -0.0024497200000000, 0.0000000000000000, -0.0017430200000000 ] - [ -0.0205365500000000, 0.0000000000000000, -0.0206463100000000 ] - [ -0.0153005200000000, 0.0000000000000000, -0.0082717700000000 ] - [ -0.0152308600000000, -0.0000726000000000, -0.0085278300000000 ] - [ -0.0153021800000000, -0.0000078000000000, -0.0082641500000000 ] - [ -0.0152308600000000, 0.0000726000000000, -0.0085278300000000 ] - [ -0.0153021800000000, 0.0000078000000000, -0.0082641500000000 ] - [ 0.0153138600000000, 0.0000244300000000, 0.0082294800000000 ] - [ 0.0154596000000000, 0.0004856900000000, 0.0086168500000000 ] - [ 0.0153138600000000, -0.0000244300000000, 0.0082294800000000 ] - [ 0.0154596000000000, -0.0004856900000000, 0.0086168500000000 ] - [ 0.0153277300000000, 0.0000000000000000, 0.0082275700000000 ] - [ 0.0153182400000000, 0.0000000000000000, 0.0082318200000000 ] - [ -0.0152124100000000, 0.0000000000000000, 0.0082730900000000 ] - [ -0.0153977000000000, 0.0000000000000000, 0.0082730700000000 ] - [ -0.0152272500000000, 0.0000582300000000, 0.0082665700000000 ] - [ -0.0153702200000000, 0.0000529200000000, 0.0082665100000000 ] - [ -0.0152272500000000, -0.0000582300000000, 0.0082665700000000 ] - [ -0.0153702200000000, -0.0000529200000000, 0.0082665100000000 ] - [ 0.0153132600000000, 0.0000184400000000, -0.0081399300000000 ] - [ 0.0153205800000000, 0.0000025000000000, -0.0081643800000000 ] - [ 0.0153132600000000, -0.0000184400000000, -0.0081399300000000 ] - [ 0.0153205800000000, -0.0000025000000000, -0.0081643800000000 ] - [ 0.0153112300000000, 0.0000000000000000, -0.0081714900000000 ] - [ 0.0153283100000000, 0.0000000000000000, -0.0081746300000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0007898600000000, 0.0000000000000000, 0.0000386100000000 ] - [ -0.0004304200000000, 0.0000000000000000, -0.0025898000000000 ] - [ -0.0007929600000000, 0.0000022700000000, 0.0000402400000000 ] - [ -0.0009495100000000, 0.0001843300000000, 0.0000148200000000 ] - [ -0.0007929600000000, -0.0000022700000000, 0.0000402400000000 ] - [ -0.0009495100000000, -0.0001843300000000, 0.0000148200000000 ] - [ 0.0007625400000000, 0.0000192400000000, 0.0001302000000000 ] - [ 0.0008335500000000, 0.0000091200000000, -0.0000256700000000 ] - [ 0.0007625400000000, -0.0000192400000000, 0.0001302000000000 ] - [ 0.0008335500000000, -0.0000091200000000, -0.0000256700000000 ] - [ 0.0007717100000000, 0.0000000000000000, 0.0000300900000000 ] - [ 0.0008337000000000, 0.0000000000000000, -0.0000315000000000 ] - [ -0.0003739100000000, 0.0000000000000000, -0.0002235000000000 ] - [ -0.0009273500000000, 0.0000000000000000, -0.0001467900000000 ] - [ -0.0006960500000000, 0.0001051400000000, -0.0002382500000000 ] - [ -0.0008872600000000, 0.0000305700000000, -0.0001250300000000 ] - [ -0.0006960500000000, -0.0001051400000000, -0.0002382500000000 ] - [ -0.0008872600000000, -0.0000305700000000, -0.0001250300000000 ] - [ 0.0007773000000000, 0.0000351600000000, 0.0000943300000000 ] - [ 0.0009194500000000, 0.0000468800000000, 0.0001649600000000 ] - [ 0.0007773000000000, -0.0000351600000000, 0.0000943300000000 ] - [ 0.0009194500000000, -0.0000468800000000, 0.0001649600000000 ] - [ 0.0008006400000000, 0.0000000000000000, 0.0000721700000000 ] - [ 0.0008855500000000, 0.0000000000000000, 0.0001178300000000 ] - [ -0.0019926900000000, 0.0000000000000000, -0.0024369300000000 ] - [ -0.0034475600000000, 0.0000000000000000, -0.0002754000000000 ] - [ -0.0036572500000000, -0.0001079900000000, -0.0003325500000000 ] - [ -0.0034918400000000, -0.0000093800000000, -0.0002633000000000 ] - [ -0.0036572500000000, 0.0001079900000000, -0.0003325500000000 ] - [ -0.0034918400000000, 0.0000093800000000, -0.0002633000000000 ] - [ 0.0035217700000000, 0.0000179500000000, 0.0001707600000000 ] - [ 0.0027723000000000, -0.0006693200000000, -0.0003560900000000 ] - [ 0.0035217700000000, -0.0000179500000000, 0.0001707600000000 ] - [ 0.0027723000000000, 0.0006693200000000, -0.0003560900000000 ] - [ 0.0035456900000000, 0.0000000000000000, 0.0001844700000000 ] - [ 0.0035252600000000, 0.0000000000000000, 0.0000974700000000 ] - [ -0.0035268900000000, 0.0000000000000000, 0.0003117100000000 ] - [ -0.0035764700000000, 0.0000000000000000, 0.0004214100000000 ] - [ -0.0035320200000000, -0.0000026700000000, 0.0003019800000000 ] - [ -0.0035698400000000, 0.0000305500000000, 0.0003749700000000 ] - [ -0.0035320200000000, 0.0000026700000000, 0.0003019800000000 ] - [ -0.0035698400000000, -0.0000305500000000, 0.0003749700000000 ] - [ 0.0035970900000000, 0.0000063100000000, 0.0000725400000000 ] - [ 0.0035217800000000, -0.0000056400000000, -0.0001848200000000 ] - [ 0.0035970900000000, -0.0000063100000000, 0.0000725400000000 ] - [ 0.0035217800000000, 0.0000056400000000, -0.0001848200000000 ] - [ 0.0035434500000000, 0.0000000000000000, -0.0001397500000000 ] - [ 0.0035296600000000, 0.0000000000000000, -0.0001899000000000 ] - [ -0.0163229500000000, 0.0000000000000000, 0.0087883500000000 ] - [ -0.0163161700000000, 0.0000000000000000, 0.0086756200000000 ] - [ -0.0163099800000000, -0.0000025800000000, 0.0086926800000000 ] - [ -0.0163109100000000, 0.0000006100000000, 0.0086595500000000 ] - [ -0.0163099800000000, 0.0000025800000000, 0.0086926800000000 ] - [ -0.0163109100000000, -0.0000006100000000, 0.0086595500000000 ] - [ 0.0163899100000000, -0.0000178200000000, -0.0086385400000000 ] - [ 0.0162439000000000, -0.0000186900000000, -0.0085857000000000 ] - [ 0.0163899100000000, 0.0000178200000000, -0.0086385400000000 ] - [ 0.0162439000000000, 0.0000186900000000, -0.0085857000000000 ] - [ 0.0163823400000000, 0.0000000000000000, -0.0086533100000000 ] - [ 0.0163266400000000, 0.0000000000000000, -0.0086394900000000 ] - [ -0.0163767600000000, 0.0000000000000000, -0.0085755200000000 ] - [ -0.0162045200000000, 0.0000000000000000, -0.0083580200000000 ] - [ -0.0163160500000000, -0.0000085400000000, -0.0086062500000000 ] - [ -0.0161392400000000, -0.0002247000000000, -0.0085463300000000 ] - [ -0.0163160500000000, 0.0000085400000000, -0.0086062500000000 ] - [ -0.0161392400000000, 0.0002247000000000, -0.0085463300000000 ] - [ 0.0143157400000000, 0.0033337400000000, 0.0079442000000000 ] - [ 0.0163599700000000, 0.0000032600000000, 0.0085638000000000 ] - [ 0.0143157400000000, -0.0033337400000000, 0.0079442000000000 ] - [ 0.0163599700000000, -0.0000032600000000, 0.0085638000000000 ] - [ 0.0162293000000000, 0.0000000000000000, 0.0084982800000000 ] - [ 0.0163397200000000, 0.0000000000000000, 0.0085791400000000 ] - [ 0.0003638600000000, 0.0000000000000000, -0.0021684400000000 ] - [ 0.0002198100000000, 0.0000000000000000, -0.0019684600000000 ] - [ 0.0003287600000000, 0.0000299900000000, -0.0019721300000000 ] - [ 0.0002396300000000, 0.0000062700000000, -0.0019352200000000 ] - [ 0.0003287600000000, -0.0000299900000000, -0.0019721300000000 ] - [ 0.0002396300000000, -0.0000062700000000, -0.0019352200000000 ] - [ -0.0003303100000000, 0.0000153600000000, 0.0019488100000000 ] - [ 0.0000241100000000, 0.0002264000000000, 0.0019006900000000 ] - [ -0.0003303100000000, -0.0000153600000000, 0.0019488100000000 ] - [ 0.0000241100000000, -0.0002264000000000, 0.0019006900000000 ] - [ -0.0003135600000000, 0.0000000000000000, 0.0019231400000000 ] - [ -0.0002465400000000, 0.0000000000000000, 0.0019482300000000 ] - [ 0.0002833900000000, 0.0000000000000000, 0.0018362600000000 ] - [ 0.0002444800000000, 0.0000000000000000, 0.0017060600000000 ] - [ 0.0002741500000000, 0.0000057100000000, 0.0018540800000000 ] - [ 0.0002221900000000, 0.0000602700000000, 0.0016975700000000 ] - [ 0.0002741500000000, -0.0000057100000000, 0.0018540800000000 ] - [ 0.0002221900000000, -0.0000602700000000, 0.0016975700000000 ] - [ -0.0014321100000000, 0.0012837900000000, -0.0043695100000000 ] - [ -0.0002551600000000, 0.0000024000000000, -0.0018303300000000 ] - [ -0.0014321100000000, -0.0012837900000000, -0.0043695100000000 ] - [ -0.0002551600000000, -0.0000024000000000, -0.0018303300000000 ] - [ -0.0002617500000000, 0.0000000000000000, -0.0017703600000000 ] - [ -0.0002623000000000, 0.0000000000000000, -0.0018397500000000 ] - [ 0.0024754400000000, 0.0000000000000000, -0.0018533600000000 ] - [ 0.0024642400000000, 0.0000000000000000, -0.0017270600000000 ] - [ 0.0024837200000000, -0.0000153200000000, -0.0017899800000000 ] - [ 0.0024633700000000, 0.0000011200000000, -0.0017191300000000 ] - [ 0.0024837200000000, 0.0000153200000000, -0.0017899800000000 ] - [ 0.0024633700000000, -0.0000011200000000, -0.0017191300000000 ] - [ -0.0025269000000000, 0.0000035400000000, 0.0016454800000000 ] - [ -0.0023510600000000, 0.0001155100000000, 0.0014852900000000 ] - [ -0.0025269000000000, -0.0000035400000000, 0.0016454800000000 ] - [ -0.0023510600000000, -0.0001155100000000, 0.0014852900000000 ] - [ -0.0025388300000000, 0.0000000000000000, 0.0016432900000000 ] - [ -0.0024567300000000, 0.0000000000000000, 0.0016192200000000 ] - [ 0.0026350800000000, 0.0000000000000000, 0.0016622400000000 ] - [ 0.0022354000000000, 0.0000000000000000, 0.0015278000000000 ] - [ 0.0024900900000000, 0.0000088100000000, 0.0016904600000000 ] - [ 0.0023679300000000, 0.0000955000000000, 0.0016424900000000 ] - [ 0.0024900900000000, -0.0000088100000000, 0.0016904600000000 ] - [ 0.0023679300000000, -0.0000955000000000, 0.0016424900000000 ] - [ -0.0022607700000000, 0.0000382300000000, -0.0012985400000000 ] - [ -0.0025451200000000, -0.0000115900000000, -0.0015618200000000 ] - [ -0.0022607700000000, -0.0000382300000000, -0.0012985400000000 ] - [ -0.0025451200000000, 0.0000115900000000, -0.0015618200000000 ] - [ -0.0024545400000000, 0.0000000000000000, -0.0015694200000000 ] - [ -0.0025082300000000, 0.0000000000000000, -0.0015981700000000 ] - [ -0.0101289800000000, 0.0000000000000000, 0.0041548000000000 ] - [ -0.0153402400000000, 0.0000000000000000, -0.0081883900000000 ] - [ -0.0154083300000000, 0.0000681200000000, -0.0079324100000000 ] - [ -0.0153385600000000, 0.0000077300000000, -0.0081960200000000 ] - [ -0.0154083300000000, -0.0000681200000000, -0.0079324100000000 ] - [ -0.0153385600000000, -0.0000077300000000, -0.0081960200000000 ] - [ 0.0153266300000000, -0.0000245700000000, 0.0082312000000000 ] - [ 0.0151797300000000, -0.0004921000000000, 0.0078379000000000 ] - [ 0.0153266300000000, 0.0000245700000000, 0.0082312000000000 ] - [ 0.0151797300000000, 0.0004921000000000, 0.0078379000000000 ] - [ 0.0153126300000000, 0.0000000000000000, 0.0082331100000000 ] - [ 0.0153223900000000, 0.0000000000000000, 0.0082289000000000 ] - [ -0.0154281200000000, 0.0000000000000000, 0.0081871200000000 ] - [ -0.0152431100000000, 0.0000000000000000, 0.0081871500000000 ] - [ -0.0154131100000000, -0.0000580900000000, 0.0081937200000000 ] - [ -0.0152703600000000, -0.0000531300000000, 0.0081936600000000 ] - [ -0.0154131100000000, 0.0000580900000000, 0.0081937200000000 ] - [ -0.0152703600000000, 0.0000531300000000, 0.0081936600000000 ] - [ 0.0153275000000000, -0.0000186200000000, -0.0083203300000000 ] - [ 0.0153198600000000, -0.0000025400000000, -0.0082958400000000 ] - [ 0.0153275000000000, 0.0000186200000000, -0.0083203300000000 ] - [ 0.0153198600000000, 0.0000025400000000, -0.0082958400000000 ] - [ 0.0153294600000000, 0.0000000000000000, -0.0082887200000000 ] - [ 0.0153120700000000, 0.0000000000000000, -0.0082856200000000 ]