# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/645b8dfe-bcc2-44ef-93a8-b38bad42be05/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 HfAg2S3 / Cmce (64) / materials id 28941](https://mdr.nims.go.jp/datasets/b395f775-1abe-49cc-a948-1f5c40ce1bae) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Cmce" number: 64 Hall_symbol: "-C 2bc 2"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 5.666774945000000, -3.302990095000000, 0.000000000000000 ] # a - [ 5.666774945000000, 3.302990095000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.387304580000000 ] # c points: - symbol: S # 1 coordinates: [ 0.384930030000000, 0.615069970000000, 0.374994400000000 ] mass: 32.065000 - symbol: S # 2 coordinates: [ 0.115069970000000, 0.884930030000000, 0.874994400000000 ] mass: 32.065000 - symbol: S # 3 coordinates: [ 0.884930030000000, 0.115069970000000, 0.125005600000000 ] mass: 32.065000 - symbol: S # 4 coordinates: [ 0.615069970000000, 0.384930030000000, 0.625005600000000 ] mass: 32.065000 - symbol: S # 5 coordinates: [ 0.499681040000000, 0.841697600000000, 0.104512010000000 ] mass: 32.065000 - symbol: S # 6 coordinates: [ 0.000318960000000, 0.658302400000000, 0.604512010000000 ] mass: 32.065000 - symbol: S # 7 coordinates: [ 0.658302400000000, 0.000318960000000, 0.395487990000000 ] mass: 32.065000 - symbol: S # 8 coordinates: [ 0.841697600000000, 0.499681040000000, 0.895487990000000 ] mass: 32.065000 - symbol: S # 9 coordinates: [ 0.500318960000000, 0.158302400000000, 0.895487990000000 ] mass: 32.065000 - symbol: S # 10 coordinates: [ 0.158302400000000, 0.500318960000000, 0.104512010000000 ] mass: 32.065000 - symbol: S # 11 coordinates: [ 0.341697600000000, 0.999681040000000, 0.604512010000000 ] mass: 32.065000 - symbol: S # 12 coordinates: [ 0.999681040000000, 0.341697600000000, 0.395487990000000 ] mass: 32.065000 - symbol: Ag # 13 coordinates: [ 0.151491810000000, 0.348508190000000, 0.750000000000000 ] mass: 107.868200 - symbol: Ag # 14 coordinates: [ 0.528710900000000, 0.471289100000000, 0.184206080000000 ] mass: 107.868200 - symbol: Ag # 15 coordinates: [ 0.471289100000000, 0.528710900000000, 0.815793920000000 ] mass: 107.868200 - symbol: Ag # 16 coordinates: [ 0.028710900000000, 0.971289100000000, 0.315793920000000 ] mass: 107.868200 - symbol: Ag # 17 coordinates: [ 0.848508190000000, 0.651491810000000, 0.250000000000000 ] mass: 107.868200 - symbol: Ag # 18 coordinates: [ 0.651491810000000, 0.848508190000000, 0.750000000000000 ] mass: 107.868200 - symbol: Ag # 19 coordinates: [ 0.348508190000000, 0.151491810000000, 0.250000000000000 ] mass: 107.868200 - symbol: Ag # 20 coordinates: [ 0.971289100000000, 0.028710900000000, 0.684206080000000 ] mass: 107.868200 - symbol: Hf # 21 coordinates: [ 0.664150270000000, 0.664150270000000, 0.500000000000000 ] mass: 178.490000 - symbol: Hf # 22 coordinates: [ 0.835849730000000, 0.835849730000000, 0.000000000000000 ] mass: 178.490000 - symbol: Hf # 23 coordinates: [ 0.335849730000000, 0.335849730000000, 0.500000000000000 ] mass: 178.490000 - symbol: Hf # 24 coordinates: [ 0.164150270000000, 0.164150270000000, 0.000000000000000 ] mass: 178.490000 reciprocal_lattice: # without 2pi - [ 0.088233608155053, -0.151377989524368, 0.000000000000000 ] # a* - [ 0.088233608155053, 0.151377989524368, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.080727812377727 ] # c*unit_cell: lattice: - [ 11.333549890000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.605980190000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.387304580000000 ] # c points: - symbol: S # 1 coordinates: [ 0.500000000000000, 0.115069970000000, 0.374994400000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 2 coordinates: [ 0.500000000000000, 0.384930030000000, 0.874994400000000 ] mass: 32.065000 reduced_to: 2 - symbol: S # 3 coordinates: [ 0.500000000000000, 0.615069970000000, 0.125005600000000 ] mass: 32.065000 reduced_to: 3 - symbol: S # 4 coordinates: [ 0.500000000000000, 0.884930030000000, 0.625005600000000 ] mass: 32.065000 reduced_to: 4 - symbol: S # 5 coordinates: [ 0.670689320000000, 0.171008280000000, 0.104512010000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 6 coordinates: [ 0.829310680000000, 0.828991720000000, 0.604512010000000 ] mass: 32.065000 reduced_to: 6 - symbol: S # 7 coordinates: [ 0.829310680000000, 0.171008280000000, 0.395487990000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 8 coordinates: [ 0.670689320000000, 0.828991720000000, 0.895487990000000 ] mass: 32.065000 reduced_to: 8 - symbol: S # 9 coordinates: [ 0.329310680000000, 0.828991720000000, 0.895487990000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 10 coordinates: [ 0.329310680000000, 0.171008280000000, 0.104512010000000 ] mass: 32.065000 reduced_to: 10 - symbol: S # 11 coordinates: [ 0.170689320000000, 0.828991720000000, 0.604512010000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 12 coordinates: [ 0.170689320000000, 0.171008280000000, 0.395487990000000 ] mass: 32.065000 reduced_to: 12 - symbol: S # 13 coordinates: [ 0.000000000000000, 0.615069970000000, 0.374994400000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 14 coordinates: [ 0.000000000000000, 0.884930030000000, 0.874994400000000 ] mass: 32.065000 reduced_to: 2 - symbol: S # 15 coordinates: [ 0.000000000000000, 0.115069970000000, 0.125005600000000 ] mass: 32.065000 reduced_to: 3 - symbol: S # 16 coordinates: [ 0.000000000000000, 0.384930030000000, 0.625005600000000 ] mass: 32.065000 reduced_to: 4 - symbol: S # 17 coordinates: [ 0.170689320000000, 0.671008280000000, 0.104512010000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 18 coordinates: [ 0.329310680000000, 0.328991720000000, 0.604512010000000 ] mass: 32.065000 reduced_to: 6 - symbol: S # 19 coordinates: [ 0.329310680000000, 0.671008280000000, 0.395487990000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 20 coordinates: [ 0.170689320000000, 0.328991720000000, 0.895487990000000 ] mass: 32.065000 reduced_to: 8 - symbol: S # 21 coordinates: [ 0.829310680000000, 0.328991720000000, 0.895487990000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 22 coordinates: [ 0.829310680000000, 0.671008280000000, 0.104512010000000 ] mass: 32.065000 reduced_to: 10 - symbol: S # 23 coordinates: [ 0.670689320000000, 0.328991720000000, 0.604512010000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 24 coordinates: [ 0.670689320000000, 0.671008280000000, 0.395487990000000 ] mass: 32.065000 reduced_to: 12 - symbol: Ag # 25 coordinates: [ 0.250000000000000, 0.098508190000000, 0.750000000000000 ] mass: 107.868200 reduced_to: 25 - symbol: Ag # 26 coordinates: [ 0.500000000000000, 0.971289100000000, 0.184206080000000 ] mass: 107.868200 reduced_to: 26 - symbol: Ag # 27 coordinates: [ 0.500000000000000, 0.028710900000000, 0.815793920000000 ] mass: 107.868200 reduced_to: 27 - symbol: Ag # 28 coordinates: [ 0.500000000000000, 0.471289100000000, 0.315793920000000 ] mass: 107.868200 reduced_to: 28 - symbol: Ag # 29 coordinates: [ 0.750000000000000, 0.901491810000000, 0.250000000000000 ] mass: 107.868200 reduced_to: 29 - symbol: Ag # 30 coordinates: [ 0.750000000000000, 0.098508190000000, 0.750000000000000 ] mass: 107.868200 reduced_to: 30 - symbol: Ag # 31 coordinates: [ 0.250000000000000, 0.901491810000000, 0.250000000000000 ] mass: 107.868200 reduced_to: 31 - symbol: Ag # 32 coordinates: [ 0.500000000000000, 0.528710900000000, 0.684206080000000 ] mass: 107.868200 reduced_to: 32 - symbol: Ag # 33 coordinates: [ 0.750000000000000, 0.598508190000000, 0.750000000000000 ] mass: 107.868200 reduced_to: 25 - symbol: Ag # 34 coordinates: [ 0.000000000000000, 0.471289100000000, 0.184206080000000 ] mass: 107.868200 reduced_to: 26 - symbol: Ag # 35 coordinates: [ 0.000000000000000, 0.528710900000000, 0.815793920000000 ] mass: 107.868200 reduced_to: 27 - symbol: Ag # 36 coordinates: [ 0.000000000000000, 0.971289100000000, 0.315793920000000 ] mass: 107.868200 reduced_to: 28 - symbol: Ag # 37 coordinates: [ 0.250000000000000, 0.401491810000000, 0.250000000000000 ] mass: 107.868200 reduced_to: 29 - symbol: Ag # 38 coordinates: [ 0.250000000000000, 0.598508190000000, 0.750000000000000 ] mass: 107.868200 reduced_to: 30 - symbol: Ag # 39 coordinates: [ 0.750000000000000, 0.401491810000000, 0.250000000000000 ] mass: 107.868200 reduced_to: 31 - symbol: Ag # 40 coordinates: [ 0.000000000000000, 0.028710900000000, 0.684206080000000 ] mass: 107.868200 reduced_to: 32 - symbol: Hf # 41 coordinates: [ 0.664150270000000, 0.000000000000000, 0.500000000000000 ] mass: 178.490000 reduced_to: 41 - symbol: Hf # 42 coordinates: [ 0.835849730000000, 0.000000000000000, 0.000000000000000 ] mass: 178.490000 reduced_to: 42 - symbol: Hf # 43 coordinates: [ 0.335849730000000, 0.000000000000000, 0.500000000000000 ] mass: 178.490000 reduced_to: 43 - symbol: Hf # 44 coordinates: [ 0.164150270000000, 0.000000000000000, 0.000000000000000 ] mass: 178.490000 reduced_to: 44 - symbol: Hf # 45 coordinates: [ 0.164150270000000, 0.500000000000000, 0.500000000000000 ] mass: 178.490000 reduced_to: 41 - symbol: Hf # 46 coordinates: [ 0.335849730000000, 0.500000000000000, 0.000000000000000 ] mass: 178.490000 reduced_to: 42 - symbol: Hf # 47 coordinates: [ 0.835849730000000, 0.500000000000000, 0.500000000000000 ] mass: 178.490000 reduced_to: 43 - symbol: Hf # 48 coordinates: [ 0.664150270000000, 0.500000000000000, 0.000000000000000 ] mass: 178.490000 reduced_to: 44supercell: lattice: - [ 11.333549890000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 13.211960380000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.387304580000000 ] # c points: - symbol: S # 1 coordinates: [ 0.500000000000000, 0.057534985000000, 0.374994400000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 2 coordinates: [ 0.500000000000000, 0.557534985000000, 0.374994400000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 3 coordinates: [ 0.500000000000000, 0.192465015000000, 0.874994400000000 ] mass: 32.065000 reduced_to: 3 - symbol: S # 4 coordinates: [ 0.500000000000000, 0.692465015000000, 0.874994400000000 ] mass: 32.065000 reduced_to: 3 - symbol: S # 5 coordinates: [ 0.500000000000000, 0.307534985000000, 0.125005600000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 6 coordinates: [ 0.500000000000000, 0.807534985000000, 0.125005600000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 7 coordinates: [ 0.500000000000000, 0.442465015000000, 0.625005600000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 8 coordinates: [ 0.500000000000000, 0.942465015000000, 0.625005600000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 9 coordinates: [ 0.670689320000000, 0.085504140000000, 0.104512010000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 10 coordinates: [ 0.670689320000000, 0.585504140000000, 0.104512010000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 11 coordinates: [ 0.829310680000000, 0.414495860000000, 0.604512010000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 12 coordinates: [ 0.829310680000000, 0.914495860000000, 0.604512010000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 13 coordinates: [ 0.829310680000000, 0.085504140000000, 0.395487990000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 14 coordinates: [ 0.829310680000000, 0.585504140000000, 0.395487990000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 15 coordinates: [ 0.670689320000000, 0.414495860000000, 0.895487990000000 ] mass: 32.065000 reduced_to: 15 - symbol: S # 16 coordinates: [ 0.670689320000000, 0.914495860000000, 0.895487990000000 ] mass: 32.065000 reduced_to: 15 - symbol: S # 17 coordinates: [ 0.329310680000000, 0.414495860000000, 0.895487990000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 18 coordinates: [ 0.329310680000000, 0.914495860000000, 0.895487990000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 19 coordinates: [ 0.329310680000000, 0.085504140000000, 0.104512010000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 20 coordinates: [ 0.329310680000000, 0.585504140000000, 0.104512010000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 21 coordinates: [ 0.170689320000000, 0.414495860000000, 0.604512010000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 22 coordinates: [ 0.170689320000000, 0.914495860000000, 0.604512010000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 23 coordinates: [ 0.170689320000000, 0.085504140000000, 0.395487990000000 ] mass: 32.065000 reduced_to: 23 - symbol: S # 24 coordinates: [ 0.170689320000000, 0.585504140000000, 0.395487990000000 ] mass: 32.065000 reduced_to: 23 - symbol: S # 25 coordinates: [ 0.000000000000000, 0.307534985000000, 0.374994400000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 26 coordinates: [ 0.000000000000000, 0.807534985000000, 0.374994400000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 27 coordinates: [ 0.000000000000000, 0.442465015000000, 0.874994400000000 ] mass: 32.065000 reduced_to: 3 - symbol: S # 28 coordinates: [ 0.000000000000000, 0.942465015000000, 0.874994400000000 ] mass: 32.065000 reduced_to: 3 - symbol: S # 29 coordinates: [ 0.000000000000000, 0.057534985000000, 0.125005600000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 30 coordinates: [ 0.000000000000000, 0.557534985000000, 0.125005600000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 31 coordinates: [ 0.000000000000000, 0.192465015000000, 0.625005600000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 32 coordinates: [ 0.000000000000000, 0.692465015000000, 0.625005600000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 33 coordinates: [ 0.170689320000000, 0.335504140000000, 0.104512010000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 34 coordinates: [ 0.170689320000000, 0.835504140000000, 0.104512010000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 35 coordinates: [ 0.329310680000000, 0.164495860000000, 0.604512010000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 36 coordinates: [ 0.329310680000000, 0.664495860000000, 0.604512010000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 37 coordinates: [ 0.329310680000000, 0.335504140000000, 0.395487990000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 38 coordinates: [ 0.329310680000000, 0.835504140000000, 0.395487990000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 39 coordinates: [ 0.170689320000000, 0.164495860000000, 0.895487990000000 ] mass: 32.065000 reduced_to: 15 - symbol: S # 40 coordinates: [ 0.170689320000000, 0.664495860000000, 0.895487990000000 ] mass: 32.065000 reduced_to: 15 - symbol: S # 41 coordinates: [ 0.829310680000000, 0.164495860000000, 0.895487990000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 42 coordinates: [ 0.829310680000000, 0.664495860000000, 0.895487990000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 43 coordinates: [ 0.829310680000000, 0.335504140000000, 0.104512010000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 44 coordinates: [ 0.829310680000000, 0.835504140000000, 0.104512010000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 45 coordinates: [ 0.670689320000000, 0.164495860000000, 0.604512010000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 46 coordinates: [ 0.670689320000000, 0.664495860000000, 0.604512010000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 47 coordinates: [ 0.670689320000000, 0.335504140000000, 0.395487990000000 ] mass: 32.065000 reduced_to: 23 - symbol: S # 48 coordinates: [ 0.670689320000000, 0.835504140000000, 0.395487990000000 ] mass: 32.065000 reduced_to: 23 - symbol: Ag # 49 coordinates: [ 0.250000000000000, 0.049254095000000, 0.750000000000000 ] mass: 107.868200 reduced_to: 49 - symbol: Ag # 50 coordinates: [ 0.250000000000000, 0.549254095000000, 0.750000000000000 ] mass: 107.868200 reduced_to: 49 - symbol: Ag # 51 coordinates: [ 0.500000000000000, 0.485644550000000, 0.184206080000000 ] mass: 107.868200 reduced_to: 51 - symbol: Ag # 52 coordinates: [ 0.500000000000000, 0.985644550000000, 0.184206080000000 ] mass: 107.868200 reduced_to: 51 - symbol: Ag # 53 coordinates: [ 0.500000000000000, 0.014355450000000, 0.815793920000000 ] mass: 107.868200 reduced_to: 53 - symbol: Ag # 54 coordinates: [ 0.500000000000000, 0.514355450000000, 0.815793920000000 ] mass: 107.868200 reduced_to: 53 - symbol: Ag # 55 coordinates: [ 0.500000000000000, 0.235644550000000, 0.315793920000000 ] mass: 107.868200 reduced_to: 55 - symbol: Ag # 56 coordinates: [ 0.500000000000000, 0.735644550000000, 0.315793920000000 ] mass: 107.868200 reduced_to: 55 - symbol: Ag # 57 coordinates: [ 0.750000000000000, 0.450745905000000, 0.250000000000000 ] mass: 107.868200 reduced_to: 57 - symbol: Ag # 58 coordinates: [ 0.750000000000000, 0.950745905000000, 0.250000000000000 ] mass: 107.868200 reduced_to: 57 - symbol: Ag # 59 coordinates: [ 0.750000000000000, 0.049254095000000, 0.750000000000000 ] mass: 107.868200 reduced_to: 59 - symbol: Ag # 60 coordinates: [ 0.750000000000000, 0.549254095000000, 0.750000000000000 ] mass: 107.868200 reduced_to: 59 - symbol: Ag # 61 coordinates: [ 0.250000000000000, 0.450745905000000, 0.250000000000000 ] mass: 107.868200 reduced_to: 61 - symbol: Ag # 62 coordinates: [ 0.250000000000000, 0.950745905000000, 0.250000000000000 ] mass: 107.868200 reduced_to: 61 - symbol: Ag # 63 coordinates: [ 0.500000000000000, 0.264355450000000, 0.684206080000000 ] mass: 107.868200 reduced_to: 63 - symbol: Ag # 64 coordinates: [ 0.500000000000000, 0.764355450000000, 0.684206080000000 ] mass: 107.868200 reduced_to: 63 - symbol: Ag # 65 coordinates: [ 0.750000000000000, 0.299254095000000, 0.750000000000000 ] mass: 107.868200 reduced_to: 49 - symbol: Ag # 66 coordinates: [ 0.750000000000000, 0.799254095000000, 0.750000000000000 ] mass: 107.868200 reduced_to: 49 - symbol: Ag # 67 coordinates: [ 0.000000000000000, 0.235644550000000, 0.184206080000000 ] mass: 107.868200 reduced_to: 51 - symbol: Ag # 68 coordinates: [ 0.000000000000000, 0.735644550000000, 0.184206080000000 ] mass: 107.868200 reduced_to: 51 - symbol: Ag # 69 coordinates: [ 0.000000000000000, 0.264355450000000, 0.815793920000000 ] mass: 107.868200 reduced_to: 53 - symbol: Ag # 70 coordinates: [ 0.000000000000000, 0.764355450000000, 0.815793920000000 ] mass: 107.868200 reduced_to: 53 - symbol: Ag # 71 coordinates: [ 0.000000000000000, 0.485644550000000, 0.315793920000000 ] mass: 107.868200 reduced_to: 55 - symbol: Ag # 72 coordinates: [ 0.000000000000000, 0.985644550000000, 0.315793920000000 ] mass: 107.868200 reduced_to: 55 - symbol: Ag # 73 coordinates: [ 0.250000000000000, 0.200745905000000, 0.250000000000000 ] mass: 107.868200 reduced_to: 57 - symbol: Ag # 74 coordinates: [ 0.250000000000000, 0.700745905000000, 0.250000000000000 ] mass: 107.868200 reduced_to: 57 - symbol: Ag # 75 coordinates: [ 0.250000000000000, 0.299254095000000, 0.750000000000000 ] mass: 107.868200 reduced_to: 59 - symbol: Ag # 76 coordinates: [ 0.250000000000000, 0.799254095000000, 0.750000000000000 ] mass: 107.868200 reduced_to: 59 - symbol: Ag # 77 coordinates: [ 0.750000000000000, 0.200745905000000, 0.250000000000000 ] mass: 107.868200 reduced_to: 61 - symbol: Ag # 78 coordinates: [ 0.750000000000000, 0.700745905000000, 0.250000000000000 ] mass: 107.868200 reduced_to: 61 - symbol: Ag # 79 coordinates: [ 0.000000000000000, 0.014355450000000, 0.684206080000000 ] mass: 107.868200 reduced_to: 63 - symbol: Ag # 80 coordinates: [ 0.000000000000000, 0.514355450000000, 0.684206080000000 ] mass: 107.868200 reduced_to: 63 - symbol: Hf # 81 coordinates: [ 0.664150270000000, 0.000000000000000, 0.500000000000000 ] mass: 178.490000 reduced_to: 81 - symbol: Hf # 82 coordinates: [ 0.664150270000000, 0.500000000000000, 0.500000000000000 ] mass: 178.490000 reduced_to: 81 - symbol: Hf # 83 coordinates: [ 0.835849730000000, 0.000000000000000, 0.000000000000000 ] mass: 178.490000 reduced_to: 83 - symbol: Hf # 84 coordinates: [ 0.835849730000000, 0.500000000000000, 0.000000000000000 ] mass: 178.490000 reduced_to: 83 - symbol: Hf # 85 coordinates: [ 0.335849730000000, 0.000000000000000, 0.500000000000000 ] mass: 178.490000 reduced_to: 85 - symbol: Hf # 86 coordinates: [ 0.335849730000000, 0.500000000000000, 0.500000000000000 ] mass: 178.490000 reduced_to: 85 - symbol: Hf # 87 coordinates: [ 0.164150270000000, 0.000000000000000, 0.000000000000000 ] mass: 178.490000 reduced_to: 87 - symbol: Hf # 88 coordinates: [ 0.164150270000000, 0.500000000000000, 0.000000000000000 ] mass: 178.490000 reduced_to: 87 - symbol: Hf # 89 coordinates: [ 0.164150270000000, 0.250000000000000, 0.500000000000000 ] mass: 178.490000 reduced_to: 81 - symbol: Hf # 90 coordinates: [ 0.164150270000000, 0.750000000000000, 0.500000000000000 ] mass: 178.490000 reduced_to: 81 - symbol: Hf # 91 coordinates: [ 0.335849730000000, 0.250000000000000, 0.000000000000000 ] mass: 178.490000 reduced_to: 83 - symbol: Hf # 92 coordinates: [ 0.335849730000000, 0.750000000000000, 0.000000000000000 ] mass: 178.490000 reduced_to: 83 - symbol: Hf # 93 coordinates: [ 0.835849730000000, 0.250000000000000, 0.500000000000000 ] mass: 178.490000 reduced_to: 85 - symbol: Hf # 94 coordinates: [ 0.835849730000000, 0.750000000000000, 0.500000000000000 ] mass: 178.490000 reduced_to: 85 - symbol: Hf # 95 coordinates: [ 0.664150270000000, 0.250000000000000, 0.000000000000000 ] mass: 178.490000 reduced_to: 87 - symbol: Hf # 96 coordinates: [ 0.664150270000000, 0.750000000000000, 0.000000000000000 ] mass: 178.490000 reduced_to: 87displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0728460800000000, 0.0036951900000000, -0.0043439100000000 ] - [ -0.0007140900000000, 0.0031677400000000, -0.0033647800000000 ] - [ -0.0005761700000000, -0.0031670000000000, -0.0033611200000000 ] - [ -0.0003026400000000, -0.0031678500000000, -0.0033613900000000 ] - [ -0.0008963700000000, 0.0031642300000000, 0.0033642600000000 ] - [ -0.0008963900000000, 0.0031667000000000, 0.0033708400000000 ] - [ -0.0006566300000000, -0.0031675600000000, 0.0033625100000000 ] - [ -0.0047284600000000, -0.0031714200000000, 0.0033754100000000 ] - [ -0.0071882700000000, -0.0012137300000000, -0.0030810500000000 ] - [ -0.0084672600000000, -0.0026508900000000, -0.0008401700000000 ] - [ 0.0087314200000000, 0.0030458100000000, -0.0005542500000000 ] - [ 0.0159817000000000, -0.0022984300000000, 0.0023136000000000 ] - [ 0.0147881300000000, -0.0002407000000000, 0.0012042000000000 ] - [ 0.0086435800000000, -0.0031587800000000, 0.0008213500000000 ] - [ -0.0083856100000000, 0.0028603700000000, 0.0007299400000000 ] - [ -0.0085549500000000, 0.0025375100000000, 0.0011082900000000 ] - [ 0.0084944500000000, 0.0024897400000000, 0.0010865700000000 ] - [ 0.0083215600000000, 0.0028144100000000, 0.0007151100000000 ] - [ 0.0096972800000000, -0.0041375800000000, 0.0012665100000000 ] - [ 0.0084121600000000, -0.0027012300000000, -0.0009737300000000 ] - [ -0.0081445600000000, 0.0023099800000000, -0.0012643300000000 ] - [ -0.0009353900000000, 0.0076520500000000, -0.0041319300000000 ] - [ -0.0022099200000000, -0.0050683200000000, 0.0006211900000000 ] - [ -0.0082329400000000, -0.0021983000000000, 0.0009924600000000 ] - [ 0.0012961600000000, 0.0031703900000000, -0.0033647900000000 ] - [ 0.0012962800000000, 0.0031651700000000, -0.0033648100000000 ] - [ 0.0003301200000000, -0.0031679400000000, -0.0033633900000000 ] - [ 0.0006585300000000, -0.0031680600000000, -0.0033623600000000 ] - [ 0.0007031100000000, 0.0031673100000000, 0.0033628600000000 ] - [ 0.0003022000000000, 0.0031679200000000, 0.0033633100000000 ] - [ 0.0024487700000000, -0.0031649400000000, 0.0033683000000000 ] - [ 0.0023138900000000, -0.0031666600000000, 0.0033641300000000 ] - [ -0.0084686700000000, -0.0028592300000000, -0.0008460600000000 ] - [ -0.0085506900000000, -0.0025973700000000, -0.0008031800000000 ] - [ 0.0105326200000000, -0.0004107000000000, -0.0039300200000000 ] - [ 0.0082027800000000, 0.0032006800000000, -0.0011532200000000 ] - [ 0.0095709000000000, -0.0043496500000000, -0.0000511600000000 ] - [ 0.0114359200000000, 0.0039220900000000, -0.0000741700000000 ] - [ -0.0081510600000000, 0.0025986500000000, 0.0007787400000000 ] - [ -0.0083845300000000, 0.0026994700000000, 0.0008466000000000 ] - [ 0.0087238100000000, 0.0027533300000000, 0.0010456300000000 ] - [ 0.0084928900000000, 0.0026531300000000, 0.0009688200000000 ] - [ 0.0084070700000000, -0.0024940400000000, -0.0009693400000000 ] - [ 0.0083269600000000, -0.0027542800000000, -0.0010101700000000 ] - [ -0.0063429200000000, 0.0057833700000000, 0.0021350600000000 ] - [ -0.0086773600000000, 0.0021462600000000, -0.0006626800000000 ] - [ -0.0073276600000000, -0.0010158300000000, 0.0018618300000000 ] - [ -0.0054405700000000, -0.0093139900000000, 0.0018978500000000 ] - [ 0.0001709000000000, -0.0017608300000000, 0.0000848900000000 ] - [ -0.0000421000000000, -0.0018538400000000, 0.0000728000000000 ] - [ 0.0000611500000000, 0.0014944800000000, -0.0012009600000000 ] - [ -0.0004611900000000, 0.0015132500000000, -0.0011931500000000 ] - [ 0.0001412100000000, -0.0014935200000000, 0.0011994200000000 ] - [ 0.0000946300000000, -0.0014937700000000, 0.0012014500000000 ] - [ -0.0000855200000000, 0.0014476100000000, 0.0012206000000000 ] - [ 0.0008606300000000, 0.0014949400000000, 0.0012033800000000 ] - [ -0.0000169300000000, 0.0016970100000000, 0.0000992300000000 ] - [ 0.0015687300000000, 0.0015805400000000, -0.0006043400000000 ] - [ 0.0001723800000000, -0.0018835600000000, -0.0000818300000000 ] - [ -0.0000424300000000, -0.0017901200000000, -0.0000737000000000 ] - [ -0.0000173200000000, 0.0019490200000000, -0.0001000400000000 ] - [ 0.0015517400000000, 0.0020540000000000, 0.0005925700000000 ] - [ 0.0004728100000000, -0.0014946100000000, -0.0012019300000000 ] - [ 0.0001350500000000, -0.0014923800000000, -0.0012019000000000 ] - [ -0.0001754900000000, -0.0021322900000000, -0.0002320900000000 ] - [ 0.0002062400000000, -0.0014720200000000, -0.0003963000000000 ] - [ -0.0000720400000000, 0.0014934100000000, -0.0012009700000000 ] - [ -0.0001779700000000, 0.0014936200000000, -0.0012006600000000 ] - [ -0.0002131400000000, -0.0014938600000000, 0.0011996000000000 ] - [ -0.0000888600000000, -0.0014930100000000, 0.0012011600000000 ] - [ -0.0001571300000000, 0.0014937400000000, 0.0012018900000000 ] - [ -0.0009345000000000, 0.0015002900000000, 0.0012078400000000 ] - [ 0.0007076500000000, 0.0019253700000000, 0.0001948000000000 ] - [ -0.0001447800000000, 0.0015213000000000, -0.0001658000000000 ] - [ -0.0001739000000000, -0.0015134700000000, 0.0002305900000000 ] - [ 0.0002074200000000, -0.0021700500000000, 0.0003932000000000 ] - [ 0.0007239200000000, 0.0017276800000000, -0.0001999100000000 ] - [ -0.0001447900000000, 0.0021222500000000, 0.0001675200000000 ] - [ -0.0009344300000000, -0.0014957900000000, -0.0012037100000000 ] - [ -0.0001594300000000, -0.0014945800000000, -0.0012016600000000 ] - [ 0.0259127900000000, -0.0044783800000000, 0.0150151400000000 ] - [ 0.0092032900000000, -0.0004412700000000, -0.0001964600000000 ] - [ -0.0094087700000000, 0.0004423300000000, 0.0003480000000000 ] - [ -0.0086757600000000, -0.0001457600000000, -0.0000261100000000 ] - [ 0.0086753700000000, 0.0039898500000000, -0.0140936200000000 ] - [ -0.0073161900000000, 0.0004530500000000, 0.0002050100000000 ] - [ 0.0071019900000000, -0.0004478100000000, -0.0003552000000000 ] - [ 0.0078422500000000, 0.0001456500000000, 0.0000261600000000 ] - [ 0.0056594800000000, 0.0024870100000000, 0.0013143800000000 ] - [ 0.0057647600000000, -0.0028819800000000, -0.0000497600000000 ] - [ -0.0074913900000000, 0.0010141500000000, -0.0005694100000000 ] - [ -0.0076498800000000, -0.0002601500000000, 0.0001432100000000 ] - [ -0.0108413600000000, -0.0025259200000000, -0.0013176000000000 ] - [ -0.0107535100000000, 0.0028861800000000, 0.0000493800000000 ] - [ 0.0090359600000000, -0.0010074900000000, 0.0005524800000000 ] - [ 0.0088753400000000, 0.0002627100000000, -0.0001509500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0667758500000000, 0.0211580700000000 ] - [ 0.0000000000000000, 0.0033433100000000, -0.0034938100000000 ] - [ 0.0000000000000000, -0.0031150800000000, -0.0035453000000000 ] - [ 0.0000000000000000, -0.0030547300000000, -0.0033816600000000 ] - [ 0.0000000000000000, 0.0047231000000000, 0.0030683300000000 ] - [ 0.0000000000000000, 0.0046972400000000, 0.0047030500000000 ] - [ 0.0000000000000000, -0.0030056100000000, 0.0034797600000000 ] - [ 0.0000000000000000, -0.0023357500000000, -0.0025951800000000 ] - [ -0.0077883600000000, -0.0031480900000000, -0.0013552900000000 ] - [ -0.0085445800000000, -0.0024468800000000, -0.0009415200000000 ] - [ 0.0084457700000000, 0.0029805300000000, -0.0007522200000000 ] - [ 0.0077360500000000, 0.0044980800000000, -0.0017055300000000 ] - [ 0.0084345800000000, -0.0032360700000000, 0.0014394200000000 ] - [ 0.0085486700000000, -0.0017183200000000, 0.0009388000000000 ] - [ -0.0083034400000000, 0.0029019900000000, 0.0007439700000000 ] - [ -0.0087273000000000, 0.0024923100000000, 0.0004780800000000 ] - [ 0.0083034400000000, 0.0029019900000000, 0.0007439700000000 ] - [ 0.0087273000000000, 0.0024923100000000, 0.0004780800000000 ] - [ 0.0077883600000000, -0.0031480900000000, -0.0013552900000000 ] - [ 0.0085445800000000, -0.0024468800000000, -0.0009415200000000 ] - [ -0.0084457700000000, 0.0029805300000000, -0.0007522200000000 ] - [ -0.0077360500000000, 0.0044980800000000, -0.0017055300000000 ] - [ -0.0084345800000000, -0.0032360700000000, 0.0014394200000000 ] - [ -0.0085486700000000, -0.0017183200000000, 0.0009388000000000 ] - [ 0.0000000000000000, 0.0031180900000000, -0.0034057100000000 ] - [ 0.0000000000000000, 0.0031190200000000, -0.0031816500000000 ] - [ 0.0000000000000000, -0.0029959700000000, -0.0032649300000000 ] - [ 0.0000000000000000, -0.0033011900000000, -0.0035762700000000 ] - [ 0.0000000000000000, 0.0029550800000000, 0.0033448300000000 ] - [ 0.0000000000000000, 0.0032840900000000, 0.0034499800000000 ] - [ 0.0000000000000000, -0.0031862300000000, 0.0035942300000000 ] - [ 0.0000000000000000, -0.0024414300000000, 0.0027637500000000 ] - [ -0.0084413900000000, -0.0024095200000000, -0.0010734000000000 ] - [ -0.0083812000000000, -0.0029013000000000, -0.0008049500000000 ] - [ 0.0073210000000000, 0.0024468200000000, -0.0000619700000000 ] - [ 0.0081304600000000, 0.0033559000000000, -0.0007908400000000 ] - [ 0.0062106800000000, 0.0011757700000000, 0.0017273100000000 ] - [ 0.0126508400000000, 0.0025996300000000, 0.0001598400000000 ] - [ -0.0087055100000000, 0.0026159300000000, 0.0008187600000000 ] - [ -0.0083898500000000, 0.0028767200000000, 0.0008336700000000 ] - [ 0.0087055100000000, 0.0026159300000000, 0.0008187600000000 ] - [ 0.0083898500000000, 0.0028767200000000, 0.0008336700000000 ] - [ 0.0084413900000000, -0.0024095200000000, -0.0010734000000000 ] - [ 0.0083812000000000, -0.0029013000000000, -0.0008049500000000 ] - [ -0.0073210000000000, 0.0024468200000000, -0.0000619700000000 ] - [ -0.0081304600000000, 0.0033559000000000, -0.0007908400000000 ] - [ -0.0062106800000000, 0.0011757700000000, 0.0017273100000000 ] - [ -0.0126508400000000, 0.0025996300000000, 0.0001598400000000 ] - [ 0.0001456300000000, -0.0014474600000000, 0.0001330200000000 ] - [ -0.0000297300000000, -0.0019857600000000, 0.0000380900000000 ] - [ 0.0000000000000000, 0.0014768000000000, -0.0012761100000000 ] - [ 0.0000000000000000, 0.0046593500000000, 0.0072823000000000 ] - [ 0.0000000000000000, -0.0013946600000000, 0.0018169700000000 ] - [ 0.0000000000000000, -0.0016015100000000, 0.0012175700000000 ] - [ 0.0000000000000000, 0.0319202900000000, -0.0093904900000000 ] - [ 0.0000000000000000, 0.0008953000000000, 0.0008947000000000 ] - [ 0.0000030600000000, 0.0015866200000000, 0.0000604900000000 ] - [ -0.0013621600000000, 0.0025502900000000, 0.0003267500000000 ] - [ -0.0001456300000000, -0.0014474600000000, 0.0001330200000000 ] - [ 0.0000297300000000, -0.0019857600000000, 0.0000380900000000 ] - [ -0.0000030600000000, 0.0015866200000000, 0.0000604900000000 ] - [ 0.0013621600000000, 0.0025502900000000, 0.0003267500000000 ] - [ 0.0000000000000000, -0.0015620100000000, -0.0013758700000000 ] - [ 0.0000000000000000, -0.0017317600000000, -0.0012502500000000 ] - [ 0.0000031300000000, -0.0019777300000000, -0.0000651100000000 ] - [ -0.0000309500000000, -0.0019067100000000, 0.0001422600000000 ] - [ 0.0000000000000000, 0.0014883700000000, -0.0011336100000000 ] - [ 0.0000000000000000, 0.0014401500000000, -0.0012549100000000 ] - [ 0.0000000000000000, -0.0015806400000000, 0.0011571700000000 ] - [ 0.0000000000000000, -0.0014581400000000, 0.0013169700000000 ] - [ 0.0000000000000000, 0.0013787100000000, 0.0011419500000000 ] - [ 0.0000000000000000, 0.0017288700000000, 0.0012858100000000 ] - [ -0.0007784800000000, 0.0020462000000000, -0.0002686400000000 ] - [ -0.0001888600000000, 0.0016276200000000, -0.0000944600000000 ] - [ -0.0000031300000000, -0.0019777300000000, -0.0000651100000000 ] - [ 0.0000309500000000, -0.0019067100000000, 0.0001422600000000 ] - [ 0.0007784800000000, 0.0020462000000000, -0.0002686400000000 ] - [ 0.0001888600000000, 0.0016276200000000, -0.0000944600000000 ] - [ 0.0000000000000000, -0.0012645400000000, -0.0012284100000000 ] - [ 0.0000000000000000, -0.0017354900000000, -0.0011787400000000 ] - [ -0.0000912400000000, 0.0062683700000000, -0.0096557600000000 ] - [ 0.0083743100000000, -0.0015769800000000, -0.0004458600000000 ] - [ -0.0086684100000000, 0.0010713300000000, 0.0003047300000000 ] - [ -0.0082218800000000, -0.0005519000000000, 0.0000659200000000 ] - [ 0.0000912400000000, 0.0062683700000000, -0.0096557600000000 ] - [ -0.0083743100000000, -0.0015769800000000, -0.0004458600000000 ] - [ 0.0086684100000000, 0.0010713300000000, 0.0003047300000000 ] - [ 0.0082218800000000, -0.0005519000000000, 0.0000659200000000 ] - [ 0.0090392400000000, 0.0002723400000000, -0.0003169700000000 ] - [ 0.0072150800000000, -0.0009500200000000, 0.0005126300000000 ] - [ -0.0082031500000000, -0.0006777900000000, 0.0010024200000000 ] - [ -0.0086603300000000, -0.0002755100000000, 0.0000351200000000 ] - [ -0.0090392400000000, 0.0002723400000000, -0.0003169700000000 ] - [ -0.0072150800000000, -0.0009500200000000, 0.0005126300000000 ] - [ 0.0082031500000000, -0.0006777900000000, 0.0010024200000000 ] - [ 0.0086603300000000, -0.0002755100000000, 0.0000351200000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0710649800000000, -0.0271307600000000 ] - [ 0.0000000000000000, 0.0029916300000000, -0.0032365900000000 ] - [ 0.0000000000000000, -0.0032172500000000, -0.0031747200000000 ] - [ 0.0000000000000000, -0.0032811200000000, -0.0033481700000000 ] - [ 0.0000000000000000, 0.0016435900000000, 0.0036533000000000 ] - [ 0.0000000000000000, 0.0016179300000000, 0.0020117700000000 ] - [ 0.0000000000000000, -0.0033310300000000, 0.0032489700000000 ] - [ 0.0000000000000000, -0.0039705200000000, 0.0093392700000000 ] - [ -0.0090991900000000, -0.0022079500000000, -0.0004604800000000 ] - [ -0.0083331600000000, -0.0029061700000000, -0.0008737100000000 ] - [ 0.0084312700000000, 0.0023719000000000, -0.0010646600000000 ] - [ 0.0091089700000000, 0.0008787700000000, -0.0001328600000000 ] - [ 0.0084460300000000, -0.0021129400000000, 0.0003767400000000 ] - [ 0.0083317800000000, -0.0036348700000000, 0.0008769000000000 ] - [ -0.0085753400000000, 0.0024481300000000, 0.0010720800000000 ] - [ -0.0081516100000000, 0.0028586700000000, 0.0013371600000000 ] - [ 0.0085753400000000, 0.0024481300000000, 0.0010720800000000 ] - [ 0.0081516100000000, 0.0028586700000000, 0.0013371600000000 ] - [ 0.0090991900000000, -0.0022079500000000, -0.0004604800000000 ] - [ 0.0083331600000000, -0.0029061700000000, -0.0008737100000000 ] - [ -0.0084312700000000, 0.0023719000000000, -0.0010646600000000 ] - [ -0.0091089700000000, 0.0008787700000000, -0.0001328600000000 ] - [ -0.0084460300000000, -0.0021129400000000, 0.0003767400000000 ] - [ -0.0083317800000000, -0.0036348700000000, 0.0008769000000000 ] - [ 0.0000000000000000, 0.0032173800000000, -0.0033247500000000 ] - [ 0.0000000000000000, 0.0032183300000000, -0.0035464200000000 ] - [ 0.0000000000000000, -0.0033397700000000, -0.0034619600000000 ] - [ 0.0000000000000000, -0.0030352900000000, -0.0031508300000000 ] - [ 0.0000000000000000, 0.0033799500000000, 0.0033820000000000 ] - [ 0.0000000000000000, 0.0030512300000000, 0.0032773500000000 ] - [ 0.0000000000000000, -0.0031465100000000, 0.0031329000000000 ] - [ 0.0000000000000000, -0.0038927700000000, 0.0039691400000000 ] - [ -0.0084344000000000, -0.0029434600000000, -0.0007420700000000 ] - [ -0.0084967800000000, -0.0024503200000000, -0.0010103200000000 ] - [ 0.0095434800000000, 0.0029208900000000, -0.0017389400000000 ] - [ 0.0087469700000000, 0.0019991600000000, -0.0010244200000000 ] - [ 0.0106173600000000, -0.0064669600000000, 0.0000998000000000 ] - [ 0.0041572200000000, -0.0080246500000000, 0.0016682000000000 ] - [ -0.0081724200000000, 0.0027359400000000, 0.0010025400000000 ] - [ -0.0084881600000000, 0.0024745400000000, 0.0009812500000000 ] - [ 0.0081724200000000, 0.0027359400000000, 0.0010025400000000 ] - [ 0.0084881600000000, 0.0024745400000000, 0.0009812500000000 ] - [ 0.0084344000000000, -0.0029434600000000, -0.0007420700000000 ] - [ 0.0084967800000000, -0.0024503200000000, -0.0010103200000000 ] - [ -0.0095434800000000, 0.0029208900000000, -0.0017389400000000 ] - [ -0.0087469700000000, 0.0019991600000000, -0.0010244200000000 ] - [ -0.0106173600000000, -0.0064669600000000, 0.0000998000000000 ] - [ -0.0041572200000000, -0.0080246500000000, 0.0016682000000000 ] - [ -0.0001456900000000, -0.0021964100000000, -0.0001331900000000 ] - [ 0.0000297100000000, -0.0016594800000000, -0.0000386800000000 ] - [ 0.0000000000000000, 0.0015151000000000, -0.0011278200000000 ] - [ 0.0000000000000000, -0.0015960300000000, -0.0097735800000000 ] - [ 0.0000000000000000, -0.0015932700000000, 0.0005825300000000 ] - [ 0.0000000000000000, -0.0013857500000000, 0.0011859700000000 ] - [ 0.0000000000000000, -0.0272427900000000, 0.0111473400000000 ] - [ 0.0000000000000000, 0.0020886200000000, 0.0015107200000000 ] - [ -0.0000016600000000, 0.0020596100000000, -0.0000599500000000 ] - [ 0.0013668900000000, 0.0010972400000000, -0.0003271900000000 ] - [ 0.0001456900000000, -0.0021964100000000, -0.0001331900000000 ] - [ -0.0000297100000000, -0.0016594800000000, -0.0000386800000000 ] - [ 0.0000016600000000, 0.0020596100000000, -0.0000599500000000 ] - [ -0.0013668900000000, 0.0010972400000000, -0.0003271900000000 ] - [ 0.0000000000000000, -0.0014283000000000, -0.0010294500000000 ] - [ 0.0000000000000000, -0.0012613800000000, -0.0011538700000000 ] - [ -0.0000043100000000, -0.0016682500000000, 0.0000640100000000 ] - [ 0.0000290500000000, -0.0017384500000000, -0.0001419700000000 ] - [ 0.0000000000000000, 0.0014983200000000, -0.0012691600000000 ] - [ 0.0000000000000000, 0.0015466600000000, -0.0011488800000000 ] - [ 0.0000000000000000, -0.0014072200000000, 0.0012451900000000 ] - [ 0.0000000000000000, -0.0015293100000000, 0.0010868000000000 ] - [ 0.0000000000000000, 0.0016098200000000, 0.0012624700000000 ] - [ 0.0000000000000000, 0.0012598200000000, 0.0011186200000000 ] - [ 0.0007708700000000, 0.0015914000000000, 0.0002691200000000 ] - [ 0.0001885000000000, 0.0020158900000000, 0.0000954000000000 ] - [ 0.0000043100000000, -0.0016682500000000, 0.0000640100000000 ] - [ -0.0000290500000000, -0.0017384500000000, -0.0001419700000000 ] - [ -0.0007708700000000, 0.0015914000000000, 0.0002691200000000 ] - [ -0.0001885000000000, 0.0020158900000000, 0.0000954000000000 ] - [ 0.0000000000000000, -0.0017202200000000, -0.0011754000000000 ] - [ 0.0000000000000000, -0.0012541200000000, -0.0012252400000000 ] - [ 0.0166211500000000, -0.0061458100000000, 0.0096266200000000 ] - [ 0.0081453900000000, 0.0015781500000000, 0.0004491600000000 ] - [ -0.0078486400000000, -0.0010691800000000, -0.0003067000000000 ] - [ -0.0082964800000000, 0.0005524500000000, -0.0000660600000000 ] - [ -0.0166211500000000, -0.0061458100000000, 0.0096266200000000 ] - [ -0.0081453900000000, 0.0015781500000000, 0.0004491600000000 ] - [ 0.0078486400000000, -0.0010691800000000, -0.0003067000000000 ] - [ 0.0082964800000000, 0.0005524500000000, -0.0000660600000000 ] - [ 0.0074812900000000, -0.0002763900000000, 0.0003303000000000 ] - [ 0.0093061500000000, 0.0009375800000000, -0.0005227200000000 ] - [ -0.0083279700000000, 0.0006695000000000, -0.0010110700000000 ] - [ -0.0078546900000000, 0.0002761300000000, -0.0000326500000000 ] - [ -0.0074812900000000, -0.0002763900000000, 0.0003303000000000 ] - [ -0.0093061500000000, 0.0009375800000000, -0.0005227200000000 ] - [ 0.0083279700000000, 0.0006695000000000, -0.0010110700000000 ] - [ 0.0078546900000000, 0.0002761300000000, -0.0000326500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0278922500000000, -0.0896768500000000 ] - [ 0.0000000000000000, 0.0030395700000000, -0.0034734300000000 ] - [ 0.0000000000000000, -0.0029850400000000, -0.0025452400000000 ] - [ 0.0000000000000000, -0.0031523100000000, -0.0028097600000000 ] - [ 0.0000000000000000, 0.0018280200000000, 0.0054956800000000 ] - [ 0.0000000000000000, 0.0034522200000000, 0.0055055000000000 ] - [ 0.0000000000000000, -0.0030526600000000, 0.0034311500000000 ] - [ 0.0000000000000000, -0.0091917900000000, 0.0130382300000000 ] - [ -0.0122809600000000, -0.0048088100000000, 0.0046116900000000 ] - [ -0.0084089000000000, -0.0028441000000000, -0.0008479300000000 ] - [ 0.0083123000000000, 0.0028667800000000, -0.0011076500000000 ] - [ 0.0125238900000000, -0.0012757500000000, 0.0026414500000000 ] - [ 0.0091063800000000, -0.0022544700000000, -0.0003008100000000 ] - [ 0.0083259200000000, -0.0031149400000000, 0.0007654400000000 ] - [ -0.0087051300000000, 0.0020428600000000, 0.0013306000000000 ] - [ -0.0079601400000000, 0.0027257600000000, 0.0018556100000000 ] - [ 0.0087051300000000, 0.0020428600000000, 0.0013306000000000 ] - [ 0.0079601400000000, 0.0027257600000000, 0.0018556100000000 ] - [ 0.0122809600000000, -0.0048088100000000, 0.0046116900000000 ] - [ 0.0084089000000000, -0.0028441000000000, -0.0008479300000000 ] - [ -0.0083123000000000, 0.0028667800000000, -0.0011076500000000 ] - [ -0.0125238900000000, -0.0012757500000000, 0.0026414500000000 ] - [ -0.0091063800000000, -0.0022544700000000, -0.0003008100000000 ] - [ -0.0083259200000000, -0.0031149400000000, 0.0007654400000000 ] - [ 0.0000000000000000, 0.0033519400000000, -0.0037001800000000 ] - [ 0.0000000000000000, 0.0031266900000000, -0.0036997500000000 ] - [ 0.0000000000000000, -0.0032661800000000, -0.0034012200000000 ] - [ 0.0000000000000000, -0.0029549100000000, -0.0025524200000000 ] - [ 0.0000000000000000, 0.0031866900000000, 0.0036189100000000 ] - [ 0.0000000000000000, 0.0030819200000000, 0.0032555200000000 ] - [ 0.0000000000000000, -0.0029364900000000, 0.0032690900000000 ] - [ 0.0000000000000000, -0.0037691400000000, 0.0031732400000000 ] - [ -0.0082684900000000, -0.0028541300000000, -0.0009055100000000 ] - [ -0.0086451900000000, -0.0025865100000000, -0.0009120600000000 ] - [ 0.0055046800000000, 0.0055363400000000, 0.0017840200000000 ] - [ 0.0087002100000000, 0.0021702800000000, -0.0014027500000000 ] - [ 0.0086328100000000, -0.0040984200000000, 0.0000861600000000 ] - [ 0.0084201800000000, -0.0029985700000000, -0.0015772100000000 ] - [ -0.0077967100000000, 0.0022740600000000, 0.0024857200000000 ] - [ -0.0083826200000000, 0.0025552700000000, 0.0010268300000000 ] - [ 0.0077967100000000, 0.0022740600000000, 0.0024857200000000 ] - [ 0.0083826200000000, 0.0025552700000000, 0.0010268300000000 ] - [ 0.0082684900000000, -0.0028541300000000, -0.0009055100000000 ] - [ 0.0086451900000000, -0.0025865100000000, -0.0009120600000000 ] - [ -0.0055046800000000, 0.0055363400000000, 0.0017840200000000 ] - [ -0.0087002100000000, 0.0021702800000000, -0.0014027500000000 ] - [ -0.0086328100000000, -0.0040984200000000, 0.0000861600000000 ] - [ -0.0084201800000000, -0.0029985700000000, -0.0015772100000000 ] - [ -0.0000092700000000, -0.0020035800000000, -0.0000269900000000 ] - [ -0.0000644800000000, -0.0017376700000000, -0.0001026500000000 ] - [ 0.0000000000000000, 0.0017381200000000, -0.0011331900000000 ] - [ 0.0000000000000000, 0.0135933000000000, 0.0136379800000000 ] - [ 0.0000000000000000, -0.0016845600000000, 0.0003369900000000 ] - [ 0.0000000000000000, -0.0014270600000000, 0.0010834300000000 ] - [ 0.0000000000000000, -0.0058102800000000, 0.0023790400000000 ] - [ 0.0000000000000000, 0.0015867000000000, 0.0014293600000000 ] - [ 0.0000393400000000, 0.0019554600000000, 0.0000495200000000 ] - [ -0.0009407000000000, 0.0016726000000000, 0.0003167500000000 ] - [ 0.0000092700000000, -0.0020035800000000, -0.0000269900000000 ] - [ 0.0000644800000000, -0.0017376700000000, -0.0001026500000000 ] - [ -0.0000393400000000, 0.0019554600000000, 0.0000495200000000 ] - [ 0.0009407000000000, 0.0016726000000000, 0.0003167500000000 ] - [ 0.0000000000000000, -0.0021327100000000, -0.0020753300000000 ] - [ 0.0000000000000000, -0.0003420100000000, -0.0011725600000000 ] - [ -0.0003671300000000, -0.0021238900000000, -0.0002201700000000 ] - [ 0.0002034400000000, -0.0014940400000000, -0.0002481400000000 ] - [ 0.0000000000000000, 0.0014795100000000, -0.0011451000000000 ] - [ 0.0000000000000000, 0.0015002000000000, -0.0010753000000000 ] - [ 0.0000000000000000, -0.0014307900000000, 0.0010341500000000 ] - [ 0.0000000000000000, -0.0015078700000000, 0.0011028800000000 ] - [ 0.0000000000000000, 0.0014987900000000, 0.0012558200000000 ] - [ 0.0000000000000000, 0.0014801400000000, 0.0013070400000000 ] - [ 0.0000159600000000, 0.0019495400000000, 0.0001019900000000 ] - [ 0.0000303200000000, 0.0017934200000000, 0.0000568400000000 ] - [ 0.0003671300000000, -0.0021238900000000, -0.0002201700000000 ] - [ -0.0002034400000000, -0.0014940400000000, -0.0002481400000000 ] - [ -0.0000159600000000, 0.0019495400000000, 0.0001019900000000 ] - [ -0.0000303200000000, 0.0017934200000000, 0.0000568400000000 ] - [ 0.0000000000000000, -0.0019779300000000, -0.0015809000000000 ] - [ 0.0000000000000000, -0.0013543400000000, -0.0013304300000000 ] - [ 0.0224341300000000, -0.0070044200000000, 0.0201422700000000 ] - [ 0.0083918500000000, 0.0009011600000000, 0.0004470500000000 ] - [ -0.0069662400000000, -0.0015894900000000, -0.0015368300000000 ] - [ -0.0081301400000000, 0.0004303800000000, 0.0000693200000000 ] - [ -0.0224341300000000, -0.0070044200000000, 0.0201422700000000 ] - [ -0.0083918500000000, 0.0009011600000000, 0.0004470500000000 ] - [ 0.0069662400000000, -0.0015894900000000, -0.0015368300000000 ] - [ 0.0081301400000000, 0.0004303800000000, 0.0000693200000000 ] - [ 0.0090198000000000, -0.0008916300000000, 0.0018319100000000 ] - [ 0.0075839600000000, 0.0012219800000000, 0.0015000300000000 ] - [ -0.0088428200000000, 0.0018428000000000, -0.0025055600000000 ] - [ -0.0085478900000000, 0.0003117500000000, -0.0009001400000000 ] - [ -0.0090198000000000, -0.0008916300000000, 0.0018319100000000 ] - [ -0.0075839600000000, 0.0012219800000000, 0.0015000300000000 ] - [ 0.0088428200000000, 0.0018428000000000, -0.0025055600000000 ] - [ 0.0085478900000000, 0.0003117500000000, -0.0009001400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0203842700000000, 0.0833403600000000 ] - [ 0.0000000000000000, 0.0032969600000000, -0.0032566900000000 ] - [ 0.0000000000000000, -0.0033557000000000, -0.0041839600000000 ] - [ 0.0000000000000000, -0.0031859400000000, -0.0039143600000000 ] - [ 0.0000000000000000, 0.0045193700000000, 0.0011949900000000 ] - [ 0.0000000000000000, 0.0028674000000000, 0.0012051800000000 ] - [ 0.0000000000000000, -0.0032835000000000, 0.0032967300000000 ] - [ 0.0000000000000000, 0.0027437400000000, -0.0061663600000000 ] - [ -0.0045386100000000, -0.0005108300000000, -0.0064926800000000 ] - [ -0.0084725900000000, -0.0025047900000000, -0.0009649100000000 ] - [ 0.0085670500000000, 0.0024881500000000, -0.0007084300000000 ] - [ 0.0043523300000000, 0.0066201000000000, -0.0044276300000000 ] - [ 0.0077848400000000, -0.0030942000000000, 0.0021219900000000 ] - [ 0.0085531500000000, -0.0022375500000000, 0.0010493800000000 ] - [ -0.0081727100000000, 0.0033114500000000, 0.0004836400000000 ] - [ -0.0089176900000000, 0.0026242000000000, -0.0000358100000000 ] - [ 0.0081727100000000, 0.0033114500000000, 0.0004836400000000 ] - [ 0.0089176900000000, 0.0026242000000000, -0.0000358100000000 ] - [ 0.0045386100000000, -0.0005108300000000, -0.0064926800000000 ] - [ 0.0084725900000000, -0.0025047900000000, -0.0009649100000000 ] - [ -0.0085670500000000, 0.0024881500000000, -0.0007084300000000 ] - [ -0.0043523300000000, 0.0066201000000000, -0.0044276300000000 ] - [ -0.0077848400000000, -0.0030942000000000, 0.0021219900000000 ] - [ -0.0085531500000000, -0.0022375500000000, 0.0010493800000000 ] - [ 0.0000000000000000, 0.0029872100000000, -0.0030292900000000 ] - [ 0.0000000000000000, 0.0032076300000000, -0.0030287700000000 ] - [ 0.0000000000000000, -0.0030691900000000, -0.0033259200000000 ] - [ 0.0000000000000000, -0.0033804100000000, -0.0041752100000000 ] - [ 0.0000000000000000, 0.0031495000000000, 0.0031100000000000 ] - [ 0.0000000000000000, 0.0032546400000000, 0.0034732500000000 ] - [ 0.0000000000000000, -0.0033977900000000, 0.0034569600000000 ] - [ 0.0000000000000000, -0.0025637900000000, 0.0035503300000000 ] - [ -0.0086108100000000, -0.0025005500000000, -0.0009075100000000 ] - [ -0.0082332000000000, -0.0027656200000000, -0.0008981000000000 ] - [ 0.0113496600000000, -0.0001595700000000, -0.0035704500000000 ] - [ 0.0081797400000000, 0.0031780900000000, -0.0004161500000000 ] - [ 0.0082656400000000, -0.0012660300000000, 0.0017268100000000 ] - [ 0.0084795700000000, -0.0023322300000000, 0.0033850300000000 ] - [ -0.0090841100000000, 0.0030793400000000, -0.0006744200000000 ] - [ -0.0084952500000000, 0.0027977300000000, 0.0007878000000000 ] - [ 0.0090841100000000, 0.0030793400000000, -0.0006744200000000 ] - [ 0.0084952500000000, 0.0027977300000000, 0.0007878000000000 ] - [ 0.0086108100000000, -0.0025005500000000, -0.0009075100000000 ] - [ 0.0082332000000000, -0.0027656200000000, -0.0008981000000000 ] - [ -0.0113496600000000, -0.0001595700000000, -0.0035704500000000 ] - [ -0.0081797400000000, 0.0031780900000000, -0.0004161500000000 ] - [ -0.0082656400000000, -0.0012660300000000, 0.0017268100000000 ] - [ -0.0084795700000000, -0.0023322300000000, 0.0033850300000000 ] - [ 0.0000069700000000, -0.0016403600000000, 0.0000321100000000 ] - [ 0.0000646600000000, -0.0019068800000000, 0.0001026400000000 ] - [ 0.0000000000000000, 0.0012465300000000, -0.0012706700000000 ] - [ 0.0000000000000000, -0.0111989800000000, -0.0171869000000000 ] - [ 0.0000000000000000, -0.0013047100000000, 0.0020621400000000 ] - [ 0.0000000000000000, -0.0015602800000000, 0.0013213400000000 ] - [ 0.0000000000000000, 0.0088545200000000, 0.0000638300000000 ] - [ 0.0000000000000000, 0.0013989900000000, 0.0009779000000000 ] - [ -0.0000400400000000, 0.0016893400000000, -0.0000505100000000 ] - [ 0.0009364600000000, 0.0019731500000000, -0.0003086600000000 ] - [ -0.0000069700000000, -0.0016403600000000, 0.0000321100000000 ] - [ -0.0000646600000000, -0.0019068800000000, 0.0001026400000000 ] - [ 0.0000400400000000, 0.0016893400000000, -0.0000505100000000 ] - [ -0.0009364600000000, 0.0019731500000000, -0.0003086600000000 ] - [ 0.0000000000000000, -0.0008613000000000, -0.0003337700000000 ] - [ 0.0000000000000000, -0.0026326000000000, -0.0012295300000000 ] - [ 0.0003674700000000, -0.0015221300000000, 0.0002189600000000 ] - [ -0.0002026400000000, -0.0021481400000000, 0.0002474000000000 ] - [ 0.0000000000000000, 0.0015074200000000, -0.0012588300000000 ] - [ 0.0000000000000000, 0.0014869300000000, -0.0013287900000000 ] - [ 0.0000000000000000, -0.0015580900000000, 0.0013693300000000 ] - [ 0.0000000000000000, -0.0014787000000000, 0.0013018800000000 ] - [ 0.0000000000000000, 0.0014894900000000, 0.0011484100000000 ] - [ 0.0000000000000000, 0.0015099200000000, 0.0010974400000000 ] - [ -0.0000095500000000, 0.0016923800000000, -0.0000971500000000 ] - [ -0.0000309500000000, 0.0018492600000000, -0.0000569900000000 ] - [ -0.0003674700000000, -0.0015221300000000, 0.0002189600000000 ] - [ 0.0002026400000000, -0.0021481400000000, 0.0002474000000000 ] - [ 0.0000095500000000, 0.0016923800000000, -0.0000971500000000 ] - [ 0.0000309500000000, 0.0018492600000000, -0.0000569900000000 ] - [ 0.0000000000000000, -0.0010104300000000, -0.0008218600000000 ] - [ 0.0000000000000000, -0.0016357500000000, -0.0010738600000000 ] - [ -0.0051867700000000, 0.0066848200000000, -0.0198288500000000 ] - [ 0.0081252900000000, -0.0008945500000000, -0.0004408900000000 ] - [ -0.0095542500000000, 0.0015946000000000, 0.0015322200000000 ] - [ -0.0083884800000000, -0.0004322800000000, -0.0000710300000000 ] - [ 0.0051867700000000, 0.0066848200000000, -0.0198288500000000 ] - [ -0.0081252900000000, -0.0008945500000000, -0.0004408900000000 ] - [ 0.0095542500000000, 0.0015946000000000, 0.0015322200000000 ] - [ 0.0083884800000000, -0.0004322800000000, -0.0000710300000000 ] - [ 0.0074942200000000, 0.0008787400000000, -0.0018292900000000 ] - [ 0.0089297800000000, -0.0012217500000000, -0.0014942000000000 ] - [ -0.0076708000000000, -0.0018400900000000, 0.0025063600000000 ] - [ -0.0079800400000000, -0.0003132100000000, 0.0008867100000000 ] - [ -0.0074942200000000, 0.0008787400000000, -0.0018292900000000 ] - [ -0.0089297800000000, -0.0012217500000000, -0.0014942000000000 ] - [ 0.0076708000000000, -0.0018400900000000, 0.0025063600000000 ] - [ 0.0079800400000000, -0.0003132100000000, 0.0008867100000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0012533200000000, 0.0038235700000000, -0.0072188700000000 ] - [ -0.0000268500000000, 0.0030622800000000, -0.0033300100000000 ] - [ 0.0020962500000000, -0.0042742300000000, -0.0004525200000000 ] - [ -0.0002382900000000, -0.0034791200000000, -0.0036224500000000 ] - [ 0.0029896600000000, -0.0010470200000000, 0.0033376300000000 ] - [ 0.0011197200000000, 0.0053621400000000, 0.0035505300000000 ] - [ 0.0000556200000000, -0.0033043300000000, 0.0036295600000000 ] - [ -0.0001163800000000, -0.0028801400000000, 0.0028834400000000 ] - [ -0.0786508900000000, -0.0007730600000000, 0.0217814100000000 ] - [ -0.0087166500000000, -0.0030331300000000, -0.0008511600000000 ] - [ 0.0081457400000000, 0.0027293200000000, -0.0010605200000000 ] - [ 0.0082594600000000, 0.0026788100000000, -0.0012070600000000 ] - [ 0.0092751500000000, -0.0020997000000000, 0.0035234700000000 ] - [ 0.0082697800000000, -0.0028251500000000, 0.0009254000000000 ] - [ -0.0079044000000000, 0.0009456900000000, 0.0019562900000000 ] - [ -0.0100091500000000, 0.0022849500000000, 0.0003454500000000 ] - [ 0.0090395500000000, 0.0021181500000000, 0.0009444200000000 ] - [ 0.0094833500000000, 0.0022259000000000, 0.0010164400000000 ] - [ 0.0148334400000000, -0.0033254400000000, 0.0004057200000000 ] - [ 0.0089555400000000, -0.0028567300000000, -0.0006891300000000 ] - [ -0.0082772800000000, 0.0027282400000000, -0.0009474800000000 ] - [ -0.0081115900000000, 0.0027966000000000, -0.0013470100000000 ] - [ -0.0080814800000000, -0.0025965300000000, 0.0011210400000000 ] - [ -0.0083258600000000, -0.0028436600000000, 0.0008881500000000 ] - [ -0.0001140800000000, 0.0032263200000000, -0.0035699500000000 ] - [ -0.0000304800000000, 0.0031649700000000, -0.0031904700000000 ] - [ 0.0002915900000000, -0.0031619400000000, -0.0032343300000000 ] - [ 0.0075532200000000, -0.0038537200000000, -0.0074568500000000 ] - [ 0.0063476100000000, 0.0031702000000000, 0.0040266400000000 ] - [ 0.0002034800000000, 0.0030576200000000, 0.0032479700000000 ] - [ 0.0002850500000000, -0.0029013100000000, 0.0027159800000000 ] - [ 0.0000541200000000, -0.0032178400000000, 0.0033062900000000 ] - [ -0.0080063600000000, -0.0027006500000000, -0.0010066400000000 ] - [ -0.0080061300000000, -0.0029816600000000, -0.0008785300000000 ] - [ 0.0086572500000000, 0.0028182700000000, -0.0007333300000000 ] - [ 0.0084810200000000, 0.0025629100000000, -0.0009737000000000 ] - [ 0.0086987000000000, -0.0027044200000000, 0.0006406300000000 ] - [ 0.0086997400000000, -0.0024876600000000, 0.0007006300000000 ] - [ -0.0078628600000000, 0.0032327000000000, 0.0013649200000000 ] - [ -0.0083156400000000, 0.0025122700000000, 0.0010505000000000 ] - [ 0.0098083500000000, 0.0067255600000000, -0.0061364400000000 ] - [ 0.0082589500000000, 0.0021664500000000, 0.0005477100000000 ] - [ 0.0090883100000000, -0.0001044400000000, -0.0019642900000000 ] - [ 0.0090968700000000, -0.0083009700000000, -0.0016537800000000 ] - [ -0.0086439800000000, 0.0027437500000000, -0.0011561400000000 ] - [ -0.0086290700000000, 0.0025205500000000, -0.0010734300000000 ] - [ -0.0085640700000000, -0.0033127200000000, -0.0000387200000000 ] - [ -0.0085655700000000, -0.0022512200000000, 0.0004088400000000 ] - [ -0.0000546400000000, -0.0019958500000000, -0.0000295700000000 ] - [ -0.0000837900000000, -0.0017298500000000, -0.0000358600000000 ] - [ 0.0001870300000000, 0.0020733300000000, -0.0009972200000000 ] - [ 0.0115673900000000, 0.0103149900000000, -0.0058420300000000 ] - [ 0.0001429800000000, -0.0018715400000000, 0.0013651300000000 ] - [ -0.0001038300000000, -0.0012814100000000, 0.0011444900000000 ] - [ 0.0002347000000000, 0.0011243400000000, 0.0010820600000000 ] - [ 0.0000177200000000, 0.0015600300000000, 0.0012530100000000 ] - [ 0.0001352000000000, 0.0019952000000000, -0.0000971800000000 ] - [ -0.0008488900000000, -0.0025667900000000, 0.0040404800000000 ] - [ 0.0003112600000000, -0.0017791700000000, 0.0001355800000000 ] - [ 0.0001881700000000, -0.0016127300000000, -0.0000874100000000 ] - [ -0.0001185100000000, 0.0019235600000000, 0.0000445700000000 ] - [ -0.0006684000000000, 0.0016974700000000, 0.0001568700000000 ] - [ 0.0000944600000000, -0.0015411400000000, -0.0018263400000000 ] - [ -0.0000094400000000, -0.0015437700000000, -0.0011871900000000 ] - [ 0.0004004600000000, -0.0022429800000000, 0.0001456100000000 ] - [ 0.0001079800000000, -0.0016883200000000, 0.0001209800000000 ] - [ 0.0006483000000000, 0.0012212000000000, -0.0013592600000000 ] - [ -0.0001888700000000, 0.0016525000000000, -0.0014448700000000 ] - [ -0.0004860100000000, -0.0017699200000000, 0.0013152600000000 ] - [ -0.0000114700000000, -0.0010845100000000, 0.0013020800000000 ] - [ -0.0000262500000000, 0.0014806400000000, 0.0011539300000000 ] - [ -0.0000401800000000, 0.0017024900000000, 0.0007860200000000 ] - [ -0.0001826900000000, 0.0017618000000000, 0.0000350600000000 ] - [ -0.0001449900000000, 0.0018891000000000, -0.0000112600000000 ] - [ -0.0001507500000000, -0.0018645300000000, 0.0000503400000000 ] - [ -0.0000386800000000, -0.0017296000000000, 0.0001049500000000 ] - [ 0.0034580100000000, 0.0106372900000000, 0.0107768300000000 ] - [ 0.0002056900000000, 0.0019339300000000, -0.0002123900000000 ] - [ 0.0000538500000000, -0.0015346000000000, -0.0006532700000000 ] - [ -0.0000071100000000, -0.0014500900000000, -0.0011645000000000 ] - [ 0.0096845400000000, -0.0000414200000000, 0.0005658600000000 ] - [ 0.0087338800000000, 0.0006965200000000, 0.0003242400000000 ] - [ 0.0161606500000000, -0.0162916800000000, -0.0153380100000000 ] - [ -0.0077573600000000, 0.0001203700000000, 0.0002987000000000 ] - [ -0.0094661000000000, -0.0007530000000000, 0.0007541200000000 ] - [ -0.0085243100000000, 0.0003217700000000, 0.0001113800000000 ] - [ 0.0033607900000000, -0.0009075800000000, -0.0010725600000000 ] - [ 0.0074293400000000, 0.0001440600000000, -0.0000362100000000 ] - [ 0.0075184900000000, -0.0004041300000000, 0.0001848000000000 ] - [ 0.0079449700000000, 0.0002134800000000, 0.0001240200000000 ] - [ -0.0099256200000000, 0.0001817900000000, -0.0007466400000000 ] - [ -0.0090405100000000, 0.0006741200000000, -0.0007474300000000 ] - [ -0.0075173700000000, -0.0010660800000000, 0.0006204800000000 ] - [ -0.0077862500000000, 0.0001790500000000, 0.0001580600000000 ] - [ 0.0100976000000000, 0.0068866300000000, -0.0062861300000000 ] - [ 0.0103947900000000, 0.0010246000000000, 0.0004941700000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0012563400000000, 0.0025122500000000, 0.0005217700000000 ] - [ 0.0000282300000000, 0.0032731300000000, -0.0033949900000000 ] - [ -0.0020937600000000, -0.0020511300000000, -0.0062988700000000 ] - [ 0.0002360800000000, -0.0028619500000000, -0.0031032600000000 ] - [ -0.0030056100000000, 0.0074458000000000, 0.0033987400000000 ] - [ -0.0011239800000000, 0.0009551000000000, 0.0031846100000000 ] - [ -0.0000533800000000, -0.0030320000000000, 0.0030985000000000 ] - [ 0.0001165900000000, -0.0034556400000000, 0.0038422300000000 ] - [ 0.0617814300000000, -0.0032359300000000, -0.0233641200000000 ] - [ -0.0081583000000000, -0.0023250000000000, -0.0009659800000000 ] - [ 0.0087286300000000, 0.0026217000000000, -0.0007578400000000 ] - [ 0.0086167300000000, 0.0026741200000000, -0.0006165800000000 ] - [ 0.0075985900000000, -0.0032512100000000, -0.0017158800000000 ] - [ 0.0086058900000000, -0.0025290700000000, 0.0008927200000000 ] - [ -0.0089824700000000, 0.0043324900000000, -0.0000953800000000 ] - [ -0.0068839800000000, 0.0030446900000000, 0.0014625400000000 ] - [ 0.0078395300000000, 0.0032332300000000, 0.0008734900000000 ] - [ 0.0074062300000000, 0.0031190300000000, 0.0008013900000000 ] - [ 0.0019635900000000, -0.0020028000000000, -0.0022372400000000 ] - [ 0.0079181700000000, -0.0024944900000000, -0.0011289000000000 ] - [ -0.0085998300000000, 0.0026232900000000, -0.0008711000000000 ] - [ -0.0087644900000000, 0.0025550000000000, -0.0004724300000000 ] - [ -0.0087951600000000, -0.0027549900000000, 0.0006974300000000 ] - [ -0.0085509400000000, -0.0025083500000000, 0.0009296600000000 ] - [ 0.0001095600000000, 0.0031101700000000, -0.0031593600000000 ] - [ 0.0000308600000000, 0.0031713800000000, -0.0035341700000000 ] - [ -0.0002956000000000, -0.0031758800000000, -0.0034903700000000 ] - [ -0.0074931100000000, -0.0024802000000000, 0.0007136700000000 ] - [ -0.0062308000000000, 0.0031581300000000, 0.0027067200000000 ] - [ -0.0002075200000000, 0.0032739800000000, 0.0034766000000000 ] - [ -0.0002878100000000, -0.0034338300000000, 0.0040045100000000 ] - [ -0.0000545400000000, -0.0031189200000000, 0.0034201000000000 ] - [ -0.0088691800000000, -0.0026518400000000, -0.0008113400000000 ] - [ -0.0088689200000000, -0.0023754300000000, -0.0009371700000000 ] - [ 0.0082196900000000, 0.0025341700000000, -0.0010869200000000 ] - [ 0.0083963000000000, 0.0027881800000000, -0.0008443300000000 ] - [ 0.0081787700000000, -0.0026485900000000, 0.0011778000000000 ] - [ 0.0081798900000000, -0.0028621400000000, 0.0011139100000000 ] - [ -0.0090112300000000, 0.0021249900000000, 0.0004503100000000 ] - [ -0.0085618400000000, 0.0028376400000000, 0.0007671300000000 ] - [ 0.0070553400000000, -0.0013439100000000, 0.0079038400000000 ] - [ 0.0086191000000000, 0.0031590600000000, 0.0012716100000000 ] - [ 0.0077674300000000, -0.0052801400000000, 0.0001590700000000 ] - [ 0.0077760800000000, 0.0028873000000000, -0.0001590000000000 ] - [ -0.0082324000000000, 0.0026077900000000, -0.0006690500000000 ] - [ -0.0082486200000000, 0.0028306700000000, -0.0007478100000000 ] - [ -0.0083140800000000, -0.0020460000000000, 0.0018502400000000 ] - [ -0.0083153600000000, -0.0030957300000000, 0.0014051600000000 ] - [ 0.0000543900000000, -0.0016492500000000, 0.0000297800000000 ] - [ 0.0000834200000000, -0.0019140900000000, 0.0000361600000000 ] - [ -0.0001893800000000, 0.0009107800000000, -0.0014120500000000 ] - [ -0.0120904600000000, -0.0078322800000000, 0.0038013500000000 ] - [ -0.0001409500000000, -0.0011201500000000, 0.0010429900000000 ] - [ 0.0000992300000000, -0.0017036700000000, 0.0012611900000000 ] - [ -0.0002335700000000, 0.0018701600000000, 0.0013226000000000 ] - [ -0.0000174300000000, 0.0014269200000000, 0.0011541000000000 ] - [ -0.0001361100000000, 0.0016531900000000, 0.0000972900000000 ] - [ 0.0007958100000000, 0.0062002400000000, -0.0040509800000000 ] - [ -0.0003120200000000, -0.0018681600000000, -0.0001322900000000 ] - [ -0.0001828800000000, -0.0020253100000000, 0.0000849500000000 ] - [ 0.0001197900000000, 0.0017205000000000, -0.0000454100000000 ] - [ 0.0006591800000000, 0.0019475900000000, -0.0001553800000000 ] - [ -0.0000951700000000, -0.0014483400000000, -0.0005768500000000 ] - [ 0.0000092400000000, -0.0014443600000000, -0.0012186800000000 ] - [ -0.0003977300000000, -0.0014048400000000, -0.0001436100000000 ] - [ -0.0001118600000000, -0.0019492500000000, -0.0001164200000000 ] - [ -0.0006427900000000, 0.0017609700000000, -0.0010464900000000 ] - [ 0.0001868300000000, 0.0013374000000000, -0.0009641800000000 ] - [ 0.0004859100000000, -0.0012183600000000, 0.0010899300000000 ] - [ 0.0000114100000000, -0.0018998000000000, 0.0011051100000000 ] - [ 0.0000263100000000, 0.0015088000000000, 0.0012519500000000 ] - [ 0.0000414800000000, 0.0012878400000000, 0.0016145900000000 ] - [ 0.0001823400000000, 0.0018824500000000, -0.0000374500000000 ] - [ 0.0001434200000000, 0.0017549100000000, 0.0000101900000000 ] - [ 0.0001497000000000, -0.0017807100000000, -0.0000500900000000 ] - [ 0.0000378200000000, -0.0019135800000000, -0.0001040400000000 ] - [ -0.0035186900000000, -0.0069189700000000, -0.0106925200000000 ] - [ -0.0002031100000000, 0.0017122800000000, 0.0002102300000000 ] - [ -0.0000534100000000, -0.0014550100000000, -0.0017513700000000 ] - [ 0.0000075600000000, -0.0015382600000000, -0.0012421300000000 ] - [ 0.0068326100000000, 0.0000359300000000, -0.0005540300000000 ] - [ 0.0077865700000000, -0.0006855200000000, -0.0003219900000000 ] - [ -0.0319572000000000, 0.0156146100000000, 0.0145962200000000 ] - [ -0.0087529000000000, -0.0000922800000000, -0.0003031300000000 ] - [ -0.0070602800000000, 0.0007527000000000, -0.0007485000000000 ] - [ -0.0079994900000000, -0.0003195400000000, -0.0001127900000000 ] - [ 0.0131205500000000, 0.0009151000000000, 0.0010784500000000 ] - [ 0.0090950400000000, -0.0001408600000000, 0.0000373000000000 ] - [ 0.0090049300000000, 0.0004016700000000, -0.0001829800000000 ] - [ 0.0085726700000000, -0.0002134900000000, -0.0001220700000000 ] - [ -0.0066134000000000, -0.0001757700000000, 0.0007530200000000 ] - [ -0.0074873000000000, -0.0006698700000000, 0.0007408800000000 ] - [ -0.0089948600000000, 0.0010702900000000, -0.0005999900000000 ] - [ -0.0087320700000000, -0.0001770900000000, -0.0001537400000000 ] - [ 0.0063617000000000, -0.0070648300000000, 0.0063623000000000 ] - [ 0.0061416300000000, -0.0009988200000000, -0.0005030500000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0014660200000000, 0.0027031100000000, -0.0055267400000000 ] - [ 0.0000252800000000, 0.0033973600000000, -0.0035329300000000 ] - [ -0.0031026700000000, -0.0034177300000000, -0.0062119700000000 ] - [ 0.0005232300000000, -0.0024883600000000, -0.0028581300000000 ] - [ -0.0066666100000000, 0.0085237400000000, 0.0037069300000000 ] - [ 0.0016589800000000, 0.0069731400000000, 0.0047758800000000 ] - [ -0.0001859700000000, -0.0029408700000000, 0.0027277800000000 ] - [ 0.0001390500000000, -0.0033485700000000, 0.0034109300000000 ] - [ -0.0073464600000000, -0.0963155600000000, 0.0113353800000000 ] - [ -0.0087947700000000, -0.0011370700000000, -0.0009780700000000 ] - [ 0.0084928200000000, 0.0026735100000000, -0.0012633900000000 ] - [ 0.0084397600000000, 0.0026983000000000, -0.0004724600000000 ] - [ 0.0078616000000000, -0.0041202600000000, -0.0002463100000000 ] - [ 0.0085867400000000, -0.0022239400000000, 0.0010152800000000 ] - [ -0.0067334200000000, 0.0128822600000000, -0.0043931300000000 ] - [ -0.0080595700000000, 0.0083291500000000, 0.0062500400000000 ] - [ 0.0078814400000000, 0.0033145300000000, 0.0007664300000000 ] - [ 0.0079899800000000, 0.0025704400000000, 0.0009704700000000 ] - [ 0.0091090600000000, -0.0041850200000000, -0.0008182900000000 ] - [ 0.0086191500000000, -0.0015268300000000, -0.0010503900000000 ] - [ -0.0084920600000000, 0.0026786000000000, -0.0010084400000000 ] - [ -0.0085590600000000, 0.0028496600000000, -0.0007083600000000 ] - [ -0.0083590900000000, -0.0030798300000000, 0.0007640100000000 ] - [ -0.0086070600000000, -0.0022930800000000, 0.0009475600000000 ] - [ 0.0000761700000000, 0.0029403100000000, -0.0032740900000000 ] - [ -0.0001822800000000, 0.0034362200000000, -0.0035415700000000 ] - [ 0.0003697000000000, -0.0028642300000000, -0.0035537600000000 ] - [ -0.0049857100000000, -0.0013742400000000, 0.0005952900000000 ] - [ -0.0024196100000000, 0.0026088200000000, 0.0029450100000000 ] - [ 0.0004834900000000, 0.0041268400000000, 0.0038035000000000 ] - [ 0.0000762200000000, -0.0032290800000000, 0.0029599400000000 ] - [ -0.0000229500000000, -0.0029658600000000, 0.0032408400000000 ] - [ -0.0087426600000000, -0.0025708300000000, -0.0009222900000000 ] - [ -0.0084648500000000, -0.0025649400000000, -0.0009333300000000 ] - [ 0.0085817200000000, 0.0020795300000000, -0.0012977700000000 ] - [ 0.0083257000000000, 0.0030489400000000, -0.0008123600000000 ] - [ 0.0082508600000000, -0.0025718900000000, 0.0012352300000000 ] - [ 0.0084687100000000, -0.0025677200000000, 0.0007010900000000 ] - [ -0.0089957200000000, 0.0017637800000000, 0.0008968300000000 ] - [ -0.0082762700000000, 0.0032697100000000, 0.0007848900000000 ] - [ 0.0124776100000000, 0.0014904000000000, -0.0044188800000000 ] - [ 0.0079445900000000, 0.0072427100000000, 0.0009550300000000 ] - [ 0.0140649500000000, 0.0070579500000000, -0.0034378500000000 ] - [ 0.0058719000000000, 0.0069576100000000, 0.0022269100000000 ] - [ -0.0085062000000000, 0.0023006000000000, -0.0013146700000000 ] - [ -0.0082821700000000, 0.0029980600000000, -0.0006835000000000 ] - [ -0.0080171400000000, -0.0031173600000000, 0.0010201800000000 ] - [ -0.0090717400000000, -0.0031174900000000, 0.0009536400000000 ] - [ 0.0000756400000000, -0.0015599000000000, -0.0000176500000000 ] - [ 0.0001204500000000, -0.0020349700000000, 0.0000631100000000 ] - [ -0.0002206300000000, 0.0006790900000000, -0.0014536700000000 ] - [ 0.0095823700000000, 0.0074051800000000, -0.0047825100000000 ] - [ -0.0002640700000000, -0.0008024100000000, 0.0010887700000000 ] - [ 0.0004978400000000, -0.0019201800000000, 0.0013770600000000 ] - [ -0.0008810100000000, 0.0021044600000000, 0.0015316100000000 ] - [ -0.0000209300000000, 0.0012765500000000, 0.0014985800000000 ] - [ 0.0001165000000000, 0.0013068700000000, -0.0004145700000000 ] - [ -0.0010712400000000, 0.0048179700000000, -0.0067127700000000 ] - [ 0.0003581200000000, -0.0010921100000000, -0.0000256400000000 ] - [ -0.0007962400000000, -0.0027975200000000, 0.0003790300000000 ] - [ 0.0000886200000000, 0.0016217800000000, -0.0000972900000000 ] - [ -0.0004148600000000, 0.0018952400000000, 0.0001122600000000 ] - [ 0.0000366600000000, -0.0014174400000000, -0.0006124200000000 ] - [ -0.0000138800000000, -0.0016176000000000, -0.0012794900000000 ] - [ 0.0000311900000000, -0.0018242100000000, -0.0001290500000000 ] - [ 0.0006313500000000, -0.0026220700000000, -0.0005477800000000 ] - [ 0.0002001700000000, 0.0022176700000000, -0.0013459500000000 ] - [ 0.0004878800000000, 0.0009857000000000, -0.0007621100000000 ] - [ -0.0003706200000000, -0.0016708000000000, 0.0013625800000000 ] - [ -0.0000121500000000, -0.0020578900000000, 0.0011361900000000 ] - [ -0.0000154400000000, 0.0013970600000000, 0.0011284400000000 ] - [ 0.0001155900000000, 0.0015026500000000, 0.0012221200000000 ] - [ -0.0000372700000000, 0.0021155600000000, 0.0000047200000000 ] - [ 0.0000817000000000, 0.0016237700000000, 0.0000597200000000 ] - [ -0.0000321200000000, -0.0017810500000000, 0.0000558300000000 ] - [ 0.0000089200000000, -0.0019052900000000, -0.0000250200000000 ] - [ 0.0051952600000000, 0.0104888300000000, 0.0150486600000000 ] - [ -0.0002499000000000, 0.0011257700000000, 0.0002905400000000 ] - [ -0.0000409300000000, -0.0013100600000000, -0.0015158700000000 ] - [ -0.0000606300000000, -0.0016681100000000, -0.0010947800000000 ] - [ 0.0082610500000000, 0.0006304800000000, 0.0007480100000000 ] - [ 0.0081036600000000, -0.0009742700000000, 0.0001222500000000 ] - [ -0.0166452500000000, 0.0103265100000000, 0.0023577200000000 ] - [ -0.0096865300000000, -0.0047798300000000, 0.0009356700000000 ] - [ -0.0087830200000000, 0.0002704200000000, 0.0005213400000000 ] - [ -0.0079185700000000, -0.0007180300000000, 0.0000007200000000 ] - [ 0.0099802200000000, 0.0010405100000000, 0.0003286000000000 ] - [ 0.0084288900000000, -0.0009106500000000, -0.0001139400000000 ] - [ 0.0081730800000000, 0.0005568500000000, 0.0000237100000000 ] - [ 0.0085396300000000, -0.0005801200000000, -0.0000142100000000 ] - [ -0.0054506200000000, 0.0018809800000000, 0.0004983000000000 ] - [ -0.0095749300000000, -0.0011102100000000, -0.0007388100000000 ] - [ -0.0083652900000000, 0.0012801800000000, 0.0003672800000000 ] - [ -0.0082050100000000, -0.0008134700000000, -0.0001585000000000 ] - [ 0.0083236800000000, 0.0264275200000000, -0.0150616500000000 ] - [ 0.0067819500000000, -0.0039039600000000, -0.0010895100000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0014579900000000, 0.0036441000000000, -0.0012297400000000 ] - [ -0.0000252100000000, 0.0029388600000000, -0.0031946200000000 ] - [ 0.0030914300000000, -0.0029443000000000, -0.0005170600000000 ] - [ -0.0005313100000000, -0.0038459900000000, -0.0038669500000000 ] - [ 0.0065701000000000, -0.0021000000000000, 0.0030411300000000 ] - [ -0.0016746600000000, -0.0006685800000000, 0.0019443100000000 ] - [ 0.0001846400000000, -0.0033955700000000, 0.0039973800000000 ] - [ -0.0001377600000000, -0.0029830500000000, 0.0033104900000000 ] - [ -0.0098127900000000, 0.0894378500000000, -0.0125211800000000 ] - [ -0.0080875200000000, -0.0042108600000000, -0.0008348700000000 ] - [ 0.0083862200000000, 0.0026736700000000, -0.0005576000000000 ] - [ 0.0084361800000000, 0.0026601400000000, -0.0013516100000000 ] - [ 0.0090140300000000, -0.0012293700000000, 0.0020242900000000 ] - [ 0.0082915300000000, -0.0031279000000000, 0.0008003900000000 ] - [ -0.0101212200000000, -0.0074273200000000, 0.0061667300000000 ] - [ -0.0088199600000000, -0.0030306800000000, -0.0045139500000000 ] - [ 0.0089974700000000, 0.0020355200000000, 0.0010480100000000 ] - [ 0.0088840000000000, 0.0027861400000000, 0.0008461200000000 ] - [ 0.0077873400000000, -0.0011744800000000, -0.0009894300000000 ] - [ 0.0082578900000000, -0.0038221000000000, -0.0007647100000000 ] - [ -0.0083882700000000, 0.0026708800000000, -0.0008086500000000 ] - [ -0.0083184100000000, 0.0025074100000000, -0.0011082600000000 ] - [ -0.0085186100000000, -0.0022738200000000, 0.0010501500000000 ] - [ -0.0082726100000000, -0.0030575300000000, 0.0008678700000000 ] - [ -0.0000808100000000, 0.0033921300000000, -0.0034541400000000 ] - [ 0.0001827800000000, 0.0029031300000000, -0.0031889000000000 ] - [ -0.0003660500000000, -0.0034736300000000, -0.0031760400000000 ] - [ 0.0049645400000000, -0.0049945200000000, -0.0073014800000000 ] - [ 0.0024077100000000, 0.0037327800000000, 0.0037857400000000 ] - [ -0.0004768000000000, 0.0022110400000000, 0.0029270000000000 ] - [ -0.0000784500000000, -0.0031098500000000, 0.0037661500000000 ] - [ 0.0000233800000000, -0.0033688400000000, 0.0034842100000000 ] - [ -0.0081372600000000, -0.0027863800000000, -0.0008931100000000 ] - [ -0.0084167900000000, -0.0027804100000000, -0.0008816900000000 ] - [ 0.0082983800000000, 0.0032712900000000, -0.0005194100000000 ] - [ 0.0085519200000000, 0.0023053700000000, -0.0010038000000000 ] - [ 0.0086261900000000, -0.0027834800000000, 0.0005821300000000 ] - [ 0.0084134800000000, -0.0027791800000000, 0.0011115200000000 ] - [ -0.0078889300000000, 0.0035826700000000, 0.0009176700000000 ] - [ -0.0086024600000000, 0.0020836400000000, 0.0010292300000000 ] - [ 0.0044091400000000, 0.0038223200000000, 0.0062090800000000 ] - [ 0.0089380600000000, -0.0018884100000000, 0.0008618900000000 ] - [ 0.0028775600000000, -0.0123287300000000, 0.0016173100000000 ] - [ 0.0110487900000000, -0.0124291600000000, -0.0040671600000000 ] - [ -0.0083710300000000, 0.0030474400000000, -0.0005075900000000 ] - [ -0.0085933100000000, 0.0023554700000000, -0.0011341900000000 ] - [ -0.0088623300000000, -0.0022346000000000, 0.0008032800000000 ] - [ -0.0078059800000000, -0.0022348500000000, 0.0008703100000000 ] - [ -0.0000762700000000, -0.0020841600000000, 0.0000184400000000 ] - [ -0.0001194000000000, -0.0016095800000000, -0.0000621700000000 ] - [ 0.0002173200000000, 0.0023027100000000, -0.0009539500000000 ] - [ -0.0098933400000000, -0.0045177400000000, 0.0025385000000000 ] - [ 0.0002646300000000, -0.0021846900000000, 0.0013162500000000 ] - [ -0.0004928100000000, -0.0010662800000000, 0.0010283100000000 ] - [ 0.0008766200000000, 0.0008889300000000, 0.0008734800000000 ] - [ 0.0000211600000000, 0.0017102400000000, 0.0009044800000000 ] - [ -0.0001149100000000, 0.0023372400000000, 0.0004095600000000 ] - [ 0.0011851200000000, -0.0013097000000000, 0.0069755000000000 ] - [ -0.0003560100000000, -0.0025527600000000, 0.0000262500000000 ] - [ 0.0007916600000000, -0.0008492300000000, -0.0003693400000000 ] - [ -0.0000866100000000, 0.0020222400000000, 0.0000956900000000 ] - [ 0.0004088900000000, 0.0017473000000000, -0.0001109700000000 ] - [ -0.0000362700000000, -0.0015694100000000, -0.0017900100000000 ] - [ 0.0000146100000000, -0.0013722000000000, -0.0011229100000000 ] - [ -0.0000328800000000, -0.0018156800000000, 0.0001292700000000 ] - [ -0.0006372900000000, -0.0010198300000000, 0.0005546000000000 ] - [ -0.0002029500000000, 0.0007732500000000, -0.0010617500000000 ] - [ -0.0004931800000000, 0.0020015100000000, -0.0016503600000000 ] - [ 0.0003715800000000, -0.0013140100000000, 0.0010408800000000 ] - [ 0.0000113900000000, -0.0009302200000000, 0.0012685000000000 ] - [ 0.0000156900000000, 0.0015917300000000, 0.0012729500000000 ] - [ -0.0001099400000000, 0.0014829700000000, 0.0011825200000000 ] - [ 0.0000363400000000, 0.0015315800000000, -0.0000050200000000 ] - [ -0.0000824900000000, 0.0020184800000000, -0.0000609200000000 ] - [ 0.0000329200000000, -0.0018619300000000, -0.0000549700000000 ] - [ -0.0000091500000000, -0.0017405200000000, 0.0000256500000000 ] - [ -0.0049833600000000, -0.0066248400000000, -0.0145853200000000 ] - [ 0.0002514400000000, 0.0025182300000000, -0.0002949100000000 ] - [ 0.0000404100000000, -0.0016787900000000, -0.0008923700000000 ] - [ 0.0000599000000000, -0.0013207100000000, -0.0013078500000000 ] - [ 0.0082581300000000, -0.0006457100000000, -0.0007225600000000 ] - [ 0.0084143100000000, 0.0009815000000000, -0.0001170700000000 ] - [ 0.0004211400000000, -0.0102624400000000, -0.0025780200000000 ] - [ -0.0068437500000000, 0.0047719500000000, -0.0009523500000000 ] - [ -0.0077495600000000, -0.0002783100000000, -0.0005092700000000 ] - [ -0.0085979200000000, 0.0007187000000000, 0.0000001300000000 ] - [ 0.0065497800000000, -0.0010458100000000, -0.0003327600000000 ] - [ 0.0080874900000000, 0.0009142500000000, 0.0001158800000000 ] - [ 0.0083485200000000, -0.0005518500000000, -0.0000223300000000 ] - [ 0.0079778900000000, 0.0005733600000000, 0.0000171300000000 ] - [ -0.0110542400000000, -0.0018574400000000, -0.0004882200000000 ] - [ -0.0069369100000000, 0.0010996000000000, 0.0007364700000000 ] - [ -0.0081501000000000, -0.0012537700000000, -0.0003381100000000 ] - [ -0.0083154000000000, 0.0008069800000000, 0.0001618600000000 ] - [ 0.0081521400000000, -0.0249452800000000, 0.0139352800000000 ] - [ 0.0097694300000000, 0.0038919100000000, 0.0010797100000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0021851200000000, 0.0027187000000000, 0.0022187300000000 ] - [ 0.0000670500000000, 0.0031341100000000, -0.0033059500000000 ] - [ 0.0030200300000000, -0.0040001600000000, -0.0007004100000000 ] - [ 0.0002442900000000, -0.0032856800000000, -0.0038577000000000 ] - [ -0.0009812600000000, 0.0039149000000000, 0.0008767200000000 ] - [ -0.0009590500000000, 0.0023573400000000, 0.0025417500000000 ] - [ 0.0001780000000000, -0.0033314400000000, 0.0037871200000000 ] - [ -0.0001966100000000, -0.0035979800000000, 0.0043102600000000 ] - [ 0.0137331800000000, 0.0089634100000000, -0.0718005500000000 ] - [ -0.0083801300000000, -0.0027481100000000, -0.0010132800000000 ] - [ 0.0085881000000000, 0.0030302200000000, 0.0001572900000000 ] - [ 0.0087332500000000, 0.0022367300000000, -0.0002790500000000 ] - [ 0.0110721600000000, -0.0015371500000000, 0.0088862300000000 ] - [ 0.0084539100000000, -0.0027829100000000, 0.0009522200000000 ] - [ -0.0094586700000000, -0.0026140400000000, 0.0046597400000000 ] - [ -0.0078815700000000, 0.0080313300000000, 0.0047773200000000 ] - [ 0.0084725800000000, 0.0025360700000000, 0.0005063900000000 ] - [ 0.0085437300000000, 0.0027381700000000, 0.0008393800000000 ] - [ 0.0071198100000000, -0.0025910100000000, -0.0019915600000000 ] - [ 0.0082181200000000, -0.0028183700000000, -0.0009976800000000 ] - [ -0.0084756600000000, 0.0027755500000000, -0.0008514200000000 ] - [ -0.0088752800000000, 0.0024743100000000, -0.0003971600000000 ] - [ -0.0086496100000000, -0.0025322600000000, 0.0009782500000000 ] - [ -0.0084170700000000, -0.0027150400000000, 0.0009516200000000 ] - [ 0.0001019500000000, 0.0032710100000000, -0.0033753000000000 ] - [ 0.0000622400000000, 0.0030026900000000, -0.0033636000000000 ] - [ -0.0003537200000000, -0.0033223900000000, -0.0035610900000000 ] - [ -0.0032408900000000, -0.0023736600000000, 0.0001719400000000 ] - [ 0.0002874100000000, 0.0026378700000000, 0.0021529400000000 ] - [ -0.0000871800000000, 0.0031360300000000, 0.0032222600000000 ] - [ 0.0001344200000000, -0.0032586300000000, 0.0049392400000000 ] - [ 0.0000607300000000, -0.0032417100000000, 0.0034838100000000 ] - [ -0.0084078100000000, -0.0027014300000000, -0.0010483600000000 ] - [ -0.0085363600000000, -0.0026894700000000, -0.0010488300000000 ] - [ 0.0082603200000000, 0.0030656500000000, -0.0005216900000000 ] - [ 0.0085021700000000, 0.0025795600000000, -0.0008451000000000 ] - [ 0.0082311100000000, -0.0024701000000000, 0.0011277300000000 ] - [ 0.0081680700000000, -0.0030030200000000, 0.0011281900000000 ] - [ -0.0088935300000000, 0.0026643400000000, 0.0004690000000000 ] - [ -0.0085791700000000, 0.0025540000000000, 0.0008652400000000 ] - [ 0.0014662400000000, -0.0026025400000000, 0.0093937600000000 ] - [ 0.0080759700000000, 0.0027168600000000, -0.0001868200000000 ] - [ 0.0091793700000000, 0.0004534500000000, -0.0040796000000000 ] - [ 0.0094994300000000, -0.0052111700000000, -0.0040929000000000 ] - [ -0.0086812400000000, 0.0030803600000000, -0.0001220200000000 ] - [ -0.0085997300000000, 0.0024499300000000, -0.0009848000000000 ] - [ -0.0079365100000000, -0.0027121200000000, 0.0008292300000000 ] - [ -0.0074897300000000, -0.0027883700000000, 0.0008292000000000 ] - [ -0.0000617100000000, -0.0018358900000000, -0.0000614400000000 ] - [ -0.0000579000000000, -0.0017963500000000, -0.0000434900000000 ] - [ -0.0000595300000000, 0.0014480300000000, -0.0012924100000000 ] - [ -0.0081039600000000, -0.0042422900000000, 0.0004492700000000 ] - [ -0.0001212400000000, -0.0016175300000000, 0.0011564700000000 ] - [ -0.0002515900000000, -0.0013524600000000, 0.0010949600000000 ] - [ -0.0006744500000000, 0.0016526200000000, 0.0021214600000000 ] - [ -0.0000022000000000, 0.0016141100000000, 0.0011867900000000 ] - [ -0.0000739800000000, 0.0016111200000000, -0.0000009300000000 ] - [ 0.0013976300000000, -0.0055159800000000, 0.0044583500000000 ] - [ -0.0000152700000000, -0.0021332500000000, -0.0008541000000000 ] - [ 0.0004567000000000, -0.0014587900000000, -0.0003813700000000 ] - [ 0.0000690000000000, 0.0017623900000000, 0.0000306700000000 ] - [ 0.0003597400000000, 0.0019131800000000, -0.0000630100000000 ] - [ 0.0000104900000000, -0.0015434700000000, -0.0017964700000000 ] - [ 0.0000071500000000, -0.0013640500000000, -0.0012192700000000 ] - [ -0.0003707500000000, -0.0014907400000000, 0.0000913500000000 ] - [ 0.0004671500000000, -0.0022104100000000, -0.0004025000000000 ] - [ 0.0001421900000000, 0.0015786500000000, -0.0010832200000000 ] - [ -0.0000373800000000, 0.0015653200000000, -0.0013231100000000 ] - [ 0.0009864000000000, -0.0007800500000000, 0.0005630200000000 ] - [ 0.0000221000000000, -0.0017859200000000, 0.0011286000000000 ] - [ 0.0000003300000000, 0.0014874600000000, 0.0012103200000000 ] - [ -0.0003582000000000, 0.0018115100000000, 0.0014635400000000 ] - [ 0.0001720300000000, 0.0017344900000000, 0.0000218500000000 ] - [ 0.0000252200000000, 0.0018738300000000, 0.0000209000000000 ] - [ 0.0001662400000000, -0.0017949600000000, -0.0001333700000000 ] - [ 0.0000165200000000, -0.0018235800000000, -0.0000536500000000 ] - [ 0.0052958000000000, 0.0155039400000000, 0.0141070700000000 ] - [ -0.0000421300000000, 0.0020895400000000, -0.0000181000000000 ] - [ 0.0000151200000000, -0.0015933200000000, -0.0018414500000000 ] - [ 0.0000295600000000, -0.0014611600000000, -0.0012626300000000 ] - [ 0.0080614900000000, 0.0016620500000000, -0.0023078900000000 ] - [ 0.0083550300000000, -0.0000400000000000, -0.0003592000000000 ] - [ -0.0239552900000000, 0.0081070100000000, 0.0121642100000000 ] - [ -0.0071940200000000, -0.0001388600000000, 0.0014276000000000 ] - [ -0.0062159300000000, 0.0008752600000000, -0.0015138000000000 ] - [ -0.0086172300000000, -0.0000979900000000, -0.0003231500000000 ] - [ 0.0087522900000000, 0.0005707900000000, 0.0014121900000000 ] - [ 0.0085240800000000, 0.0001971700000000, 0.0002571700000000 ] - [ 0.0087674200000000, 0.0000425100000000, -0.0003236100000000 ] - [ 0.0082763100000000, 0.0000812900000000, -0.0002212600000000 ] - [ -0.0083017600000000, 0.0002831100000000, 0.0021509600000000 ] - [ -0.0078324600000000, 0.0002107300000000, 0.0006380100000000 ] - [ -0.0089523000000000, -0.0026707300000000, -0.0025186600000000 ] - [ -0.0084604400000000, 0.0003868700000000, -0.0003032700000000 ] - [ 0.0074090100000000, -0.0164933100000000, 0.0132132300000000 ] - [ 0.0087669600000000, -0.0004157500000000, 0.0027026700000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0021623800000000, 0.0036132800000000, -0.0088855800000000 ] - [ -0.0000669600000000, 0.0032016400000000, -0.0034227900000000 ] - [ -0.0030456800000000, -0.0023229100000000, -0.0060548800000000 ] - [ -0.0002466500000000, -0.0030517900000000, -0.0028708700000000 ] - [ 0.0009909600000000, 0.0024066900000000, 0.0058384500000000 ] - [ 0.0009544400000000, 0.0039845300000000, 0.0041818600000000 ] - [ -0.0001780200000000, -0.0030030500000000, 0.0029396000000000 ] - [ 0.0001973700000000, -0.0027386400000000, 0.0024183000000000 ] - [ -0.0313982400000000, -0.0148805800000000, 0.0696590400000000 ] - [ -0.0084979000000000, -0.0026053600000000, -0.0008018200000000 ] - [ 0.0082883200000000, 0.0023251100000000, -0.0019753400000000 ] - [ 0.0081457400000000, 0.0031165300000000, -0.0015373800000000 ] - [ 0.0058357900000000, -0.0038086900000000, -0.0070073000000000 ] - [ 0.0084241000000000, -0.0025686400000000, 0.0008623300000000 ] - [ -0.0074098500000000, 0.0079462800000000, -0.0028568700000000 ] - [ -0.0090012300000000, -0.0027318800000000, -0.0030101600000000 ] - [ 0.0084045700000000, 0.0028183200000000, 0.0013111000000000 ] - [ 0.0083318200000000, 0.0026147900000000, 0.0009757800000000 ] - [ 0.0097654400000000, -0.0027627700000000, 0.0001747400000000 ] - [ 0.0086608800000000, -0.0025333500000000, -0.0008167300000000 ] - [ -0.0084021700000000, 0.0025764800000000, -0.0009658300000000 ] - [ -0.0080036000000000, 0.0028749400000000, -0.0014168900000000 ] - [ -0.0082288600000000, -0.0028190300000000, 0.0008356700000000 ] - [ -0.0084615900000000, -0.0026359900000000, 0.0008628600000000 ] - [ -0.0001057000000000, 0.0030654600000000, -0.0033610500000000 ] - [ -0.0000614600000000, 0.0033337800000000, -0.0033653800000000 ] - [ 0.0003557100000000, -0.0030095800000000, -0.0031616700000000 ] - [ 0.0032038400000000, -0.0039459600000000, -0.0068968400000000 ] - [ -0.0002950300000000, 0.0037003600000000, 0.0045751700000000 ] - [ 0.0000845500000000, 0.0031976800000000, 0.0035056900000000 ] - [ -0.0001319300000000, -0.0030746100000000, 0.0017785300000000 ] - [ -0.0000610200000000, -0.0030938900000000, 0.0032442400000000 ] - [ -0.0084692500000000, -0.0026504500000000, -0.0007668000000000 ] - [ -0.0083440100000000, -0.0026608900000000, -0.0007672600000000 ] - [ 0.0086167100000000, 0.0022880300000000, -0.0012935300000000 ] - [ 0.0083756500000000, 0.0027717900000000, -0.0009702700000000 ] - [ 0.0086473500000000, -0.0028811100000000, 0.0006860600000000 ] - [ 0.0087082100000000, -0.0023506200000000, 0.0006864200000000 ] - [ -0.0079815700000000, 0.0026858500000000, 0.0013475200000000 ] - [ -0.0082986700000000, 0.0027990900000000, 0.0009496600000000 ] - [ 0.0155095400000000, 0.0080266000000000, -0.0076659600000000 ] - [ 0.0088027500000000, 0.0026244400000000, 0.0020072000000000 ] - [ 0.0076875100000000, -0.0058411000000000, 0.0022813400000000 ] - [ 0.0073788700000000, -0.0001568600000000, 0.0022681900000000 ] - [ -0.0081969600000000, 0.0022739900000000, -0.0016924900000000 ] - [ -0.0082770000000000, 0.0029014100000000, -0.0008309000000000 ] - [ -0.0089355700000000, -0.0026294400000000, 0.0009927400000000 ] - [ -0.0093815100000000, -0.0025720300000000, 0.0009927600000000 ] - [ 0.0000609100000000, -0.0018075100000000, 0.0000614200000000 ] - [ 0.0000579100000000, -0.0018483600000000, 0.0000433800000000 ] - [ 0.0000591800000000, 0.0015409700000000, -0.0011098400000000 ] - [ 0.0079720900000000, 0.0071384900000000, -0.0028702600000000 ] - [ 0.0001144700000000, -0.0013713800000000, 0.0012377300000000 ] - [ 0.0002505900000000, -0.0016336600000000, 0.0013076300000000 ] - [ 0.0006744700000000, 0.0013360500000000, 0.0002854800000000 ] - [ 0.0000023700000000, 0.0013746800000000, 0.0012173300000000 ] - [ 0.0000741800000000, 0.0020346000000000, 0.0000025300000000 ] - [ -0.0013029500000000, 0.0089072900000000, -0.0043524800000000 ] - [ 0.0000172300000000, -0.0015097900000000, 0.0008607700000000 ] - [ -0.0004557500000000, -0.0021862600000000, 0.0003825100000000 ] - [ -0.0000687400000000, 0.0018821700000000, -0.0000299100000000 ] - [ -0.0003618600000000, 0.0017309500000000, 0.0000637100000000 ] - [ -0.0000108100000000, -0.0014450000000000, -0.0006069800000000 ] - [ -0.0000067000000000, -0.0016231500000000, -0.0011852900000000 ] - [ 0.0003739100000000, -0.0021539200000000, -0.0000955300000000 ] - [ -0.0004698400000000, -0.0014335400000000, 0.0004043000000000 ] - [ -0.0001379000000000, 0.0014093900000000, -0.0013201800000000 ] - [ 0.0000375400000000, 0.0014213300000000, -0.0010814100000000 ] - [ -0.0009969300000000, -0.0022155900000000, 0.0018451800000000 ] - [ -0.0000230400000000, -0.0012019200000000, 0.0012743900000000 ] - [ -0.0000002400000000, 0.0015012500000000, 0.0011938300000000 ] - [ 0.0003621400000000, 0.0011773300000000, 0.0009434300000000 ] - [ -0.0001704800000000, 0.0019095300000000, -0.0000208400000000 ] - [ -0.0000250400000000, 0.0017703200000000, -0.0000207300000000 ] - [ -0.0001673200000000, -0.0018505500000000, 0.0001335900000000 ] - [ -0.0000170400000000, -0.0018208300000000, 0.0000529900000000 ] - [ -0.0050047300000000, -0.0112597300000000, -0.0136471300000000 ] - [ 0.0000424800000000, 0.0015560200000000, 0.0000181400000000 ] - [ -0.0000153400000000, -0.0013920300000000, -0.0005605100000000 ] - [ -0.0000301100000000, -0.0015278300000000, -0.0011413700000000 ] - [ 0.0084470100000000, -0.0016611000000000, 0.0023136300000000 ] - [ 0.0081673100000000, 0.0000382700000000, 0.0003651000000000 ] - [ 0.0079281900000000, -0.0084022900000000, -0.0122330200000000 ] - [ -0.0093219500000000, 0.0001538400000000, -0.0014413900000000 ] - [ -0.0102919200000000, -0.0008711600000000, 0.0015049400000000 ] - [ -0.0079016900000000, 0.0000973300000000, 0.0003241700000000 ] - [ 0.0077825100000000, -0.0005653300000000, -0.0014077100000000 ] - [ 0.0079925400000000, -0.0001991800000000, -0.0002611500000000 ] - [ 0.0077503100000000, -0.0000458900000000, 0.0003323100000000 ] - [ 0.0082438100000000, -0.0000804700000000, 0.0002227100000000 ] - [ -0.0082216900000000, -0.0002863900000000, -0.0021573800000000 ] - [ -0.0086828200000000, -0.0002111800000000, -0.0006371200000000 ] - [ -0.0075571400000000, 0.0026688300000000, 0.0025463400000000 ] - [ -0.0080613300000000, -0.0003854500000000, 0.0003042800000000 ] - [ 0.0090833300000000, 0.0171007700000000, -0.0133404000000000 ] - [ 0.0077568600000000, 0.0004221900000000, -0.0027018200000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001723500000000, 0.0033131200000000, -0.0033708000000000 ] - [ -0.0000415600000000, 0.0031390300000000, -0.0034283600000000 ] - [ 0.0007213500000000, -0.0023849000000000, -0.0033445300000000 ] - [ -0.0001446700000000, -0.0029786100000000, -0.0033330400000000 ] - [ 0.0002076000000000, 0.0031982400000000, 0.0035682600000000 ] - [ -0.0001748300000000, 0.0031644600000000, 0.0029980400000000 ] - [ -0.0000170800000000, -0.0031640500000000, 0.0034035000000000 ] - [ 0.0015725100000000, -0.0045463900000000, 0.0024115100000000 ] - [ -0.0084945800000000, -0.0026005800000000, -0.0009691800000000 ] - [ -0.0085239300000000, -0.0025551700000000, -0.0009662300000000 ] - [ 0.0083205000000000, 0.0027623700000000, -0.0009753400000000 ] - [ 0.0077786700000000, 0.0022678800000000, -0.0012654300000000 ] - [ 0.0083841100000000, -0.0027527000000000, 0.0008466600000000 ] - [ 0.0083552900000000, -0.0027950300000000, 0.0008504700000000 ] - [ -0.0085600600000000, 0.0025872700000000, 0.0008374900000000 ] - [ -0.0091071900000000, 0.0030915500000000, 0.0005437300000000 ] - [ 0.0085745100000000, 0.0027931200000000, 0.0008340300000000 ] - [ 0.0075958200000000, 0.0015432000000000, 0.0022615800000000 ] - [ 0.0087507300000000, -0.0030339500000000, -0.0008893300000000 ] - [ 0.0086253000000000, -0.0018799000000000, -0.0013641900000000 ] - [ -0.0083044700000000, 0.0025613500000000, -0.0009822900000000 ] - [ -0.0092414500000000, 0.0037979800000000, 0.0004379400000000 ] - [ -0.0081290900000000, -0.0023196100000000, 0.0009217600000000 ] - [ -0.0082555200000000, -0.0034678000000000, 0.0004516600000000 ] - [ 0.0002048100000000, 0.0031382500000000, -0.0031623400000000 ] - [ -0.0001756300000000, 0.0031719400000000, -0.0037328400000000 ] - [ -0.0000184200000000, -0.0031684400000000, -0.0033239600000000 ] - [ 0.0015465800000000, -0.0018167000000000, -0.0042885000000000 ] - [ 0.0001699600000000, 0.0030217000000000, 0.0033542200000000 ] - [ -0.0000434500000000, 0.0031983700000000, 0.0032993300000000 ] - [ 0.0007090700000000, -0.0039341400000000, 0.0033693000000000 ] - [ -0.0001460800000000, -0.0033560400000000, 0.0033943200000000 ] - [ -0.0083303400000000, -0.0020368900000000, -0.0004367400000000 ] - [ -0.0080386000000000, -0.0026420400000000, -0.0012845800000000 ] - [ 0.0118985600000000, 0.0078073300000000, -0.0061068100000000 ] - [ 0.0086428000000000, 0.0024263700000000, -0.0008650000000000 ] - [ 0.0085489000000000, -0.0033053500000000, 0.0013736400000000 ] - [ 0.0088357500000000, -0.0027059400000000, 0.0005397700000000 ] - [ -0.0049224900000000, -0.0023695400000000, -0.0041903500000000 ] - [ -0.0082350900000000, 0.0029279200000000, 0.0009496600000000 ] - [ 0.0082574300000000, 0.0026377600000000, 0.0010783200000000 ] - [ 0.0082939200000000, 0.0027591000000000, 0.0009328100000000 ] - [ 0.0083994900000000, -0.0026848700000000, -0.0009247300000000 ] - [ 0.0082876200000000, -0.0026430800000000, -0.0010750100000000 ] - [ -0.0086235900000000, 0.0027116700000000, -0.0007356800000000 ] - [ -0.0085837000000000, 0.0025949900000000, -0.0008824400000000 ] - [ -0.0084780700000000, -0.0026668500000000, 0.0008909500000000 ] - [ -0.0085891300000000, -0.0027080300000000, 0.0007415600000000 ] - [ -0.0193999100000000, -0.0018272800000000, 0.0079884600000000 ] - [ 0.0000066700000000, -0.0018227100000000, -0.0000282900000000 ] - [ 0.0000125500000000, 0.0014798500000000, -0.0011778000000000 ] - [ -0.0000391400000000, 0.0015400000000000, -0.0011453500000000 ] - [ 0.0068795300000000, -0.0023149800000000, 0.0029322300000000 ] - [ -0.0000192300000000, -0.0015374000000000, 0.0011917000000000 ] - [ 0.0000481700000000, 0.0014787000000000, 0.0011472100000000 ] - [ -0.0000426100000000, 0.0015568900000000, 0.0013070500000000 ] - [ 0.0000321900000000, 0.0018217900000000, 0.0000252100000000 ] - [ -0.0000143700000000, 0.0018219900000000, 0.0000512600000000 ] - [ 0.0005935500000000, -0.0018208200000000, -0.0002256300000000 ] - [ 0.0000175900000000, -0.0018223800000000, -0.0000081600000000 ] - [ -0.0002214000000000, 0.0018204200000000, -0.0000617800000000 ] - [ 0.0000397000000000, 0.0018228800000000, 0.0000812000000000 ] - [ 0.0006842300000000, -0.0007226500000000, -0.0014499400000000 ] - [ 0.0000192900000000, -0.0017108200000000, -0.0012371500000000 ] - [ 0.0001179100000000, -0.0018213200000000, 0.0000028200000000 ] - [ 0.0001178900000000, -0.0018231900000000, -0.0001014000000000 ] - [ 0.0000493000000000, 0.0015098800000000, -0.0012574000000000 ] - [ -0.0000429300000000, 0.0014300400000000, -0.0010970600000000 ] - [ 0.0006835700000000, -0.0022594500000000, 0.0009638500000000 ] - [ 0.0000184500000000, -0.0012790000000000, 0.0011665100000000 ] - [ 0.0000131100000000, 0.0015078500000000, 0.0012265400000000 ] - [ -0.0000387600000000, 0.0014489700000000, 0.0012596500000000 ] - [ -0.0001154300000000, 0.0018224200000000, -0.0000789700000000 ] - [ 0.0000460300000000, 0.0018210700000000, -0.0000126600000000 ] - [ -0.0005147500000000, -0.0018288800000000, 0.0006638800000000 ] - [ -0.0005147000000000, -0.0018157400000000, -0.0006908700000000 ] - [ -0.0000008700000000, 0.0018225000000000, 0.0000044200000000 ] - [ -0.0000332000000000, 0.0018217500000000, 0.0000107900000000 ] - [ 0.0064814400000000, -0.0007527100000000, 0.0003970100000000 ] - [ -0.0000208900000000, -0.0014533900000000, -0.0012125800000000 ] - [ 0.0090692700000000, -0.0000459900000000, -0.0002051600000000 ] - [ 0.0084079300000000, 0.0000172300000000, -0.0000236100000000 ] - [ -0.0074418000000000, 0.0000545000000000, -0.0002022600000000 ] - [ -0.0081082900000000, -0.0000189900000000, -0.0000233100000000 ] - [ -0.0098459400000000, -0.0027706900000000, -0.0007725500000000 ] - [ -0.0084435500000000, 0.0003134100000000, 0.0000815100000000 ] - [ 0.0066626600000000, 0.0027863300000000, -0.0007385200000000 ] - [ 0.0080777600000000, -0.0003222700000000, 0.0000865700000000 ] - [ 0.0058092700000000, 0.0005110200000000, -0.0004297700000000 ] - [ 0.0084226200000000, 0.0022820800000000, 0.0010186700000000 ] - [ -0.0107344400000000, -0.0005264800000000, -0.0004529200000000 ] - [ -0.0080916900000000, -0.0022877100000000, 0.0010190200000000 ] - [ -0.0075440400000000, -0.0000791200000000, 0.0004622300000000 ] - [ -0.0081255700000000, 0.0005317000000000, 0.0003395700000000 ] - [ 0.0089755900000000, 0.0000820900000000, 0.0004680600000000 ] - [ 0.0083926800000000, -0.0005397700000000, 0.0003449300000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000620200000000, 0.0035437600000000, -0.0035450300000000 ] - [ -0.0000318300000000, 0.0030060900000000, -0.0032789500000000 ] - [ -0.0000898300000000, -0.0029404800000000, -0.0034896900000000 ] - [ 0.0003005600000000, -0.0033626100000000, -0.0033370100000000 ] - [ -0.0003481500000000, 0.0030847300000000, 0.0030377200000000 ] - [ 0.0003100600000000, 0.0030141200000000, 0.0036652700000000 ] - [ -0.0001259400000000, -0.0034039100000000, 0.0034977600000000 ] - [ -0.0002393600000000, -0.0024398000000000, 0.0032177700000000 ] - [ -0.0086126900000000, -0.0024148400000000, -0.0009219600000000 ] - [ -0.0083477500000000, -0.0028889800000000, -0.0008814700000000 ] - [ 0.0085418400000000, 0.0024763900000000, -0.0008466800000000 ] - [ 0.0083148500000000, 0.0027494300000000, -0.0009982300000000 ] - [ 0.0086126900000000, -0.0024148400000000, 0.0009219600000000 ] - [ 0.0083477500000000, -0.0028889800000000, 0.0008814700000000 ] - [ -0.0085418400000000, 0.0024763900000000, 0.0008466800000000 ] - [ -0.0083148500000000, 0.0027494300000000, 0.0009982300000000 ] - [ 0.0086115200000000, 0.0021605200000000, 0.0006921600000000 ] - [ 0.0041102600000000, 0.0056799600000000, -0.0061697000000000 ] - [ 0.0083956600000000, -0.0019453700000000, -0.0012185300000000 ] - [ 0.0082334300000000, -0.0036517400000000, -0.0005444400000000 ] - [ -0.0086115200000000, 0.0021605200000000, -0.0006921600000000 ] - [ -0.0041102600000000, 0.0056799600000000, 0.0061697000000000 ] - [ -0.0083956600000000, -0.0019453700000000, 0.0012185300000000 ] - [ -0.0082334300000000, -0.0036517400000000, 0.0005444400000000 ] - [ 0.0003481500000000, 0.0030847300000000, -0.0030377200000000 ] - [ -0.0003100600000000, 0.0030141200000000, -0.0036652700000000 ] - [ 0.0001259400000000, -0.0034039100000000, -0.0034977600000000 ] - [ 0.0002393600000000, -0.0024398000000000, -0.0032177700000000 ] - [ -0.0000620200000000, 0.0035437600000000, 0.0035450300000000 ] - [ 0.0000318300000000, 0.0030060900000000, 0.0032789500000000 ] - [ 0.0000898300000000, -0.0029404800000000, 0.0034896900000000 ] - [ -0.0003005600000000, -0.0033626100000000, 0.0033370100000000 ] - [ -0.0083094100000000, -0.0034722300000000, -0.0012935800000000 ] - [ -0.0088597200000000, -0.0026824000000000, -0.0005758400000000 ] - [ 0.0173326500000000, 0.0113258700000000, -0.0145369000000000 ] - [ 0.0085502400000000, 0.0019845000000000, -0.0011704600000000 ] - [ 0.0083094100000000, -0.0034722300000000, 0.0012935800000000 ] - [ 0.0088597200000000, -0.0026824000000000, 0.0005758400000000 ] - [ -0.0173326500000000, 0.0113258700000000, 0.0145369000000000 ] - [ -0.0085502400000000, 0.0019845000000000, 0.0011704600000000 ] - [ 0.0083796000000000, 0.0029676600000000, 0.0008197500000000 ] - [ 0.0085068300000000, 0.0024796700000000, 0.0009588100000000 ] - [ 0.0083480100000000, -0.0027582500000000, -0.0009083700000000 ] - [ 0.0084816700000000, -0.0026353100000000, -0.0008789000000000 ] - [ -0.0083796000000000, 0.0029676600000000, -0.0008197500000000 ] - [ -0.0085068300000000, 0.0024796700000000, -0.0009588100000000 ] - [ -0.0083480100000000, -0.0027582500000000, 0.0009083700000000 ] - [ -0.0084816700000000, -0.0026353100000000, 0.0008789000000000 ] - [ 0.0000000000000000, -0.0298558600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0013825300000000, 0.0000000000000000 ] - [ -0.0000077100000000, 0.0015895400000000, -0.0012074000000000 ] - [ 0.0000502200000000, 0.0013805600000000, -0.0012252600000000 ] - [ -0.0022879400000000, -0.0026177500000000, 0.0010659800000000 ] - [ 0.0000626500000000, -0.0013288300000000, 0.0012051800000000 ] - [ 0.0000635300000000, 0.0014265600000000, 0.0011872300000000 ] - [ -0.0000587800000000, 0.0015967800000000, 0.0011662800000000 ] - [ 0.0000000000000000, 0.0018865700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0017677400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0019610500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0017137700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0021270700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0016691100000000, 0.0000000000000000 ] - [ 0.0010756300000000, -0.0007414200000000, -0.0011690400000000 ] - [ -0.0000997400000000, -0.0013993700000000, -0.0011648200000000 ] - [ 0.0000000000000000, -0.0017941000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0017940200000000, 0.0000000000000000 ] - [ -0.0000635300000000, 0.0014265600000000, -0.0011872300000000 ] - [ 0.0000587800000000, 0.0015967800000000, -0.0011662800000000 ] - [ -0.0010756300000000, -0.0007414200000000, 0.0011690400000000 ] - [ 0.0000997400000000, -0.0013993700000000, 0.0011648200000000 ] - [ 0.0000077100000000, 0.0015895400000000, 0.0012074000000000 ] - [ -0.0000502200000000, 0.0013805600000000, 0.0012252600000000 ] - [ 0.0000000000000000, 0.0017116300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0019597700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0012130800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0011588500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0017691600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0018754000000000, 0.0000000000000000 ] - [ 0.0022879400000000, -0.0026177500000000, -0.0010659800000000 ] - [ -0.0000626500000000, -0.0013288300000000, -0.0012051800000000 ] - [ 0.0079120000000000, -0.0007160000000000, 0.0003688200000000 ] - [ 0.0084178600000000, 0.0003589300000000, -0.0000898500000000 ] - [ -0.0079120000000000, -0.0007160000000000, -0.0003688200000000 ] - [ -0.0084178600000000, 0.0003589300000000, 0.0000898500000000 ] - [ -0.0098344900000000, -0.0039155900000000, 0.0020256700000000 ] - [ -0.0081104700000000, 0.0012716500000000, 0.0001041000000000 ] - [ 0.0098344900000000, -0.0039155900000000, -0.0020256700000000 ] - [ 0.0081104700000000, 0.0012716500000000, -0.0001041000000000 ] - [ 0.0061081100000000, 0.0012879900000000, -0.0026351800000000 ] - [ 0.0080333100000000, 0.0023809000000000, 0.0012358400000000 ] - [ -0.0061081100000000, 0.0012879900000000, 0.0026351800000000 ] - [ -0.0080333100000000, 0.0023809000000000, -0.0012358400000000 ] - [ -0.0088772400000000, 0.0000661700000000, -0.0003773300000000 ] - [ -0.0079958300000000, 0.0001645700000000, 0.0001389400000000 ] - [ 0.0088772400000000, 0.0000661700000000, 0.0003773300000000 ] - [ 0.0079958300000000, 0.0001645700000000, -0.0001389400000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000605700000000, 0.0027935600000000, -0.0031812600000000 ] - [ 0.0000319600000000, 0.0033309000000000, -0.0034476200000000 ] - [ 0.0001077100000000, -0.0033951200000000, -0.0032318200000000 ] - [ -0.0003006400000000, -0.0029738200000000, -0.0033922700000000 ] - [ 0.0003499700000000, 0.0032521100000000, 0.0036912800000000 ] - [ -0.0003091200000000, 0.0033227900000000, 0.0030629500000000 ] - [ 0.0001256600000000, -0.0029305700000000, 0.0032306300000000 ] - [ 0.0002341600000000, -0.0038929100000000, 0.0035180500000000 ] - [ -0.0082660100000000, -0.0029390100000000, -0.0008942500000000 ] - [ -0.0085317000000000, -0.0024636100000000, -0.0009345600000000 ] - [ 0.0083384900000000, 0.0028762900000000, -0.0009672000000000 ] - [ 0.0085646000000000, 0.0026009400000000, -0.0008165900000000 ] - [ 0.0082660100000000, -0.0029390100000000, 0.0008942500000000 ] - [ 0.0085317000000000, -0.0024636100000000, 0.0009345600000000 ] - [ -0.0083384900000000, 0.0028762900000000, 0.0009672000000000 ] - [ -0.0085646000000000, 0.0026009400000000, 0.0008165900000000 ] - [ 0.0082692000000000, 0.0031907900000000, 0.0011164300000000 ] - [ 0.0128782700000000, -0.0004479000000000, 0.0082539600000000 ] - [ 0.0084844600000000, -0.0034057700000000, -0.0005957200000000 ] - [ 0.0086453600000000, -0.0017031500000000, -0.0012726500000000 ] - [ -0.0082692000000000, 0.0031907900000000, -0.0011164300000000 ] - [ -0.0128782700000000, -0.0004479000000000, -0.0082539600000000 ] - [ -0.0084844600000000, -0.0034057700000000, 0.0005957200000000 ] - [ -0.0086453600000000, -0.0017031500000000, 0.0012726500000000 ] - [ -0.0003499700000000, 0.0032521100000000, -0.0036912800000000 ] - [ 0.0003091200000000, 0.0033227900000000, -0.0030629500000000 ] - [ -0.0001256600000000, -0.0029305700000000, -0.0032306300000000 ] - [ -0.0002341600000000, -0.0038929100000000, -0.0035180500000000 ] - [ 0.0000605700000000, 0.0027935600000000, 0.0031812600000000 ] - [ -0.0000319600000000, 0.0033309000000000, 0.0034476200000000 ] - [ -0.0001077100000000, -0.0033951200000000, 0.0032318200000000 ] - [ 0.0003006400000000, -0.0029738200000000, 0.0033922700000000 ] - [ -0.0085699000000000, -0.0018698700000000, -0.0005176700000000 ] - [ -0.0080213400000000, -0.0026735700000000, -0.0012399100000000 ] - [ -0.0002262700000000, -0.0057880500000000, 0.0122233100000000 ] - [ 0.0083284400000000, 0.0033766700000000, -0.0006376800000000 ] - [ 0.0085699000000000, -0.0018698700000000, 0.0005176700000000 ] - [ 0.0080213400000000, -0.0026735700000000, 0.0012399100000000 ] - [ 0.0002262700000000, -0.0057880500000000, -0.0122233100000000 ] - [ -0.0083284400000000, 0.0033766700000000, 0.0006376800000000 ] - [ 0.0085002600000000, 0.0023828100000000, 0.0009956500000000 ] - [ 0.0083724700000000, 0.0028736200000000, 0.0008560800000000 ] - [ 0.0085317700000000, -0.0025934100000000, -0.0009063400000000 ] - [ 0.0083977200000000, -0.0027160900000000, -0.0009356600000000 ] - [ -0.0085002600000000, 0.0023828100000000, -0.0009956500000000 ] - [ -0.0083724700000000, 0.0028736200000000, -0.0008560800000000 ] - [ -0.0085317700000000, -0.0025934100000000, 0.0009063400000000 ] - [ -0.0083977200000000, -0.0027160900000000, 0.0009356600000000 ] - [ 0.0000000000000000, 0.0260186100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0022615000000000, 0.0000000000000000 ] - [ 0.0000077300000000, 0.0013990800000000, -0.0011969500000000 ] - [ -0.0000506000000000, 0.0016087100000000, -0.0011794800000000 ] - [ 0.0022932300000000, -0.0003586500000000, 0.0013354900000000 ] - [ -0.0000604000000000, -0.0016617000000000, 0.0011987000000000 ] - [ -0.0000641200000000, 0.0015619400000000, 0.0012179100000000 ] - [ 0.0000580800000000, 0.0013917000000000, 0.0012381100000000 ] - [ 0.0000000000000000, 0.0017572200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0018766900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0016830100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0019313300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0015144400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0019761900000000, 0.0000000000000000 ] - [ -0.0010699200000000, -0.0022426500000000, -0.0012437500000000 ] - [ 0.0001017900000000, -0.0015901800000000, -0.0012393000000000 ] - [ 0.0000000000000000, -0.0018498100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0018496500000000, 0.0000000000000000 ] - [ 0.0000641200000000, 0.0015619400000000, -0.0012179100000000 ] - [ -0.0000580800000000, 0.0013917000000000, -0.0012381100000000 ] - [ 0.0010699200000000, -0.0022426500000000, 0.0012437500000000 ] - [ -0.0001017900000000, -0.0015901800000000, 0.0012393000000000 ] - [ -0.0000077300000000, 0.0013990800000000, 0.0011969500000000 ] - [ 0.0000506000000000, 0.0016087100000000, 0.0011794800000000 ] - [ 0.0000000000000000, 0.0019324800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0016852500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0048183400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0048729400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0018754900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0017685200000000, 0.0000000000000000 ] - [ -0.0022932300000000, -0.0003586500000000, -0.0013354900000000 ] - [ 0.0000604000000000, -0.0016617000000000, -0.0011987000000000 ] - [ 0.0086098700000000, 0.0007211700000000, -0.0003731800000000 ] - [ 0.0081006700000000, -0.0003603300000000, 0.0000890400000000 ] - [ -0.0086098700000000, 0.0007211700000000, 0.0003731800000000 ] - [ -0.0081006700000000, -0.0003603300000000, -0.0000890400000000 ] - [ -0.0066889500000000, 0.0039321000000000, -0.0020716400000000 ] - [ -0.0084077800000000, -0.0012770700000000, -0.0001150700000000 ] - [ 0.0066889500000000, 0.0039321000000000, 0.0020716400000000 ] - [ 0.0084077800000000, -0.0012770700000000, 0.0001150700000000 ] - [ 0.0104375400000000, -0.0013002500000000, 0.0026402400000000 ] - [ 0.0084842000000000, -0.0023699900000000, -0.0012363600000000 ] - [ -0.0104375400000000, -0.0013002500000000, -0.0026402400000000 ] - [ -0.0084842000000000, -0.0023699900000000, 0.0012363600000000 ] - [ -0.0076439200000000, -0.0000669800000000, 0.0003765500000000 ] - [ -0.0085238200000000, -0.0001637400000000, -0.0001408300000000 ] - [ 0.0076439200000000, -0.0000669800000000, -0.0003765500000000 ] - [ 0.0085238200000000, -0.0001637400000000, 0.0001408300000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000863600000000, 0.0033037000000000, -0.0033940200000000 ] - [ 0.0000734100000000, 0.0032070200000000, -0.0034669500000000 ] - [ 0.0002028900000000, -0.0028987500000000, -0.0032661900000000 ] - [ -0.0001649400000000, -0.0030734900000000, -0.0033075000000000 ] - [ -0.0003952200000000, 0.0030270100000000, 0.0031168600000000 ] - [ -0.0002318400000000, 0.0032321300000000, 0.0031425700000000 ] - [ 0.0001000700000000, -0.0031050900000000, 0.0034118700000000 ] - [ -0.0005926700000000, -0.0028418800000000, 0.0036805200000000 ] - [ -0.0084689700000000, -0.0026937100000000, -0.0009704100000000 ] - [ -0.0084747300000000, -0.0026119000000000, -0.0009521900000000 ] - [ 0.0083936600000000, 0.0027725400000000, -0.0008779300000000 ] - [ 0.0082829500000000, 0.0025642600000000, -0.0009719000000000 ] - [ 0.0084095100000000, -0.0026573500000000, 0.0008464100000000 ] - [ 0.0084026000000000, -0.0027375700000000, 0.0008640100000000 ] - [ -0.0084838300000000, 0.0025796400000000, 0.0009375600000000 ] - [ -0.0085951600000000, 0.0027876300000000, 0.0008437800000000 ] - [ 0.0083417100000000, 0.0022643300000000, 0.0009058300000000 ] - [ 0.0125385100000000, -0.0042943200000000, 0.0053725300000000 ] - [ 0.0083061600000000, -0.0027008800000000, -0.0017685400000000 ] - [ 0.0085251700000000, -0.0023006900000000, -0.0012919300000000 ] - [ -0.0085362500000000, 0.0030884400000000, -0.0009106100000000 ] - [ -0.0044455100000000, 0.0093931900000000, 0.0034372500000000 ] - [ -0.0085744100000000, -0.0026488300000000, 0.0000522900000000 ] - [ -0.0083529900000000, -0.0030490400000000, 0.0005269800000000 ] - [ -0.0003944500000000, 0.0033113200000000, -0.0036136700000000 ] - [ -0.0002309300000000, 0.0031030100000000, -0.0035829600000000 ] - [ 0.0000995000000000, -0.0032251400000000, -0.0033127900000000 ] - [ -0.0006040100000000, -0.0034954600000000, -0.0030557700000000 ] - [ 0.0000800500000000, 0.0030374700000000, 0.0033332600000000 ] - [ 0.0000735000000000, 0.0031302100000000, 0.0032606000000000 ] - [ 0.0001923800000000, -0.0034366700000000, 0.0034643800000000 ] - [ -0.0001685400000000, -0.0032634800000000, 0.0034202000000000 ] - [ -0.0083196100000000, -0.0032251200000000, -0.0013105600000000 ] - [ -0.0082910800000000, -0.0028086800000000, -0.0008156200000000 ] - [ -0.0021300500000000, -0.0118603800000000, 0.0127674900000000 ] - [ 0.0086492500000000, 0.0023850300000000, -0.0009259300000000 ] - [ 0.0085570600000000, -0.0021228100000000, 0.0005026600000000 ] - [ 0.0085805300000000, -0.0025506000000000, 0.0010009600000000 ] - [ -0.0193432400000000, 0.0177753400000000, 0.0149856100000000 ] - [ -0.0082263900000000, 0.0029707600000000, 0.0008884700000000 ] - [ 0.0084743200000000, 0.0026809800000000, 0.0009283800000000 ] - [ 0.0084277300000000, 0.0027375300000000, 0.0009287000000000 ] - [ 0.0083332000000000, -0.0027006100000000, -0.0009623500000000 ] - [ 0.0083887700000000, -0.0026191600000000, -0.0010420000000000 ] - [ -0.0084019400000000, 0.0026713100000000, -0.0008867800000000 ] - [ -0.0084493600000000, 0.0026168300000000, -0.0008879200000000 ] - [ -0.0085426500000000, -0.0026498500000000, 0.0008540600000000 ] - [ -0.0084889400000000, -0.0027303000000000, 0.0007741500000000 ] - [ 0.0079904700000000, -0.0021524800000000, -0.0405155600000000 ] - [ -0.0000281300000000, -0.0018219200000000, -0.0001131900000000 ] - [ 0.0000197400000000, 0.0015092900000000, -0.0011384600000000 ] - [ 0.0000652400000000, 0.0014879000000000, -0.0011715000000000 ] - [ 0.0032293600000000, -0.0015652900000000, 0.0008368200000000 ] - [ 0.0000200100000000, -0.0015165600000000, 0.0010975400000000 ] - [ -0.0000569600000000, 0.0015005400000000, 0.0012995900000000 ] - [ -0.0000241100000000, 0.0014939200000000, 0.0013234200000000 ] - [ 0.0000253200000000, 0.0018225300000000, 0.0000542200000000 ] - [ 0.0000511800000000, 0.0018229800000000, 0.0000644700000000 ] - [ 0.0002243200000000, -0.0018212900000000, -0.0001605300000000 ] - [ 0.0000080800000000, -0.0018217200000000, -0.0000532400000000 ] - [ 0.0000619400000000, 0.0018218700000000, 0.0002682500000000 ] - [ -0.0000810700000000, 0.0018222600000000, 0.0003303500000000 ] - [ -0.0005376400000000, -0.0019233600000000, -0.0017704300000000 ] - [ -0.0000202900000000, -0.0014424400000000, -0.0013008200000000 ] - [ -0.0001013500000000, -0.0018209200000000, -0.0000908400000000 ] - [ 0.0000028700000000, -0.0018215700000000, -0.0000908800000000 ] - [ -0.0000572200000000, 0.0014886100000000, -0.0011033300000000 ] - [ -0.0000244000000000, 0.0014953300000000, -0.0010798000000000 ] - [ -0.0005331600000000, -0.0010646600000000, 0.0006356100000000 ] - [ -0.0000200200000000, -0.0015450200000000, 0.0011013600000000 ] - [ 0.0000196400000000, 0.0014798200000000, 0.0012643600000000 ] - [ 0.0000654200000000, 0.0015015700000000, 0.0012295600000000 ] - [ -0.0000790400000000, 0.0018234800000000, 0.0002922300000000 ] - [ -0.0000127100000000, 0.0018223400000000, 0.0001837100000000 ] - [ 0.0006908000000000, -0.0018233300000000, -0.0012768200000000 ] - [ -0.0006640600000000, -0.0018238500000000, -0.0012767900000000 ] - [ -0.0000044800000000, 0.0018228000000000, 0.0000560000000000 ] - [ -0.0000107800000000, 0.0018224600000000, 0.0000443700000000 ] - [ 0.0031890600000000, -0.0014275500000000, -0.0015532800000000 ] - [ 0.0000199000000000, -0.0014701100000000, -0.0013051800000000 ] - [ 0.0083690200000000, -0.0000990400000000, 0.0001969200000000 ] - [ 0.0082360600000000, -0.0000032500000000, 0.0000553700000000 ] - [ -0.0081473600000000, 0.0001054000000000, 0.0002008600000000 ] - [ -0.0082824400000000, 0.0000031400000000, 0.0000536900000000 ] - [ -0.0092443700000000, 0.0010334800000000, 0.0026775500000000 ] - [ -0.0084458300000000, -0.0002248700000000, -0.0000795800000000 ] - [ 0.0072441200000000, -0.0010653400000000, 0.0028353900000000 ] - [ 0.0080746200000000, 0.0002242000000000, -0.0000792800000000 ] - [ 0.0101764800000000, -0.0017131300000000, 0.0014176400000000 ] - [ 0.0078535300000000, 0.0016967300000000, 0.0010045400000000 ] - [ -0.0063534500000000, 0.0017138900000000, 0.0014052500000000 ] - [ -0.0086719700000000, -0.0016864600000000, 0.0010167800000000 ] - [ -0.0078611000000000, -0.0001635700000000, 0.0002188700000000 ] - [ -0.0080842200000000, 0.0002040100000000, 0.0000506200000000 ] - [ 0.0086628100000000, 0.0001668000000000, 0.0002214700000000 ] - [ 0.0084345500000000, -0.0002055100000000, 0.0000497900000000 ]- atom: 51 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000604900000000, 0.0031676800000000, -0.0033637700000000 ] - [ -0.0004615600000000, 0.0031472000000000, -0.0033738500000000 ] - [ 0.0001343800000000, -0.0031670300000000, -0.0033602300000000 ] - [ 0.0004721800000000, -0.0031669000000000, -0.0033675100000000 ] - [ -0.0000862700000000, 0.0032073700000000, 0.0034000100000000 ] - [ 0.0008601500000000, 0.0031691900000000, 0.0033659900000000 ] - [ 0.0001407400000000, -0.0031696300000000, 0.0033643700000000 ] - [ 0.0000938400000000, -0.0031679900000000, 0.0033636000000000 ] - [ -0.0082516500000000, -0.0028950900000000, -0.0009675300000000 ] - [ 0.0036367900000000, 0.0072861300000000, -0.0091215400000000 ] - [ 0.0084925000000000, 0.0026340700000000, -0.0009221600000000 ] - [ 0.0084307400000000, 0.0026155100000000, -0.0009371500000000 ] - [ 0.0084119800000000, -0.0026599000000000, 0.0009086200000000 ] - [ 0.0083976800000000, -0.0027881200000000, 0.0005489000000000 ] - [ -0.0082985400000000, 0.0029379700000000, 0.0010231600000000 ] - [ -0.0085411000000000, 0.0021803900000000, 0.0011589400000000 ] - [ 0.0085808200000000, 0.0024099700000000, 0.0007880000000000 ] - [ 0.0083364200000000, 0.0031710800000000, 0.0006572800000000 ] - [ 0.0086261800000000, -0.0024567700000000, -0.0008486000000000 ] - [ 0.0200199200000000, -0.0121948700000000, 0.0069599200000000 ] - [ -0.0083869400000000, 0.0027151300000000, -0.0008925400000000 ] - [ -0.0084470400000000, 0.0027359800000000, -0.0008779900000000 ] - [ -0.0084662400000000, -0.0026905500000000, 0.0009076900000000 ] - [ -0.0084810500000000, -0.0025626300000000, 0.0012683500000000 ] - [ -0.0000729500000000, 0.0031669900000000, -0.0033636900000000 ] - [ -0.0001786100000000, 0.0031669700000000, -0.0033634200000000 ] - [ -0.0009350500000000, -0.0031683700000000, -0.0033634700000000 ] - [ -0.0001600100000000, -0.0031678400000000, -0.0033635100000000 ] - [ -0.0001581000000000, 0.0031672300000000, 0.0033636300000000 ] - [ -0.0009355200000000, 0.0031660800000000, 0.0033653600000000 ] - [ -0.0000894000000000, -0.0031683200000000, 0.0033626200000000 ] - [ -0.0002139600000000, -0.0031683100000000, 0.0033634700000000 ] - [ -0.0078042100000000, -0.0024869600000000, -0.0007693300000000 ] - [ -0.0086289400000000, -0.0021822400000000, -0.0009467700000000 ] - [ 0.0084285200000000, 0.0026626500000000, -0.0009144600000000 ] - [ 0.0085327500000000, 0.0027110400000000, -0.0009185900000000 ] - [ 0.0086760100000000, -0.0017987000000000, 0.0002302400000000 ] - [ 0.0084559700000000, -0.0026547500000000, 0.0009062600000000 ] - [ -0.0084492800000000, 0.0026893800000000, 0.0008855400000000 ] - [ -0.0089260600000000, 0.0030472500000000, -0.0000868300000000 ] - [ 0.0084249900000000, 0.0026657800000000, 0.0009309600000000 ] - [ 0.0079525500000000, 0.0023051600000000, 0.0018972700000000 ] - [ 0.0090936700000000, -0.0028899600000000, -0.0010491400000000 ] - [ 0.0082518200000000, -0.0031631300000000, -0.0008711600000000 ] - [ -0.0084488600000000, 0.0026910900000000, -0.0009012400000000 ] - [ -0.0083449200000000, 0.0026381600000000, -0.0008977000000000 ] - [ -0.0082095100000000, -0.0035557100000000, 0.0015785500000000 ] - [ -0.0084222100000000, -0.0026965700000000, 0.0009104700000000 ] - [ 0.0000126600000000, -0.0018304700000000, 0.0000199000000000 ] - [ -0.0000391100000000, -0.0017717100000000, 0.0000659300000000 ] - [ -0.0403993700000000, 0.0011633600000000, -0.0010509800000000 ] - [ 0.0000346600000000, 0.0014926600000000, -0.0012015100000000 ] - [ -0.0000709000000000, -0.0014946200000000, 0.0012019400000000 ] - [ -0.0000764600000000, -0.0014935500000000, 0.0012019600000000 ] - [ -0.0002884200000000, 0.0014924700000000, 0.0012011700000000 ] - [ -0.0002885900000000, 0.0014946500000000, 0.0012032200000000 ] - [ 0.0068869200000000, -0.0005087000000000, 0.0032839800000000 ] - [ -0.0000192500000000, 0.0018814700000000, 0.0000197900000000 ] - [ 0.0000128300000000, -0.0018150600000000, -0.0000195600000000 ] - [ -0.0000392500000000, -0.0018726500000000, -0.0000645300000000 ] - [ 0.0064740200000000, 0.0040721800000000, -0.0031361600000000 ] - [ -0.0000214200000000, 0.0017582300000000, -0.0000199400000000 ] - [ -0.0000236700000000, -0.0014941300000000, -0.0012021700000000 ] - [ -0.0000303200000000, -0.0014949700000000, -0.0012004700000000 ] - [ 0.0000484900000000, -0.0018855700000000, -0.0000566700000000 ] - [ -0.0000427400000000, -0.0017641200000000, -0.0000240300000000 ] - [ 0.0000718300000000, 0.0014935200000000, -0.0012031200000000 ] - [ 0.0000717600000000, 0.0014935100000000, -0.0012017000000000 ] - [ 0.0000018100000000, -0.0014939600000000, 0.0012019000000000 ] - [ 0.0002289200000000, -0.0014942100000000, 0.0012020900000000 ] - [ 0.0000294900000000, 0.0014945000000000, 0.0012014400000000 ] - [ 0.0000220400000000, 0.0014937100000000, 0.0012015900000000 ] - [ 0.0000172500000000, 0.0019205600000000, -0.0000204100000000 ] - [ 0.0006810300000000, 0.0007540500000000, -0.0005345400000000 ] - [ 0.0000484000000000, -0.0017581800000000, 0.0000575800000000 ] - [ -0.0000432100000000, -0.0018809400000000, 0.0000243900000000 ] - [ 0.0000198900000000, 0.0017191600000000, 0.0000199600000000 ] - [ 0.0006863900000000, 0.0028995100000000, 0.0005362100000000 ] - [ 0.0000300500000000, -0.0014948700000000, -0.0012013100000000 ] - [ -0.0000101600000000, -0.0014946200000000, -0.0012014200000000 ] - [ 0.0081372700000000, 0.0000607900000000, -0.0000086600000000 ] - [ 0.0077675900000000, 0.0004344900000000, 0.0006239700000000 ] - [ -0.0081185600000000, 0.0002890200000000, 0.0000381200000000 ] - [ -0.0053960900000000, -0.0011538700000000, -0.0019287200000000 ] - [ -0.0083827700000000, -0.0000649800000000, 0.0000083300000000 ] - [ -0.0087458200000000, -0.0004258100000000, -0.0006147500000000 ] - [ 0.0083994500000000, -0.0002950400000000, -0.0000337400000000 ] - [ 0.0111278800000000, 0.0011704300000000, 0.0019304800000000 ] - [ 0.0084625500000000, 0.0000421700000000, -0.0000238600000000 ] - [ 0.0084842500000000, -0.0003069400000000, -0.0002750100000000 ] - [ -0.0087293900000000, 0.0007098300000000, 0.0003062300000000 ] - [ -0.0091680900000000, -0.0027883700000000, 0.0013575400000000 ] - [ -0.0080519700000000, -0.0000448500000000, 0.0000279800000000 ] - [ -0.0080340100000000, 0.0003062400000000, 0.0002763400000000 ] - [ 0.0077983800000000, -0.0007132400000000, -0.0003136300000000 ] - [ 0.0073506600000000, 0.0027638300000000, -0.0013421400000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0031470000000000, -0.0031178800000000 ] - [ 0.0000000000000000, 0.0062645300000000, 0.0091055600000000 ] - [ 0.0000000000000000, -0.0034059800000000, -0.0045165800000000 ] - [ 0.0000000000000000, -0.0032364600000000, -0.0027267200000000 ] - [ 0.0000000000000000, 0.0318830300000000, 0.0103602800000000 ] - [ 0.0000000000000000, 0.0025755900000000, 0.0032682500000000 ] - [ 0.0000000000000000, -0.0030680700000000, 0.0031714900000000 ] - [ 0.0000000000000000, -0.0032774100000000, 0.0034301700000000 ] - [ -0.0078541200000000, -0.0034952300000000, -0.0009540900000000 ] - [ 0.0007710800000000, 0.0033293100000000, -0.0066680600000000 ] - [ 0.0083998300000000, 0.0028596000000000, -0.0008081200000000 ] - [ 0.0084836400000000, 0.0025000000000000, -0.0009417000000000 ] - [ 0.0084542100000000, -0.0027739700000000, 0.0009144000000000 ] - [ 0.0082296400000000, -0.0026689400000000, 0.0005886700000000 ] - [ -0.0080616300000000, 0.0033701700000000, 0.0007825600000000 ] - [ -0.0086520300000000, 0.0022469200000000, 0.0010482000000000 ] - [ 0.0080616300000000, 0.0033701700000000, 0.0007825600000000 ] - [ 0.0086520300000000, 0.0022469200000000, 0.0010482000000000 ] - [ 0.0078541200000000, -0.0034952300000000, -0.0009540900000000 ] - [ -0.0007710800000000, 0.0033293100000000, -0.0066680600000000 ] - [ -0.0083998300000000, 0.0028596000000000, -0.0008081200000000 ] - [ -0.0084836400000000, 0.0025000000000000, -0.0009417000000000 ] - [ -0.0084542100000000, -0.0027739700000000, 0.0009144000000000 ] - [ -0.0082296400000000, -0.0026689400000000, 0.0005886700000000 ] - [ 0.0000000000000000, 0.0031621100000000, -0.0033784400000000 ] - [ 0.0000000000000000, 0.0031132200000000, -0.0033572000000000 ] - [ 0.0000000000000000, -0.0029399700000000, -0.0028789300000000 ] - [ 0.0000000000000000, -0.0034113200000000, -0.0035055800000000 ] - [ 0.0000000000000000, 0.0030509900000000, 0.0033598000000000 ] - [ 0.0000000000000000, 0.0034016700000000, 0.0033796700000000 ] - [ 0.0000000000000000, -0.0031330200000000, 0.0033486700000000 ] - [ 0.0000000000000000, -0.0032566300000000, 0.0034270100000000 ] - [ -0.0087143100000000, -0.0019511000000000, -0.0008222800000000 ] - [ -0.0082822500000000, -0.0031853700000000, -0.0008356100000000 ] - [ 0.0083895500000000, 0.0025527000000000, -0.0010388700000000 ] - [ 0.0083941800000000, 0.0027497600000000, -0.0008590000000000 ] - [ 0.0088097500000000, -0.0020663000000000, 0.0007501000000000 ] - [ 0.0083739600000000, -0.0028963200000000, 0.0007863000000000 ] - [ -0.0088494200000000, 0.0021085600000000, 0.0006141700000000 ] - [ -0.0081633700000000, 0.0024960900000000, 0.0016272100000000 ] - [ 0.0088494200000000, 0.0021085600000000, 0.0006141700000000 ] - [ 0.0081633700000000, 0.0024960900000000, 0.0016272100000000 ] - [ 0.0087143100000000, -0.0019511000000000, -0.0008222800000000 ] - [ 0.0082822500000000, -0.0031853700000000, -0.0008356100000000 ] - [ -0.0083895500000000, 0.0025527000000000, -0.0010388700000000 ] - [ -0.0083941800000000, 0.0027497600000000, -0.0008590000000000 ] - [ -0.0088097500000000, -0.0020663000000000, 0.0007501000000000 ] - [ -0.0083739600000000, -0.0028963200000000, 0.0007863000000000 ] - [ -0.0000135800000000, -0.0017276900000000, 0.0000156200000000 ] - [ 0.0000463000000000, -0.0019381100000000, -0.0000065300000000 ] - [ 0.0000000000000000, -0.0461113000000000, -0.0097161800000000 ] - [ 0.0000000000000000, 0.0018096600000000, -0.0012087400000000 ] - [ 0.0000000000000000, -0.0013348700000000, 0.0012091100000000 ] - [ 0.0000000000000000, -0.0016567500000000, 0.0012415000000000 ] - [ 0.0000000000000000, 0.0024460300000000, -0.0005694600000000 ] - [ 0.0000000000000000, 0.0024553100000000, 0.0015487300000000 ] - [ -0.0007773000000000, 0.0006956500000000, -0.0000731100000000 ] - [ -0.0000416700000000, 0.0019870300000000, -0.0000241100000000 ] - [ 0.0000135800000000, -0.0017276900000000, 0.0000156200000000 ] - [ -0.0000463000000000, -0.0019381100000000, -0.0000065300000000 ] - [ 0.0007773000000000, 0.0006956500000000, -0.0000731100000000 ] - [ 0.0000416700000000, 0.0019870300000000, -0.0000241100000000 ] - [ 0.0000000000000000, -0.0015279700000000, -0.0010147500000000 ] - [ 0.0000000000000000, -0.0014452700000000, -0.0013127000000000 ] - [ 0.0000161900000000, -0.0018913200000000, -0.0000051200000000 ] - [ -0.0000631000000000, -0.0017204300000000, 0.0000017700000000 ] - [ 0.0000000000000000, 0.0015316400000000, -0.0011849300000000 ] - [ 0.0000000000000000, 0.0015316000000000, -0.0012071800000000 ] - [ 0.0000000000000000, -0.0015881700000000, 0.0011907600000000 ] - [ 0.0000000000000000, -0.0013655900000000, 0.0011687200000000 ] - [ 0.0000000000000000, 0.0013998100000000, 0.0012384900000000 ] - [ 0.0000000000000000, 0.0015610300000000, 0.0012061400000000 ] - [ 0.0002153900000000, 0.0019142100000000, -0.0000523300000000 ] - [ -0.0007742900000000, 0.0025738600000000, 0.0004297600000000 ] - [ -0.0000161900000000, -0.0018913200000000, -0.0000051200000000 ] - [ 0.0000631000000000, -0.0017204300000000, 0.0000017700000000 ] - [ -0.0002153900000000, 0.0019142100000000, -0.0000523300000000 ] - [ 0.0007742900000000, 0.0025738600000000, 0.0004297600000000 ] - [ 0.0000000000000000, -0.0014556900000000, -0.0011952200000000 ] - [ 0.0000000000000000, -0.0015495700000000, -0.0012461100000000 ] - [ 0.0080843200000000, 0.0004874800000000, 0.0000295600000000 ] - [ 0.0086489600000000, -0.0008357200000000, -0.0000605900000000 ] - [ -0.0084919700000000, 0.0006838700000000, 0.0000544700000000 ] - [ -0.0073319100000000, -0.0018885100000000, -0.0009749300000000 ] - [ -0.0080843200000000, 0.0004874800000000, 0.0000295600000000 ] - [ -0.0086489600000000, -0.0008357200000000, -0.0000605900000000 ] - [ 0.0084919700000000, 0.0006838700000000, 0.0000544700000000 ] - [ 0.0073319100000000, -0.0018885100000000, -0.0009749300000000 ] - [ 0.0085220400000000, 0.0000414900000000, -0.0001784300000000 ] - [ 0.0082685200000000, 0.0002581500000000, 0.0002233900000000 ] - [ -0.0039616600000000, 0.0014291700000000, 0.0031344800000000 ] - [ -0.0087880400000000, 0.0019704000000000, -0.0014566600000000 ] - [ -0.0085220400000000, 0.0000414900000000, -0.0001784300000000 ] - [ -0.0082685200000000, 0.0002581500000000, 0.0002233900000000 ] - [ 0.0039616600000000, 0.0014291700000000, 0.0031344800000000 ] - [ 0.0087880400000000, 0.0019704000000000, -0.0014566600000000 ]- atom: 51 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0031859800000000, -0.0036088800000000 ] - [ 0.0000000000000000, 0.0000094100000000, -0.0156765500000000 ] - [ 0.0000000000000000, -0.0029349900000000, -0.0022252300000000 ] - [ 0.0000000000000000, -0.0031015800000000, -0.0039975300000000 ] - [ 0.0000000000000000, -0.0272796500000000, -0.0043159200000000 ] - [ 0.0000000000000000, 0.0037698600000000, 0.0034561900000000 ] - [ 0.0000000000000000, -0.0032658900000000, 0.0035518000000000 ] - [ 0.0000000000000000, -0.0030610400000000, 0.0032975400000000 ] - [ -0.0090155000000000, -0.0018710000000000, -0.0008608300000000 ] - [ -0.0173694200000000, -0.0085939500000000, 0.0047133700000000 ] - [ 0.0084783300000000, 0.0024915100000000, -0.0010090300000000 ] - [ 0.0083946900000000, 0.0028485800000000, -0.0008744600000000 ] - [ 0.0084247200000000, -0.0025788900000000, 0.0009016800000000 ] - [ 0.0086432300000000, -0.0026879200000000, 0.0012236900000000 ] - [ -0.0088126000000000, 0.0019886100000000, 0.0010294100000000 ] - [ -0.0082290600000000, 0.0031020800000000, 0.0007675700000000 ] - [ 0.0088126000000000, 0.0019886100000000, 0.0010294100000000 ] - [ 0.0082290600000000, 0.0031020800000000, 0.0007675700000000 ] - [ 0.0090155000000000, -0.0018710000000000, -0.0008608300000000 ] - [ 0.0173694200000000, -0.0085939500000000, 0.0047133700000000 ] - [ -0.0084783300000000, 0.0024915100000000, -0.0010090300000000 ] - [ -0.0083946900000000, 0.0028485800000000, -0.0008744600000000 ] - [ -0.0084247200000000, -0.0025788900000000, 0.0009016800000000 ] - [ -0.0086432300000000, -0.0026879200000000, 0.0012236900000000 ] - [ 0.0000000000000000, 0.0031735200000000, -0.0033496100000000 ] - [ 0.0000000000000000, 0.0032201200000000, -0.0033693400000000 ] - [ 0.0000000000000000, -0.0033950800000000, -0.0038459200000000 ] - [ 0.0000000000000000, -0.0029293500000000, -0.0032236400000000 ] - [ 0.0000000000000000, 0.0032832100000000, 0.0033697200000000 ] - [ 0.0000000000000000, 0.0029333200000000, 0.0033503300000000 ] - [ 0.0000000000000000, -0.0032038700000000, 0.0033781000000000 ] - [ 0.0000000000000000, -0.0030819200000000, 0.0033000500000000 ] - [ -0.0081739800000000, -0.0033951400000000, -0.0009912200000000 ] - [ -0.0085964700000000, -0.0021693200000000, -0.0009792200000000 ] - [ 0.0084882800000000, 0.0027988100000000, -0.0007795200000000 ] - [ 0.0084862100000000, 0.0025986100000000, -0.0009574300000000 ] - [ 0.0080634800000000, -0.0032814800000000, 0.0010675300000000 ] - [ 0.0085063400000000, -0.0024621000000000, 0.0010264700000000 ] - [ -0.0080332800000000, 0.0032373500000000, 0.0011986600000000 ] - [ -0.0087140300000000, 0.0028538200000000, 0.0001924000000000 ] - [ 0.0080332800000000, 0.0032373500000000, 0.0011986600000000 ] - [ 0.0087140300000000, 0.0028538200000000, 0.0001924000000000 ] - [ 0.0081739800000000, -0.0033951400000000, -0.0009912200000000 ] - [ 0.0085964700000000, -0.0021693200000000, -0.0009792200000000 ] - [ -0.0084882800000000, 0.0027988100000000, -0.0007795200000000 ] - [ -0.0084862100000000, 0.0025986100000000, -0.0009574300000000 ] - [ -0.0080634800000000, -0.0032814800000000, 0.0010675300000000 ] - [ -0.0085063400000000, -0.0024621000000000, 0.0010264700000000 ] - [ 0.0000138100000000, -0.0019174700000000, -0.0000139800000000 ] - [ -0.0000451700000000, -0.0017093000000000, 0.0000071000000000 ] - [ 0.0000000000000000, 0.0508167400000000, 0.0080271000000000 ] - [ 0.0000000000000000, 0.0011761000000000, -0.0011965900000000 ] - [ 0.0000000000000000, -0.0016522500000000, 0.0011962500000000 ] - [ 0.0000000000000000, -0.0013338300000000, 0.0011651700000000 ] - [ 0.0000000000000000, 0.0005293600000000, 0.0029794300000000 ] - [ 0.0000000000000000, 0.0005388100000000, 0.0008563700000000 ] - [ 0.0007862300000000, 0.0029561400000000, 0.0000650800000000 ] - [ 0.0000430900000000, 0.0016555200000000, 0.0000235100000000 ] - [ -0.0000138100000000, -0.0019174700000000, -0.0000139800000000 ] - [ 0.0000451700000000, -0.0017093000000000, 0.0000071000000000 ] - [ -0.0007862300000000, 0.0029561400000000, 0.0000650800000000 ] - [ -0.0000430900000000, 0.0016555200000000, 0.0000235100000000 ] - [ 0.0000000000000000, -0.0014628800000000, -0.0013855400000000 ] - [ 0.0000000000000000, -0.0015444400000000, -0.0010902700000000 ] - [ -0.0000157000000000, -0.0017552200000000, 0.0000067100000000 ] - [ 0.0000631100000000, -0.0019247700000000, 0.0000002200000000 ] - [ 0.0000000000000000, 0.0014541400000000, -0.0012187800000000 ] - [ 0.0000000000000000, 0.0014540700000000, -0.0011969800000000 ] - [ 0.0000000000000000, -0.0014019100000000, 0.0012144100000000 ] - [ 0.0000000000000000, -0.0016226000000000, 0.0012365200000000 ] - [ 0.0000000000000000, 0.0015870700000000, 0.0011650600000000 ] - [ 0.0000000000000000, 0.0014262700000000, 0.0011974800000000 ] - [ -0.0002157100000000, 0.0017246000000000, 0.0000515300000000 ] - [ 0.0007631100000000, 0.0010740600000000, -0.0004279100000000 ] - [ 0.0000157000000000, -0.0017552200000000, 0.0000067100000000 ] - [ -0.0000631100000000, -0.0019247700000000, 0.0000002200000000 ] - [ 0.0002157100000000, 0.0017246000000000, 0.0000515300000000 ] - [ -0.0007631100000000, 0.0010740600000000, -0.0004279100000000 ] - [ 0.0000000000000000, -0.0015341000000000, -0.0012071200000000 ] - [ 0.0000000000000000, -0.0014414600000000, -0.0011563600000000 ] - [ 0.0084343800000000, -0.0004840100000000, -0.0000265600000000 ] - [ 0.0078830200000000, 0.0008322800000000, 0.0000789600000000 ] - [ -0.0080309700000000, -0.0006795300000000, -0.0000517700000000 ] - [ -0.0091891700000000, 0.0018786800000000, 0.0009697700000000 ] - [ -0.0084343800000000, -0.0004840100000000, -0.0000265600000000 ] - [ -0.0078830200000000, 0.0008322800000000, 0.0000789600000000 ] - [ 0.0080309700000000, -0.0006795300000000, -0.0000517700000000 ] - [ 0.0091891700000000, 0.0018786800000000, 0.0009697700000000 ] - [ 0.0079928900000000, -0.0000458800000000, 0.0001842400000000 ] - [ 0.0082489000000000, -0.0002565600000000, -0.0002191600000000 ] - [ -0.0124975200000000, -0.0014252300000000, -0.0030966300000000 ] - [ -0.0077480600000000, -0.0019584800000000, 0.0014411800000000 ] - [ -0.0079928900000000, -0.0000458800000000, 0.0001842400000000 ] - [ -0.0082489000000000, -0.0002565600000000, -0.0002191600000000 ] - [ 0.0124975200000000, -0.0014252300000000, -0.0030966300000000 ] - [ 0.0077480600000000, -0.0019584800000000, 0.0014411800000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0030946300000000, -0.0032979200000000 ] - [ 0.0000000000000000, 0.0119463100000000, 0.0126050000000000 ] - [ 0.0000000000000000, -0.0031194500000000, -0.0033369400000000 ] - [ 0.0000000000000000, -0.0029949900000000, -0.0042357100000000 ] - [ 0.0000000000000000, 0.0134104400000000, 0.0045516200000000 ] - [ 0.0000000000000000, 0.0034778100000000, 0.0035903400000000 ] - [ 0.0000000000000000, -0.0025553700000000, 0.0025056800000000 ] - [ 0.0000000000000000, -0.0031523600000000, 0.0032442800000000 ] - [ -0.0082319400000000, -0.0029240700000000, -0.0009987800000000 ] - [ -0.0132017300000000, -0.0063035300000000, 0.0007490300000000 ] - [ 0.0078905500000000, 0.0029875000000000, -0.0015484500000000 ] - [ 0.0083987100000000, 0.0025709000000000, -0.0009694500000000 ] - [ 0.0083888200000000, -0.0026039300000000, 0.0009147500000000 ] - [ 0.0080256900000000, -0.0026944600000000, 0.0011674000000000 ] - [ -0.0085981500000000, 0.0025612300000000, 0.0008589300000000 ] - [ -0.0083788400000000, 0.0028526600000000, 0.0007997600000000 ] - [ 0.0085981500000000, 0.0025612300000000, 0.0008589300000000 ] - [ 0.0083788400000000, 0.0028526600000000, 0.0007997600000000 ] - [ 0.0082319400000000, -0.0029240700000000, -0.0009987800000000 ] - [ 0.0132017300000000, -0.0063035300000000, 0.0007490300000000 ] - [ -0.0078905500000000, 0.0029875000000000, -0.0015484500000000 ] - [ -0.0083987100000000, 0.0025709000000000, -0.0009694500000000 ] - [ -0.0083888200000000, -0.0026039300000000, 0.0009147500000000 ] - [ -0.0080256900000000, -0.0026944600000000, 0.0011674000000000 ] - [ 0.0000000000000000, 0.0032366800000000, -0.0033086900000000 ] - [ 0.0000000000000000, 0.0031155800000000, -0.0032387000000000 ] - [ 0.0000000000000000, -0.0031412900000000, -0.0037446100000000 ] - [ 0.0000000000000000, -0.0031901900000000, -0.0034916100000000 ] - [ 0.0000000000000000, 0.0032284900000000, 0.0034169300000000 ] - [ 0.0000000000000000, 0.0030846700000000, 0.0034685000000000 ] - [ 0.0000000000000000, -0.0030537100000000, 0.0032652900000000 ] - [ 0.0000000000000000, -0.0032117500000000, 0.0031946000000000 ] - [ -0.0085921400000000, -0.0028181400000000, -0.0007892600000000 ] - [ -0.0086777100000000, -0.0022334000000000, -0.0010283700000000 ] - [ 0.0084220900000000, 0.0027552600000000, -0.0009253300000000 ] - [ 0.0090607400000000, 0.0020901200000000, -0.0015012800000000 ] - [ 0.0083105600000000, -0.0030193300000000, 0.0018302500000000 ] - [ 0.0084876400000000, -0.0029734700000000, 0.0008910900000000 ] - [ -0.0085343700000000, 0.0026121500000000, 0.0008346500000000 ] - [ -0.0085530500000000, 0.0028398400000000, 0.0002625100000000 ] - [ 0.0085343700000000, 0.0026121500000000, 0.0008346500000000 ] - [ 0.0085530500000000, 0.0028398400000000, 0.0002625100000000 ] - [ 0.0085921400000000, -0.0028181400000000, -0.0007892600000000 ] - [ 0.0086777100000000, -0.0022334000000000, -0.0010283700000000 ] - [ -0.0084220900000000, 0.0027552600000000, -0.0009253300000000 ] - [ -0.0090607400000000, 0.0020901200000000, -0.0015012800000000 ] - [ -0.0083105600000000, -0.0030193300000000, 0.0018302500000000 ] - [ -0.0084876400000000, -0.0029734700000000, 0.0008910900000000 ] - [ 0.0000245300000000, -0.0018268300000000, 0.0000625700000000 ] - [ 0.0000568000000000, -0.0018439500000000, 0.0000289700000000 ] - [ 0.0000000000000000, -0.0077174700000000, -0.0296201900000000 ] - [ 0.0000000000000000, 0.0014893100000000, -0.0012875300000000 ] - [ 0.0000000000000000, -0.0014874000000000, 0.0012781500000000 ] - [ 0.0000000000000000, -0.0014551000000000, 0.0015252900000000 ] - [ 0.0000000000000000, 0.0011498500000000, 0.0008897200000000 ] - [ 0.0000000000000000, 0.0032705300000000, 0.0008893300000000 ] - [ 0.0016773900000000, 0.0016892800000000, -0.0003657200000000 ] - [ -0.0000102500000000, 0.0018248000000000, -0.0001034700000000 ] - [ -0.0000245300000000, -0.0018268300000000, 0.0000625700000000 ] - [ -0.0000568000000000, -0.0018439500000000, 0.0000289700000000 ] - [ -0.0016773900000000, 0.0016892800000000, -0.0003657200000000 ] - [ 0.0000102500000000, 0.0018248000000000, -0.0001034700000000 ] - [ 0.0000000000000000, -0.0016787900000000, -0.0010839000000000 ] - [ 0.0000000000000000, -0.0013838600000000, -0.0008497300000000 ] - [ -0.0000548700000000, -0.0018055100000000, 0.0000975500000000 ] - [ 0.0001052000000000, -0.0017862100000000, 0.0001213000000000 ] - [ 0.0000000000000000, 0.0014890600000000, -0.0013131000000000 ] - [ 0.0000000000000000, 0.0015110600000000, -0.0013137000000000 ] - [ 0.0000000000000000, -0.0015053700000000, 0.0012439900000000 ] - [ 0.0000000000000000, -0.0015281500000000, 0.0013164500000000 ] - [ 0.0000000000000000, 0.0014580200000000, 0.0010329100000000 ] - [ 0.0000000000000000, 0.0014899100000000, 0.0011406600000000 ] - [ -0.0000352100000000, 0.0017844500000000, -0.0000993000000000 ] - [ -0.0002427400000000, 0.0017849000000000, -0.0005672900000000 ] - [ 0.0000548700000000, -0.0018055100000000, 0.0000975500000000 ] - [ -0.0001052000000000, -0.0017862100000000, 0.0001213000000000 ] - [ 0.0000352100000000, 0.0017844500000000, -0.0000993000000000 ] - [ 0.0002427400000000, 0.0017849000000000, -0.0005672900000000 ] - [ 0.0000000000000000, -0.0015003900000000, -0.0011277000000000 ] - [ 0.0000000000000000, -0.0014498100000000, -0.0010491300000000 ] - [ 0.0081340800000000, 0.0001634300000000, 0.0000543900000000 ] - [ 0.0127918800000000, -0.0013738800000000, 0.0035687200000000 ] - [ -0.0083342400000000, -0.0001579100000000, 0.0001608200000000 ] - [ -0.0100048300000000, 0.0009303600000000, 0.0010035100000000 ] - [ -0.0081340800000000, 0.0001634300000000, 0.0000543900000000 ] - [ -0.0127918800000000, -0.0013738800000000, 0.0035687200000000 ] - [ 0.0083342400000000, -0.0001579100000000, 0.0001608200000000 ] - [ 0.0100048300000000, 0.0009303600000000, 0.0010035100000000 ] - [ 0.0080241200000000, -0.0003544500000000, 0.0001184900000000 ] - [ 0.0078209600000000, 0.0002238400000000, -0.0001916000000000 ] - [ -0.0073321400000000, 0.0008489900000000, 0.0008768500000000 ] - [ -0.0083458700000000, -0.0019640800000000, 0.0012569600000000 ] - [ -0.0080241200000000, -0.0003544500000000, 0.0001184900000000 ] - [ -0.0078209600000000, 0.0002238400000000, -0.0001916000000000 ] - [ 0.0073321400000000, 0.0008489900000000, 0.0008768500000000 ] - [ 0.0083458700000000, -0.0019640800000000, 0.0012569600000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0032437300000000, -0.0034344900000000 ] - [ 0.0000000000000000, -0.0051185900000000, -0.0182197600000000 ] - [ 0.0000000000000000, -0.0032156100000000, -0.0033933700000000 ] - [ 0.0000000000000000, -0.0033415500000000, -0.0024934100000000 ] - [ 0.0000000000000000, -0.0071163000000000, 0.0022378300000000 ] - [ 0.0000000000000000, 0.0028619100000000, 0.0031404600000000 ] - [ 0.0000000000000000, -0.0037893600000000, 0.0042326700000000 ] - [ 0.0000000000000000, -0.0031837600000000, 0.0034841700000000 ] - [ -0.0086513900000000, -0.0024236100000000, -0.0008147200000000 ] - [ -0.0035677200000000, 0.0010179300000000, -0.0025690600000000 ] - [ 0.0089928900000000, 0.0023635500000000, -0.0002657700000000 ] - [ 0.0084808000000000, 0.0027836900000000, -0.0008462600000000 ] - [ 0.0084914100000000, -0.0027480200000000, 0.0008990700000000 ] - [ 0.0088588000000000, -0.0026540200000000, 0.0006481900000000 ] - [ -0.0082810400000000, 0.0027879100000000, 0.0009410700000000 ] - [ -0.0084999600000000, 0.0025034100000000, 0.0010133900000000 ] - [ 0.0082810400000000, 0.0027879100000000, 0.0009410700000000 ] - [ 0.0084999600000000, 0.0025034100000000, 0.0010133900000000 ] - [ 0.0086513900000000, -0.0024236100000000, -0.0008147200000000 ] - [ 0.0035677200000000, 0.0010179300000000, -0.0025690600000000 ] - [ -0.0089928900000000, 0.0023635500000000, -0.0002657700000000 ] - [ -0.0084808000000000, 0.0027836900000000, -0.0008462600000000 ] - [ -0.0084914100000000, -0.0027480200000000, 0.0008990700000000 ] - [ -0.0088588000000000, -0.0026540200000000, 0.0006481900000000 ] - [ 0.0000000000000000, 0.0031018500000000, -0.0034214000000000 ] - [ 0.0000000000000000, 0.0032224500000000, -0.0034917500000000 ] - [ 0.0000000000000000, -0.0031944500000000, -0.0029847800000000 ] - [ 0.0000000000000000, -0.0031440100000000, -0.0032339900000000 ] - [ 0.0000000000000000, 0.0031088400000000, 0.0033114700000000 ] - [ 0.0000000000000000, 0.0032526300000000, 0.0032603000000000 ] - [ 0.0000000000000000, -0.0032841100000000, 0.0034659700000000 ] - [ 0.0000000000000000, -0.0031238800000000, 0.0035316900000000 ] - [ -0.0082838800000000, -0.0025329500000000, -0.0010246000000000 ] - [ -0.0082013600000000, -0.0031209500000000, -0.0007846800000000 ] - [ 0.0084578400000000, 0.0025981800000000, -0.0008897000000000 ] - [ 0.0078159800000000, 0.0032670100000000, -0.0003101600000000 ] - [ 0.0085555600000000, -0.0023602500000000, -0.0000050400000000 ] - [ 0.0083932400000000, -0.0023785800000000, 0.0009225600000000 ] - [ -0.0083421100000000, 0.0027438900000000, 0.0009815700000000 ] - [ -0.0083320000000000, 0.0025176900000000, 0.0015458300000000 ] - [ 0.0083421100000000, 0.0027438900000000, 0.0009815700000000 ] - [ 0.0083320000000000, 0.0025176900000000, 0.0015458300000000 ] - [ 0.0082838800000000, -0.0025329500000000, -0.0010246000000000 ] - [ 0.0082013600000000, -0.0031209500000000, -0.0007846800000000 ] - [ -0.0084578400000000, 0.0025981800000000, -0.0008897000000000 ] - [ -0.0078159800000000, 0.0032670100000000, -0.0003101600000000 ] - [ -0.0085555600000000, -0.0023602500000000, -0.0000050400000000 ] - [ -0.0083932400000000, -0.0023785800000000, 0.0009225600000000 ] - [ -0.0000241600000000, -0.0018168800000000, -0.0000630000000000 ] - [ -0.0000574300000000, -0.0017987600000000, -0.0000286500000000 ] - [ 0.0000000000000000, 0.0100607000000000, 0.0260877800000000 ] - [ 0.0000000000000000, 0.0014978500000000, -0.0011154800000000 ] - [ 0.0000000000000000, -0.0015004100000000, 0.0011255200000000 ] - [ 0.0000000000000000, -0.0015318000000000, 0.0008751300000000 ] - [ 0.0000000000000000, 0.0018423900000000, 0.0015172000000000 ] - [ 0.0000000000000000, -0.0002771700000000, 0.0015168300000000 ] - [ -0.0016506000000000, 0.0019604500000000, 0.0003506800000000 ] - [ 0.0000104600000000, 0.0018193100000000, 0.0001042000000000 ] - [ 0.0000241600000000, -0.0018168800000000, -0.0000630000000000 ] - [ 0.0000574300000000, -0.0017987600000000, -0.0000286500000000 ] - [ 0.0016506000000000, 0.0019604500000000, 0.0003506800000000 ] - [ -0.0000104600000000, 0.0018193100000000, 0.0001042000000000 ] - [ 0.0000000000000000, -0.0013070300000000, -0.0013215800000000 ] - [ 0.0000000000000000, -0.0016054100000000, -0.0015559500000000 ] - [ 0.0000553100000000, -0.0018366800000000, -0.0000984000000000 ] - [ -0.0001048400000000, -0.0018585300000000, -0.0001221500000000 ] - [ 0.0000000000000000, 0.0014987200000000, -0.0010893300000000 ] - [ 0.0000000000000000, 0.0014765800000000, -0.0010898800000000 ] - [ 0.0000000000000000, -0.0014819500000000, 0.0011582000000000 ] - [ 0.0000000000000000, -0.0014605600000000, 0.0010882100000000 ] - [ 0.0000000000000000, 0.0015320400000000, 0.0013723800000000 ] - [ 0.0000000000000000, 0.0014991200000000, 0.0012637600000000 ] - [ 0.0000352500000000, 0.0018598200000000, 0.0001001100000000 ] - [ 0.0002431400000000, 0.0018604300000000, 0.0005676300000000 ] - [ -0.0000553100000000, -0.0018366800000000, -0.0000984000000000 ] - [ 0.0001048400000000, -0.0018585300000000, -0.0001221500000000 ] - [ -0.0000352500000000, 0.0018598200000000, 0.0001001100000000 ] - [ -0.0002431400000000, 0.0018604300000000, 0.0005676300000000 ] - [ 0.0000000000000000, -0.0014876800000000, -0.0012767100000000 ] - [ 0.0000000000000000, -0.0015387300000000, -0.0013556300000000 ] - [ 0.0083879900000000, -0.0001638000000000, -0.0000522200000000 ] - [ 0.0036953000000000, 0.0013976200000000, -0.0035760600000000 ] - [ -0.0081844300000000, 0.0001565000000000, -0.0001642600000000 ] - [ -0.0065065200000000, -0.0009263600000000, -0.0010011400000000 ] - [ -0.0083879900000000, -0.0001638000000000, -0.0000522200000000 ] - [ -0.0036953000000000, 0.0013976200000000, -0.0035760600000000 ] - [ 0.0081844300000000, 0.0001565000000000, -0.0001642600000000 ] - [ 0.0065065200000000, -0.0009263600000000, -0.0010011400000000 ] - [ 0.0084941100000000, 0.0003534900000000, -0.0001157100000000 ] - [ 0.0086985800000000, -0.0002265600000000, 0.0001951300000000 ] - [ -0.0092041600000000, -0.0008565000000000, -0.0008777500000000 ] - [ -0.0081768900000000, 0.0019633500000000, -0.0012561300000000 ] - [ -0.0084941100000000, 0.0003534900000000, -0.0001157100000000 ] - [ -0.0086985800000000, -0.0002265600000000, 0.0001951300000000 ] - [ 0.0092041600000000, -0.0008565000000000, -0.0008777500000000 ] - [ 0.0081768900000000, 0.0019633500000000, -0.0012561300000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0169085200000000, -0.0049841600000000, 0.0100797600000000 ] - [ 0.0009433100000000, 0.0032806400000000, -0.0032289300000000 ] - [ 0.0007712800000000, -0.0031027700000000, -0.0027737000000000 ] - [ 0.0006137800000000, -0.0035695500000000, -0.0030793400000000 ] - [ 0.0006137800000000, 0.0035695500000000, 0.0030793400000000 ] - [ 0.0007712800000000, 0.0031027700000000, 0.0027737000000000 ] - [ 0.0009433100000000, -0.0032806400000000, 0.0032289300000000 ] - [ 0.0169085200000000, 0.0049841600000000, -0.0100797600000000 ] - [ -0.0070169100000000, -0.0026791800000000, -0.0010917000000000 ] - [ -0.0079658300000000, -0.0028301200000000, -0.0008151300000000 ] - [ 0.0089342000000000, 0.0012436800000000, -0.0019735800000000 ] - [ 0.0329196400000000, -0.0061482900000000, 0.0154007000000000 ] - [ 0.0329196400000000, 0.0061482900000000, -0.0154007000000000 ] - [ 0.0089342000000000, -0.0012436800000000, 0.0019735800000000 ] - [ -0.0079658300000000, 0.0028301200000000, 0.0008151300000000 ] - [ -0.0070169100000000, 0.0026791800000000, 0.0010917000000000 ] - [ 0.0081769900000000, 0.0030145300000000, 0.0005511200000000 ] - [ 0.0072342400000000, 0.0021597600000000, 0.0029448400000000 ] - [ 0.0072342400000000, -0.0021597600000000, -0.0029448400000000 ] - [ 0.0081769900000000, -0.0030145300000000, -0.0005511200000000 ] - [ -0.0092709400000000, 0.0025062800000000, -0.0006422000000000 ] - [ -0.0133051600000000, 0.0009651200000000, -0.0004170800000000 ] - [ -0.0133051600000000, -0.0009651200000000, 0.0004170800000000 ] - [ -0.0092709400000000, -0.0025062800000000, 0.0006422000000000 ] - [ -0.0024876700000000, 0.0021232600000000, -0.0040378900000000 ] - [ -0.0025754100000000, 0.0039405800000000, -0.0025960700000000 ] - [ -0.0004163000000000, -0.0031294900000000, -0.0034924200000000 ] - [ -0.0011530300000000, -0.0035773500000000, -0.0046584000000000 ] - [ -0.0011530300000000, 0.0035773500000000, 0.0046584000000000 ] - [ -0.0004163000000000, 0.0031294900000000, 0.0034924200000000 ] - [ -0.0025754100000000, -0.0039405800000000, 0.0025960700000000 ] - [ -0.0024876700000000, -0.0021232600000000, 0.0040378900000000 ] - [ -0.0087521700000000, -0.0023945000000000, -0.0008918400000000 ] - [ -0.0091825500000000, -0.0027624700000000, -0.0003989200000000 ] - [ 0.0067778000000000, 0.0054733000000000, -0.0008653600000000 ] - [ 0.0076632200000000, 0.0013608500000000, -0.0013320500000000 ] - [ 0.0076632200000000, -0.0013608500000000, 0.0013320500000000 ] - [ 0.0067778000000000, -0.0054733000000000, 0.0008653600000000 ] - [ -0.0091825500000000, 0.0027624700000000, 0.0003989200000000 ] - [ -0.0087521700000000, 0.0023945000000000, 0.0008918400000000 ] - [ 0.0091782000000000, 0.0025682100000000, 0.0002242200000000 ] - [ 0.0089119100000000, 0.0027296500000000, 0.0007088500000000 ] - [ 0.0089119100000000, -0.0027296500000000, -0.0007088500000000 ] - [ 0.0091782000000000, -0.0025682100000000, -0.0002242200000000 ] - [ -0.0065386900000000, 0.0024570700000000, -0.0018232000000000 ] - [ -0.0063136600000000, 0.0041701200000000, -0.0003951100000000 ] - [ -0.0063136600000000, -0.0041701200000000, 0.0003951100000000 ] - [ -0.0065386900000000, -0.0024570700000000, 0.0018232000000000 ] - [ 0.0008197100000000, -0.0021706700000000, 0.0001074400000000 ] - [ 0.0001500200000000, -0.0016636300000000, -0.0000229900000000 ] - [ -0.0001217900000000, 0.0013186900000000, -0.0013277500000000 ] - [ -0.0004893000000000, 0.0018780000000000, 0.0033394900000000 ] - [ -0.0004893000000000, -0.0018780000000000, -0.0033394900000000 ] - [ -0.0001217900000000, -0.0013186900000000, 0.0013277500000000 ] - [ -0.0004651900000000, -0.0027726200000000, 0.0021342700000000 ] - [ -0.0009044400000000, 0.0020133200000000, 0.0011202200000000 ] - [ -0.0001827800000000, 0.0019701100000000, -0.0001856600000000 ] - [ -0.0015946400000000, 0.0002456300000000, -0.0009901600000000 ] - [ -0.0015946400000000, -0.0002456300000000, 0.0009901600000000 ] - [ -0.0001827800000000, -0.0019701100000000, 0.0001856600000000 ] - [ 0.0001500200000000, 0.0016636300000000, 0.0000229900000000 ] - [ 0.0008197100000000, 0.0021706700000000, -0.0001074400000000 ] - [ -0.0009044400000000, -0.0020133200000000, -0.0011202200000000 ] - [ -0.0004651900000000, 0.0027726200000000, -0.0021342700000000 ] - [ 0.0001639300000000, -0.0020480000000000, -0.0004132400000000 ] - [ -0.0024617000000000, -0.0039875600000000, 0.0019114100000000 ] - [ 0.0002060600000000, 0.0017581700000000, -0.0014368200000000 ] - [ 0.0002251700000000, 0.0015039400000000, -0.0016404000000000 ] - [ 0.0002251700000000, -0.0015039400000000, 0.0016404000000000 ] - [ 0.0002060600000000, -0.0017581700000000, 0.0014368200000000 ] - [ 0.0001419400000000, 0.0017242200000000, 0.0011261000000000 ] - [ 0.0028680200000000, 0.0005690200000000, -0.0005530900000000 ] - [ 0.0007149000000000, 0.0012064600000000, 0.0004005900000000 ] - [ 0.0001345600000000, 0.0020853400000000, 0.0001752700000000 ] - [ 0.0001345600000000, -0.0020853400000000, -0.0001752700000000 ] - [ 0.0007149000000000, -0.0012064600000000, -0.0004005900000000 ] - [ -0.0024617000000000, 0.0039875600000000, -0.0019114100000000 ] - [ 0.0001639300000000, 0.0020480000000000, 0.0004132400000000 ] - [ 0.0028680200000000, -0.0005690200000000, 0.0005530900000000 ] - [ 0.0001419400000000, -0.0017242200000000, -0.0011261000000000 ] - [ -0.0891223900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0070627600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0098769000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0080406400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0168195200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0086104300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0127724600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0090886600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0123376200000000, -0.0012385000000000, -0.0006176800000000 ] - [ 0.0123376200000000, 0.0012385000000000, 0.0006176800000000 ] - [ -0.0076731600000000, -0.0014827200000000, 0.0012127800000000 ] - [ -0.0076731600000000, 0.0014827200000000, -0.0012127800000000 ] - [ -0.0086698200000000, 0.0115291600000000, 0.0081235700000000 ] - [ -0.0086698200000000, -0.0115291600000000, -0.0081235700000000 ] - [ 0.0056996200000000, -0.0000672800000000, -0.0000896500000000 ] - [ 0.0056996200000000, 0.0000672800000000, 0.0000896500000000 ]- atom: 81 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0176853500000000, 0.0117359000000000, -0.0175465900000000 ] - [ -0.0009443200000000, 0.0030537700000000, -0.0034974900000000 ] - [ -0.0007734800000000, -0.0032298800000000, -0.0039474000000000 ] - [ -0.0006121200000000, -0.0027660100000000, -0.0036492900000000 ] - [ -0.0006121200000000, 0.0027660100000000, 0.0036492900000000 ] - [ -0.0007734800000000, 0.0032298800000000, 0.0039474000000000 ] - [ -0.0009443200000000, -0.0030537700000000, 0.0034974900000000 ] - [ -0.0176853500000000, -0.0117359000000000, 0.0175465900000000 ] - [ -0.0098691600000000, -0.0026829900000000, -0.0007050300000000 ] - [ -0.0089141100000000, -0.0025207100000000, -0.0010016200000000 ] - [ 0.0079394600000000, 0.0040878100000000, 0.0001559900000000 ] - [ -0.0152021900000000, 0.0109273700000000, -0.0164894800000000 ] - [ -0.0152021900000000, -0.0109273700000000, 0.0164894800000000 ] - [ 0.0079394600000000, -0.0040878100000000, -0.0001559900000000 ] - [ -0.0089141100000000, 0.0025207100000000, 0.0010016200000000 ] - [ -0.0098691600000000, 0.0026829900000000, 0.0007050300000000 ] - [ 0.0087021800000000, 0.0023363700000000, 0.0012651400000000 ] - [ 0.0096407600000000, 0.0031943200000000, -0.0011317300000000 ] - [ 0.0096407600000000, -0.0031943200000000, 0.0011317300000000 ] - [ 0.0087021800000000, -0.0023363700000000, -0.0012651400000000 ] - [ -0.0076057700000000, 0.0028488000000000, -0.0011725100000000 ] - [ -0.0035458600000000, 0.0043964700000000, -0.0013855300000000 ] - [ -0.0035458600000000, -0.0043964700000000, 0.0013855300000000 ] - [ -0.0076057700000000, -0.0028488000000000, 0.0011725100000000 ] - [ 0.0025002800000000, 0.0042165900000000, -0.0026947400000000 ] - [ 0.0026054400000000, 0.0023847800000000, -0.0041235700000000 ] - [ 0.0004167300000000, -0.0032061700000000, -0.0032362500000000 ] - [ 0.0011533900000000, -0.0027598100000000, -0.0020728400000000 ] - [ 0.0011533900000000, 0.0027598100000000, 0.0020728400000000 ] - [ 0.0004167300000000, 0.0032061700000000, 0.0032362500000000 ] - [ 0.0026054400000000, -0.0023847800000000, 0.0041235700000000 ] - [ 0.0025002800000000, -0.0042165900000000, 0.0026947400000000 ] - [ -0.0081254100000000, -0.0029574300000000, -0.0009231300000000 ] - [ -0.0076969700000000, -0.0025882000000000, -0.0014147300000000 ] - [ 0.0100898800000000, -0.0001288100000000, -0.0009441700000000 ] - [ 0.0092163100000000, 0.0040001000000000, -0.0004809100000000 ] - [ 0.0092163100000000, -0.0040001000000000, 0.0004809100000000 ] - [ 0.0100898800000000, 0.0001288100000000, 0.0009441700000000 ] - [ -0.0076969700000000, 0.0025882000000000, 0.0014147300000000 ] - [ -0.0081254100000000, 0.0029574300000000, 0.0009231300000000 ] - [ 0.0077013100000000, 0.0027849100000000, 0.0016178500000000 ] - [ 0.0079665700000000, 0.0026206900000000, 0.0011064000000000 ] - [ 0.0079665700000000, -0.0026206900000000, -0.0011064000000000 ] - [ 0.0077013100000000, -0.0027849100000000, -0.0016178500000000 ] - [ -0.0102759500000000, 0.0026311900000000, -0.0001471700000000 ] - [ -0.0105671900000000, 0.0011840400000000, -0.0014038800000000 ] - [ -0.0105671900000000, -0.0011840400000000, 0.0014038800000000 ] - [ -0.0102759500000000, -0.0026311900000000, 0.0001471700000000 ] - [ -0.0008087600000000, -0.0014738800000000, -0.0001139100000000 ] - [ -0.0001503000000000, -0.0019813400000000, 0.0000231500000000 ] - [ 0.0001220800000000, 0.0016692900000000, -0.0010754800000000 ] - [ 0.0004885200000000, 0.0011126600000000, -0.0057580600000000 ] - [ 0.0004885200000000, -0.0011126600000000, 0.0057580600000000 ] - [ 0.0001220800000000, -0.0016692900000000, 0.0010754800000000 ] - [ 0.0004646700000000, 0.0057644800000000, 0.0002634700000000 ] - [ 0.0009117900000000, 0.0009730000000000, 0.0012906900000000 ] - [ 0.0001808300000000, 0.0016735000000000, 0.0001854800000000 ] - [ 0.0015866800000000, 0.0033907200000000, 0.0010094800000000 ] - [ 0.0015866800000000, -0.0033907200000000, -0.0010094800000000 ] - [ 0.0001808300000000, -0.0016735000000000, -0.0001854800000000 ] - [ -0.0001503000000000, 0.0019813400000000, -0.0000231500000000 ] - [ -0.0008087600000000, 0.0014738800000000, 0.0001139100000000 ] - [ 0.0009117900000000, -0.0009730000000000, -0.0012906900000000 ] - [ 0.0004646700000000, -0.0057644800000000, -0.0002634700000000 ] - [ -0.0001683000000000, -0.0015966300000000, 0.0004052000000000 ] - [ 0.0024619400000000, 0.0003418500000000, -0.0019116500000000 ] - [ -0.0002060400000000, 0.0012295500000000, -0.0009684500000000 ] - [ -0.0002265700000000, 0.0014845500000000, -0.0007642200000000 ] - [ -0.0002265700000000, -0.0014845500000000, 0.0007642200000000 ] - [ -0.0002060400000000, -0.0012295500000000, 0.0009684500000000 ] - [ -0.0001392900000000, 0.0012634600000000, 0.0012773200000000 ] - [ -0.0028651500000000, 0.0024265400000000, 0.0029462700000000 ] - [ -0.0007178900000000, 0.0024406200000000, -0.0004006900000000 ] - [ -0.0001338900000000, 0.0015585700000000, -0.0001747500000000 ] - [ -0.0001338900000000, -0.0015585700000000, 0.0001747500000000 ] - [ -0.0007178900000000, -0.0024406200000000, 0.0004006900000000 ] - [ 0.0024619400000000, -0.0003418500000000, 0.0019116500000000 ] - [ -0.0001683000000000, 0.0015966300000000, -0.0004052000000000 ] - [ -0.0028651500000000, -0.0024265400000000, -0.0029462700000000 ] - [ -0.0001392900000000, -0.0012634600000000, -0.0012773200000000 ] - [ 0.1057145100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0094442100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0066289100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0084808100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0337087900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0079043700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0037431400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0074300800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0041637700000000, 0.0012497700000000, 0.0006289200000000 ] - [ 0.0041637700000000, -0.0012497700000000, -0.0006289200000000 ] - [ -0.0088435100000000, 0.0014850200000000, -0.0012185400000000 ] - [ -0.0088435100000000, -0.0014850200000000, 0.0012185400000000 ] - [ -0.0078665700000000, -0.0114850400000000, -0.0080705600000000 ] - [ -0.0078665700000000, 0.0114850400000000, 0.0080705600000000 ] - [ 0.0108270500000000, 0.0000744200000000, 0.0000742000000000 ] - [ 0.0108270500000000, -0.0000744200000000, -0.0000742000000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0042614700000000, 0.0093932300000000, -0.0102162400000000 ] - [ -0.0004465500000000, 0.0015911500000000, -0.0024663400000000 ] - [ 0.0010116200000000, -0.0038434600000000, -0.0052065000000000 ] - [ -0.0002604100000000, -0.0034463500000000, -0.0036775600000000 ] - [ 0.0002622500000000, 0.0028941500000000, 0.0030526800000000 ] - [ -0.0010100800000000, 0.0024966200000000, 0.0015238700000000 ] - [ 0.0004479200000000, -0.0047460900000000, 0.0042616100000000 ] - [ 0.0042028900000000, 0.0030226500000000, -0.0034707200000000 ] - [ -0.0084793100000000, -0.0020394500000000, 0.0007522200000000 ] - [ -0.0077466100000000, -0.0036542200000000, -0.0009445300000000 ] - [ 0.0085481200000000, -0.0020981300000000, -0.0007659400000000 ] - [ -0.0074199200000000, 0.0130380100000000, -0.0090890700000000 ] - [ 0.0244778600000000, 0.0075534800000000, -0.0074176900000000 ] - [ 0.0083359100000000, -0.0074542500000000, 0.0010588100000000 ] - [ -0.0091286300000000, 0.0016988500000000, 0.0008659200000000 ] - [ -0.0084017400000000, 0.0033157700000000, 0.0025710700000000 ] - [ 0.0087603600000000, 0.0019588000000000, 0.0008075100000000 ] - [ 0.0076858800000000, 0.0029502200000000, 0.0017835300000000 ] - [ 0.0091916000000000, -0.0024018700000000, -0.0000370900000000 ] - [ 0.0081191000000000, -0.0033956700000000, -0.0010026100000000 ] - [ -0.0085867100000000, 0.0017645000000000, -0.0011033900000000 ] - [ -0.0075353800000000, 0.0037145000000000, -0.0014757800000000 ] - [ -0.0093582900000000, -0.0016281500000000, 0.0003391800000000 ] - [ -0.0083019400000000, -0.0035896300000000, 0.0007070000000000 ] - [ -0.0029072700000000, 0.0022080600000000, -0.0021366100000000 ] - [ 0.0025039800000000, 0.0034413900000000, -0.0042522200000000 ] - [ -0.0001459800000000, -0.0037200800000000, -0.0037962000000000 ] - [ 0.0004432700000000, -0.0020982300000000, -0.0017733200000000 ] - [ -0.0004470200000000, 0.0042386000000000, 0.0049572500000000 ] - [ 0.0001454400000000, 0.0026156800000000, 0.0029333600000000 ] - [ -0.0025087400000000, -0.0028929800000000, 0.0024819400000000 ] - [ 0.0028611300000000, -0.0040962100000000, 0.0045800800000000 ] - [ -0.0082268600000000, -0.0032522300000000, -0.0008252700000000 ] - [ -0.0088437700000000, -0.0021228400000000, -0.0008618000000000 ] - [ 0.0086163600000000, 0.0045524500000000, -0.0011878800000000 ] - [ 0.0091059400000000, 0.0015661800000000, -0.0011188700000000 ] - [ 0.0077620300000000, -0.0037764000000000, 0.0006976000000000 ] - [ 0.0082590500000000, -0.0008143800000000, 0.0006186700000000 ] - [ -0.0080377900000000, 0.0032316900000000, 0.0009496600000000 ] - [ -0.0086537200000000, 0.0020983700000000, 0.0009868400000000 ] - [ 0.0073697700000000, 0.0039462500000000, -0.0017647400000000 ] - [ 0.0086175600000000, 0.0018661700000000, 0.0012917000000000 ] - [ 0.0082616800000000, -0.0034865600000000, -0.0005189500000000 ] - [ 0.0095063500000000, -0.0014121700000000, -0.0035736400000000 ] - [ -0.0154147500000000, 0.0291295300000000, 0.0164267400000000 ] - [ -0.0094452900000000, -0.0012408800000000, -0.0004913300000000 ] - [ -0.0074220600000000, -0.0065542800000000, 0.0013288300000000 ] - [ -0.0014646000000000, 0.0222467200000000, 0.0171781500000000 ] - [ -0.0000478900000000, -0.0025424400000000, -0.0001027600000000 ] - [ 0.0000184900000000, -0.0014622400000000, -0.0000031100000000 ] - [ 0.0000627100000000, 0.0019783900000000, -0.0010380700000000 ] - [ 0.0004329300000000, 0.0006595700000000, -0.0025830300000000 ] - [ -0.0004269900000000, -0.0023271900000000, -0.0001884300000000 ] - [ -0.0000627600000000, -0.0010071000000000, 0.0013652600000000 ] - [ -0.0007109200000000, 0.0029071300000000, 0.0003537700000000 ] - [ 0.0027767300000000, 0.0034504600000000, 0.0031560100000000 ] - [ 0.0003170300000000, 0.0030973600000000, -0.0002239500000000 ] - [ -0.0027688800000000, -0.0020789700000000, 0.0010290000000000 ] - [ 0.0027871600000000, -0.0057677900000000, 0.0010693600000000 ] - [ -0.0003185000000000, -0.0005494000000000, -0.0002253900000000 ] - [ -0.0000178000000000, 0.0021808800000000, -0.0000034900000000 ] - [ 0.0000520400000000, 0.0011045500000000, -0.0001018400000000 ] - [ -0.0027759000000000, 0.0004789600000000, 0.0007709800000000 ] - [ 0.0007127900000000, -0.0000525500000000, -0.0020593800000000 ] - [ 0.0022759200000000, 0.0005442400000000, 0.0016699700000000 ] - [ 0.0005174900000000, -0.0005232900000000, -0.0017124300000000 ] - [ 0.0000420700000000, 0.0015367400000000, -0.0015574200000000 ] - [ -0.0003064800000000, 0.0017515600000000, -0.0009772100000000 ] - [ 0.0003065800000000, -0.0012356500000000, 0.0014273900000000 ] - [ -0.0000446900000000, -0.0014481700000000, 0.0008501100000000 ] - [ -0.0002923000000000, 0.0021782700000000, 0.0013592400000000 ] - [ 0.0011617000000000, -0.0003886800000000, 0.0002753500000000 ] - [ -0.0000792600000000, 0.0018865000000000, -0.0001643900000000 ] - [ 0.0005338000000000, 0.0019864900000000, 0.0002045900000000 ] - [ -0.0005367400000000, -0.0016588700000000, 0.0002052700000000 ] - [ 0.0000823700000000, -0.0017542600000000, -0.0001658000000000 ] - [ -0.0005194600000000, 0.0031115600000000, -0.0017149300000000 ] - [ -0.0022928800000000, 0.0042052500000000, 0.0017128400000000 ] - [ -0.0011624800000000, -0.0033786400000000, -0.0021322200000000 ] - [ 0.0002915900000000, -0.0008146600000000, -0.0010450700000000 ] - [ 0.0080625600000000, -0.0906865200000000, -0.0022636100000000 ] - [ 0.0082575500000000, 0.0068101500000000, -0.0001546600000000 ] - [ -0.0082595300000000, -0.0056945500000000, 0.0010942400000000 ] - [ -0.0082581300000000, 0.0029434100000000, -0.0000550700000000 ] - [ -0.0082327500000000, -0.0085436300000000, 0.0083086100000000 ] - [ -0.0082556700000000, 0.0029542700000000, -0.0008494300000000 ] - [ 0.0082642000000000, -0.0024726700000000, -0.0015839300000000 ] - [ 0.0082599400000000, 0.0015086800000000, 0.0001426100000000 ] - [ 0.0095175600000000, 0.0005598500000000, 0.0004715400000000 ] - [ 0.0070289600000000, 0.0005775600000000, 0.0004694200000000 ] - [ -0.0097425000000000, 0.0007149900000000, 0.0003674400000000 ] - [ -0.0067748100000000, 0.0007225000000000, 0.0003611300000000 ] - [ 0.0032921300000000, 0.0098371100000000, -0.0048637700000000 ] - [ -0.0197225100000000, 0.0097140900000000, -0.0048475600000000 ] - [ 0.0083279700000000, 0.0011049100000000, 0.0004904500000000 ] - [ 0.0081863900000000, 0.0011133500000000, 0.0004824300000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0142096200000000, -0.0063130700000000, 0.0164687800000000 ] - [ -0.0002001200000000, 0.0027195900000000, -0.0029194800000000 ] - [ 0.0005604900000000, -0.0041743900000000, -0.0058751700000000 ] - [ -0.0001491800000000, -0.0032020400000000, -0.0042560000000000 ] - [ 0.0001453800000000, 0.0031342000000000, 0.0024703900000000 ] - [ -0.0005609200000000, 0.0021614600000000, 0.0008644900000000 ] - [ 0.0002015000000000, -0.0036151100000000, 0.0038080200000000 ] - [ -0.0148983700000000, -0.0129735400000000, 0.0235052600000000 ] - [ -0.0078758300000000, -0.0019419000000000, -0.0032303800000000 ] - [ -0.0081170300000000, -0.0025562200000000, -0.0012698100000000 ] - [ 0.0081387500000000, 0.0017325100000000, 0.0005280700000000 ] - [ 0.0235971700000000, 0.0001134300000000, 0.0113913300000000 ] - [ -0.0063332000000000, -0.0050518700000000, 0.0130099400000000 ] - [ 0.0087408000000000, -0.0036211600000000, 0.0023416600000000 ] - [ -0.0087632500000000, 0.0027954800000000, 0.0005457300000000 ] - [ -0.0089954400000000, 0.0034132800000000, -0.0013909100000000 ] - [ 0.0085529100000000, 0.0026749100000000, 0.0005845000000000 ] - [ 0.0092008000000000, 0.0031987000000000, -0.0006085200000000 ] - [ 0.0076987200000000, -0.0021684100000000, -0.0024094200000000 ] - [ 0.0083285300000000, -0.0026745900000000, -0.0012305800000000 ] - [ -0.0084758800000000, 0.0027913900000000, -0.0006472100000000 ] - [ -0.0095220000000000, 0.0023479600000000, 0.0004987400000000 ] - [ -0.0073713800000000, -0.0030093700000000, 0.0023211600000000 ] - [ -0.0084025400000000, -0.0025611200000000, 0.0011651600000000 ] - [ -0.0000465500000000, 0.0036871200000000, -0.0018646700000000 ] - [ 0.0013179400000000, 0.0028446700000000, -0.0015336400000000 ] - [ 0.0000269500000000, -0.0032348000000000, -0.0032932100000000 ] - [ -0.0003490100000000, -0.0034742900000000, -0.0048969700000000 ] - [ 0.0003540600000000, 0.0028624000000000, 0.0018285800000000 ] - [ -0.0000251500000000, 0.0031023700000000, 0.0034341300000000 ] - [ -0.0013135800000000, -0.0034918900000000, 0.0051949100000000 ] - [ 0.0000525700000000, -0.0026519000000000, 0.0048588500000000 ] - [ -0.0083156300000000, -0.0026928200000000, -0.0011302300000000 ] - [ -0.0082534800000000, -0.0026518900000000, -0.0012376300000000 ] - [ 0.0092015200000000, 0.0021760100000000, 0.0012471100000000 ] - [ 0.0091842500000000, 0.0034146800000000, -0.0002698400000000 ] - [ 0.0076955100000000, -0.0019396900000000, 0.0015457400000000 ] - [ 0.0077020200000000, -0.0031623000000000, 0.0030615200000000 ] - [ -0.0086211700000000, 0.0026978100000000, 0.0005815600000000 ] - [ -0.0085617900000000, 0.0026617700000000, 0.0006857500000000 ] - [ 0.0090526200000000, 0.0030331700000000, -0.0016175400000000 ] - [ 0.0085950200000000, 0.0025157500000000, 0.0006027200000000 ] - [ 0.0082828700000000, -0.0028358100000000, -0.0012091200000000 ] - [ 0.0078320900000000, -0.0023274600000000, -0.0034461100000000 ] - [ -0.0147218800000000, 0.0173766500000000, 0.0124628300000000 ] - [ -0.0079433100000000, 0.0037626500000000, 0.0017896400000000 ] - [ -0.0089403200000000, -0.0015934300000000, 0.0036140500000000 ] - [ -0.0020747400000000, 0.0116106700000000, 0.0140929900000000 ] - [ -0.0002025500000000, -0.0014517400000000, 0.0001983100000000 ] - [ -0.0000236800000000, -0.0019114400000000, 0.0000546300000000 ] - [ -0.0000080300000000, 0.0015221600000000, -0.0011475900000000 ] - [ 0.0006194200000000, 0.0014267500000000, 0.0023685100000000 ] - [ -0.0006189700000000, -0.0015656200000000, 0.0047763500000000 ] - [ 0.0000090600000000, -0.0014658600000000, 0.0012549200000000 ] - [ 0.0003041600000000, -0.0016167700000000, 0.0020758700000000 ] - [ 0.0013489900000000, 0.0029365300000000, 0.0024590400000000 ] - [ 0.0000839200000000, 0.0019321100000000, -0.0000788000000000 ] - [ -0.0007387900000000, 0.0038388400000000, 0.0026849800000000 ] - [ 0.0007734600000000, 0.0002590500000000, 0.0028298700000000 ] - [ -0.0000840600000000, -0.0017133600000000, -0.0000785700000000 ] - [ 0.0000229900000000, 0.0017322900000000, 0.0000553200000000 ] - [ 0.0002045500000000, 0.0021932300000000, 0.0002009200000000 ] - [ -0.0013508400000000, -0.0000393100000000, 0.0000550500000000 ] - [ -0.0003158300000000, -0.0046150700000000, -0.0003200600000000 ] - [ 0.0010182500000000, -0.0005867900000000, 0.0010056800000000 ] - [ -0.0004388500000000, -0.0044553400000000, 0.0014034800000000 ] - [ -0.0000269800000000, 0.0013123900000000, -0.0010835100000000 ] - [ -0.0002766300000000, 0.0017152700000000, -0.0013934400000000 ] - [ 0.0002748000000000, -0.0012726500000000, 0.0010087800000000 ] - [ 0.0000248000000000, -0.0016739800000000, 0.0013197700000000 ] - [ 0.0000361600000000, 0.0014406100000000, 0.0013662900000000 ] - [ -0.0019301100000000, 0.0024717400000000, 0.0022081900000000 ] - [ 0.0004649600000000, 0.0014459800000000, 0.0002225400000000 ] - [ 0.0003417200000000, 0.0019610800000000, 0.0000512600000000 ] - [ -0.0003427100000000, -0.0016810100000000, 0.0000509700000000 ] - [ -0.0004649700000000, -0.0021995800000000, 0.0002195700000000 ] - [ 0.0004433100000000, -0.0008200900000000, 0.0014207200000000 ] - [ -0.0010192600000000, 0.0030589700000000, 0.0010168000000000 ] - [ 0.0019284900000000, -0.0005276600000000, -0.0002024700000000 ] - [ -0.0000360400000000, -0.0015474000000000, -0.0010387000000000 ] - [ 0.0084081900000000, -0.0022483000000000, -0.0844912300000000 ] - [ 0.0082582600000000, -0.0001548800000000, -0.0011431100000000 ] - [ -0.0082624200000000, -0.0010941400000000, 0.0060272900000000 ] - [ -0.0082603900000000, 0.0000549900000000, 0.0000731200000000 ] - [ -0.0082697400000000, 0.0083087600000000, -0.0169395700000000 ] - [ -0.0082579000000000, -0.0008494100000000, -0.0014658500000000 ] - [ 0.0082456400000000, 0.0015839400000000, 0.0022370900000000 ] - [ 0.0082578600000000, -0.0001425800000000, 0.0003314000000000 ] - [ 0.0088762000000000, 0.0004688900000000, -0.0017549300000000 ] - [ 0.0076294900000000, 0.0004716900000000, -0.0017443100000000 ] - [ -0.0094754300000000, -0.0003576000000000, 0.0021751000000000 ] - [ -0.0070443600000000, -0.0003710500000000, 0.0021758800000000 ] - [ -0.0001540600000000, -0.0048461500000000, -0.0145659400000000 ] - [ -0.0163480700000000, -0.0048643800000000, -0.0145613600000000 ] - [ 0.0081858900000000, -0.0004898900000000, 0.0042596300000000 ] - [ 0.0083497400000000, -0.0004827800000000, 0.0042549300000000 ]