# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/56781e59-bd71-4726-80af-a9bb712e05fa/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 Dy3GaO6 / Cmc2_1 (36) / materials id 31113](https://mdr.nims.go.jp/datasets/1942aae9-901a-4635-aeec-20466058666f) ## 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: "Cmc2_1" number: 36 Hall_symbol: "C 2c -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, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 4.392312670000000, -5.505202940000000, 0.000000000000000 ] # a - [ 4.392312670000000, 5.505202940000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.379424020000000 ] # c points: - symbol: Dy # 1 coordinates: [ 0.087802140000000, 0.297900800000000, 0.469746020000000 ] mass: 162.500000 - symbol: Dy # 2 coordinates: [ 0.912197860000000, 0.702099200000000, 0.969746020000000 ] mass: 162.500000 - symbol: Dy # 3 coordinates: [ 0.702099200000000, 0.912197860000000, 0.469746020000000 ] mass: 162.500000 - symbol: Dy # 4 coordinates: [ 0.297900800000000, 0.087802140000000, 0.969746020000000 ] mass: 162.500000 - symbol: Dy # 5 coordinates: [ 0.602254730000000, 0.397745270000000, 0.421063930000000 ] mass: 162.500000 - symbol: Dy # 6 coordinates: [ 0.397745270000000, 0.602254730000000, 0.921063930000000 ] mass: 162.500000 - symbol: Ga # 7 coordinates: [ 0.807226270000000, 0.192773730000000, 0.999901040000000 ] mass: 69.723000 - symbol: Ga # 8 coordinates: [ 0.192773730000000, 0.807226270000000, 0.499901040000000 ] mass: 69.723000 - symbol: O # 9 coordinates: [ 0.895412340000000, 0.422550480000000, 0.180072240000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.104587660000000, 0.577449520000000, 0.680072240000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.577449520000000, 0.104587660000000, 0.180072240000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.422550480000000, 0.895412340000000, 0.680072240000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.323785170000000, 0.356102570000000, 0.196179490000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.676214830000000, 0.643897430000000, 0.696179490000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.643897430000000, 0.676214830000000, 0.196179490000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.356102570000000, 0.323785170000000, 0.696179490000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.962550380000000, 0.037449620000000, 0.144859720000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.037449620000000, 0.962550380000000, 0.644859720000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.783633500000000, 0.216366500000000, 0.662049820000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.216366500000000, 0.783633500000000, 0.162049820000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.113835247525764, -0.090823173178063, 0.000000000000000 ] # a* - [ 0.113835247525764, 0.090823173178063, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.185893507610133 ] # c*unit_cell: lattice: - [ 8.784625340000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 11.010405880000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.379424020000000 ] # c points: - symbol: Dy # 1 coordinates: [ 0.192851470000000, 0.105049330000000, 0.469746020000000 ] mass: 162.500000 reduced_to: 1 - symbol: Dy # 2 coordinates: [ 0.807148530000000, 0.894950670000000, 0.969746020000000 ] mass: 162.500000 reduced_to: 2 - symbol: Dy # 3 coordinates: [ 0.807148530000000, 0.105049330000000, 0.469746020000000 ] mass: 162.500000 reduced_to: 3 - symbol: Dy # 4 coordinates: [ 0.192851470000000, 0.894950670000000, 0.969746020000000 ] mass: 162.500000 reduced_to: 4 - symbol: Dy # 5 coordinates: [ 0.500000000000000, 0.897745270000000, 0.421063930000000 ] mass: 162.500000 reduced_to: 5 - symbol: Dy # 6 coordinates: [ 0.500000000000000, 0.102254730000000, 0.921063930000000 ] mass: 162.500000 reduced_to: 6 - symbol: Dy # 7 coordinates: [ 0.692851470000000, 0.605049330000000, 0.469746020000000 ] mass: 162.500000 reduced_to: 1 - symbol: Dy # 8 coordinates: [ 0.307148530000000, 0.394950670000000, 0.969746020000000 ] mass: 162.500000 reduced_to: 2 - symbol: Dy # 9 coordinates: [ 0.307148530000000, 0.605049330000000, 0.469746020000000 ] mass: 162.500000 reduced_to: 3 - symbol: Dy # 10 coordinates: [ 0.692851470000000, 0.394950670000000, 0.969746020000000 ] mass: 162.500000 reduced_to: 4 - symbol: Dy # 11 coordinates: [ 0.000000000000000, 0.397745270000000, 0.421063930000000 ] mass: 162.500000 reduced_to: 5 - symbol: Dy # 12 coordinates: [ 0.000000000000000, 0.602254730000000, 0.921063930000000 ] mass: 162.500000 reduced_to: 6 - symbol: Ga # 13 coordinates: [ 0.500000000000000, 0.692773730000000, 0.999901040000000 ] mass: 69.723000 reduced_to: 13 - symbol: Ga # 14 coordinates: [ 0.500000000000000, 0.307226270000000, 0.499901040000000 ] mass: 69.723000 reduced_to: 14 - symbol: Ga # 15 coordinates: [ 0.000000000000000, 0.192773730000000, 0.999901040000000 ] mass: 69.723000 reduced_to: 13 - symbol: Ga # 16 coordinates: [ 0.000000000000000, 0.807226270000000, 0.499901040000000 ] mass: 69.723000 reduced_to: 14 - symbol: O # 17 coordinates: [ 0.658981410000000, 0.763569070000000, 0.180072240000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.341018590000000, 0.236430930000000, 0.680072240000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.341018590000000, 0.763569070000000, 0.180072240000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.658981410000000, 0.236430930000000, 0.680072240000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.339943870000000, 0.016158700000000, 0.196179490000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.660056130000000, 0.983841300000000, 0.696179490000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.660056130000000, 0.016158700000000, 0.196179490000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.339943870000000, 0.983841300000000, 0.696179490000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.500000000000000, 0.537449620000000, 0.144859720000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.500000000000000, 0.462550380000000, 0.644859720000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.500000000000000, 0.716366500000000, 0.662049820000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.500000000000000, 0.283633500000000, 0.162049820000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.158981410000000, 0.263569070000000, 0.180072240000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 30 coordinates: [ 0.841018590000000, 0.736430930000000, 0.680072240000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 31 coordinates: [ 0.841018590000000, 0.263569070000000, 0.180072240000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 32 coordinates: [ 0.158981410000000, 0.736430930000000, 0.680072240000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 33 coordinates: [ 0.839943870000000, 0.516158700000000, 0.196179490000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 34 coordinates: [ 0.160056130000000, 0.483841300000000, 0.696179490000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 35 coordinates: [ 0.160056130000000, 0.516158700000000, 0.196179490000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 36 coordinates: [ 0.839943870000000, 0.483841300000000, 0.696179490000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 37 coordinates: [ 0.000000000000000, 0.037449620000000, 0.144859720000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 38 coordinates: [ 0.000000000000000, 0.962550380000000, 0.644859720000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 39 coordinates: [ 0.000000000000000, 0.216366500000000, 0.662049820000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 40 coordinates: [ 0.000000000000000, 0.783633500000000, 0.162049820000000 ] mass: 15.999400 reduced_to: 28supercell: lattice: - [ 8.784625340000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 11.010405880000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.758848040000000 ] # c points: - symbol: Dy # 1 coordinates: [ 0.192851470000000, 0.105049330000000, 0.234873010000000 ] mass: 162.500000 reduced_to: 1 - symbol: Dy # 2 coordinates: [ 0.192851470000000, 0.105049330000000, 0.734873010000000 ] mass: 162.500000 reduced_to: 1 - symbol: Dy # 3 coordinates: [ 0.807148530000000, 0.894950670000000, 0.484873010000000 ] mass: 162.500000 reduced_to: 3 - symbol: Dy # 4 coordinates: [ 0.807148530000000, 0.894950670000000, 0.984873010000000 ] mass: 162.500000 reduced_to: 3 - symbol: Dy # 5 coordinates: [ 0.807148530000000, 0.105049330000000, 0.234873010000000 ] mass: 162.500000 reduced_to: 5 - symbol: Dy # 6 coordinates: [ 0.807148530000000, 0.105049330000000, 0.734873010000000 ] mass: 162.500000 reduced_to: 5 - symbol: Dy # 7 coordinates: [ 0.192851470000000, 0.894950670000000, 0.484873010000000 ] mass: 162.500000 reduced_to: 7 - symbol: Dy # 8 coordinates: [ 0.192851470000000, 0.894950670000000, 0.984873010000000 ] mass: 162.500000 reduced_to: 7 - symbol: Dy # 9 coordinates: [ 0.500000000000000, 0.897745270000000, 0.210531965000000 ] mass: 162.500000 reduced_to: 9 - symbol: Dy # 10 coordinates: [ 0.500000000000000, 0.897745270000000, 0.710531965000000 ] mass: 162.500000 reduced_to: 9 - symbol: Dy # 11 coordinates: [ 0.500000000000000, 0.102254730000000, 0.460531965000000 ] mass: 162.500000 reduced_to: 11 - symbol: Dy # 12 coordinates: [ 0.500000000000000, 0.102254730000000, 0.960531965000000 ] mass: 162.500000 reduced_to: 11 - symbol: Dy # 13 coordinates: [ 0.692851470000000, 0.605049330000000, 0.234873010000000 ] mass: 162.500000 reduced_to: 1 - symbol: Dy # 14 coordinates: [ 0.692851470000000, 0.605049330000000, 0.734873010000000 ] mass: 162.500000 reduced_to: 1 - symbol: Dy # 15 coordinates: [ 0.307148530000000, 0.394950670000000, 0.484873010000000 ] mass: 162.500000 reduced_to: 3 - symbol: Dy # 16 coordinates: [ 0.307148530000000, 0.394950670000000, 0.984873010000000 ] mass: 162.500000 reduced_to: 3 - symbol: Dy # 17 coordinates: [ 0.307148530000000, 0.605049330000000, 0.234873010000000 ] mass: 162.500000 reduced_to: 5 - symbol: Dy # 18 coordinates: [ 0.307148530000000, 0.605049330000000, 0.734873010000000 ] mass: 162.500000 reduced_to: 5 - symbol: Dy # 19 coordinates: [ 0.692851470000000, 0.394950670000000, 0.484873010000000 ] mass: 162.500000 reduced_to: 7 - symbol: Dy # 20 coordinates: [ 0.692851470000000, 0.394950670000000, 0.984873010000000 ] mass: 162.500000 reduced_to: 7 - symbol: Dy # 21 coordinates: [ 0.000000000000000, 0.397745270000000, 0.210531965000000 ] mass: 162.500000 reduced_to: 9 - symbol: Dy # 22 coordinates: [ 0.000000000000000, 0.397745270000000, 0.710531965000000 ] mass: 162.500000 reduced_to: 9 - symbol: Dy # 23 coordinates: [ 0.000000000000000, 0.602254730000000, 0.460531965000000 ] mass: 162.500000 reduced_to: 11 - symbol: Dy # 24 coordinates: [ 0.000000000000000, 0.602254730000000, 0.960531965000000 ] mass: 162.500000 reduced_to: 11 - symbol: Ga # 25 coordinates: [ 0.500000000000000, 0.692773730000000, 0.499950520000000 ] mass: 69.723000 reduced_to: 25 - symbol: Ga # 26 coordinates: [ 0.500000000000000, 0.692773730000000, 0.999950520000000 ] mass: 69.723000 reduced_to: 25 - symbol: Ga # 27 coordinates: [ 0.500000000000000, 0.307226270000000, 0.249950520000000 ] mass: 69.723000 reduced_to: 27 - symbol: Ga # 28 coordinates: [ 0.500000000000000, 0.307226270000000, 0.749950520000000 ] mass: 69.723000 reduced_to: 27 - symbol: Ga # 29 coordinates: [ 0.000000000000000, 0.192773730000000, 0.499950520000000 ] mass: 69.723000 reduced_to: 25 - symbol: Ga # 30 coordinates: [ 0.000000000000000, 0.192773730000000, 0.999950520000000 ] mass: 69.723000 reduced_to: 25 - symbol: Ga # 31 coordinates: [ 0.000000000000000, 0.807226270000000, 0.249950520000000 ] mass: 69.723000 reduced_to: 27 - symbol: Ga # 32 coordinates: [ 0.000000000000000, 0.807226270000000, 0.749950520000000 ] mass: 69.723000 reduced_to: 27 - symbol: O # 33 coordinates: [ 0.658981410000000, 0.763569070000000, 0.090036120000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.658981410000000, 0.763569070000000, 0.590036120000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.341018590000000, 0.236430930000000, 0.340036120000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.341018590000000, 0.236430930000000, 0.840036120000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 37 coordinates: [ 0.341018590000000, 0.763569070000000, 0.090036120000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.341018590000000, 0.763569070000000, 0.590036120000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.658981410000000, 0.236430930000000, 0.340036120000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.658981410000000, 0.236430930000000, 0.840036120000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 41 coordinates: [ 0.339943870000000, 0.016158700000000, 0.098089745000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.339943870000000, 0.016158700000000, 0.598089745000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.660056130000000, 0.983841300000000, 0.348089745000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.660056130000000, 0.983841300000000, 0.848089745000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.660056130000000, 0.016158700000000, 0.098089745000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.660056130000000, 0.016158700000000, 0.598089745000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.339943870000000, 0.983841300000000, 0.348089745000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.339943870000000, 0.983841300000000, 0.848089745000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.500000000000000, 0.537449620000000, 0.072429860000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.500000000000000, 0.537449620000000, 0.572429860000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.500000000000000, 0.462550380000000, 0.322429860000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.500000000000000, 0.462550380000000, 0.822429860000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.500000000000000, 0.716366500000000, 0.331024910000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.500000000000000, 0.716366500000000, 0.831024910000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.500000000000000, 0.283633500000000, 0.081024910000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.500000000000000, 0.283633500000000, 0.581024910000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.158981410000000, 0.263569070000000, 0.090036120000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 58 coordinates: [ 0.158981410000000, 0.263569070000000, 0.590036120000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 59 coordinates: [ 0.841018590000000, 0.736430930000000, 0.340036120000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 60 coordinates: [ 0.841018590000000, 0.736430930000000, 0.840036120000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 61 coordinates: [ 0.841018590000000, 0.263569070000000, 0.090036120000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 62 coordinates: [ 0.841018590000000, 0.263569070000000, 0.590036120000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 63 coordinates: [ 0.158981410000000, 0.736430930000000, 0.340036120000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 64 coordinates: [ 0.158981410000000, 0.736430930000000, 0.840036120000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 65 coordinates: [ 0.839943870000000, 0.516158700000000, 0.098089745000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 66 coordinates: [ 0.839943870000000, 0.516158700000000, 0.598089745000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 67 coordinates: [ 0.160056130000000, 0.483841300000000, 0.348089745000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 68 coordinates: [ 0.160056130000000, 0.483841300000000, 0.848089745000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 69 coordinates: [ 0.160056130000000, 0.516158700000000, 0.098089745000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 70 coordinates: [ 0.160056130000000, 0.516158700000000, 0.598089745000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 71 coordinates: [ 0.839943870000000, 0.483841300000000, 0.348089745000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 72 coordinates: [ 0.839943870000000, 0.483841300000000, 0.848089745000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 73 coordinates: [ 0.000000000000000, 0.037449620000000, 0.072429860000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 74 coordinates: [ 0.000000000000000, 0.037449620000000, 0.572429860000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 75 coordinates: [ 0.000000000000000, 0.962550380000000, 0.322429860000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 76 coordinates: [ 0.000000000000000, 0.962550380000000, 0.822429860000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 77 coordinates: [ 0.000000000000000, 0.216366500000000, 0.331024910000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 78 coordinates: [ 0.000000000000000, 0.216366500000000, 0.831024910000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 79 coordinates: [ 0.000000000000000, 0.783633500000000, 0.081024910000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 80 coordinates: [ 0.000000000000000, 0.783633500000000, 0.581024910000000 ] mass: 15.999400 reduced_to: 55displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1605309600000000, 0.0394687000000000, -0.0006715800000000 ] - [ -0.0051679700000000, 0.0023952800000000, 0.0000283900000000 ] - [ 0.0063951300000000, 0.0016649200000000, -0.0039460900000000 ] - [ 0.0063955900000000, 0.0032241000000000, 0.0024170300000000 ] - [ 0.0428368300000000, 0.0030033200000000, 0.0005598900000000 ] - [ 0.0037026900000000, 0.0013317800000000, -0.0002722200000000 ] - [ -0.0152168000000000, -0.0034533800000000, 0.0023388000000000 ] - [ -0.0152000900000000, -0.0035735700000000, -0.0033556900000000 ] - [ 0.0201519500000000, -0.0167629300000000, -0.0015726500000000 ] - [ 0.0018538800000000, -0.0009614700000000, 0.0000641900000000 ] - [ 0.0165321200000000, -0.0004265900000000, 0.0155818300000000 ] - [ 0.0105205800000000, 0.0022295300000000, -0.0117867300000000 ] - [ 0.0036575100000000, -0.0001861900000000, 0.0001013600000000 ] - [ 0.0012227700000000, -0.0004822100000000, 0.0002627500000000 ] - [ -0.0057693400000000, 0.0060611500000000, 0.0059947600000000 ] - [ -0.0058194000000000, 0.0008334300000000, -0.0002265500000000 ] - [ -0.0029600800000000, -0.0009899900000000, -0.0001468500000000 ] - [ -0.0007272600000000, -0.0008972000000000, 0.0006560600000000 ] - [ 0.0048930700000000, -0.0003218300000000, 0.0004847000000000 ] - [ 0.0048941500000000, 0.0004186600000000, 0.0002299800000000 ] - [ 0.0008407000000000, -0.0150750300000000, 0.0025267400000000 ] - [ -0.0005740800000000, -0.0022101800000000, 0.0000156700000000 ] - [ -0.0011412800000000, 0.0000535800000000, -0.0013009900000000 ] - [ -0.0003642300000000, -0.0001621000000000, 0.0013669600000000 ] - [ 0.0008267300000000, -0.0003309100000000, 0.0008456700000000 ] - [ 0.0012878400000000, -0.0010563400000000, -0.0009343900000000 ] - [ 0.0159039900000000, 0.0114926700000000, -0.0011119300000000 ] - [ 0.0001183300000000, 0.0003732600000000, 0.0006185700000000 ] - [ 0.0001014100000000, -0.0016601100000000, -0.0184167300000000 ] - [ 0.0042035100000000, -0.0095069100000000, 0.0143375300000000 ] - [ -0.0010572000000000, 0.0116815400000000, 0.0013672700000000 ] - [ -0.0006950700000000, 0.0012500800000000, -0.0003121000000000 ] - [ -0.0023784700000000, 0.0007262700000000, 0.0014723400000000 ] - [ -0.0012264600000000, -0.0005315500000000, 0.0004547100000000 ] - [ 0.0197398900000000, 0.0085035100000000, 0.0083408700000000 ] - [ 0.0013271800000000, -0.0008397200000000, 0.0004386200000000 ] - [ 0.0003507300000000, 0.0039338700000000, 0.0010721700000000 ] - [ -0.0000044500000000, 0.0005760600000000, -0.0004146800000000 ] - [ -0.0089215300000000, 0.0012763100000000, 0.0004696600000000 ] - [ -0.0020728000000000, -0.0006546500000000, 0.0009786100000000 ] - [ 0.0274678700000000, -0.0102722700000000, -0.0140313700000000 ] - [ 0.0015644800000000, 0.0002033500000000, -0.0042760500000000 ] - [ -0.0090873100000000, -0.0011539300000000, 0.0002852000000000 ] - [ -0.0028337300000000, 0.0008264600000000, 0.0000999800000000 ] - [ -0.0101846200000000, -0.0016964400000000, -0.0012992500000000 ] - [ -0.0036327000000000, 0.0013683500000000, -0.0015409500000000 ] - [ 0.0281846400000000, -0.0124178500000000, 0.0093235700000000 ] - [ 0.0011228400000000, 0.0005321000000000, 0.0039956200000000 ] - [ -0.0002392800000000, -0.0000128700000000, 0.0005688500000000 ] - [ -0.0007296100000000, -0.0004448300000000, -0.0005437500000000 ] - [ -0.0025750500000000, -0.0038025800000000, -0.0005565000000000 ] - [ 0.0000908400000000, -0.0001311000000000, -0.0006438800000000 ] - [ -0.0006857700000000, 0.0020965700000000, -0.0003617200000000 ] - [ -0.0003619700000000, 0.0004844600000000, 0.0006368800000000 ] - [ -0.0035866800000000, -0.0048250000000000, 0.0050492600000000 ] - [ -0.0010347200000000, -0.0015138000000000, -0.0021721200000000 ] - [ 0.0107984800000000, 0.0068020800000000, -0.0059933000000000 ] - [ 0.0043742500000000, 0.0011012200000000, 0.0019182000000000 ] - [ -0.0024916600000000, -0.0030553800000000, 0.0006971400000000 ] - [ -0.0003698400000000, -0.0003025100000000, -0.0005433500000000 ] - [ -0.0043442900000000, 0.0038890300000000, -0.0023855600000000 ] - [ -0.0027584700000000, 0.0011935200000000, 0.0031342900000000 ] - [ 0.0041399000000000, -0.0012218600000000, 0.0010148600000000 ] - [ 0.0009787000000000, 0.0010985600000000, 0.0008399000000000 ] - [ -0.0019110900000000, 0.0015498500000000, -0.0008847800000000 ] - [ -0.0005177600000000, 0.0006792200000000, 0.0000649200000000 ] - [ 0.0036138200000000, -0.0000033400000000, 0.0009108600000000 ] - [ 0.0008381400000000, 0.0003755600000000, -0.0004342000000000 ] - [ 0.0021339400000000, 0.0022341800000000, -0.0004037200000000 ] - [ 0.0021240600000000, -0.0003865800000000, -0.0008650700000000 ] - [ -0.0020332600000000, 0.0013875100000000, 0.0007202900000000 ] - [ -0.0008703300000000, -0.0001303700000000, -0.0000051100000000 ] - [ 0.0016226500000000, -0.0042475900000000, -0.0091260700000000 ] - [ 0.0009346300000000, -0.0020380900000000, 0.0044637100000000 ] - [ 0.0050049600000000, -0.0081851900000000, 0.0040994400000000 ] - [ 0.0009397900000000, -0.0018559300000000, -0.0010824100000000 ] - [ 0.0132848900000000, -0.0067556600000000, -0.0028983600000000 ] - [ 0.0002057700000000, 0.0009752300000000, -0.0036452900000000 ] - [ 0.0010984000000000, -0.0028900600000000, -0.0027403600000000 ] - [ 0.0017959900000000, 0.0001308100000000, 0.0000542200000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1602658400000000, -0.0392330300000000, -0.0000724700000000 ] - [ 0.0052742800000000, -0.0026132200000000, 0.0000758800000000 ] - [ -0.0064909100000000, -0.0014701100000000, 0.0040529100000000 ] - [ -0.0064895200000000, -0.0030237200000000, -0.0023637800000000 ] - [ -0.0435055100000000, -0.0032618300000000, -0.0004973200000000 ] - [ -0.0037983000000000, -0.0015492000000000, 0.0003677800000000 ] - [ 0.0153310300000000, 0.0037302900000000, -0.0023084500000000 ] - [ 0.0153465900000000, 0.0038602800000000, 0.0035149400000000 ] - [ -0.0200580600000000, 0.0167706600000000, 0.0014334700000000 ] - [ -0.0018632100000000, 0.0011802600000000, -0.0001352700000000 ] - [ -0.0164794100000000, 0.0002288300000000, -0.0154844400000000 ] - [ -0.0105592400000000, -0.0024761000000000, 0.0116652500000000 ] - [ -0.0035692300000000, -0.0000397100000000, -0.0000191600000000 ] - [ -0.0011339600000000, 0.0002550700000000, -0.0001808200000000 ] - [ 0.0056947700000000, -0.0058573800000000, -0.0059314500000000 ] - [ 0.0056435600000000, -0.0006621600000000, 0.0003427800000000 ] - [ 0.0028629800000000, 0.0007583700000000, 0.0002185700000000 ] - [ 0.0006307000000000, 0.0006672800000000, -0.0005719900000000 ] - [ -0.0048038900000000, 0.0005630400000000, -0.0003914100000000 ] - [ -0.0048014900000000, -0.0001754000000000, -0.0001697200000000 ] - [ -0.0007559400000000, 0.0153459900000000, -0.0026730000000000 ] - [ 0.0005823100000000, 0.0024378900000000, -0.0000798800000000 ] - [ 0.0011449400000000, -0.0002801200000000, 0.0012284800000000 ] - [ 0.0003774600000000, -0.0000704600000000, -0.0014411500000000 ] - [ -0.0008290300000000, 0.0002383400000000, -0.0013530200000000 ] - [ -0.0012970700000000, 0.0009768600000000, 0.0004103700000000 ] - [ -0.0158999900000000, -0.0112919900000000, 0.0006517100000000 ] - [ -0.0001271900000000, -0.0002933900000000, -0.0011005500000000 ] - [ -0.0000788900000000, 0.0015957400000000, 0.0180025900000000 ] - [ -0.0040744900000000, 0.0095210900000000, -0.0149288200000000 ] - [ 0.0010641900000000, -0.0116409900000000, -0.0019099300000000 ] - [ 0.0007020600000000, -0.0011621200000000, -0.0001901100000000 ] - [ 0.0026097400000000, -0.0008353000000000, -0.0014499900000000 ] - [ 0.0014362700000000, 0.0004051500000000, -0.0004511600000000 ] - [ -0.0192978900000000, -0.0076569000000000, -0.0077226400000000 ] - [ -0.0015123200000000, 0.0009737200000000, -0.0004512700000000 ] - [ -0.0005735400000000, -0.0040582200000000, -0.0010466500000000 ] - [ -0.0002000800000000, -0.0007063300000000, 0.0004212400000000 ] - [ 0.0092012600000000, -0.0011978100000000, -0.0004775100000000 ] - [ 0.0022794000000000, 0.0007940100000000, -0.0009751500000000 ] - [ -0.0266867800000000, 0.0097744700000000, 0.0129339900000000 ] - [ -0.0016241900000000, 0.0000071100000000, 0.0041396800000000 ] - [ 0.0091520300000000, 0.0009839800000000, -0.0004450300000000 ] - [ 0.0029013700000000, -0.0010327600000000, -0.0002216500000000 ] - [ 0.0102865400000000, 0.0019359200000000, 0.0012250500000000 ] - [ 0.0036991300000000, -0.0011648600000000, 0.0014015700000000 ] - [ -0.0276522200000000, 0.0114360600000000, -0.0087803400000000 ] - [ -0.0011846300000000, -0.0007339400000000, -0.0041434100000000 ] - [ 0.0002495400000000, -0.0001349600000000, -0.0003004300000000 ] - [ 0.0007350800000000, 0.0003433600000000, 0.0007863000000000 ] - [ 0.0025940900000000, 0.0039411500000000, 0.0008041200000000 ] - [ -0.0000819300000000, 0.0002224400000000, 0.0008748000000000 ] - [ 0.0006900900000000, -0.0020320400000000, 0.0007796000000000 ] - [ 0.0003650400000000, -0.0004190400000000, -0.0002504500000000 ] - [ 0.0035847900000000, 0.0047136000000000, -0.0046206000000000 ] - [ 0.0010429000000000, 0.0014529600000000, 0.0026033700000000 ] - [ -0.0107920200000000, -0.0068358700000000, 0.0058723800000000 ] - [ -0.0041550600000000, -0.0012219100000000, -0.0019006800000000 ] - [ 0.0022641900000000, 0.0031752500000000, -0.0006734900000000 ] - [ 0.0001465200000000, 0.0004282300000000, 0.0005666700000000 ] - [ 0.0041202700000000, -0.0040668800000000, 0.0024437300000000 ] - [ 0.0025189000000000, -0.0013100600000000, -0.0031107400000000 ] - [ -0.0039277900000000, 0.0013601600000000, -0.0009931200000000 ] - [ -0.0007579400000000, -0.0009780700000000, -0.0008191600000000 ] - [ 0.0018486300000000, -0.0013508400000000, 0.0007566900000000 ] - [ 0.0004548200000000, -0.0004780100000000, -0.0001964800000000 ] - [ -0.0035636100000000, -0.0001986100000000, -0.0010359100000000 ] - [ -0.0007844600000000, -0.0005714400000000, 0.0002961700000000 ] - [ -0.0020802500000000, -0.0019995000000000, 0.0002862500000000 ] - [ -0.0020767100000000, 0.0005975500000000, 0.0007416200000000 ] - [ 0.0019643700000000, -0.0015956500000000, -0.0008428900000000 ] - [ 0.0008069600000000, -0.0000755200000000, -0.0001207400000000 ] - [ -0.0019189600000000, 0.0040286800000000, 0.0091842800000000 ] - [ -0.0009454700000000, 0.0018907000000000, -0.0042228400000000 ] - [ -0.0054408500000000, 0.0080586300000000, -0.0036893600000000 ] - [ -0.0009441900000000, 0.0019893500000000, 0.0013361500000000 ] - [ -0.0139268100000000, 0.0073948800000000, 0.0038034000000000 ] - [ -0.0002240800000000, -0.0009313600000000, 0.0040491000000000 ] - [ -0.0011072300000000, 0.0028391200000000, 0.0031399300000000 ] - [ -0.0017982900000000, -0.0001896600000000, 0.0003335800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0388339400000000, -0.1397743500000000, -0.0106625200000000 ] - [ 0.0025536200000000, -0.0069080500000000, 0.0002300600000000 ] - [ 0.0030773400000000, 0.0010562900000000, -0.0053649900000000 ] - [ 0.0015312900000000, 0.0010801300000000, 0.0026775900000000 ] - [ -0.0031048300000000, -0.0190251200000000, -0.0030471600000000 ] - [ -0.0014897200000000, -0.0046913300000000, 0.0005690900000000 ] - [ 0.0037738900000000, 0.0112368000000000, -0.0205272400000000 ] - [ 0.0036383800000000, 0.0112541400000000, 0.0181745000000000 ] - [ -0.0188856100000000, 0.0119748000000000, 0.0034351600000000 ] - [ -0.0015202000000000, 0.0008959400000000, -0.0002801100000000 ] - [ -0.0015431100000000, -0.0180645900000000, -0.0006939400000000 ] - [ -0.0043443100000000, -0.0108476800000000, 0.0045079600000000 ] - [ -0.0000259600000000, 0.0062632800000000, 0.0002997500000000 ] - [ -0.0003231500000000, 0.0032719700000000, -0.0000067300000000 ] - [ 0.0007114400000000, 0.0096186900000000, 0.0090350600000000 ] - [ 0.0059266600000000, 0.0096271800000000, -0.0085024200000000 ] - [ 0.0008394000000000, 0.0095742800000000, 0.0005246200000000 ] - [ 0.0007389200000000, 0.0043482800000000, -0.0001584100000000 ] - [ -0.0002494200000000, 0.0022938400000000, 0.0023316100000000 ] - [ 0.0004923000000000, 0.0022966200000000, -0.0023855500000000 ] - [ -0.0137059400000000, 0.0217730300000000, -0.0009620500000000 ] - [ -0.0008880000000000, 0.0018047000000000, 0.0003539500000000 ] - [ -0.0002262200000000, 0.0063482200000000, -0.0002703100000000 ] - [ -0.0006905200000000, 0.0057927800000000, -0.0005739800000000 ] - [ -0.0007250300000000, 0.0034796000000000, -0.0009010500000000 ] - [ -0.0011169200000000, 0.0039040500000000, 0.0008367300000000 ] - [ 0.0155751800000000, 0.0081336200000000, -0.0024672300000000 ] - [ 0.0005909600000000, -0.0002631600000000, 0.0002913800000000 ] - [ -0.0026588800000000, -0.0063813000000000, 0.0126657600000000 ] - [ -0.0135290200000000, -0.0144536100000000, -0.0106825300000000 ] - [ 0.0051520700000000, 0.0139421700000000, 0.0008320500000000 ] - [ 0.0004556400000000, 0.0003777300000000, -0.0009171400000000 ] - [ 0.0010067500000000, -0.0031862300000000, -0.0009057900000000 ] - [ -0.0004149100000000, -0.0020954000000000, 0.0008865700000000 ] - [ 0.0100039800000000, 0.0259178200000000, 0.0095932300000000 ] - [ -0.0014874800000000, 0.0026587800000000, 0.0017379300000000 ] - [ 0.0011505500000000, -0.0058225700000000, -0.0009220600000000 ] - [ 0.0014434900000000, -0.0031629300000000, 0.0018281400000000 ] - [ -0.0036626400000000, 0.0031629900000000, -0.0010756100000000 ] - [ 0.0005307300000000, 0.0025228700000000, -0.0003667100000000 ] - [ -0.0101134300000000, 0.0181628200000000, 0.0073268100000000 ] - [ 0.0005749600000000, 0.0034365500000000, 0.0042995200000000 ] - [ 0.0024855700000000, 0.0033468000000000, 0.0011301700000000 ] - [ 0.0008033700000000, 0.0006151600000000, -0.0012189300000000 ] - [ 0.0039710000000000, 0.0031458300000000, 0.0002151000000000 ] - [ -0.0001288000000000, 0.0020298300000000, 0.0004988200000000 ] - [ -0.0081555500000000, 0.0242163700000000, -0.0062557500000000 ] - [ 0.0004510100000000, 0.0014181500000000, -0.0042932600000000 ] - [ -0.0004539200000000, -0.0038364100000000, -0.0000952300000000 ] - [ -0.0003993000000000, -0.0028490300000000, -0.0004469000000000 ] - [ -0.0022251300000000, -0.0050113700000000, -0.0000387800000000 ] - [ -0.0007570100000000, -0.0009444700000000, 0.0014099000000000 ] - [ 0.0005450100000000, -0.0045787100000000, 0.0005983300000000 ] - [ 0.0001957300000000, -0.0016506700000000, -0.0004408000000000 ] - [ -0.0043610000000000, 0.0003399100000000, 0.0048363500000000 ] - [ -0.0013407400000000, 0.0014669700000000, -0.0012132800000000 ] - [ 0.0019606400000000, 0.0140336600000000, 0.0001334500000000 ] - [ 0.0002266000000000, 0.0010030500000000, -0.0046861200000000 ] - [ -0.0024129800000000, -0.0046955800000000, 0.0009870800000000 ] - [ -0.0004185600000000, -0.0016778400000000, -0.0003167700000000 ] - [ 0.0048526200000000, 0.0028923400000000, 0.0013180000000000 ] - [ 0.0013417900000000, 0.0004826200000000, -0.0030802500000000 ] - [ 0.0003621300000000, -0.0070599900000000, 0.0006158800000000 ] - [ 0.0000138300000000, -0.0028440400000000, -0.0013805200000000 ] - [ 0.0017463400000000, -0.0030682500000000, 0.0008598300000000 ] - [ -0.0000376100000000, -0.0016578500000000, -0.0003576900000000 ] - [ -0.0000065000000000, -0.0069867500000000, -0.0013670400000000 ] - [ 0.0007524500000000, -0.0027056100000000, 0.0016770000000000 ] - [ -0.0007140600000000, -0.0064045300000000, 0.0002664900000000 ] - [ 0.0010592100000000, -0.0026672000000000, -0.0012133500000000 ] - [ 0.0019107600000000, -0.0039681600000000, -0.0015070500000000 ] - [ 0.0000481100000000, -0.0016308100000000, 0.0005995400000000 ] - [ -0.0042969200000000, 0.0135794400000000, -0.0044181100000000 ] - [ -0.0009347600000000, 0.0054908200000000, 0.0006749000000000 ] - [ -0.0084675600000000, 0.0049944600000000, 0.0021832100000000 ] - [ -0.0005678800000000, 0.0010090500000000, -0.0015226400000000 ] - [ -0.0036229100000000, 0.0149647700000000, 0.0020756000000000 ] - [ 0.0015918300000000, 0.0032986300000000, 0.0034991200000000 ] - [ -0.0014435900000000, -0.0034096900000000, -0.0022959500000000 ] - [ -0.0014693800000000, -0.0022145600000000, 0.0018057200000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0398649200000000, 0.1395525700000000, 0.0102380200000000 ] - [ -0.0024638400000000, 0.0066626600000000, -0.0001348900000000 ] - [ -0.0031646200000000, -0.0008207700000000, 0.0054309300000000 ] - [ -0.0015967000000000, -0.0007967900000000, -0.0025848800000000 ] - [ 0.0031633300000000, 0.0187487300000000, 0.0030871200000000 ] - [ 0.0014000200000000, 0.0044517000000000, -0.0004753400000000 ] - [ -0.0036647200000000, -0.0110097900000000, 0.0207363500000000 ] - [ -0.0035519600000000, -0.0109926400000000, -0.0182053500000000 ] - [ 0.0190368700000000, -0.0117527200000000, -0.0035419500000000 ] - [ 0.0015204800000000, -0.0006654300000000, 0.0002040600000000 ] - [ 0.0015153000000000, 0.0177974500000000, 0.0005896000000000 ] - [ 0.0043064900000000, 0.0105815700000000, -0.0045368400000000 ] - [ 0.0001127900000000, -0.0064596200000000, -0.0002158400000000 ] - [ 0.0004102200000000, -0.0034844800000000, 0.0000893700000000 ] - [ -0.0007768200000000, -0.0093677800000000, -0.0088821200000000 ] - [ -0.0059856700000000, -0.0093594500000000, 0.0085109800000000 ] - [ -0.0009021900000000, -0.0097693200000000, -0.0004479300000000 ] - [ -0.0008222900000000, -0.0045596500000000, 0.0002421100000000 ] - [ 0.0003372300000000, -0.0020808800000000, -0.0022330600000000 ] - [ -0.0003994800000000, -0.0020773200000000, 0.0024506500000000 ] - [ 0.0135031500000000, -0.0213155600000000, 0.0008549200000000 ] - [ 0.0008823000000000, -0.0015942500000000, -0.0004289900000000 ] - [ 0.0002053300000000, -0.0065460500000000, 0.0002112700000000 ] - [ 0.0006843000000000, -0.0059946800000000, 0.0004770900000000 ] - [ 0.0007286900000000, -0.0035705600000000, 0.0003993600000000 ] - [ 0.0011267600000000, -0.0039910900000000, -0.0013381400000000 ] - [ -0.0154444600000000, -0.0080078500000000, 0.0019425500000000 ] - [ -0.0005870000000000, 0.0003555900000000, -0.0008105100000000 ] - [ 0.0026623400000000, 0.0062290600000000, -0.0131778600000000 ] - [ 0.0134878500000000, 0.0141679800000000, 0.0101672600000000 ] - [ -0.0052486400000000, -0.0138810800000000, -0.0013307000000000 ] - [ -0.0004538400000000, -0.0002563200000000, 0.0003971100000000 ] - [ -0.0007775300000000, 0.0030501000000000, 0.0009440000000000 ] - [ 0.0006166900000000, 0.0019530700000000, -0.0008723900000000 ] - [ -0.0094890400000000, -0.0251396900000000, -0.0088686500000000 ] - [ 0.0012683900000000, -0.0025185900000000, -0.0017111700000000 ] - [ -0.0014022700000000, 0.0056906900000000, 0.0009761800000000 ] - [ -0.0016527100000000, 0.0030225700000000, -0.0018165200000000 ] - [ 0.0038723700000000, -0.0030266000000000, 0.0010985900000000 ] - [ -0.0003147500000000, -0.0023812500000000, 0.0003851100000000 ] - [ 0.0104807700000000, -0.0181958100000000, -0.0078787200000000 ] - [ -0.0006431700000000, -0.0032260200000000, -0.0044267500000000 ] - [ -0.0024252100000000, -0.0035471700000000, -0.0012531500000000 ] - [ -0.0007421300000000, -0.0008225000000000, 0.0010789900000000 ] - [ -0.0039141100000000, -0.0029412700000000, -0.0003372800000000 ] - [ 0.0001862200000000, -0.0018177800000000, -0.0006285300000000 ] - [ 0.0088733800000000, -0.0251587400000000, 0.0068373900000000 ] - [ -0.0005161200000000, -0.0016281400000000, 0.0041448900000000 ] - [ 0.0004481000000000, 0.0036768600000000, 0.0003659400000000 ] - [ 0.0003959200000000, 0.0027386900000000, 0.0006843400000000 ] - [ 0.0022081000000000, 0.0051387300000000, 0.0002929000000000 ] - [ 0.0007530800000000, 0.0010620200000000, -0.0011554800000000 ] - [ -0.0005511900000000, 0.0046184500000000, -0.0001894400000000 ] - [ -0.0001976700000000, 0.0017099200000000, 0.0008098700000000 ] - [ 0.0043286900000000, -0.0003933400000000, -0.0044381600000000 ] - [ 0.0013359300000000, -0.0015163400000000, 0.0016086200000000 ] - [ -0.0018625800000000, -0.0134057100000000, -0.0007550800000000 ] - [ 0.0000126100000000, -0.0011038200000000, 0.0047031800000000 ] - [ 0.0022026300000000, 0.0047898700000000, -0.0009769200000000 ] - [ 0.0001895300000000, 0.0017765100000000, 0.0003449900000000 ] - [ -0.0050504200000000, -0.0029800200000000, -0.0012855000000000 ] - [ -0.0015774600000000, -0.0005832900000000, 0.0031139100000000 ] - [ -0.0001354200000000, 0.0071856100000000, -0.0006151600000000 ] - [ 0.0002208500000000, 0.0029407300000000, 0.0014097300000000 ] - [ -0.0017922400000000, 0.0032613400000000, -0.0009773600000000 ] - [ -0.0000183500000000, 0.0018628300000000, 0.0002221300000000 ] - [ 0.0000677300000000, 0.0067445800000000, 0.0012149500000000 ] - [ -0.0006870900000000, 0.0024968700000000, -0.0017956600000000 ] - [ 0.0007724700000000, 0.0065768300000000, -0.0003807500000000 ] - [ -0.0009965500000000, 0.0028672300000000, 0.0010753500000000 ] - [ -0.0019532900000000, 0.0037475700000000, 0.0013642600000000 ] - [ -0.0001080800000000, 0.0014240300000000, -0.0007233900000000 ] - [ 0.0041080900000000, -0.0138618400000000, 0.0044571900000000 ] - [ 0.0009317600000000, -0.0056281900000000, -0.0004131900000000 ] - [ 0.0081443500000000, -0.0053139400000000, -0.0017403500000000 ] - [ 0.0005687300000000, -0.0008790600000000, 0.0017586800000000 ] - [ 0.0033180700000000, -0.0147110600000000, -0.0014924600000000 ] - [ -0.0015851700000000, -0.0032141400000000, -0.0031143700000000 ] - [ 0.0014601700000000, 0.0033308500000000, 0.0027152000000000 ] - [ 0.0014716700000000, 0.0021351200000000, -0.0014443200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0009374000000000, -0.0102479200000000, -0.1490021300000000 ] - [ 0.0000226100000000, 0.0000691600000000, 0.0105213200000000 ] - [ -0.0024281100000000, -0.0025175200000000, 0.0021934400000000 ] - [ 0.0039402600000000, 0.0054951700000000, 0.0022267900000000 ] - [ -0.0004965500000000, -0.0031752200000000, -0.0179034700000000 ] - [ 0.0002637000000000, 0.0004104300000000, 0.0070539300000000 ] - [ -0.0033816300000000, -0.0181600800000000, 0.0169827900000000 ] - [ 0.0023565900000000, 0.0206105300000000, 0.0168953500000000 ] - [ -0.0017285300000000, 0.0028012900000000, -0.0193858800000000 ] - [ 0.0002206600000000, 0.0001780000000000, 0.0060956800000000 ] - [ 0.0157810000000000, 0.0002289400000000, 0.0116807000000000 ] - [ -0.0119239400000000, -0.0032769800000000, 0.0113071400000000 ] - [ 0.0001086100000000, 0.0001472000000000, -0.0034196200000000 ] - [ 0.0002664000000000, -0.0001600300000000, 0.0026645000000000 ] - [ 0.0002525800000000, 0.0086173900000000, 0.0056798100000000 ] - [ -0.0059976400000000, -0.0088131600000000, 0.0056950500000000 ] - [ 0.0001348100000000, 0.0003736000000000, -0.0051843100000000 ] - [ -0.0006565500000000, -0.0003148000000000, 0.0037392600000000 ] - [ 0.0002495900000000, 0.0025252600000000, 0.0012821600000000 ] - [ 0.0004833900000000, -0.0021597600000000, 0.0012953100000000 ] - [ 0.0039991900000000, -0.0009949100000000, -0.0146396300000000 ] - [ -0.0004105400000000, 0.0003017100000000, 0.0054229300000000 ] - [ -0.0007213300000000, -0.0005883200000000, 0.0007483600000000 ] - [ 0.0010478900000000, -0.0000461300000000, 0.0004597300000000 ] - [ 0.0007460000000000, -0.0007446500000000, -0.0003875300000000 ] - [ -0.0013122400000000, 0.0008345700000000, 0.0008187500000000 ] - [ 0.0062692100000000, 0.0032260400000000, -0.0122827800000000 ] - [ -0.0006982600000000, -0.0004892500000000, 0.0039133000000000 ] - [ -0.0086234000000000, 0.0044740200000000, 0.0154948400000000 ] - [ 0.0176624100000000, -0.0098757800000000, 0.0181242700000000 ] - [ 0.0002821600000000, -0.0034662500000000, -0.0077029300000000 ] - [ 0.0004418800000000, 0.0007348300000000, 0.0035450600000000 ] - [ -0.0004770900000000, -0.0006721200000000, 0.0018577400000000 ] - [ 0.0003838400000000, 0.0004962700000000, -0.0012383000000000 ] - [ 0.0071417600000000, 0.0070764400000000, 0.0203309900000000 ] - [ 0.0007097000000000, 0.0007486300000000, -0.0043868000000000 ] - [ 0.0016094300000000, -0.0046560300000000, 0.0020116700000000 ] - [ -0.0015610600000000, 0.0019601100000000, -0.0022900800000000 ] - [ -0.0033674900000000, 0.0000413700000000, 0.0018765800000000 ] - [ 0.0010667900000000, 0.0010543500000000, -0.0024231700000000 ] - [ -0.0176420800000000, 0.0133646500000000, 0.0342310800000000 ] - [ -0.0006384600000000, 0.0006353700000000, -0.0074370600000000 ] - [ -0.0017248500000000, 0.0011008000000000, 0.0029704000000000 ] - [ 0.0005946600000000, -0.0008078900000000, -0.0033297300000000 ] - [ 0.0024028300000000, -0.0006257400000000, 0.0040192100000000 ] - [ -0.0014835100000000, 0.0011661900000000, -0.0037552100000000 ] - [ 0.0085208000000000, -0.0091268700000000, 0.0239070200000000 ] - [ 0.0010834900000000, -0.0003744300000000, -0.0075124400000000 ] - [ 0.0008827000000000, 0.0003473600000000, 0.0014994100000000 ] - [ -0.0004779900000000, -0.0006427500000000, -0.0010231600000000 ] - [ -0.0021427300000000, -0.0040720200000000, 0.0012905400000000 ] - [ 0.0007333800000000, 0.0007712200000000, -0.0017301300000000 ] - [ -0.0006459900000000, -0.0000311100000000, 0.0022639900000000 ] - [ 0.0002165600000000, -0.0000956600000000, -0.0012774100000000 ] - [ 0.0026262800000000, 0.0031675400000000, 0.0047150500000000 ] - [ -0.0006529200000000, -0.0015268400000000, -0.0037555000000000 ] - [ -0.0007265100000000, -0.0014445500000000, 0.0119769700000000 ] - [ 0.0005104800000000, -0.0014370400000000, -0.0055968500000000 ] - [ 0.0011753300000000, 0.0024306700000000, 0.0006342000000000 ] - [ -0.0002897300000000, -0.0009772800000000, -0.0015212100000000 ] - [ -0.0057794100000000, 0.0029145500000000, 0.0038373000000000 ] - [ 0.0014519300000000, -0.0011321900000000, -0.0038451200000000 ] - [ 0.0001836100000000, 0.0034217800000000, 0.0017259500000000 ] - [ -0.0001464700000000, -0.0021721600000000, -0.0028310100000000 ] - [ -0.0003367600000000, 0.0008525000000000, 0.0013605600000000 ] - [ 0.0000441000000000, -0.0002337900000000, -0.0014284900000000 ] - [ 0.0010665000000000, -0.0023606800000000, 0.0021447200000000 ] - [ -0.0007175500000000, 0.0009784900000000, -0.0026614300000000 ] - [ -0.0005317300000000, 0.0034398900000000, 0.0023053700000000 ] - [ 0.0009434300000000, -0.0011322100000000, -0.0022310900000000 ] - [ -0.0009039100000000, -0.0005777800000000, 0.0020623600000000 ] - [ 0.0002082600000000, 0.0002886300000000, -0.0017041300000000 ] - [ -0.0107045000000000, -0.0031451400000000, 0.0013997600000000 ] - [ 0.0023581600000000, 0.0005578300000000, -0.0048741100000000 ] - [ 0.0031471700000000, 0.0025579700000000, 0.0125694600000000 ] - [ -0.0007281100000000, -0.0002871200000000, -0.0045620100000000 ] - [ -0.0014607600000000, 0.0023465200000000, 0.0124321100000000 ] - [ -0.0011132800000000, 0.0008879300000000, -0.0071745700000000 ] - [ -0.0012283000000000, -0.0025273000000000, 0.0040160900000000 ] - [ 0.0012071700000000, 0.0014542000000000, -0.0027817300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0003364800000000, 0.0106626500000000, 0.1494144600000000 ] - [ 0.0000709400000000, -0.0002906900000000, -0.0104624200000000 ] - [ 0.0023516100000000, 0.0027418500000000, -0.0021747900000000 ] - [ -0.0040615800000000, -0.0053005000000000, -0.0021422800000000 ] - [ 0.0005594100000000, 0.0029622600000000, 0.0180836300000000 ] - [ -0.0003765600000000, -0.0006299300000000, -0.0069939800000000 ] - [ 0.0034887100000000, 0.0182169700000000, -0.0168604000000000 ] - [ -0.0022873900000000, -0.0206526400000000, -0.0169481500000000 ] - [ 0.0017067700000000, -0.0025679800000000, 0.0194227500000000 ] - [ -0.0002005100000000, 0.0000242500000000, -0.0061970500000000 ] - [ -0.0156633500000000, -0.0004564900000000, -0.0117690000000000 ] - [ 0.0120507800000000, 0.0030730400000000, -0.0114457500000000 ] - [ -0.0000112600000000, -0.0003655900000000, 0.0035256400000000 ] - [ -0.0001739300000000, -0.0000627800000000, -0.0025971400000000 ] - [ -0.0003169700000000, -0.0083978600000000, -0.0056419900000000 ] - [ 0.0059254800000000, 0.0090983400000000, -0.0056288400000000 ] - [ -0.0002313100000000, -0.0005955200000000, 0.0052958300000000 ] - [ 0.0005676700000000, 0.0000871400000000, -0.0036731900000000 ] - [ -0.0001494800000000, -0.0023129200000000, -0.0012241000000000 ] - [ -0.0003895100000000, 0.0023992400000000, -0.0012120400000000 ] - [ -0.0039869700000000, 0.0011467100000000, 0.0146515000000000 ] - [ 0.0003991200000000, -0.0000625800000000, -0.0055163200000000 ] - [ 0.0007190900000000, 0.0003753300000000, -0.0008418700000000 ] - [ -0.0010542300000000, -0.0001765800000000, -0.0005224200000000 ] - [ -0.0007421900000000, 0.0006516100000000, -0.0001592700000000 ] - [ 0.0013202000000000, -0.0009290800000000, -0.0013402900000000 ] - [ -0.0063202000000000, -0.0031728400000000, 0.0118168000000000 ] - [ 0.0007068500000000, 0.0005938000000000, -0.0044436900000000 ] - [ 0.0084850000000000, -0.0044821600000000, -0.0160304600000000 ] - [ -0.0178821700000000, 0.0099048000000000, -0.0188222200000000 ] - [ -0.0002713200000000, 0.0036424900000000, 0.0072459500000000 ] - [ -0.0004465000000000, -0.0006551800000000, -0.0040971000000000 ] - [ 0.0006876900000000, 0.0005471200000000, -0.0018562900000000 ] - [ -0.0001810900000000, -0.0006300200000000, 0.0012663700000000 ] - [ -0.0068757700000000, -0.0064296600000000, -0.0199323000000000 ] - [ -0.0009431600000000, -0.0006397400000000, 0.0044229200000000 ] - [ -0.0018368100000000, 0.0045576300000000, -0.0020182700000000 ] - [ 0.0013452900000000, -0.0020855500000000, 0.0023159300000000 ] - [ 0.0036124000000000, 0.0000718200000000, -0.0018485400000000 ] - [ -0.0008536600000000, -0.0009433000000000, 0.0024517700000000 ] - [ 0.0186277200000000, -0.0139439600000000, -0.0352317300000000 ] - [ 0.0005536000000000, -0.0004086200000000, 0.0073265600000000 ] - [ 0.0017750200000000, -0.0013047000000000, -0.0030997300000000 ] - [ -0.0005423100000000, 0.0006082000000000, 0.0032078300000000 ] - [ -0.0023576500000000, 0.0008358700000000, -0.0041754500000000 ] - [ 0.0015468000000000, -0.0009587800000000, 0.0036556800000000 ] - [ -0.0079052700000000, 0.0082203400000000, -0.0235043400000000 ] - [ -0.0011604400000000, 0.0001767900000000, 0.0074294200000000 ] - [ -0.0008879800000000, -0.0004709900000000, -0.0012578100000000 ] - [ 0.0004779600000000, 0.0005293800000000, 0.0012802200000000 ] - [ 0.0021541400000000, 0.0042601700000000, -0.0010218700000000 ] - [ -0.0007381100000000, -0.0006452400000000, 0.0019937900000000 ] - [ 0.0006488700000000, 0.0000864300000000, -0.0018615500000000 ] - [ -0.0002187300000000, 0.0001621500000000, 0.0016873600000000 ] - [ -0.0026502000000000, -0.0032623600000000, -0.0043764700000000 ] - [ 0.0006501100000000, 0.0014633900000000, 0.0041757300000000 ] - [ 0.0008305600000000, 0.0018932500000000, -0.0124731000000000 ] - [ -0.0002822500000000, 0.0012863700000000, 0.0056298300000000 ] - [ -0.0013999200000000, -0.0023341300000000, -0.0006222000000000 ] - [ 0.0000607400000000, 0.0011007100000000, 0.0015514200000000 ] - [ 0.0055978400000000, -0.0030598400000000, -0.0038498500000000 ] - [ -0.0016631700000000, 0.0010013800000000, 0.0039004400000000 ] - [ 0.0000337200000000, -0.0033129200000000, -0.0017128400000000 ] - [ 0.0003834800000000, 0.0023073700000000, 0.0028751700000000 ] - [ 0.0002764000000000, -0.0006516000000000, -0.0015027100000000 ] - [ -0.0001028300000000, 0.0004353900000000, 0.0013132700000000 ] - [ -0.0010064100000000, 0.0021646400000000, -0.0022754600000000 ] - [ 0.0007807500000000, -0.0011907800000000, 0.0025385200000000 ] - [ 0.0006004400000000, -0.0032442600000000, -0.0024478300000000 ] - [ -0.0008924300000000, 0.0013368100000000, 0.0021234200000000 ] - [ 0.0008426500000000, 0.0003774100000000, -0.0021960900000000 ] - [ -0.0002645200000000, -0.0004994200000000, 0.0015757400000000 ] - [ 0.0105732000000000, 0.0029269000000000, -0.0014494500000000 ] - [ -0.0023205100000000, -0.0006773700000000, 0.0051380900000000 ] - [ -0.0033976400000000, -0.0026912200000000, -0.0121446200000000 ] - [ 0.0007401800000000, 0.0004512200000000, 0.0048495200000000 ] - [ 0.0010754200000000, -0.0020130100000000, -0.0117043500000000 ] - [ 0.0011269600000000, -0.0008333300000000, 0.0076021000000000 ] - [ 0.0012369600000000, 0.0024839500000000, -0.0036367400000000 ] - [ -0.0012077400000000, -0.0015230000000000, 0.0031767100000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0200824300000000, -0.0189478300000000, -0.0016643100000000 ] - [ 0.0019092700000000, -0.0016307700000000, 0.0002563700000000 ] - [ 0.0104884500000000, -0.0042174600000000, 0.0120735000000000 ] - [ 0.0164969800000000, -0.0014224200000000, -0.0157685600000000 ] - [ 0.0201285300000000, 0.0189748800000000, 0.0017714500000000 ] - [ 0.0018083600000000, 0.0014095800000000, -0.0001655000000000 ] - [ 0.0105908300000000, 0.0044326600000000, -0.0119016200000000 ] - [ 0.0165147800000000, 0.0016366200000000, 0.0156757600000000 ] - [ -0.1436423700000000, -0.0009333500000000, 0.0001416500000000 ] - [ -0.0045009900000000, 0.0000999800000000, -0.0000376600000000 ] - [ -0.0183105700000000, -0.0001221300000000, -0.0000540900000000 ] - [ -0.0183112300000000, -0.0001292000000000, -0.0000109100000000 ] - [ 0.0007921700000000, -0.0137240700000000, 0.0040494500000000 ] - [ -0.0005374000000000, -0.0009947700000000, -0.0003656400000000 ] - [ -0.0004118500000000, -0.0005667200000000, -0.0010078400000000 ] - [ -0.0011914200000000, -0.0001002900000000, 0.0007616000000000 ] - [ 0.0008052500000000, 0.0134832300000000, -0.0039359400000000 ] - [ -0.0006185400000000, 0.0007759200000000, 0.0004435900000000 ] - [ -0.0003292600000000, 0.0008088100000000, 0.0010948300000000 ] - [ -0.0010950500000000, 0.0003308200000000, -0.0006789800000000 ] - [ 0.0028939300000000, 0.0001133300000000, -0.0000378700000000 ] - [ 0.0007543500000000, 0.0001137500000000, -0.0000331000000000 ] - [ 0.0037832500000000, -0.0001278400000000, -0.0000183300000000 ] - [ 0.0037834100000000, -0.0001167300000000, -0.0000344200000000 ] - [ -0.0019138600000000, -0.0000497600000000, -0.0003476800000000 ] - [ -0.0209885200000000, -0.0000121900000000, -0.0002374900000000 ] - [ -0.0038854700000000, 0.0000594400000000, -0.0002731200000000 ] - [ -0.0005864400000000, 0.0000516300000000, -0.0002675100000000 ] - [ 0.0014404400000000, -0.0000500000000000, -0.0002677400000000 ] - [ 0.0031506300000000, -0.0000442200000000, -0.0002775300000000 ] - [ 0.0109998100000000, 0.0000427500000000, -0.0002840300000000 ] - [ 0.0021959100000000, 0.0000478700000000, -0.0002735800000000 ] - [ 0.0120241800000000, 0.0043618900000000, 0.0024654400000000 ] - [ 0.0017586200000000, 0.0013481900000000, -0.0011132600000000 ] - [ 0.0022166000000000, 0.0042901000000000, 0.0014249100000000 ] - [ 0.0009000300000000, 0.0000045500000000, 0.0001667600000000 ] - [ 0.0114545600000000, -0.0047348000000000, -0.0027278700000000 ] - [ 0.0015103000000000, -0.0014486700000000, 0.0011541400000000 ] - [ 0.0024972000000000, -0.0042168700000000, -0.0013771300000000 ] - [ 0.0011064700000000, 0.0001155100000000, -0.0001538700000000 ] - [ 0.0229115000000000, -0.0052716400000000, 0.0031293800000000 ] - [ 0.0017594400000000, 0.0017297800000000, 0.0035501000000000 ] - [ 0.0203397900000000, 0.0062041600000000, 0.0061122900000000 ] - [ 0.0021575000000000, -0.0011889300000000, 0.0041406400000000 ] - [ 0.0236710700000000, 0.0061334600000000, -0.0038404300000000 ] - [ 0.0018144800000000, -0.0015290500000000, -0.0036834000000000 ] - [ 0.0196337100000000, -0.0058805000000000, -0.0055438200000000 ] - [ 0.0020991200000000, 0.0009794700000000, -0.0042602700000000 ] - [ 0.0051370600000000, -0.0000521200000000, 0.0001215300000000 ] - [ 0.0005377400000000, -0.0000757600000000, 0.0001440400000000 ] - [ 0.0019340500000000, 0.0000703000000000, 0.0001394400000000 ] - [ 0.0005329500000000, 0.0000473300000000, 0.0001246300000000 ] - [ 0.0118246500000000, -0.0000725100000000, 0.0002663800000000 ] - [ 0.0032433500000000, 0.0000330500000000, 0.0002073400000000 ] - [ 0.0019880900000000, -0.0000447500000000, 0.0001630300000000 ] - [ 0.0002863700000000, -0.0000368200000000, 0.0002116100000000 ] - [ -0.0018275200000000, 0.0023254500000000, -0.0016013500000000 ] - [ -0.0004157100000000, 0.0001666200000000, 0.0000390700000000 ] - [ -0.0068235500000000, 0.0037181700000000, -0.0019933100000000 ] - [ -0.0018005600000000, 0.0013482200000000, 0.0024028100000000 ] - [ -0.0020311800000000, -0.0024624300000000, 0.0016171300000000 ] - [ -0.0006474700000000, -0.0002831200000000, -0.0000089900000000 ] - [ -0.0065645700000000, -0.0035418300000000, 0.0019848600000000 ] - [ -0.0015411700000000, -0.0012434700000000, -0.0023469200000000 ] - [ -0.0014617100000000, 0.0014847400000000, 0.0002209600000000 ] - [ -0.0006809300000000, -0.0000845600000000, -0.0000641200000000 ] - [ -0.0015577300000000, -0.0014711400000000, 0.0008426800000000 ] - [ -0.0003436900000000, -0.0004237200000000, -0.0002391300000000 ] - [ -0.0014216400000000, -0.0012906300000000, -0.0003555800000000 ] - [ -0.0006403600000000, 0.0002892700000000, -0.0000711400000000 ] - [ -0.0015985000000000, 0.0012735100000000, -0.0009659900000000 ] - [ -0.0003932900000000, 0.0002179600000000, 0.0001091300000000 ] - [ -0.0069057400000000, -0.0000556900000000, 0.0001280100000000 ] - [ -0.0023211900000000, -0.0000704800000000, 0.0001276000000000 ] - [ -0.0085154500000000, 0.0000662000000000, 0.0001239300000000 ] - [ -0.0028485900000000, 0.0000915300000000, 0.0001451900000000 ] - [ -0.0045544200000000, 0.0000272500000000, 0.0001884400000000 ] - [ -0.0009282900000000, 0.0000283000000000, 0.0002130600000000 ] - [ -0.0057960800000000, -0.0000288300000000, 0.0001990900000000 ] - [ -0.0040152900000000, -0.0000381700000000, 0.0001582100000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0167806400000000, 0.0117318900000000, 0.0027315700000000 ] - [ -0.0010186000000000, 0.0006606500000000, 0.0001144500000000 ] - [ 0.0022805500000000, -0.0105576700000000, 0.0031773000000000 ] - [ -0.0003955800000000, -0.0177669100000000, -0.0002795300000000 ] - [ 0.0167806400000000, 0.0117318900000000, 0.0027315700000000 ] - [ 0.0010186000000000, 0.0006606500000000, 0.0001144500000000 ] - [ -0.0022805500000000, -0.0105576700000000, 0.0031773000000000 ] - [ 0.0003955800000000, -0.0177669100000000, -0.0002795300000000 ] - [ 0.0000000000000000, -0.1648530800000000, -0.0083546800000000 ] - [ 0.0000000000000000, -0.0067775700000000, 0.0000715400000000 ] - [ 0.0000000000000000, 0.0109377500000000, 0.0184822000000000 ] - [ 0.0000000000000000, 0.0109561400000000, -0.0203699200000000 ] - [ -0.0150482400000000, 0.0212962000000000, -0.0010228500000000 ] - [ -0.0022699300000000, 0.0015851900000000, 0.0002179300000000 ] - [ -0.0000961300000000, 0.0059941700000000, -0.0000151400000000 ] - [ 0.0001113900000000, 0.0065388300000000, 0.0005123900000000 ] - [ 0.0150482400000000, 0.0212962000000000, -0.0010228500000000 ] - [ 0.0022699300000000, 0.0015851900000000, 0.0002179300000000 ] - [ 0.0000961300000000, 0.0059941700000000, -0.0000151400000000 ] - [ -0.0001113900000000, 0.0065388300000000, 0.0005123900000000 ] - [ 0.0000000000000000, 0.0059203500000000, 0.0000069900000000 ] - [ 0.0000000000000000, 0.0028663000000000, 0.0000817000000000 ] - [ 0.0000000000000000, 0.0005212200000000, -0.0026520100000000 ] - [ 0.0000000000000000, 0.0005208100000000, 0.0026008000000000 ] - [ 0.0000000000000000, 0.0013336300000000, -0.0172946500000000 ] - [ 0.0000000000000000, 0.0143639900000000, 0.0183471900000000 ] - [ 0.0000000000000000, 0.0086741900000000, 0.0000173000000000 ] - [ 0.0000000000000000, 0.0027796000000000, -0.0003655400000000 ] - [ 0.0000000000000000, 0.0010362000000000, 0.0015573700000000 ] - [ 0.0000000000000000, 0.0017573800000000, -0.0015004300000000 ] - [ 0.0000000000000000, -0.0068500700000000, -0.0003846600000000 ] - [ 0.0000000000000000, -0.0019822500000000, 0.0004669600000000 ] - [ 0.0020839600000000, 0.0124807300000000, -0.0032147900000000 ] - [ 0.0030524400000000, 0.0034623200000000, 0.0032365300000000 ] - [ -0.0003314400000000, -0.0057816900000000, -0.0015915900000000 ] - [ 0.0005075800000000, -0.0024253200000000, 0.0008587200000000 ] - [ -0.0020839600000000, 0.0124807300000000, -0.0032147900000000 ] - [ -0.0030524400000000, 0.0034623200000000, 0.0032365300000000 ] - [ 0.0003314400000000, -0.0057816900000000, -0.0015915900000000 ] - [ -0.0005075800000000, -0.0024253200000000, 0.0008587200000000 ] - [ -0.0044863000000000, 0.0251471100000000, -0.0047880700000000 ] - [ 0.0008111800000000, 0.0014846700000000, -0.0033375000000000 ] - [ 0.0051652400000000, 0.0191554700000000, 0.0042740700000000 ] - [ -0.0011109800000000, 0.0028887200000000, 0.0029317600000000 ] - [ 0.0044863000000000, 0.0251471100000000, -0.0047880700000000 ] - [ -0.0008111800000000, 0.0014846700000000, -0.0033375000000000 ] - [ -0.0051652400000000, 0.0191554700000000, 0.0042740700000000 ] - [ 0.0011109800000000, 0.0028887200000000, 0.0029317600000000 ] - [ 0.0000000000000000, -0.0075605000000000, -0.0015613800000000 ] - [ 0.0000000000000000, -0.0032559700000000, 0.0029652200000000 ] - [ 0.0000000000000000, -0.0075242200000000, 0.0005173900000000 ] - [ 0.0000000000000000, -0.0025298200000000, -0.0001012700000000 ] - [ 0.0000000000000000, 0.0089759300000000, 0.0006264700000000 ] - [ 0.0000000000000000, 0.0000028900000000, -0.0059752000000000 ] - [ 0.0000000000000000, -0.0057585100000000, 0.0011656800000000 ] - [ 0.0000000000000000, -0.0031690500000000, -0.0007293500000000 ] - [ 0.0006063900000000, -0.0041252000000000, 0.0013223600000000 ] - [ -0.0000560500000000, -0.0016978400000000, -0.0002422700000000 ] - [ 0.0042925200000000, 0.0030554200000000, 0.0028496400000000 ] - [ 0.0011221000000000, 0.0023501900000000, -0.0002826600000000 ] - [ -0.0006063900000000, -0.0041252000000000, 0.0013223600000000 ] - [ 0.0000560500000000, -0.0016978400000000, -0.0002422700000000 ] - [ -0.0042925200000000, 0.0030554200000000, 0.0028496400000000 ] - [ -0.0011221000000000, 0.0023501900000000, -0.0002826600000000 ] - [ 0.0024567700000000, -0.0040349000000000, -0.0022554300000000 ] - [ 0.0000882200000000, -0.0012061500000000, 0.0001452800000000 ] - [ -0.0016253900000000, -0.0034745200000000, 0.0016363800000000 ] - [ -0.0000903600000000, -0.0014947100000000, -0.0003563100000000 ] - [ -0.0024567700000000, -0.0040349000000000, -0.0022554300000000 ] - [ -0.0000882200000000, -0.0012061500000000, 0.0001452800000000 ] - [ 0.0016253900000000, -0.0034745200000000, 0.0016363800000000 ] - [ 0.0000903600000000, -0.0014947100000000, -0.0003563100000000 ] - [ 0.0000000000000000, 0.0010955700000000, 0.0025992200000000 ] - [ 0.0000000000000000, -0.0002694400000000, -0.0003391100000000 ] - [ 0.0000000000000000, 0.0044984600000000, -0.0001862400000000 ] - [ 0.0000000000000000, 0.0015430200000000, -0.0002686900000000 ] - [ 0.0000000000000000, -0.0031237200000000, -0.0015428700000000 ] - [ 0.0000000000000000, -0.0009276700000000, 0.0008303300000000 ] - [ 0.0000000000000000, 0.0031843500000000, -0.0012068100000000 ] - [ 0.0000000000000000, 0.0030807700000000, -0.0007480500000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0167423000000000, -0.0119967400000000, -0.0026307400000000 ] - [ 0.0011118400000000, -0.0009016500000000, -0.0000333800000000 ] - [ -0.0024181800000000, 0.0108753400000000, -0.0031643400000000 ] - [ 0.0002684300000000, 0.0180973400000000, 0.0004117700000000 ] - [ -0.0167423000000000, -0.0119967400000000, -0.0026307400000000 ] - [ -0.0011118400000000, -0.0009016500000000, -0.0000333800000000 ] - [ 0.0024181800000000, 0.0108753400000000, -0.0031643400000000 ] - [ -0.0002684300000000, 0.0180973400000000, 0.0004117700000000 ] - [ 0.0000000000000000, 0.1649230400000000, 0.0085403600000000 ] - [ 0.0000000000000000, 0.0070491500000000, -0.0001569500000000 ] - [ 0.0000000000000000, -0.0112071500000000, -0.0184475700000000 ] - [ 0.0000000000000000, -0.0111915600000000, 0.0201773600000000 ] - [ 0.0153639700000000, -0.0217954900000000, 0.0011274000000000 ] - [ 0.0023693500000000, -0.0018155800000000, -0.0001359500000000 ] - [ 0.0000046100000000, -0.0057947100000000, 0.0001203900000000 ] - [ -0.0002143500000000, -0.0063530700000000, -0.0004451500000000 ] - [ -0.0153639700000000, -0.0217954900000000, 0.0011274000000000 ] - [ -0.0023693500000000, -0.0018155800000000, -0.0001359500000000 ] - [ -0.0000046100000000, -0.0057947100000000, 0.0001203900000000 ] - [ 0.0002143500000000, -0.0063530700000000, -0.0004451500000000 ] - [ 0.0000000000000000, -0.0057447500000000, -0.0000896100000000 ] - [ 0.0000000000000000, -0.0026645100000000, -0.0001591900000000 ] - [ 0.0000000000000000, -0.0007322000000000, 0.0025939900000000 ] - [ 0.0000000000000000, -0.0007300400000000, -0.0026983000000000 ] - [ 0.0000000000000000, -0.0014747500000000, 0.0169360000000000 ] - [ 0.0000000000000000, -0.0145578200000000, -0.0190843700000000 ] - [ 0.0000000000000000, -0.0085739700000000, -0.0005386800000000 ] - [ 0.0000000000000000, -0.0026966800000000, -0.0001578500000000 ] - [ 0.0000000000000000, -0.0011677900000000, -0.0020957700000000 ] - [ 0.0000000000000000, -0.0018841600000000, 0.0009890500000000 ] - [ 0.0000000000000000, 0.0070088300000000, -0.0001403000000000 ] - [ 0.0000000000000000, 0.0020985200000000, -0.0009996800000000 ] - [ -0.0016021300000000, -0.0129077400000000, 0.0030215700000000 ] - [ -0.0028754000000000, -0.0036237100000000, -0.0032449200000000 ] - [ 0.0001268400000000, 0.0059202900000000, 0.0016054500000000 ] - [ -0.0007125700000000, 0.0025725900000000, -0.0008419300000000 ] - [ 0.0016021300000000, -0.0129077400000000, 0.0030215700000000 ] - [ 0.0028754000000000, -0.0036237100000000, -0.0032449200000000 ] - [ -0.0001268400000000, 0.0059202900000000, 0.0016054500000000 ] - [ 0.0007125700000000, 0.0025725900000000, -0.0008419300000000 ] - [ 0.0036950100000000, -0.0242466900000000, 0.0040342000000000 ] - [ -0.0008691500000000, -0.0012856000000000, 0.0032458100000000 ] - [ -0.0046525700000000, -0.0190375400000000, -0.0039572500000000 ] - [ 0.0011709800000000, -0.0031092600000000, -0.0030700600000000 ] - [ -0.0036950100000000, -0.0242466900000000, 0.0040342000000000 ] - [ 0.0008691500000000, -0.0012856000000000, 0.0032458100000000 ] - [ 0.0046525700000000, -0.0190375400000000, -0.0039572500000000 ] - [ -0.0011709800000000, -0.0031092600000000, -0.0030700600000000 ] - [ 0.0000000000000000, 0.0074596900000000, 0.0018539100000000 ] - [ 0.0000000000000000, 0.0031593900000000, -0.0027298000000000 ] - [ 0.0000000000000000, 0.0077126200000000, -0.0002666900000000 ] - [ 0.0000000000000000, 0.0026501000000000, 0.0003536400000000 ] - [ 0.0000000000000000, -0.0097900500000000, 0.0003745700000000 ] - [ 0.0000000000000000, 0.0000583000000000, 0.0063777300000000 ] - [ 0.0000000000000000, 0.0057097900000000, -0.0007842500000000 ] - [ 0.0000000000000000, 0.0031360100000000, 0.0011325900000000 ] - [ -0.0004030200000000, 0.0040357000000000, -0.0013148300000000 ] - [ 0.0002908800000000, 0.0016019200000000, 0.0002751700000000 ] - [ -0.0045346700000000, -0.0029672500000000, -0.0028576500000000 ] - [ -0.0013586400000000, -0.0022508800000000, 0.0003150800000000 ] - [ 0.0004030200000000, 0.0040357000000000, -0.0013148300000000 ] - [ -0.0002908800000000, 0.0016019200000000, 0.0002751700000000 ] - [ 0.0045346700000000, -0.0029672500000000, -0.0028576500000000 ] - [ 0.0013586400000000, -0.0022508800000000, 0.0003150800000000 ] - [ -0.0025437700000000, 0.0042692400000000, 0.0021522400000000 ] - [ -0.0001510600000000, 0.0014140900000000, -0.0002771600000000 ] - [ 0.0017048300000000, 0.0032900700000000, -0.0017805200000000 ] - [ 0.0001532400000000, 0.0012959900000000, 0.0002341400000000 ] - [ 0.0025437700000000, 0.0042692400000000, 0.0021522400000000 ] - [ 0.0001510600000000, 0.0014140900000000, -0.0002771600000000 ] - [ -0.0017048300000000, 0.0032900700000000, -0.0017805200000000 ] - [ -0.0001532400000000, 0.0012959900000000, 0.0002341400000000 ] - [ 0.0000000000000000, -0.0012017400000000, -0.0023674500000000 ] - [ 0.0000000000000000, 0.0001375700000000, 0.0006134700000000 ] - [ 0.0000000000000000, -0.0044254900000000, 0.0004224500000000 ] - [ 0.0000000000000000, -0.0014113700000000, 0.0005363400000000 ] - [ 0.0000000000000000, 0.0032184300000000, 0.0019179100000000 ] - [ 0.0000000000000000, 0.0009950800000000, -0.0004233600000000 ] - [ 0.0000000000000000, -0.0032636300000000, 0.0016221100000000 ] - [ 0.0000000000000000, -0.0031721700000000, 0.0011196400000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0014425400000000, 0.0033563500000000, -0.0194063900000000 ] - [ 0.0001329100000000, -0.0003486300000000, 0.0061958100000000 ] - [ 0.0117403900000000, -0.0044165500000000, 0.0114435300000000 ] - [ -0.0155122000000000, 0.0007558800000000, 0.0117667300000000 ] - [ 0.0014425400000000, 0.0033563500000000, -0.0194063900000000 ] - [ -0.0001329100000000, -0.0003486300000000, 0.0061958100000000 ] - [ -0.0117403900000000, -0.0044165500000000, 0.0114435300000000 ] - [ 0.0155122000000000, 0.0007558800000000, 0.0117667300000000 ] - [ 0.0000000000000000, -0.0090472700000000, -0.1515596000000000 ] - [ 0.0000000000000000, 0.0002160400000000, 0.0113230600000000 ] - [ 0.0000000000000000, 0.0203043700000000, 0.0193537000000000 ] - [ 0.0000000000000000, -0.0184666300000000, 0.0192102000000000 ] - [ 0.0026257600000000, -0.0009899900000000, -0.0146260100000000 ] - [ 0.0000921300000000, 0.0002714300000000, 0.0055204100000000 ] - [ -0.0014467800000000, 0.0006451800000000, 0.0005295800000000 ] - [ 0.0012232600000000, 0.0003588400000000, 0.0008430000000000 ] - [ -0.0026257600000000, -0.0009899900000000, -0.0146260100000000 ] - [ -0.0000921300000000, 0.0002714300000000, 0.0055204100000000 ] - [ 0.0014467800000000, 0.0006451800000000, 0.0005295800000000 ] - [ -0.0012232600000000, 0.0003588400000000, 0.0008430000000000 ] - [ 0.0000000000000000, 0.0001560200000000, -0.0026805100000000 ] - [ 0.0000000000000000, 0.0002293200000000, 0.0022273000000000 ] - [ 0.0000000000000000, -0.0027609100000000, 0.0009557500000000 ] - [ 0.0000000000000000, 0.0025203000000000, 0.0009664100000000 ] - [ 0.0000000000000000, -0.0065661000000000, 0.0116808200000000 ] - [ 0.0000000000000000, 0.0194336800000000, 0.0151397700000000 ] - [ 0.0000000000000000, 0.0005784300000000, -0.0054637200000000 ] - [ 0.0000000000000000, -0.0004558300000000, 0.0031502800000000 ] - [ 0.0000000000000000, 0.0018759600000000, -0.0003494000000000 ] - [ 0.0000000000000000, -0.0022926200000000, 0.0005294500000000 ] - [ 0.0000000000000000, -0.0006829300000000, -0.0082391700000000 ] - [ 0.0000000000000000, 0.0002582300000000, 0.0047726800000000 ] - [ 0.0019326100000000, -0.0055171900000000, 0.0090527000000000 ] - [ -0.0000930900000000, 0.0015429900000000, -0.0052695400000000 ] - [ 0.0010220700000000, -0.0035352700000000, 0.0022323100000000 ] - [ -0.0009884400000000, 0.0014212900000000, -0.0022406700000000 ] - [ -0.0019326100000000, -0.0055171900000000, 0.0090527000000000 ] - [ 0.0000930900000000, 0.0015429900000000, -0.0052695400000000 ] - [ -0.0010220700000000, -0.0035352700000000, 0.0022323100000000 ] - [ 0.0009884400000000, 0.0014212900000000, -0.0022406700000000 ] - [ 0.0012670900000000, -0.0029949200000000, 0.0212413800000000 ] - [ 0.0011052000000000, -0.0003261900000000, -0.0078060800000000 ] - [ 0.0055834600000000, 0.0054536000000000, 0.0236186800000000 ] - [ 0.0007880400000000, 0.0007468900000000, -0.0076118100000000 ] - [ -0.0012670900000000, -0.0029949200000000, 0.0212413800000000 ] - [ -0.0011052000000000, -0.0003261900000000, -0.0078060800000000 ] - [ -0.0055834600000000, 0.0054536000000000, 0.0236186800000000 ] - [ -0.0007880400000000, 0.0007468900000000, -0.0076118100000000 ] - [ 0.0000000000000000, -0.0057704000000000, 0.0019705300000000 ] - [ 0.0000000000000000, 0.0018916100000000, -0.0024507200000000 ] - [ 0.0000000000000000, 0.0011544600000000, 0.0018860400000000 ] - [ 0.0000000000000000, -0.0000410900000000, -0.0014571900000000 ] - [ 0.0000000000000000, 0.0013050900000000, 0.0127984200000000 ] - [ 0.0000000000000000, -0.0012295200000000, -0.0068285000000000 ] - [ 0.0000000000000000, 0.0024364500000000, 0.0023898400000000 ] - [ 0.0000000000000000, -0.0021959100000000, -0.0027200000000000 ] - [ -0.0005949300000000, 0.0001946500000000, 0.0021119900000000 ] - [ 0.0003387600000000, -0.0003684000000000, -0.0012162100000000 ] - [ -0.0026871400000000, 0.0033604300000000, 0.0029699200000000 ] - [ 0.0006083000000000, -0.0016711800000000, -0.0037393000000000 ] - [ 0.0005949300000000, 0.0001946500000000, 0.0021119900000000 ] - [ -0.0003387600000000, -0.0003684000000000, -0.0012162100000000 ] - [ 0.0026871400000000, 0.0033604300000000, 0.0029699200000000 ] - [ -0.0006083000000000, -0.0016711800000000, -0.0037393000000000 ] - [ 0.0001076100000000, -0.0007923700000000, 0.0021926800000000 ] - [ -0.0000220000000000, 0.0003205700000000, -0.0015694200000000 ] - [ -0.0001397000000000, 0.0000353300000000, 0.0013268900000000 ] - [ -0.0000547800000000, -0.0003053300000000, -0.0013193000000000 ] - [ -0.0001076100000000, -0.0007923700000000, 0.0021926800000000 ] - [ 0.0000220000000000, 0.0003205700000000, -0.0015694200000000 ] - [ 0.0001397000000000, 0.0000353300000000, 0.0013268900000000 ] - [ 0.0000547800000000, -0.0003053300000000, -0.0013193000000000 ] - [ 0.0000000000000000, 0.0025045700000000, 0.0024507800000000 ] - [ 0.0000000000000000, -0.0020856600000000, -0.0020220600000000 ] - [ 0.0000000000000000, -0.0008874500000000, 0.0032548300000000 ] - [ 0.0000000000000000, 0.0011449200000000, -0.0032978600000000 ] - [ 0.0000000000000000, 0.0003802200000000, 0.0013819900000000 ] - [ 0.0000000000000000, 0.0001939900000000, -0.0009908700000000 ] - [ 0.0000000000000000, -0.0007944200000000, 0.0039135400000000 ] - [ 0.0000000000000000, 0.0022982200000000, -0.0037775800000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0015690700000000, -0.0036123000000000, 0.0194003400000000 ] - [ -0.0000593100000000, 0.0001417800000000, -0.0060970300000000 ] - [ -0.0117162500000000, 0.0046207600000000, -0.0113104900000000 ] - [ 0.0155442000000000, -0.0005361500000000, -0.0116831400000000 ] - [ -0.0015690700000000, -0.0036123000000000, 0.0194003400000000 ] - [ 0.0000593100000000, 0.0001417800000000, -0.0060970300000000 ] - [ 0.0117162500000000, 0.0046207600000000, -0.0113104900000000 ] - [ -0.0155442000000000, -0.0005361500000000, -0.0116831400000000 ] - [ 0.0000000000000000, 0.0078667200000000, 0.1514944500000000 ] - [ 0.0000000000000000, -0.0000124200000000, -0.0113771300000000 ] - [ 0.0000000000000000, -0.0202453800000000, -0.0192579000000000 ] - [ 0.0000000000000000, 0.0184617900000000, -0.0194018400000000 ] - [ -0.0025676500000000, 0.0008355800000000, 0.0146629600000000 ] - [ 0.0000021500000000, -0.0005034500000000, -0.0054198900000000 ] - [ 0.0013545400000000, -0.0004148400000000, -0.0004513000000000 ] - [ -0.0013137000000000, -0.0001311800000000, -0.0007495400000000 ] - [ 0.0025676500000000, 0.0008355800000000, 0.0146629600000000 ] - [ -0.0000021500000000, -0.0005034500000000, -0.0054198900000000 ] - [ -0.0013545400000000, -0.0004148400000000, -0.0004513000000000 ] - [ 0.0013137000000000, -0.0001311800000000, -0.0007495400000000 ] - [ 0.0000000000000000, 0.0000592000000000, 0.0025887900000000 ] - [ 0.0000000000000000, -0.0000081400000000, -0.0022989500000000 ] - [ 0.0000000000000000, 0.0025357600000000, -0.0010431200000000 ] - [ 0.0000000000000000, -0.0027289100000000, -0.0010321500000000 ] - [ 0.0000000000000000, 0.0063831900000000, -0.0121538600000000 ] - [ 0.0000000000000000, -0.0196896400000000, -0.0156884500000000 ] - [ 0.0000000000000000, -0.0004791900000000, 0.0049320300000000 ] - [ 0.0000000000000000, 0.0005589700000000, -0.0036370100000000 ] - [ 0.0000000000000000, -0.0019740700000000, -0.0001760200000000 ] - [ 0.0000000000000000, 0.0021778200000000, -0.0010271100000000 ] - [ 0.0000000000000000, 0.0007840900000000, 0.0076976900000000 ] - [ 0.0000000000000000, -0.0001611400000000, -0.0052663800000000 ] - [ -0.0014494200000000, 0.0051329300000000, -0.0094151500000000 ] - [ 0.0003061000000000, -0.0016450700000000, 0.0052794600000000 ] - [ -0.0012426100000000, 0.0036340400000000, -0.0021882200000000 ] - [ 0.0007819300000000, -0.0012994000000000, 0.0022463200000000 ] - [ 0.0014494200000000, 0.0051329300000000, -0.0094151500000000 ] - [ -0.0003061000000000, -0.0016450700000000, 0.0052794600000000 ] - [ 0.0012426100000000, 0.0036340400000000, -0.0021882200000000 ] - [ -0.0007819300000000, -0.0012994000000000, 0.0022463200000000 ] - [ -0.0018678700000000, 0.0036916200000000, -0.0218182200000000 ] - [ -0.0011517200000000, 0.0005282400000000, 0.0076452800000000 ] - [ -0.0047776800000000, -0.0051150500000000, -0.0230176800000000 ] - [ -0.0007506700000000, -0.0009657600000000, 0.0074791500000000 ] - [ 0.0018678700000000, 0.0036916200000000, -0.0218182200000000 ] - [ 0.0011517200000000, 0.0005282400000000, 0.0076452800000000 ] - [ 0.0047776800000000, -0.0051150500000000, -0.0230176800000000 ] - [ 0.0007506700000000, -0.0009657600000000, 0.0074791500000000 ] - [ 0.0000000000000000, 0.0056240600000000, -0.0017090000000000 ] - [ 0.0000000000000000, -0.0020026800000000, 0.0027047800000000 ] - [ 0.0000000000000000, -0.0010254500000000, -0.0016199900000000 ] - [ 0.0000000000000000, 0.0001441100000000, 0.0016945700000000 ] - [ 0.0000000000000000, -0.0016458200000000, -0.0121176200000000 ] - [ 0.0000000000000000, 0.0013032300000000, 0.0071712100000000 ] - [ 0.0000000000000000, -0.0024962100000000, -0.0020226300000000 ] - [ 0.0000000000000000, 0.0021283800000000, 0.0031140600000000 ] - [ 0.0008025100000000, -0.0003092600000000, -0.0020883700000000 ] - [ -0.0001066400000000, 0.0002493600000000, 0.0012509000000000 ] - [ 0.0024784100000000, -0.0032168400000000, -0.0029336700000000 ] - [ -0.0008314800000000, 0.0017897200000000, 0.0037481000000000 ] - [ -0.0008025100000000, -0.0003092600000000, -0.0020883700000000 ] - [ 0.0001066400000000, 0.0002493600000000, 0.0012509000000000 ] - [ -0.0024784100000000, -0.0032168400000000, -0.0029336700000000 ] - [ 0.0008314800000000, 0.0017897200000000, 0.0037481000000000 ] - [ -0.0001659100000000, 0.0009874900000000, -0.0023171800000000 ] - [ -0.0000409000000000, -0.0001147300000000, 0.0014408800000000 ] - [ 0.0002023800000000, -0.0002428400000000, -0.0014472100000000 ] - [ 0.0001173800000000, 0.0001001400000000, 0.0011826100000000 ] - [ 0.0001659100000000, 0.0009874900000000, -0.0023171800000000 ] - [ 0.0000409000000000, -0.0001147300000000, 0.0014408800000000 ] - [ -0.0002023800000000, -0.0002428400000000, -0.0014472100000000 ] - [ -0.0001173800000000, 0.0001001400000000, 0.0011826100000000 ] - [ 0.0000000000000000, -0.0026154300000000, -0.0022005400000000 ] - [ 0.0000000000000000, 0.0019333900000000, 0.0022883700000000 ] - [ 0.0000000000000000, 0.0009793300000000, -0.0030017700000000 ] - [ 0.0000000000000000, -0.0010043700000000, 0.0035449200000000 ] - [ 0.0000000000000000, -0.0003162500000000, -0.0010124800000000 ] - [ 0.0000000000000000, -0.0001394300000000, 0.0013740100000000 ] - [ 0.0000000000000000, 0.0007420000000000, -0.0034993300000000 ] - [ 0.0000000000000000, -0.0023470900000000, 0.0041405200000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0008784000000000, -0.0008396000000000, 0.0007847500000000 ] - [ 0.0013437000000000, -0.0012393600000000, -0.0012745900000000 ] - [ 0.0158746700000000, 0.0156774000000000, -0.0062267400000000 ] - [ 0.0000673600000000, 0.0007037100000000, 0.0007398000000000 ] - [ 0.0007753100000000, 0.0006124500000000, -0.0007047300000000 ] - [ 0.0012405200000000, 0.0010032800000000, 0.0013579600000000 ] - [ 0.0159268200000000, -0.0153436700000000, 0.0063619300000000 ] - [ 0.0001705300000000, -0.0004758500000000, -0.0006673300000000 ] - [ -0.0019156100000000, 0.0001009600000000, -0.0000244400000000 ] - [ -0.0209902200000000, 0.0000718900000000, -0.0000693300000000 ] - [ -0.0038863500000000, -0.0001154500000000, -0.0000347200000000 ] - [ -0.0005869700000000, -0.0001122200000000, -0.0000393100000000 ] - [ 0.0000977800000000, -0.0027837000000000, -0.0085351200000000 ] - [ 0.0041623600000000, -0.0136231100000000, 0.0178553200000000 ] - [ -0.0010776200000000, 0.0053042400000000, -0.0002373900000000 ] - [ -0.0007401100000000, 0.0005661000000000, -0.0004053000000000 ] - [ 0.0000786600000000, 0.0025392100000000, 0.0085733000000000 ] - [ 0.0041147000000000, 0.0133926000000000, -0.0176873900000000 ] - [ -0.0010449400000000, -0.0050956800000000, 0.0003159500000000 ] - [ -0.0006608900000000, -0.0003410700000000, 0.0004823700000000 ] - [ 0.0014386600000000, 0.0001081800000000, -0.0000462000000000 ] - [ 0.0031516900000000, 0.0001050900000000, -0.0000288800000000 ] - [ 0.0109991100000000, -0.0001247100000000, -0.0000356300000000 ] - [ 0.0021953000000000, -0.0001102400000000, -0.0000411600000000 ] - [ -0.1722994300000000, -0.0020087900000000, -0.0028430000000000 ] - [ -0.0000525400000000, -0.0000490800000000, -0.0002605900000000 ] - [ -0.0002667200000000, 0.0000581900000000, -0.0002624100000000 ] - [ -0.0002681900000000, 0.0000545100000000, -0.0002775100000000 ] - [ 0.0008228900000000, -0.0000489600000000, -0.0002609700000000 ] - [ 0.0002531000000000, -0.0000511400000000, -0.0002522000000000 ] - [ 0.0051239100000000, 0.0000685800000000, -0.0002702400000000 ] - [ 0.0051239800000000, 0.0000464400000000, -0.0002535300000000 ] - [ 0.0008539100000000, -0.0000371500000000, -0.0002503400000000 ] - [ 0.0651539500000000, 0.0267259800000000, 0.0323245700000000 ] - [ 0.0002145900000000, 0.0002677200000000, -0.0000965700000000 ] - [ 0.0001826500000000, 0.0001777500000000, 0.0001077900000000 ] - [ 0.0006170900000000, -0.0000769700000000, 0.0002710100000000 ] - [ 0.0624551000000000, -0.0250594700000000, -0.0300843800000000 ] - [ 0.0004507200000000, -0.0001550100000000, 0.0001201600000000 ] - [ 0.0003807600000000, -0.0000439200000000, -0.0001045800000000 ] - [ 0.0001402100000000, 0.0002337900000000, -0.0004307200000000 ] - [ 0.0018711900000000, 0.0056869500000000, 0.0013252100000000 ] - [ 0.0014813400000000, -0.0026039400000000, 0.0021575800000000 ] - [ 0.0015591400000000, 0.0000165400000000, 0.0002155700000000 ] - [ 0.0002062800000000, -0.0000274600000000, 0.0003021600000000 ] - [ 0.0019363700000000, -0.0054805400000000, -0.0014621000000000 ] - [ 0.0014102000000000, 0.0024009000000000, -0.0022885700000000 ] - [ 0.0014979300000000, -0.0002181700000000, -0.0003393200000000 ] - [ 0.0004458300000000, -0.0000736800000000, 0.0001320200000000 ] - [ 0.0187103600000000, 0.0001924700000000, 0.0000071800000000 ] - [ 0.0015607500000000, 0.0000573300000000, 0.0001214200000000 ] - [ 0.0016868700000000, 0.0000435600000000, 0.0001259400000000 ] - [ 0.0134425200000000, -0.0000440900000000, 0.0005968100000000 ] - [ 0.0038653500000000, 0.0000333900000000, 0.0001929100000000 ] - [ 0.0002696600000000, -0.0000365900000000, 0.0001904700000000 ] - [ 0.0003666100000000, -0.0000389000000000, 0.0002156400000000 ] - [ -0.0000993000000000, 0.0000091200000000, -0.0000311300000000 ] - [ -0.0004666500000000, -0.0004140500000000, 0.0000396700000000 ] - [ -0.0058508800000000, -0.0003214600000000, 0.0050049900000000 ] - [ -0.0026648600000000, -0.0002242500000000, -0.0024935200000000 ] - [ -0.0002859600000000, -0.0001483900000000, 0.0000310100000000 ] - [ -0.0006884300000000, 0.0003030000000000, -0.0000131400000000 ] - [ -0.0056208300000000, 0.0004352400000000, -0.0049486300000000 ] - [ -0.0024432500000000, 0.0003337400000000, 0.0025351600000000 ] - [ -0.0004231900000000, 0.0002164600000000, 0.0000601100000000 ] - [ -0.0036331800000000, 0.0042571500000000, -0.0005614400000000 ] - [ -0.0015067600000000, -0.0015259300000000, -0.0010354800000000 ] - [ -0.0023582900000000, -0.0020518600000000, 0.0017255400000000 ] - [ -0.0003717000000000, -0.0000160500000000, -0.0001856500000000 ] - [ -0.0035738700000000, -0.0040199800000000, 0.0004125500000000 ] - [ -0.0015581500000000, 0.0013409700000000, 0.0009206600000000 ] - [ -0.0024120900000000, 0.0018471800000000, -0.0018631300000000 ] - [ -0.0002842200000000, -0.0000430900000000, 0.0001174200000000 ] - [ -0.0028927000000000, -0.0000785900000000, 0.0001322100000000 ] - [ -0.0035831600000000, 0.0000389000000000, 0.0001186100000000 ] - [ -0.0008678500000000, 0.0000812600000000, 0.0001377900000000 ] - [ -0.0003770400000000, 0.0000351700000000, 0.0001924700000000 ] - [ -0.0005144100000000, 0.0000333300000000, 0.0002194000000000 ] - [ -0.0010163300000000, -0.0000337600000000, 0.0002246300000000 ] - [ -0.0073161600000000, -0.0000448100000000, 0.0001773700000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002439900000000, 0.0034078300000000, -0.0006670100000000 ] - [ -0.0009664800000000, 0.0038284400000000, 0.0009279500000000 ] - [ 0.0113841800000000, 0.0081655100000000, -0.0031434000000000 ] - [ 0.0002864700000000, -0.0002028200000000, 0.0005836600000000 ] - [ 0.0002439900000000, 0.0034078300000000, -0.0006670100000000 ] - [ 0.0009664800000000, 0.0038284400000000, 0.0009279500000000 ] - [ -0.0113841800000000, 0.0081655100000000, -0.0031434000000000 ] - [ -0.0002864700000000, -0.0002028200000000, 0.0005836600000000 ] - [ 0.0000000000000000, 0.0014956300000000, -0.0065243900000000 ] - [ 0.0000000000000000, 0.0145881500000000, 0.0196193800000000 ] - [ 0.0000000000000000, 0.0085274500000000, -0.0005541800000000 ] - [ 0.0000000000000000, 0.0026271400000000, 0.0004678900000000 ] - [ -0.0015872200000000, -0.0063821500000000, 0.0045335400000000 ] - [ -0.0094792900000000, -0.0143858000000000, -0.0098584700000000 ] - [ 0.0115911600000000, 0.0139800900000000, 0.0036185600000000 ] - [ 0.0011580200000000, 0.0004378700000000, -0.0006586800000000 ] - [ 0.0015872200000000, -0.0063821500000000, 0.0045335400000000 ] - [ 0.0094792900000000, -0.0143858000000000, -0.0098584700000000 ] - [ -0.0115911600000000, 0.0139800900000000, 0.0036185600000000 ] - [ -0.0011580200000000, 0.0004378700000000, -0.0006586800000000 ] - [ 0.0000000000000000, 0.0012175300000000, 0.0018870400000000 ] - [ 0.0000000000000000, 0.0019348300000000, -0.0022637900000000 ] - [ 0.0000000000000000, -0.0070181200000000, 0.0006977900000000 ] - [ 0.0000000000000000, -0.0021441300000000, -0.0002434300000000 ] - [ 0.0000000000000000, -0.1782512000000000, 0.0046634900000000 ] - [ 0.0000000000000000, -0.0014452100000000, -0.0002574300000000 ] - [ 0.0000000000000000, 0.0046233500000000, 0.0010657800000000 ] - [ 0.0000000000000000, 0.0046557400000000, -0.0040023800000000 ] - [ 0.0000000000000000, 0.0031291900000000, 0.0001790700000000 ] - [ 0.0000000000000000, 0.0009930300000000, -0.0001793800000000 ] - [ 0.0000000000000000, -0.0001672200000000, -0.0011661300000000 ] - [ 0.0000000000000000, -0.0001638700000000, 0.0027672400000000 ] - [ -0.0000195900000000, 0.0008607400000000, 0.0000712000000000 ] - [ 0.0284116700000000, 0.0310026600000000, 0.0171279100000000 ] - [ -0.0006329000000000, -0.0039562100000000, -0.0008596300000000 ] - [ -0.0008811900000000, -0.0017025600000000, 0.0004128400000000 ] - [ 0.0000195900000000, 0.0008607400000000, 0.0000712000000000 ] - [ -0.0284116700000000, 0.0310026600000000, 0.0171279100000000 ] - [ 0.0006329000000000, -0.0039562100000000, -0.0008596300000000 ] - [ 0.0008811900000000, -0.0017025600000000, 0.0004128400000000 ] - [ 0.0000074900000000, -0.0005609400000000, 0.0002980000000000 ] - [ 0.0013685200000000, -0.0042812400000000, -0.0010503600000000 ] - [ -0.0006562500000000, -0.0039932100000000, 0.0026870100000000 ] - [ -0.0014532900000000, -0.0016794700000000, -0.0020709700000000 ] - [ -0.0000074900000000, -0.0005609400000000, 0.0002980000000000 ] - [ -0.0013685200000000, -0.0042812400000000, -0.0010503600000000 ] - [ 0.0006562500000000, -0.0039932100000000, 0.0026870100000000 ] - [ 0.0014532900000000, -0.0016794700000000, -0.0020709700000000 ] - [ 0.0000000000000000, 0.0019133700000000, 0.0000497800000000 ] - [ 0.0000000000000000, 0.0810957800000000, -0.0272512900000000 ] - [ 0.0000000000000000, -0.0037183600000000, -0.0073855500000000 ] - [ 0.0000000000000000, -0.0013297500000000, 0.0054469100000000 ] - [ 0.0000000000000000, 0.0174079800000000, -0.0150187500000000 ] - [ 0.0000000000000000, 0.0038297100000000, -0.0013290900000000 ] - [ 0.0000000000000000, -0.0014764100000000, -0.0013648300000000 ] - [ 0.0000000000000000, -0.0066879700000000, 0.0007630700000000 ] - [ -0.0001334300000000, -0.0012445600000000, 0.0001746500000000 ] - [ -0.0013395000000000, -0.0032381600000000, 0.0014585600000000 ] - [ -0.0012349000000000, 0.0026265300000000, 0.0017813100000000 ] - [ 0.0004747400000000, 0.0027913300000000, -0.0008495300000000 ] - [ 0.0001334300000000, -0.0012445600000000, 0.0001746500000000 ] - [ 0.0013395000000000, -0.0032381600000000, 0.0014585600000000 ] - [ 0.0012349000000000, 0.0026265300000000, 0.0017813100000000 ] - [ -0.0004747400000000, 0.0027913300000000, -0.0008495300000000 ] - [ -0.0000872700000000, 0.0010311800000000, -0.0000083900000000 ] - [ 0.0045333500000000, 0.0019282300000000, 0.0013702100000000 ] - [ -0.0022778100000000, 0.0013943100000000, -0.0025702200000000 ] - [ 0.0000902300000000, 0.0002645900000000, 0.0008433700000000 ] - [ 0.0000872700000000, 0.0010311800000000, -0.0000083900000000 ] - [ -0.0045333500000000, 0.0019282300000000, 0.0013702100000000 ] - [ 0.0022778100000000, 0.0013943100000000, -0.0025702200000000 ] - [ -0.0000902300000000, 0.0002645900000000, 0.0008433700000000 ] - [ 0.0000000000000000, -0.0008540500000000, 0.0002718700000000 ] - [ 0.0000000000000000, -0.0029259500000000, -0.0006408800000000 ] - [ 0.0000000000000000, -0.0006290200000000, 0.0016853100000000 ] - [ 0.0000000000000000, -0.0000038400000000, -0.0002908500000000 ] - [ 0.0000000000000000, -0.0014342500000000, -0.0002726300000000 ] - [ 0.0000000000000000, -0.0015319500000000, 0.0003197100000000 ] - [ 0.0000000000000000, 0.0004700700000000, 0.0008604500000000 ] - [ 0.0000000000000000, 0.0010880100000000, -0.0003040100000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003256000000000, -0.0036346800000000, 0.0007364800000000 ] - [ 0.0010600000000000, -0.0040560700000000, -0.0008365400000000 ] - [ -0.0114017100000000, -0.0079819500000000, 0.0032500600000000 ] - [ -0.0003783500000000, 0.0004126900000000, -0.0005007700000000 ] - [ -0.0003256000000000, -0.0036346800000000, 0.0007364800000000 ] - [ -0.0010600000000000, -0.0040560700000000, -0.0008365400000000 ] - [ 0.0114017100000000, -0.0079819500000000, 0.0032500600000000 ] - [ 0.0003783500000000, 0.0004126900000000, -0.0005007700000000 ] - [ 0.0000000000000000, -0.0013119600000000, 0.0064184400000000 ] - [ 0.0000000000000000, -0.0143282800000000, -0.0195126100000000 ] - [ 0.0000000000000000, -0.0087150900000000, 0.0004961400000000 ] - [ 0.0000000000000000, -0.0028496300000000, -0.0005494100000000 ] - [ 0.0016756100000000, 0.0062333400000000, -0.0044272100000000 ] - [ 0.0095525400000000, 0.0142396400000000, 0.0099207900000000 ] - [ -0.0117406000000000, -0.0138482200000000, -0.0034897900000000 ] - [ -0.0012519900000000, -0.0002052500000000, 0.0007301300000000 ] - [ -0.0016756100000000, 0.0062333400000000, -0.0044272100000000 ] - [ -0.0095525400000000, 0.0142396400000000, 0.0099207900000000 ] - [ 0.0117406000000000, -0.0138482200000000, -0.0034897900000000 ] - [ 0.0012519900000000, -0.0002052500000000, 0.0007301300000000 ] - [ 0.0000000000000000, -0.0009927000000000, -0.0019707700000000 ] - [ 0.0000000000000000, -0.0017092800000000, 0.0022010700000000 ] - [ 0.0000000000000000, 0.0068367300000000, -0.0007758400000000 ] - [ 0.0000000000000000, 0.0019335900000000, 0.0001681700000000 ] - [ 0.0000000000000000, 0.1833132100000000, -0.0097143000000000 ] - [ 0.0000000000000000, 0.0013546700000000, -0.0002722900000000 ] - [ 0.0000000000000000, -0.0045672800000000, -0.0016110800000000 ] - [ 0.0000000000000000, -0.0045366100000000, 0.0034775000000000 ] - [ 0.0000000000000000, -0.0032372000000000, -0.0007071100000000 ] - [ 0.0000000000000000, -0.0010933400000000, -0.0003306000000000 ] - [ 0.0000000000000000, 0.0002525800000000, 0.0006416800000000 ] - [ 0.0000000000000000, 0.0002552000000000, -0.0033016400000000 ] - [ 0.0002469400000000, -0.0009754800000000, -0.0000568400000000 ] - [ -0.0275078500000000, -0.0311257100000000, -0.0166251900000000 ] - [ 0.0003974300000000, 0.0040768200000000, 0.0008921800000000 ] - [ 0.0006825600000000, 0.0018351700000000, -0.0004085400000000 ] - [ -0.0002469400000000, -0.0009754800000000, -0.0000568400000000 ] - [ 0.0275078500000000, -0.0311257100000000, -0.0166251900000000 ] - [ -0.0003974300000000, 0.0040768200000000, 0.0008921800000000 ] - [ -0.0006825600000000, 0.0018351700000000, -0.0004085400000000 ] - [ -0.0000663000000000, 0.0007701000000000, -0.0004197700000000 ] - [ -0.0014085500000000, 0.0044849900000000, 0.0009053300000000 ] - [ 0.0006920400000000, 0.0037819400000000, -0.0028044900000000 ] - [ 0.0015102300000000, 0.0014810400000000, 0.0019393900000000 ] - [ 0.0000663000000000, 0.0007701000000000, -0.0004197700000000 ] - [ 0.0014085500000000, 0.0044849900000000, 0.0009053300000000 ] - [ -0.0006920400000000, 0.0037819400000000, -0.0028044900000000 ] - [ -0.0015102300000000, 0.0014810400000000, 0.0019393900000000 ] - [ 0.0000000000000000, -0.0020592000000000, 0.0002171300000000 ] - [ 0.0000000000000000, -0.0861942400000000, 0.0301291900000000 ] - [ 0.0000000000000000, 0.0039304500000000, 0.0077324100000000 ] - [ 0.0000000000000000, 0.0014175800000000, -0.0051880600000000 ] - [ 0.0000000000000000, -0.0175860900000000, 0.0160472500000000 ] - [ 0.0000000000000000, -0.0037655300000000, 0.0017320300000000 ] - [ 0.0000000000000000, 0.0014101600000000, 0.0017485500000000 ] - [ 0.0000000000000000, 0.0065798400000000, -0.0003508100000000 ] - [ 0.0003546800000000, 0.0011182400000000, -0.0001496300000000 ] - [ 0.0015813300000000, 0.0031307100000000, -0.0014355700000000 ] - [ 0.0010463600000000, -0.0024878100000000, -0.0017864400000000 ] - [ -0.0006974100000000, -0.0026776100000000, 0.0008848400000000 ] - [ -0.0003546800000000, 0.0011182400000000, -0.0001496300000000 ] - [ -0.0015813300000000, 0.0031307100000000, -0.0014355700000000 ] - [ -0.0010463600000000, -0.0024878100000000, -0.0017864400000000 ] - [ 0.0006974100000000, -0.0026776100000000, 0.0008848400000000 ] - [ 0.0000322500000000, -0.0008356500000000, -0.0001220900000000 ] - [ -0.0046068200000000, -0.0017367600000000, -0.0015091700000000 ] - [ 0.0023479000000000, -0.0016095100000000, 0.0024474200000000 ] - [ -0.0000373000000000, -0.0004751200000000, -0.0009748400000000 ] - [ -0.0000322500000000, -0.0008356500000000, -0.0001220900000000 ] - [ 0.0046068200000000, -0.0017367600000000, -0.0015091700000000 ] - [ -0.0023479000000000, -0.0016095100000000, 0.0024474200000000 ] - [ 0.0000373000000000, -0.0004751200000000, -0.0009748400000000 ] - [ 0.0000000000000000, 0.0007349700000000, -0.0000146600000000 ] - [ 0.0000000000000000, 0.0027812200000000, 0.0009118100000000 ] - [ 0.0000000000000000, 0.0007432000000000, -0.0014502100000000 ] - [ 0.0000000000000000, 0.0001457100000000, 0.0005520000000000 ] - [ 0.0000000000000000, 0.0015053700000000, 0.0006425800000000 ] - [ 0.0000000000000000, 0.0015980400000000, 0.0000739100000000 ] - [ 0.0000000000000000, -0.0005245900000000, -0.0004459400000000 ] - [ 0.0000000000000000, -0.0011511800000000, 0.0006859900000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0011443300000000, -0.0007637800000000, -0.0000830400000000 ] - [ -0.0006154900000000, 0.0009752000000000, 0.0011163800000000 ] - [ 0.0008103900000000, 0.0022895200000000, -0.0119843100000000 ] - [ -0.0009051700000000, -0.0004483400000000, 0.0042203900000000 ] - [ -0.0011443300000000, -0.0007637800000000, -0.0000830400000000 ] - [ 0.0006154900000000, 0.0009752000000000, 0.0011163800000000 ] - [ -0.0008103900000000, 0.0022895200000000, -0.0119843100000000 ] - [ 0.0009051700000000, -0.0004483400000000, 0.0042203900000000 ] - [ 0.0000000000000000, -0.0169990200000000, 0.0118527400000000 ] - [ 0.0000000000000000, 0.0189125900000000, 0.0153899800000000 ] - [ 0.0000000000000000, -0.0003953500000000, -0.0052332500000000 ] - [ 0.0000000000000000, -0.0000053100000000, 0.0033478300000000 ] - [ -0.0181320600000000, 0.0127995700000000, 0.0157420000000000 ] - [ 0.0147780500000000, -0.0105856200000000, 0.0185708600000000 ] - [ -0.0016746800000000, -0.0009539000000000, -0.0074089000000000 ] - [ 0.0000110600000000, 0.0007606400000000, 0.0038597600000000 ] - [ 0.0181320600000000, 0.0127995700000000, 0.0157420000000000 ] - [ -0.0147780500000000, -0.0105856200000000, 0.0185708600000000 ] - [ 0.0016746800000000, -0.0009539000000000, -0.0074089000000000 ] - [ -0.0000110600000000, 0.0007606400000000, 0.0038597600000000 ] - [ 0.0000000000000000, 0.0019368500000000, -0.0001256400000000 ] - [ 0.0000000000000000, -0.0011261100000000, 0.0007346300000000 ] - [ 0.0000000000000000, 0.0000161500000000, -0.0079978800000000 ] - [ 0.0000000000000000, -0.0008409700000000, 0.0049776200000000 ] - [ 0.0000000000000000, 0.0061508900000000, -0.2730704000000000 ] - [ 0.0000000000000000, -0.0000363400000000, 0.0078840800000000 ] - [ 0.0000000000000000, 0.0037686400000000, 0.0007864900000000 ] - [ 0.0000000000000000, -0.0012889300000000, 0.0007845700000000 ] - [ 0.0000000000000000, 0.0003924500000000, -0.0022169300000000 ] - [ 0.0000000000000000, 0.0000250200000000, 0.0014408000000000 ] - [ 0.0000000000000000, -0.0029814100000000, 0.0015718800000000 ] - [ 0.0000000000000000, 0.0009478600000000, 0.0015705500000000 ] - [ 0.0015928300000000, 0.0012212900000000, -0.0061414500000000 ] - [ 0.0373760400000000, 0.0194634300000000, 0.0402959100000000 ] - [ -0.0009147000000000, -0.0006276700000000, 0.0015321200000000 ] - [ -0.0001360500000000, -0.0000254700000000, -0.0011040500000000 ] - [ -0.0015928300000000, 0.0012212900000000, -0.0061414500000000 ] - [ -0.0373760400000000, 0.0194634300000000, 0.0402959100000000 ] - [ 0.0009147000000000, -0.0006276700000000, 0.0015321200000000 ] - [ 0.0001360500000000, -0.0000254700000000, -0.0011040500000000 ] - [ -0.0020951500000000, 0.0018525300000000, -0.0024594300000000 ] - [ 0.0008541000000000, -0.0035286500000000, 0.0013177300000000 ] - [ 0.0032357900000000, 0.0033352000000000, 0.0030022500000000 ] - [ -0.0016281400000000, -0.0013682200000000, -0.0032198900000000 ] - [ 0.0020951500000000, 0.0018525300000000, -0.0024594300000000 ] - [ -0.0008541000000000, -0.0035286500000000, 0.0013177300000000 ] - [ -0.0032357900000000, 0.0033352000000000, 0.0030022500000000 ] - [ 0.0016281400000000, -0.0013682200000000, -0.0032198900000000 ] - [ 0.0000000000000000, -0.0015225200000000, -0.0039542500000000 ] - [ 0.0000000000000000, -0.0340778500000000, 0.0305217900000000 ] - [ 0.0000000000000000, -0.0086441000000000, 0.0011745200000000 ] - [ 0.0000000000000000, 0.0019141800000000, -0.0019008400000000 ] - [ 0.0000000000000000, -0.0165917800000000, 0.1121964500000000 ] - [ 0.0000000000000000, 0.0004124100000000, -0.0083468400000000 ] - [ 0.0000000000000000, -0.0007258400000000, -0.0012814800000000 ] - [ 0.0000000000000000, 0.0021454900000000, 0.0008279500000000 ] - [ 0.0001487600000000, -0.0002827100000000, -0.0007665600000000 ] - [ 0.0001929000000000, 0.0000594900000000, 0.0004081900000000 ] - [ 0.0047773700000000, 0.0021209600000000, 0.0024157600000000 ] - [ -0.0014173300000000, -0.0008395900000000, -0.0028588000000000 ] - [ -0.0001487600000000, -0.0002827100000000, -0.0007665600000000 ] - [ -0.0001929000000000, 0.0000594900000000, 0.0004081900000000 ] - [ -0.0047773700000000, 0.0021209600000000, 0.0024157600000000 ] - [ 0.0014173300000000, -0.0008395900000000, -0.0028588000000000 ] - [ 0.0027932200000000, -0.0024883300000000, -0.0046608000000000 ] - [ -0.0031014100000000, 0.0024654100000000, 0.0019583400000000 ] - [ -0.0018437900000000, -0.0026293000000000, 0.0032477700000000 ] - [ 0.0014592900000000, 0.0015943500000000, -0.0032141800000000 ] - [ -0.0027932200000000, -0.0024883300000000, -0.0046608000000000 ] - [ 0.0031014100000000, 0.0024654100000000, 0.0019583400000000 ] - [ 0.0018437900000000, -0.0026293000000000, 0.0032477700000000 ] - [ -0.0014592900000000, 0.0015943500000000, -0.0032141800000000 ] - [ 0.0000000000000000, -0.0001639000000000, -0.0004353500000000 ] - [ 0.0000000000000000, -0.0008839400000000, 0.0001546800000000 ] - [ 0.0000000000000000, 0.0011127200000000, 0.0024851300000000 ] - [ 0.0000000000000000, -0.0002439700000000, -0.0010017800000000 ] - [ 0.0000000000000000, -0.0002728700000000, 0.0014087200000000 ] - [ 0.0000000000000000, 0.0001032900000000, -0.0009714400000000 ] - [ 0.0000000000000000, 0.0005004400000000, -0.0016377300000000 ] - [ 0.0000000000000000, -0.0003308000000000, 0.0014912400000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0010551800000000, 0.0005380300000000, 0.0001659200000000 ] - [ 0.0007104900000000, -0.0012038500000000, -0.0010386100000000 ] - [ -0.0009454600000000, -0.0021131200000000, 0.0121125800000000 ] - [ 0.0008117400000000, 0.0006740500000000, -0.0041381600000000 ] - [ 0.0010551800000000, 0.0005380300000000, 0.0001659200000000 ] - [ -0.0007104900000000, -0.0012038500000000, -0.0010386100000000 ] - [ 0.0009454600000000, -0.0021131200000000, 0.0121125800000000 ] - [ -0.0008117400000000, 0.0006740500000000, -0.0041381600000000 ] - [ 0.0000000000000000, 0.0172224300000000, -0.0119796600000000 ] - [ 0.0000000000000000, -0.0185154400000000, -0.0154247800000000 ] - [ 0.0000000000000000, 0.0001647800000000, 0.0051755200000000 ] - [ 0.0000000000000000, -0.0002155700000000, -0.0034260700000000 ] - [ 0.0182981700000000, -0.0130511900000000, -0.0157794100000000 ] - [ -0.0144822200000000, 0.0102579100000000, -0.0183649000000000 ] - [ 0.0015887100000000, 0.0012124200000000, 0.0075199700000000 ] - [ -0.0001025400000000, -0.0005454200000000, -0.0037838700000000 ] - [ -0.0182981700000000, -0.0130511900000000, -0.0157794100000000 ] - [ 0.0144822200000000, 0.0102579100000000, -0.0183649000000000 ] - [ -0.0015887100000000, 0.0012124200000000, 0.0075199700000000 ] - [ 0.0001025400000000, -0.0005454200000000, -0.0037838700000000 ] - [ 0.0000000000000000, -0.0017252400000000, 0.0000567800000000 ] - [ 0.0000000000000000, 0.0013482300000000, -0.0008246600000000 ] - [ 0.0000000000000000, -0.0002306900000000, 0.0079458500000000 ] - [ 0.0000000000000000, 0.0006315700000000, -0.0050582300000000 ] - [ 0.0000000000000000, -0.0082081800000000, 0.2798492400000000 ] - [ 0.0000000000000000, -0.0000618300000000, -0.0083642000000000 ] - [ 0.0000000000000000, -0.0036938100000000, -0.0013325000000000 ] - [ 0.0000000000000000, 0.0013879600000000, -0.0013303100000000 ] - [ 0.0000000000000000, -0.0004965800000000, 0.0016791000000000 ] - [ 0.0000000000000000, -0.0001313200000000, -0.0019590400000000 ] - [ 0.0000000000000000, 0.0030907700000000, -0.0021109400000000 ] - [ 0.0000000000000000, -0.0008491300000000, -0.0021158200000000 ] - [ -0.0013767600000000, -0.0013502800000000, 0.0061278500000000 ] - [ -0.0357778700000000, -0.0188146200000000, -0.0398314100000000 ] - [ 0.0006627900000000, 0.0007341800000000, -0.0014902000000000 ] - [ -0.0000758700000000, 0.0001525500000000, 0.0011242900000000 ] - [ 0.0013767600000000, -0.0013502800000000, 0.0061278500000000 ] - [ 0.0357778700000000, -0.0188146200000000, -0.0398314100000000 ] - [ -0.0006627900000000, 0.0007341800000000, -0.0014902000000000 ] - [ 0.0000758700000000, 0.0001525500000000, 0.0011242900000000 ] - [ 0.0020374400000000, -0.0016505500000000, 0.0023305000000000 ] - [ -0.0009072100000000, 0.0037423900000000, -0.0014429900000000 ] - [ -0.0031841600000000, -0.0035461700000000, -0.0031430400000000 ] - [ 0.0016806300000000, 0.0011613400000000, 0.0030938000000000 ] - [ -0.0020374400000000, -0.0016505500000000, 0.0023305000000000 ] - [ 0.0009072100000000, 0.0037423900000000, -0.0014429900000000 ] - [ 0.0031841600000000, -0.0035461700000000, -0.0031430400000000 ] - [ -0.0016806300000000, 0.0011613400000000, 0.0030938000000000 ] - [ 0.0000000000000000, 0.0014141100000000, 0.0041961200000000 ] - [ 0.0000000000000000, 0.0331262300000000, -0.0302771900000000 ] - [ 0.0000000000000000, 0.0088820100000000, -0.0008889200000000 ] - [ 0.0000000000000000, -0.0017861500000000, 0.0021541600000000 ] - [ 0.0000000000000000, 0.0179708500000000, -0.1199933200000000 ] - [ 0.0000000000000000, -0.0003524300000000, 0.0086993300000000 ] - [ 0.0000000000000000, 0.0006562200000000, 0.0016199600000000 ] - [ 0.0000000000000000, -0.0022210700000000, -0.0004292300000000 ] - [ 0.0000499400000000, 0.0001516100000000, 0.0007724300000000 ] - [ 0.0000558600000000, -0.0001620100000000, -0.0003639000000000 ] - [ -0.0049996500000000, -0.0019933600000000, -0.0024216900000000 ] - [ 0.0011636400000000, 0.0009356700000000, 0.0029111100000000 ] - [ -0.0000499400000000, 0.0001516100000000, 0.0007724300000000 ] - [ -0.0000558600000000, -0.0001620100000000, -0.0003639000000000 ] - [ 0.0049996500000000, -0.0019933600000000, -0.0024216900000000 ] - [ -0.0011636400000000, 0.0009356700000000, 0.0029111100000000 ] - [ -0.0028637700000000, 0.0027022400000000, 0.0045441600000000 ] - [ 0.0030484900000000, -0.0022676400000000, -0.0020724100000000 ] - [ 0.0019045900000000, 0.0024263000000000, -0.0033869200000000 ] - [ -0.0013956200000000, -0.0017899200000000, 0.0030844500000000 ] - [ 0.0028637700000000, 0.0027022400000000, 0.0045441600000000 ] - [ -0.0030484900000000, -0.0022676400000000, -0.0020724100000000 ] - [ -0.0019045900000000, 0.0024263000000000, -0.0033869200000000 ] - [ 0.0013956200000000, -0.0017899200000000, 0.0030844500000000 ] - [ 0.0000000000000000, 0.0000769800000000, 0.0006703400000000 ] - [ 0.0000000000000000, 0.0007237900000000, 0.0001219100000000 ] - [ 0.0000000000000000, -0.0010231500000000, -0.0022529000000000 ] - [ 0.0000000000000000, 0.0004155900000000, 0.0012858500000000 ] - [ 0.0000000000000000, 0.0003451100000000, -0.0010641800000000 ] - [ 0.0000000000000000, -0.0000418600000000, 0.0014014600000000 ] - [ 0.0000000000000000, -0.0005621600000000, 0.0020640300000000 ] - [ 0.0000000000000000, 0.0002569100000000, -0.0011467700000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0024465500000000, 0.0007640000000000, -0.0005401300000000 ] - [ -0.0012865900000000, -0.0006287300000000, 0.0003361500000000 ] - [ 0.0013736000000000, -0.0012623100000000, -0.0007951400000000 ] - [ 0.0197100300000000, 0.0102024800000000, -0.0072146900000000 ] - [ 0.0004214200000000, -0.0014038600000000, -0.0016759100000000 ] - [ 0.0000531300000000, -0.0016632800000000, 0.0015099900000000 ] - [ -0.0021301200000000, -0.0003099500000000, 0.0009884100000000 ] - [ -0.0090328200000000, 0.0038711200000000, -0.0034270800000000 ] - [ 0.0116047300000000, 0.0021279100000000, 0.0018111400000000 ] - [ 0.0016353200000000, 0.0030903600000000, -0.0002352500000000 ] - [ 0.0010039200000000, 0.0004922900000000, 0.0008512700000000 ] - [ 0.0023522500000000, -0.0003384300000000, -0.0011689700000000 ] - [ 0.0108867100000000, 0.0017970200000000, -0.0007172300000000 ] - [ 0.0043137400000000, -0.0000163100000000, 0.0004345400000000 ] - [ -0.0002961100000000, -0.0001833900000000, 0.0002189300000000 ] - [ -0.0024356600000000, -0.0022032100000000, -0.0012552500000000 ] - [ -0.0042912900000000, -0.0050439600000000, 0.0057273500000000 ] - [ -0.0026885100000000, -0.0015835900000000, -0.0015150500000000 ] - [ 0.0009006700000000, 0.0002209200000000, -0.0002158600000000 ] - [ 0.0040859700000000, -0.0001508500000000, 0.0001058500000000 ] - [ -0.0019222300000000, 0.0006130600000000, -0.0007436700000000 ] - [ -0.0005302300000000, -0.0000731700000000, 0.0001974900000000 ] - [ -0.0016658400000000, 0.0011482000000000, -0.0007474100000000 ] - [ -0.0066937600000000, 0.0043237400000000, 0.0025503500000000 ] - [ 0.0007381100000000, -0.0001746200000000, 0.0012170700000000 ] - [ 0.0625283400000000, 0.0269993600000000, 0.0351299100000000 ] - [ 0.0003321000000000, -0.0004707800000000, 0.0005261000000000 ] - [ 0.0002820800000000, -0.0007378900000000, -0.0002348000000000 ] - [ -0.0001898400000000, -0.0003062200000000, -0.0002190500000000 ] - [ -0.0005754900000000, -0.0015164500000000, -0.0002012900000000 ] - [ -0.0057339700000000, -0.0010902300000000, -0.0051776000000000 ] - [ -0.0025523700000000, 0.0006301100000000, 0.0010336800000000 ] - [ -0.1376882600000000, -0.0509441700000000, -0.0216097300000000 ] - [ -0.0011337400000000, -0.0004822800000000, -0.0000816100000000 ] - [ -0.0001174600000000, -0.0002254200000000, -0.0000174300000000 ] - [ -0.0000854000000000, 0.0006758100000000, 0.0002855800000000 ] - [ 0.0295222400000000, -0.0021107900000000, -0.0017139800000000 ] - [ 0.0003588300000000, -0.0005724000000000, -0.0000351100000000 ] - [ -0.0003178700000000, 0.0001871000000000, 0.0001236300000000 ] - [ -0.0003505700000000, 0.0007192900000000, 0.0000558400000000 ] - [ 0.0012676200000000, -0.0027650400000000, 0.0011210700000000 ] - [ 0.0001888700000000, -0.0001612800000000, -0.0006443000000000 ] - [ -0.0028059200000000, -0.0007618800000000, -0.0010787100000000 ] - [ -0.0051021600000000, 0.0018212700000000, -0.0035485000000000 ] - [ -0.0075039200000000, 0.0029503200000000, 0.0019205900000000 ] - [ -0.0007711900000000, 0.0001248600000000, -0.0005864800000000 ] - [ 0.0045080900000000, -0.0025543500000000, -0.0041786200000000 ] - [ 0.0001261400000000, -0.0006645800000000, 0.0003606900000000 ] - [ 0.0022115300000000, 0.0136078500000000, -0.0003278100000000 ] - [ -0.0003189200000000, 0.0004096200000000, -0.0001025100000000 ] - [ -0.0018758700000000, 0.0000333200000000, -0.0004105600000000 ] - [ -0.0004605600000000, 0.0010897000000000, 0.0008785200000000 ] - [ -0.0009551800000000, 0.0022690100000000, -0.0051983700000000 ] - [ 0.0003435100000000, 0.0012948300000000, 0.0089665100000000 ] - [ -0.0004387100000000, 0.0016962600000000, 0.0002692600000000 ] - [ -0.0001513700000000, 0.0000828900000000, 0.0002522800000000 ] - [ 0.0010880900000000, 0.0005046400000000, -0.0000428700000000 ] - [ 0.0003401300000000, 0.0001203600000000, -0.0001448700000000 ] - [ 0.0020542100000000, -0.0006430000000000, 0.0053027500000000 ] - [ 0.0020413800000000, -0.0019196100000000, -0.0064858600000000 ] - [ -0.0003607700000000, -0.0001054200000000, -0.0000588500000000 ] - [ -0.0001596300000000, 0.0002208500000000, -0.0002165600000000 ] - [ 0.0028136200000000, -0.0005140300000000, -0.0003810400000000 ] - [ 0.0028319400000000, -0.0004668400000000, 0.0006752500000000 ] - [ 0.0013141500000000, -0.0061220700000000, 0.0001802000000000 ] - [ -0.0003561200000000, 0.0000905900000000, 0.0001575200000000 ] - [ 0.0014839900000000, 0.0006859000000000, -0.0007020600000000 ] - [ 0.0014283100000000, -0.0003290000000000, -0.0000586000000000 ] - [ 0.0028665500000000, 0.0009085000000000, 0.0003516900000000 ] - [ 0.0008868500000000, 0.0002457200000000, 0.0004966800000000 ] - [ 0.0004513100000000, -0.0006489100000000, 0.0004221400000000 ] - [ -0.0006333100000000, -0.0009881100000000, -0.0006827400000000 ] - [ 0.0029930800000000, 0.0023020100000000, 0.0015297800000000 ] - [ 0.0002758300000000, 0.0001960900000000, -0.0002044500000000 ] - [ 0.0009186500000000, 0.0008675200000000, 0.0010898700000000 ] - [ 0.0043549200000000, 0.0009043000000000, -0.0028296100000000 ] - [ 0.0002913000000000, 0.0000280600000000, 0.0001868300000000 ] - [ 0.0002250500000000, 0.0005663700000000, -0.0000406700000000 ] - [ 0.0157862800000000, 0.0011552700000000, 0.0009066900000000 ] - [ 0.0008637200000000, 0.0000975400000000, -0.0007053400000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0025412300000000, -0.0010002700000000, 0.0006133400000000 ] - [ 0.0013831700000000, 0.0003981000000000, -0.0002426100000000 ] - [ -0.0014652400000000, 0.0014886400000000, 0.0008800700000000 ] - [ -0.0193491500000000, -0.0093078900000000, 0.0068004400000000 ] - [ -0.0005036800000000, 0.0011676400000000, 0.0017590300000000 ] - [ -0.0001500300000000, 0.0014266400000000, -0.0014114100000000 ] - [ 0.0022180000000000, 0.0005303100000000, -0.0009094400000000 ] - [ 0.0091154200000000, -0.0036850600000000, 0.0035501800000000 ] - [ -0.0118691900000000, -0.0015463200000000, -0.0015828600000000 ] - [ -0.0016326700000000, -0.0028492400000000, 0.0001649900000000 ] - [ -0.0010032500000000, -0.0007179500000000, -0.0009192700000000 ] - [ -0.0023617500000000, 0.0001078200000000, 0.0010843200000000 ] - [ -0.0107084800000000, -0.0020193500000000, 0.0008286600000000 ] - [ -0.0042022600000000, -0.0002074500000000, -0.0003620200000000 ] - [ 0.0001968100000000, 0.0004018900000000, -0.0001281700000000 ] - [ 0.0023236100000000, 0.0024119100000000, 0.0013282300000000 ] - [ 0.0041760400000000, 0.0048683700000000, -0.0056624500000000 ] - [ 0.0025771500000000, 0.0013592700000000, 0.0015983100000000 ] - [ -0.0008111000000000, -0.0000076000000000, 0.0003171800000000 ] - [ -0.0039845400000000, 0.0003472000000000, -0.0000359400000000 ] - [ 0.0019368300000000, -0.0004061900000000, 0.0006623200000000 ] - [ 0.0005325600000000, 0.0002889500000000, -0.0002647800000000 ] - [ 0.0016769900000000, -0.0013473800000000, 0.0006832600000000 ] - [ 0.0066946200000000, -0.0044895900000000, -0.0026021400000000 ] - [ -0.0007356000000000, 0.0000781500000000, -0.0017517800000000 ] - [ -0.0650823700000000, -0.0289401000000000, -0.0380729700000000 ] - [ -0.0003333600000000, 0.0005599600000000, -0.0010701600000000 ] - [ -0.0002840500000000, 0.0008270500000000, -0.0002869700000000 ] - [ 0.0001919000000000, 0.0001987900000000, -0.0003219000000000 ] - [ 0.0005762200000000, 0.0013995100000000, -0.0003369400000000 ] - [ 0.0057334900000000, 0.0011846500000000, 0.0045821200000000 ] - [ 0.0025546600000000, -0.0005208200000000, -0.0015647000000000 ] - [ 0.1406130600000000, 0.0517672300000000, 0.0242382500000000 ] - [ 0.0013543500000000, 0.0003592100000000, 0.0001040400000000 ] - [ -0.0001324700000000, 0.0003341700000000, 0.0000586200000000 ] - [ -0.0001102400000000, -0.0005356500000000, -0.0002811600000000 ] - [ -0.0302719800000000, 0.0020054600000000, 0.0017716800000000 ] - [ -0.0005762800000000, 0.0004464900000000, 0.0000576600000000 ] - [ 0.0005697100000000, -0.0000762200000000, -0.0000812400000000 ] - [ 0.0005466500000000, -0.0005788700000000, -0.0000501300000000 ] - [ -0.0013155300000000, 0.0029825800000000, -0.0012389100000000 ] - [ -0.0002439500000000, 0.0003677700000000, 0.0005130000000000 ] - [ 0.0028716400000000, 0.0005597300000000, 0.0009560700000000 ] - [ 0.0051113800000000, -0.0020201100000000, 0.0033949400000000 ] - [ 0.0075298900000000, -0.0028206100000000, -0.0020461900000000 ] - [ 0.0008271400000000, 0.0000790300000000, 0.0004549200000000 ] - [ -0.0045738800000000, 0.0023487900000000, 0.0040505700000000 ] - [ -0.0001716000000000, 0.0004678000000000, -0.0005033200000000 ] - [ -0.0021552800000000, -0.0138064500000000, 0.0005911600000000 ] - [ 0.0003202600000000, -0.0005392500000000, 0.0003559500000000 ] - [ 0.0018844700000000, 0.0001458800000000, 0.0006876300000000 ] - [ 0.0004608800000000, -0.0009893500000000, -0.0006348500000000 ] - [ 0.0009875600000000, -0.0022098800000000, 0.0055900500000000 ] - [ -0.0003232900000000, -0.0012421500000000, -0.0085820500000000 ] - [ 0.0004396600000000, -0.0017621500000000, 0.0000865700000000 ] - [ 0.0001539900000000, -0.0001377000000000, 0.0001793200000000 ] - [ -0.0008575400000000, -0.0006116800000000, 0.0000708100000000 ] - [ -0.0000939400000000, -0.0002226400000000, 0.0001836500000000 ] - [ -0.0022860500000000, 0.0007441100000000, -0.0052640800000000 ] - [ -0.0022926600000000, 0.0020106800000000, 0.0064894200000000 ] - [ 0.0001259300000000, -0.0000034600000000, 0.0000866800000000 ] - [ -0.0000888500000000, -0.0003203200000000, 0.0002519700000000 ] - [ -0.0026001000000000, 0.0006303400000000, 0.0004128200000000 ] - [ -0.0025885600000000, 0.0005662500000000, -0.0006531800000000 ] - [ -0.0014021300000000, 0.0063161100000000, -0.0002891500000000 ] - [ 0.0002971000000000, 0.0001098300000000, -0.0002905800000000 ] - [ -0.0014352200000000, -0.0008964500000000, 0.0005756000000000 ] - [ -0.0013682200000000, 0.0001199400000000, -0.0000715400000000 ] - [ -0.0028070200000000, -0.0007195100000000, -0.0004776500000000 ] - [ -0.0008296500000000, -0.0000414600000000, -0.0006223500000000 ] - [ -0.0005650200000000, 0.0004794300000000, -0.0005874700000000 ] - [ 0.0005709800000000, 0.0007812500000000, 0.0005545700000000 ] - [ -0.0029920000000000, -0.0024197000000000, -0.0012657200000000 ] - [ -0.0002764600000000, -0.0003548800000000, 0.0004793000000000 ] - [ -0.0009208000000000, -0.0007493700000000, -0.0008338500000000 ] - [ -0.0043438400000000, -0.0007473000000000, 0.0030846000000000 ] - [ -0.0002938100000000, 0.0000507100000000, 0.0001691100000000 ] - [ -0.0002255400000000, -0.0004936400000000, 0.0004216300000000 ] - [ -0.0156107800000000, -0.0012010700000000, -0.0004889700000000 ] - [ -0.0008639700000000, -0.0001725800000000, 0.0010658800000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008234700000000, -0.0032292700000000, -0.0005640800000000 ] - [ -0.0004264700000000, -0.0021326400000000, 0.0006104900000000 ] - [ -0.0009548900000000, 0.0027095100000000, -0.0006616900000000 ] - [ 0.0084442000000000, 0.0259942500000000, -0.0070446700000000 ] - [ -0.0040551500000000, -0.0058795800000000, -0.0045799300000000 ] - [ -0.0006859300000000, -0.0032030500000000, 0.0020742800000000 ] - [ 0.0007701200000000, 0.0025720300000000, -0.0009658300000000 ] - [ -0.0012131800000000, 0.0032435100000000, 0.0000411300000000 ] - [ 0.0043643600000000, 0.0130021400000000, -0.0051665600000000 ] - [ 0.0014018800000000, 0.0036764800000000, 0.0015494000000000 ] - [ -0.0000533900000000, -0.0026115100000000, -0.0014001600000000 ] - [ 0.0042716100000000, -0.0059595600000000, 0.0035650200000000 ] - [ 0.0069061200000000, 0.0132381500000000, -0.0012255800000000 ] - [ 0.0012161800000000, 0.0009172900000000, -0.0013274900000000 ] - [ -0.0004041800000000, -0.0016123900000000, 0.0010770800000000 ] - [ -0.0031582900000000, -0.0046367700000000, -0.0023388300000000 ] - [ -0.0040248100000000, 0.0027903600000000, 0.0030454000000000 ] - [ -0.0013069700000000, 0.0003996400000000, -0.0010340000000000 ] - [ -0.0009941900000000, -0.0027730000000000, 0.0022721200000000 ] - [ 0.0013406000000000, -0.0070085800000000, -0.0033185800000000 ] - [ 0.0023839500000000, -0.0039677400000000, 0.0002098900000000 ] - [ 0.0002238500000000, -0.0015452800000000, -0.0003399400000000 ] - [ 0.0012913800000000, 0.0021849100000000, 0.0016916600000000 ] - [ 0.0036237700000000, 0.0028728300000000, -0.0033243900000000 ] - [ 0.0000229800000000, 0.0008710800000000, 0.0010236500000000 ] - [ 0.0254522600000000, 0.0309747300000000, 0.0185887600000000 ] - [ 0.0002143200000000, -0.0039652400000000, 0.0004125400000000 ] - [ 0.0001107600000000, -0.0017277900000000, -0.0001628100000000 ] - [ 0.0000783600000000, -0.0012384100000000, -0.0004914400000000 ] - [ -0.0003618000000000, -0.0032312800000000, -0.0001585700000000 ] - [ -0.0003796800000000, 0.0026144700000000, -0.0023096200000000 ] - [ -0.0002765700000000, 0.0027899600000000, 0.0006216200000000 ] - [ -0.0510971700000000, -0.1174715600000000, -0.0013948000000000 ] - [ -0.0003225100000000, -0.0013754000000000, -0.0000775900000000 ] - [ 0.0004740500000000, 0.0022369500000000, -0.0000086600000000 ] - [ -0.0003716500000000, 0.0022589400000000, 0.0001641100000000 ] - [ 0.0020270300000000, -0.0081686000000000, -0.0004348600000000 ] - [ 0.0004123600000000, -0.0015129400000000, 0.0000287000000000 ] - [ -0.0005212200000000, 0.0026800600000000, 0.0005037300000000 ] - [ -0.0000412200000000, 0.0026988600000000, 0.0002757300000000 ] - [ -0.0030717300000000, 0.0011052200000000, -0.0011170100000000 ] - [ -0.0000353300000000, -0.0000047500000000, 0.0003294100000000 ] - [ 0.0013783900000000, 0.0007321800000000, 0.0035831100000000 ] - [ -0.0027303600000000, 0.0026536300000000, -0.0056773100000000 ] - [ 0.0001526700000000, 0.0244335000000000, 0.0026754500000000 ] - [ 0.0000084200000000, -0.0000882700000000, -0.0004016300000000 ] - [ -0.0054021400000000, 0.0028273000000000, 0.0053750100000000 ] - [ -0.0006914600000000, -0.0005722500000000, -0.0008910200000000 ] - [ 0.0135902100000000, 0.0180942100000000, 0.0015658100000000 ] - [ 0.0000864300000000, -0.0004074800000000, -0.0001511100000000 ] - [ 0.0020429700000000, 0.0032695600000000, -0.0019081400000000 ] - [ 0.0000154100000000, 0.0012763900000000, 0.0017675300000000 ] - [ 0.0022098900000000, -0.0042206500000000, -0.0025075000000000 ] - [ 0.0014121900000000, -0.0028489400000000, 0.0046391400000000 ] - [ -0.0003870300000000, 0.0046553800000000, 0.0001489300000000 ] - [ 0.0001762900000000, 0.0013150300000000, 0.0002457400000000 ] - [ 0.0006536100000000, 0.0026257500000000, -0.0002413400000000 ] - [ 0.0002901200000000, 0.0011212900000000, -0.0002244700000000 ] - [ -0.0020722400000000, -0.0046545000000000, -0.0011540300000000 ] - [ -0.0008373700000000, -0.0046819000000000, -0.0006021200000000 ] - [ -0.0000395200000000, 0.0040551100000000, -0.0004111900000000 ] - [ -0.0003889800000000, 0.0014738300000000, -0.0005604500000000 ] - [ 0.0006264500000000, -0.0018679000000000, -0.0001757300000000 ] - [ 0.0007080800000000, -0.0018808300000000, 0.0000211300000000 ] - [ -0.0065866800000000, 0.0082634800000000, 0.0014876900000000 ] - [ -0.0001117200000000, 0.0000360600000000, -0.0006913800000000 ] - [ -0.0005065000000000, -0.0000068200000000, -0.0008237100000000 ] - [ 0.0003733200000000, -0.0000804200000000, 0.0007975000000000 ] - [ 0.0006634300000000, -0.0000597700000000, 0.0001214600000000 ] - [ 0.0000161600000000, 0.0002512200000000, -0.0001834300000000 ] - [ -0.0065170600000000, 0.0051908700000000, -0.0053398800000000 ] - [ -0.0006364900000000, -0.0000539100000000, 0.0014603100000000 ] - [ 0.0029524800000000, 0.0028263900000000, 0.0014644300000000 ] - [ -0.0000045600000000, 0.0004797200000000, -0.0003366200000000 ] - [ 0.0002065000000000, -0.0012682700000000, 0.0006784600000000 ] - [ 0.0041696700000000, 0.0003789300000000, -0.0043534400000000 ] - [ 0.0005314900000000, 0.0024088600000000, 0.0005617100000000 ] - [ 0.0001232800000000, 0.0014112500000000, 0.0001166500000000 ] - [ 0.0025232200000000, -0.0042244000000000, 0.0015709100000000 ] - [ -0.0000958100000000, -0.0014396900000000, -0.0002840900000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007332500000000, 0.0030166100000000, 0.0006473000000000 ] - [ 0.0005170900000000, 0.0019141300000000, -0.0005249200000000 ] - [ 0.0008580400000000, -0.0024710800000000, 0.0007397600000000 ] - [ -0.0077315100000000, -0.0250739600000000, 0.0064638200000000 ] - [ 0.0039338700000000, 0.0056450400000000, 0.0046261900000000 ] - [ 0.0005898400000000, 0.0029781200000000, -0.0019807200000000 ] - [ -0.0006784500000000, -0.0023364600000000, 0.0010440500000000 ] - [ 0.0012781600000000, -0.0029547700000000, 0.0000093600000000 ] - [ -0.0047334900000000, -0.0123804500000000, 0.0054764300000000 ] - [ -0.0013944700000000, -0.0034186800000000, -0.0016365800000000 ] - [ 0.0000574200000000, 0.0023962100000000, 0.0013213200000000 ] - [ -0.0042363800000000, 0.0057403700000000, -0.0036092100000000 ] - [ -0.0067327500000000, -0.0141955000000000, 0.0021044800000000 ] - [ -0.0010977400000000, -0.0011792400000000, 0.0013921200000000 ] - [ 0.0003117400000000, 0.0018295400000000, -0.0009989400000000 ] - [ 0.0030723800000000, 0.0048501700000000, 0.0024306700000000 ] - [ 0.0039320100000000, -0.0030768100000000, -0.0029389500000000 ] - [ 0.0011884700000000, -0.0006564700000000, 0.0010975700000000 ] - [ 0.0010981500000000, 0.0029999800000000, -0.0022055600000000 ] - [ -0.0012415300000000, 0.0072373800000000, 0.0034221200000000 ] - [ -0.0024043000000000, 0.0041854400000000, -0.0002878700000000 ] - [ -0.0002266000000000, 0.0017596000000000, 0.0002682400000000 ] - [ -0.0013010600000000, -0.0024210600000000, -0.0017739700000000 ] - [ -0.0036347300000000, -0.0031387300000000, 0.0032605600000000 ] - [ -0.0000174800000000, -0.0009730800000000, -0.0015405800000000 ] - [ -0.0263116600000000, -0.0311540600000000, -0.0197033800000000 ] - [ -0.0002095900000000, 0.0040674900000000, -0.0009475900000000 ] - [ -0.0001115400000000, 0.0018116700000000, -0.0003428100000000 ] - [ -0.0000794300000000, 0.0011385600000000, -0.0000490900000000 ] - [ 0.0003521900000000, 0.0031350200000000, -0.0003649600000000 ] - [ 0.0003775800000000, -0.0024986600000000, 0.0018101500000000 ] - [ 0.0002832900000000, -0.0026693800000000, -0.0011510400000000 ] - [ 0.0515788400000000, 0.1169649500000000, 0.0014282200000000 ] - [ 0.0005275900000000, 0.0012448700000000, 0.0000950200000000 ] - [ -0.0007297500000000, -0.0021363000000000, 0.0000540600000000 ] - [ 0.0001753100000000, -0.0021230300000000, -0.0001669900000000 ] - [ -0.0020738800000000, 0.0080498900000000, 0.0004338000000000 ] - [ -0.0006155900000000, 0.0013794800000000, -0.0000117400000000 ] - [ 0.0007696100000000, -0.0025737000000000, -0.0004521900000000 ] - [ 0.0002355300000000, -0.0025636400000000, -0.0002780400000000 ] - [ 0.0030007900000000, -0.0009238400000000, 0.0009863200000000 ] - [ -0.0000210500000000, 0.0002019700000000, -0.0004552300000000 ] - [ -0.0013264700000000, -0.0009453500000000, -0.0036990600000000 ] - [ 0.0027757100000000, -0.0028564400000000, 0.0055232900000000 ] - [ -0.0000894500000000, -0.0238143200000000, -0.0027667900000000 ] - [ 0.0000475700000000, 0.0002841600000000, 0.0002730500000000 ] - [ 0.0053249300000000, -0.0030155900000000, -0.0054856700000000 ] - [ 0.0006242300000000, 0.0003493300000000, 0.0007670500000000 ] - [ -0.0137853300000000, -0.0184510100000000, -0.0013236000000000 ] - [ -0.0000881800000000, 0.0003030700000000, 0.0004053500000000 ] - [ -0.0020572100000000, -0.0030974500000000, 0.0021931800000000 ] - [ -0.0000173400000000, -0.0011684500000000, -0.0015377800000000 ] - [ -0.0022088100000000, 0.0043166000000000, 0.0028892200000000 ] - [ -0.0013888900000000, 0.0029570000000000, -0.0041601100000000 ] - [ 0.0003820800000000, -0.0047245200000000, 0.0002006300000000 ] - [ -0.0001774800000000, -0.0013722600000000, 0.0001869200000000 ] - [ -0.0004479700000000, -0.0027596700000000, 0.0002504100000000 ] - [ -0.0000535500000000, -0.0012324500000000, 0.0002598400000000 ] - [ 0.0018707500000000, 0.0048076900000000, 0.0011455600000000 ] - [ 0.0005673800000000, 0.0047805200000000, 0.0006643900000000 ] - [ -0.0001558600000000, -0.0041840100000000, 0.0004161000000000 ] - [ 0.0001533100000000, -0.0015843500000000, 0.0005948000000000 ] - [ -0.0004187200000000, 0.0020004800000000, 0.0001730800000000 ] - [ -0.0004545800000000, 0.0019882000000000, 0.0000241700000000 ] - [ 0.0066081400000000, -0.0081347100000000, -0.0016277200000000 ] - [ 0.0000508200000000, 0.0001746500000000, 0.0005723600000000 ] - [ 0.0005760000000000, -0.0001850100000000, 0.0006957800000000 ] - [ -0.0003145300000000, -0.0001111500000000, -0.0009341500000000 ] - [ -0.0005998100000000, 0.0002823700000000, -0.0002510500000000 ] - [ 0.0000461200000000, -0.0000409000000000, 0.0000640600000000 ] - [ 0.0065191100000000, -0.0054469700000000, 0.0052446700000000 ] - [ 0.0005812300000000, -0.0001390000000000, -0.0016033900000000 ] - [ -0.0029412300000000, -0.0029307700000000, -0.0012271600000000 ] - [ 0.0000048100000000, -0.0006365900000000, 0.0006046100000000 ] - [ -0.0002006700000000, 0.0013602800000000, -0.0004350200000000 ] - [ -0.0041297800000000, -0.0002061200000000, 0.0045975900000000 ] - [ -0.0005233400000000, -0.0023407100000000, -0.0001868200000000 ] - [ -0.0001216600000000, -0.0013507100000000, 0.0002993600000000 ] - [ -0.0025469900000000, 0.0041337400000000, -0.0011493400000000 ] - [ 0.0000940200000000, 0.0013628600000000, 0.0006510000000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0015049700000000, -0.0010410400000000, 0.0019030400000000 ] - [ 0.0004982300000000, 0.0007719700000000, -0.0012085800000000 ] - [ -0.0004943400000000, -0.0016234000000000, -0.0043761600000000 ] - [ -0.0078584400000000, -0.0088877600000000, 0.0200578500000000 ] - [ -0.0011001300000000, -0.0010681500000000, 0.0020675000000000 ] - [ 0.0003711400000000, 0.0017113300000000, -0.0022578700000000 ] - [ 0.0010247800000000, 0.0004816000000000, -0.0024009500000000 ] - [ 0.0005047400000000, 0.0012236400000000, 0.0018857800000000 ] - [ 0.0024603400000000, -0.0028647800000000, 0.0093354500000000 ] - [ -0.0011288400000000, 0.0033494800000000, -0.0053138700000000 ] - [ -0.0001572900000000, -0.0009685400000000, -0.0022817100000000 ] - [ -0.0014031400000000, 0.0014878500000000, 0.0021653400000000 ] - [ -0.0058472400000000, -0.0000024500000000, 0.0125356900000000 ] - [ 0.0019508100000000, -0.0048002800000000, -0.0055685200000000 ] - [ 0.0005169900000000, 0.0004509200000000, -0.0014941400000000 ] - [ -0.0007432400000000, -0.0008822600000000, 0.0006540300000000 ] - [ 0.0023678300000000, 0.0011837800000000, 0.0039231500000000 ] - [ -0.0031603000000000, -0.0032090900000000, -0.0038362200000000 ] - [ 0.0008710400000000, 0.0015188900000000, -0.0028147500000000 ] - [ 0.0010591500000000, -0.0005154700000000, 0.0017451100000000 ] - [ -0.0016112600000000, 0.0014335300000000, 0.0020675500000000 ] - [ 0.0000221300000000, -0.0001474500000000, -0.0012716300000000 ] - [ -0.0023824300000000, 0.0001954200000000, -0.0037810400000000 ] - [ 0.0019894800000000, -0.0029741200000000, 0.0028900600000000 ] - [ -0.0002639100000000, 0.0000153700000000, -0.0064154800000000 ] - [ 0.0304668300000000, 0.0164167200000000, 0.0395755700000000 ] - [ 0.0001083300000000, 0.0009296000000000, 0.0012575600000000 ] - [ -0.0001052700000000, -0.0003609500000000, -0.0013722000000000 ] - [ -0.0000321200000000, 0.0001052400000000, -0.0010288900000000 ] - [ 0.0000252200000000, 0.0013898000000000, 0.0001331700000000 ] - [ -0.0049914400000000, -0.0017343600000000, 0.0021658000000000 ] - [ 0.0025070200000000, 0.0009034300000000, -0.0031332200000000 ] - [ -0.0222286800000000, -0.0010767500000000, -0.0945087100000000 ] - [ 0.0000196800000000, -0.0001436600000000, 0.0032913400000000 ] - [ -0.0004059700000000, -0.0001140200000000, -0.0000097600000000 ] - [ -0.0000578900000000, 0.0001034100000000, -0.0000208600000000 ] - [ 0.0017009000000000, -0.0005052800000000, -0.0076908000000000 ] - [ -0.0000693500000000, -0.0000358900000000, 0.0033899000000000 ] - [ 0.0001748800000000, -0.0002248400000000, -0.0001075300000000 ] - [ 0.0001976400000000, -0.0004054200000000, -0.0001183000000000 ] - [ -0.0020103700000000, 0.0013385500000000, -0.0032618300000000 ] - [ 0.0002831200000000, -0.0002661100000000, 0.0016998200000000 ] - [ 0.0012876000000000, 0.0025872800000000, 0.0017789600000000 ] - [ 0.0014153800000000, -0.0040113800000000, 0.0027773000000000 ] - [ 0.0021323100000000, 0.0005421100000000, -0.0072161000000000 ] - [ -0.0004443200000000, 0.0000446600000000, 0.0022900700000000 ] - [ -0.0044656700000000, 0.0025464400000000, 0.0042932100000000 ] - [ 0.0005848800000000, -0.0011707400000000, -0.0002861200000000 ] - [ 0.0010715700000000, 0.0034697200000000, -0.0059101000000000 ] - [ 0.0000479000000000, -0.0001075200000000, 0.0024284500000000 ] - [ -0.0025692400000000, -0.0023985700000000, 0.0004277400000000 ] - [ 0.0000764400000000, 0.0015169000000000, 0.0003669700000000 ] - [ -0.0059955100000000, -0.0028435900000000, 0.0106992600000000 ] - [ 0.0066340300000000, 0.0036693000000000, 0.0141251200000000 ] - [ -0.0000667900000000, 0.0002438300000000, -0.0007822700000000 ] - [ -0.0001777900000000, -0.0000683300000000, 0.0012647900000000 ] - [ 0.0000389200000000, -0.0003098300000000, -0.0008503600000000 ] - [ -0.0000470200000000, -0.0003012000000000, 0.0006893400000000 ] - [ 0.0064200100000000, 0.0007024300000000, 0.0068159900000000 ] - [ -0.0053825700000000, 0.0012073100000000, 0.0067704000000000 ] - [ -0.0000236400000000, -0.0004787200000000, -0.0007950600000000 ] - [ 0.0001170600000000, -0.0006359100000000, 0.0009895100000000 ] - [ 0.0007703900000000, 0.0000726500000000, -0.0003640200000000 ] - [ -0.0002633500000000, 0.0002324300000000, -0.0003309200000000 ] - [ 0.0018723600000000, -0.0014075500000000, -0.0051360000000000 ] - [ -0.0007114200000000, 0.0007852700000000, 0.0024998500000000 ] - [ 0.0007018400000000, -0.0002356800000000, -0.0000795800000000 ] - [ 0.0003610000000000, 0.0005740400000000, -0.0002383500000000 ] - [ 0.0001646700000000, 0.0002212400000000, -0.0016006200000000 ] - [ 0.0010625400000000, 0.0004705700000000, 0.0021485400000000 ] - [ 0.0062251900000000, -0.0051278200000000, 0.0047365700000000 ] - [ -0.0004673800000000, 0.0011691600000000, -0.0005262900000000 ] - [ -0.0025910200000000, -0.0026308800000000, -0.0027659300000000 ] - [ 0.0000216300000000, 0.0000446900000000, 0.0011775200000000 ] - [ 0.0005431100000000, 0.0010797100000000, -0.0001555000000000 ] - [ -0.0025242200000000, -0.0010845100000000, 0.0026686700000000 ] - [ -0.0000379900000000, -0.0002628400000000, 0.0002932300000000 ] - [ -0.0001003100000000, -0.0004379700000000, 0.0002263800000000 ] - [ 0.0000042500000000, 0.0011341700000000, -0.0043048400000000 ] - [ -0.0002584500000000, 0.0000406400000000, 0.0034034700000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0014140800000000, 0.0008160000000000, -0.0018181700000000 ] - [ -0.0004028000000000, -0.0009944600000000, 0.0012869800000000 ] - [ 0.0003960700000000, 0.0018276600000000, 0.0044476500000000 ] - [ 0.0081850300000000, 0.0095599500000000, -0.0202045100000000 ] - [ 0.0010156400000000, 0.0008374600000000, -0.0019682400000000 ] - [ -0.0004705200000000, -0.0019404900000000, 0.0023381300000000 ] - [ -0.0009311400000000, -0.0002690200000000, 0.0024887300000000 ] - [ -0.0004275200000000, -0.0009600100000000, -0.0018370200000000 ] - [ -0.0027343400000000, 0.0033737300000000, -0.0091320100000000 ] - [ 0.0011376800000000, -0.0031492800000000, 0.0052413500000000 ] - [ 0.0001628300000000, 0.0007449000000000, 0.0022114500000000 ] - [ 0.0013994600000000, -0.0017106700000000, -0.0022564300000000 ] - [ 0.0060173700000000, -0.0008925200000000, -0.0119217800000000 ] - [ -0.0018591600000000, 0.0045996100000000, 0.0056550400000000 ] - [ -0.0006070300000000, -0.0002203600000000, 0.0015815500000000 ] - [ 0.0006307000000000, 0.0010873200000000, -0.0005939400000000 ] - [ -0.0024603300000000, -0.0014180600000000, -0.0037709400000000 ] - [ 0.0030768000000000, 0.0029961800000000, 0.0039058300000000 ] - [ -0.0007725000000000, -0.0012811400000000, 0.0028962200000000 ] - [ -0.0009514100000000, 0.0007216100000000, -0.0016848500000000 ] - [ 0.0016074600000000, -0.0012162000000000, -0.0021212000000000 ] - [ -0.0000244800000000, 0.0003725600000000, 0.0011905300000000 ] - [ 0.0023686400000000, -0.0004065600000000, 0.0037063300000000 ] - [ -0.0019881400000000, 0.0027487500000000, -0.0029973100000000 ] - [ 0.0002580600000000, -0.0001117000000000, 0.0058635700000000 ] - [ -0.0319227300000000, -0.0173371300000000, -0.0405712800000000 ] - [ -0.0001071400000000, -0.0008284700000000, -0.0017763000000000 ] - [ 0.0001072600000000, 0.0004565000000000, 0.0008612900000000 ] - [ 0.0000303300000000, -0.0002062400000000, 0.0005030200000000 ] - [ -0.0000265200000000, -0.0014968200000000, -0.0006378300000000 ] - [ 0.0049604900000000, 0.0018244300000000, -0.0026682100000000 ] - [ -0.0025202900000000, -0.0008234600000000, 0.0026142000000000 ] - [ 0.0236000300000000, 0.0017656000000000, 0.0943586200000000 ] - [ 0.0001947100000000, 0.0000200900000000, -0.0032734000000000 ] - [ 0.0001616800000000, 0.0002204400000000, 0.0000386200000000 ] - [ -0.0001425700000000, 0.0000324100000000, 0.0000299100000000 ] - [ -0.0017861300000000, 0.0003765900000000, 0.0077039500000000 ] - [ -0.0001509900000000, -0.0000854000000000, -0.0033673700000000 ] - [ 0.0000676600000000, 0.0003326100000000, 0.0001371700000000 ] - [ 0.0000011300000000, 0.0005424300000000, 0.0001285800000000 ] - [ 0.0019422500000000, -0.0011380000000000, 0.0031156100000000 ] - [ -0.0003455300000000, 0.0004753000000000, -0.0018266900000000 ] - [ -0.0012312500000000, -0.0027753100000000, -0.0019074000000000 ] - [ -0.0013438400000000, 0.0038280800000000, -0.0029041900000000 ] - [ -0.0020885600000000, -0.0004163300000000, 0.0070707000000000 ] - [ 0.0005033600000000, 0.0001642000000000, -0.0024167600000000 ] - [ 0.0044160000000000, -0.0027537700000000, -0.0044262500000000 ] - [ -0.0006545500000000, 0.0009652000000000, 0.0001695300000000 ] - [ -0.0010238500000000, -0.0035065600000000, 0.0061769700000000 ] - [ -0.0000470700000000, -0.0000170700000000, -0.0021733800000000 ] - [ 0.0025464400000000, 0.0025510700000000, -0.0001563000000000 ] - [ -0.0000781300000000, -0.0014261500000000, -0.0001163500000000 ] - [ 0.0059040600000000, 0.0028702700000000, -0.0101709400000000 ] - [ -0.0067164200000000, -0.0036336400000000, -0.0138670100000000 ] - [ 0.0000661000000000, -0.0003013300000000, 0.0011438800000000 ] - [ 0.0001774700000000, 0.0000089400000000, -0.0008319500000000 ] - [ 0.0001746400000000, 0.0001871800000000, 0.0008604600000000 ] - [ 0.0002851200000000, 0.0001881900000000, -0.0006539800000000 ] - [ -0.0065617500000000, -0.0005807600000000, -0.0067353600000000 ] - [ 0.0051979000000000, -0.0010985800000000, -0.0067897200000000 ] - [ -0.0001910300000000, 0.0003543200000000, 0.0008052900000000 ] - [ -0.0003555900000000, 0.0005246600000000, -0.0009561700000000 ] - [ -0.0005512900000000, 0.0000524400000000, 0.0003604300000000 ] - [ 0.0005174200000000, -0.0001225400000000, 0.0003850200000000 ] - [ -0.0019425100000000, 0.0016477200000000, 0.0049835400000000 ] - [ 0.0006546900000000, -0.0005873600000000, -0.0026253600000000 ] - [ -0.0006379300000000, 0.0000317300000000, -0.0000595500000000 ] - [ -0.0003017900000000, -0.0007825300000000, 0.0001221100000000 ] - [ -0.0000966800000000, -0.0000107500000000, 0.0014688600000000 ] - [ -0.0010044400000000, -0.0002722800000000, -0.0022724500000000 ] - [ -0.0062443200000000, 0.0048999800000000, -0.0048337200000000 ] - [ 0.0004109800000000, -0.0013801900000000, 0.0004076900000000 ] - [ 0.0026136400000000, 0.0025419200000000, 0.0030258100000000 ] - [ -0.0000197800000000, -0.0001974100000000, -0.0009054600000000 ] - [ -0.0005382200000000, -0.0009606800000000, 0.0003985100000000 ] - [ 0.0025122300000000, 0.0012544200000000, -0.0023710700000000 ] - [ 0.0000374700000000, 0.0003316200000000, 0.0000679300000000 ] - [ 0.0001012900000000, 0.0004986500000000, 0.0001880100000000 ] - [ -0.0000297700000000, -0.0012162600000000, 0.0047066700000000 ] - [ 0.0002640200000000, -0.0001072200000000, -0.0030449100000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0267976900000000, -0.0100671000000000, -0.0175821100000000 ] - [ 0.0016264900000000, 0.0005110000000000, -0.0005584900000000 ] - [ -0.0029157400000000, 0.0008856400000000, -0.0005345600000000 ] - [ -0.0091675500000000, 0.0025938800000000, 0.0018141100000000 ] - [ -0.0102828700000000, -0.0040743500000000, -0.0023713700000000 ] - [ -0.0037146100000000, 0.0000452500000000, 0.0015636900000000 ] - [ 0.0011848600000000, -0.0003822500000000, 0.0011651900000000 ] - [ 0.0276559300000000, 0.0082376600000000, 0.0079171600000000 ] - [ 0.0236425600000000, -0.0043188100000000, 0.0018450100000000 ] - [ 0.0018053500000000, 0.0009409600000000, 0.0010859900000000 ] - [ 0.0021449400000000, -0.0012400100000000, -0.0008019900000000 ] - [ 0.0203164400000000, 0.0050774600000000, -0.0056458700000000 ] - [ -0.0018305300000000, 0.0016620000000000, -0.0002643600000000 ] - [ -0.0004352400000000, -0.0001226700000000, 0.0001132300000000 ] - [ 0.0007627000000000, 0.0008349600000000, 0.0007922700000000 ] - [ 0.0035380900000000, 0.0000809500000000, -0.0010019300000000 ] - [ 0.0020568000000000, 0.0006243500000000, 0.0006189700000000 ] - [ 0.0020495300000000, -0.0011415900000000, -0.0008777400000000 ] - [ -0.0007885700000000, 0.0000365700000000, 0.0002787800000000 ] - [ -0.0019446100000000, -0.0018242400000000, -0.0008353600000000 ] - [ -0.0014477400000000, 0.0026044600000000, 0.0001019700000000 ] - [ -0.0006617900000000, 0.0002283300000000, -0.0000235200000000 ] - [ -0.0003707000000000, -0.0002275600000000, 0.0000499600000000 ] - [ -0.0015809200000000, -0.0017672400000000, 0.0001346600000000 ] - [ 0.0001770700000000, -0.0000153400000000, -0.0023319300000000 ] - [ 0.0019241100000000, 0.0013364700000000, 0.0006140500000000 ] - [ 0.0014523400000000, -0.0006213200000000, -0.0034641100000000 ] - [ 0.0015330400000000, -0.0014399600000000, 0.0014098900000000 ] - [ -0.0003957500000000, -0.0001110100000000, 0.0025631200000000 ] - [ -0.0036153700000000, 0.0044966400000000, -0.0033301900000000 ] - [ -0.0015334200000000, -0.0022560100000000, 0.0016063400000000 ] - [ -0.0023838700000000, 0.0001120600000000, -0.0016781800000000 ] - [ 0.0014110400000000, -0.0030963700000000, -0.0019573300000000 ] - [ 0.0003201300000000, -0.0000668300000000, 0.0003230000000000 ] - [ -0.0052240000000000, -0.0027023200000000, -0.0013585500000000 ] - [ -0.0029488400000000, 0.0014150100000000, -0.0012559800000000 ] - [ -0.0076497700000000, -0.0001060000000000, -0.0020870000000000 ] - [ -0.0009052800000000, -0.0000390200000000, 0.0004797300000000 ] - [ 0.0002738600000000, 0.0007115400000000, 0.0006473600000000 ] - [ 0.0046549000000000, 0.0054397800000000, -0.0044446100000000 ] - [ -0.1204442900000000, 0.0025750500000000, 0.0159358800000000 ] - [ -0.0006223500000000, 0.0000399300000000, -0.0003816800000000 ] - [ 0.0033731900000000, 0.0026168500000000, 0.0045498300000000 ] - [ 0.0033718700000000, -0.0033132100000000, -0.0037778200000000 ] - [ 0.0274153100000000, -0.0002599300000000, 0.0008650600000000 ] - [ 0.0000088600000000, 0.0001774200000000, -0.0003094900000000 ] - [ -0.0098489700000000, 0.0028586100000000, -0.0003147400000000 ] - [ -0.0098509700000000, -0.0027492600000000, 0.0004169100000000 ] - [ -0.0006917200000000, 0.0001411900000000, 0.0000624200000000 ] - [ -0.0002856800000000, -0.0003645300000000, 0.0007025900000000 ] - [ -0.0004156000000000, -0.0006425100000000, 0.0004960800000000 ] - [ -0.0006577700000000, 0.0009470700000000, 0.0001671800000000 ] - [ -0.0012892700000000, -0.0053016800000000, 0.0037212300000000 ] - [ -0.0006958400000000, -0.0002790900000000, -0.0002913700000000 ] - [ -0.0001382400000000, 0.0050306100000000, 0.0012658000000000 ] - [ -0.0003279200000000, 0.0001411100000000, -0.0007607100000000 ] - [ 0.0014842400000000, -0.0066567900000000, 0.0019127900000000 ] - [ -0.0001978600000000, -0.0001342800000000, -0.0006591500000000 ] - [ 0.0012933500000000, 0.0004047700000000, -0.0003239200000000 ] - [ 0.0013291300000000, -0.0004972800000000, -0.0006529800000000 ] - [ 0.0027304100000000, -0.0006810700000000, -0.0001230700000000 ] - [ 0.0007312100000000, -0.0000348300000000, -0.0010131600000000 ] - [ -0.0004918100000000, 0.0006722800000000, -0.0004322300000000 ] - [ 0.0006375000000000, 0.0065458200000000, 0.0062388000000000 ] - [ 0.0012988700000000, -0.0000403800000000, 0.0000313100000000 ] - [ 0.0003884900000000, 0.0001116700000000, -0.0001709300000000 ] - [ -0.0003851800000000, -0.0005707000000000, -0.0002129200000000 ] - [ -0.0003850400000000, 0.0007781100000000, -0.0000863700000000 ] - [ -0.0007450400000000, -0.0007550600000000, -0.0002076600000000 ] - [ 0.0000228600000000, 0.0001412300000000, 0.0000362200000000 ] - [ 0.0009309700000000, -0.0007098700000000, -0.0002217100000000 ] - [ 0.0009289200000000, 0.0005341800000000, -0.0001263600000000 ] - [ 0.0175383800000000, -0.0018455100000000, 0.0021756300000000 ] - [ 0.0003585200000000, -0.0000904400000000, -0.0004944600000000 ] - [ 0.0029972000000000, 0.0021784100000000, -0.0020100400000000 ] - [ 0.0024807900000000, -0.0007089000000000, 0.0022978900000000 ] - [ 0.0082592500000000, -0.0038089200000000, -0.0028866100000000 ] - [ 0.0006556900000000, -0.0006116500000000, 0.0019322800000000 ] - [ 0.0032191100000000, 0.0020889800000000, -0.0010430000000000 ] - [ 0.0004887100000000, -0.0001823700000000, 0.0009732200000000 ]- atom: 41 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0273539800000000, 0.0105314600000000, 0.0186834000000000 ] - [ -0.0015631600000000, -0.0007030400000000, 0.0006321100000000 ] - [ 0.0028199100000000, -0.0006628900000000, 0.0006038800000000 ] - [ 0.0090731400000000, -0.0023227900000000, -0.0016862000000000 ] - [ 0.0101903700000000, 0.0038140000000000, 0.0023891200000000 ] - [ 0.0036170100000000, -0.0002659300000000, -0.0014666600000000 ] - [ -0.0011254400000000, 0.0005816400000000, -0.0010768900000000 ] - [ -0.0281825500000000, -0.0087952000000000, -0.0085092200000000 ] - [ -0.0229388400000000, 0.0038618700000000, -0.0012954900000000 ] - [ -0.0017689100000000, -0.0007390300000000, -0.0011733100000000 ] - [ -0.0021121300000000, 0.0010422200000000, 0.0007318500000000 ] - [ -0.0196520800000000, -0.0047440100000000, 0.0047087600000000 ] - [ 0.0019288000000000, -0.0018716000000000, 0.0003483900000000 ] - [ 0.0005354300000000, -0.0000996500000000, -0.0000321400000000 ] - [ -0.0008584700000000, -0.0006110800000000, -0.0007078600000000 ] - [ -0.0036382200000000, 0.0001520600000000, 0.0010717000000000 ] - [ -0.0021569800000000, -0.0008576900000000, -0.0005141000000000 ] - [ -0.0021499000000000, 0.0009183100000000, 0.0009589300000000 ] - [ 0.0008873500000000, 0.0001860400000000, -0.0001961900000000 ] - [ 0.0020523400000000, 0.0020370800000000, 0.0009113800000000 ] - [ 0.0014368900000000, -0.0023936900000000, -0.0001764100000000 ] - [ 0.0006587300000000, -0.0000108000000000, -0.0000480900000000 ] - [ 0.0003659800000000, 0.0000145800000000, -0.0001255200000000 ] - [ 0.0015754500000000, 0.0015619600000000, -0.0002112000000000 ] - [ -0.0001749000000000, -0.0000900500000000, 0.0018279200000000 ] - [ -0.0018857400000000, -0.0014354800000000, -0.0011286100000000 ] - [ -0.0014413200000000, 0.0007267900000000, 0.0029630000000000 ] - [ -0.0015254300000000, 0.0015245500000000, -0.0019034500000000 ] - [ 0.0003971300000000, 0.0000091000000000, -0.0030888700000000 ] - [ 0.0035871100000000, -0.0046390600000000, 0.0028423100000000 ] - [ 0.0015298500000000, 0.0023688400000000, -0.0021333600000000 ] - [ 0.0023833000000000, -0.0000169100000000, 0.0011794700000000 ] - [ -0.0011804100000000, 0.0029702500000000, 0.0019868900000000 ] - [ -0.0001181200000000, -0.0000577700000000, -0.0003106600000000 ] - [ 0.0050035600000000, 0.0028115200000000, 0.0013890500000000 ] - [ 0.0027254400000000, -0.0012912800000000, 0.0012648600000000 ] - [ 0.0073928000000000, 0.0001300200000000, 0.0021256200000000 ] - [ 0.0006983400000000, -0.0000832400000000, -0.0004725700000000 ] - [ -0.0000366700000000, -0.0005960200000000, -0.0006031200000000 ] - [ -0.0044243300000000, -0.0052886800000000, 0.0044386000000000 ] - [ 0.1200822000000000, -0.0022717700000000, -0.0161165600000000 ] - [ 0.0005630700000000, 0.0001604600000000, 0.0002522000000000 ] - [ -0.0033292600000000, -0.0028248200000000, -0.0046655400000000 ] - [ -0.0033278100000000, 0.0031110800000000, 0.0036274200000000 ] - [ -0.0269673900000000, 0.0004605600000000, -0.0009809100000000 ] - [ 0.0000402300000000, 0.0000263800000000, 0.0001765200000000 ] - [ 0.0097990900000000, -0.0030508400000000, 0.0000160800000000 ] - [ 0.0097941400000000, 0.0025664300000000, -0.0003781700000000 ] - [ 0.0006792000000000, -0.0002941000000000, 0.0002077500000000 ] - [ 0.0002852200000000, 0.0002582800000000, -0.0004587500000000 ] - [ 0.0004133000000000, 0.0008058200000000, -0.0002265800000000 ] - [ 0.0006542900000000, -0.0008453100000000, 0.0000729400000000 ] - [ 0.0012764900000000, 0.0053258700000000, -0.0032850000000000 ] - [ 0.0006906000000000, 0.0003561300000000, 0.0006539600000000 ] - [ 0.0001128500000000, -0.0051123200000000, -0.0009084600000000 ] - [ 0.0003265100000000, -0.0002046900000000, 0.0011771400000000 ] - [ -0.0012345000000000, 0.0065347000000000, -0.0019053300000000 ] - [ 0.0004421700000000, 0.0000200200000000, 0.0006964500000000 ] - [ -0.0015022900000000, -0.0002815700000000, 0.0003371400000000 ] - [ -0.0015766100000000, 0.0005939600000000, 0.0006768000000000 ] - [ -0.0029412400000000, 0.0005793300000000, 0.0001354200000000 ] - [ -0.0009721700000000, -0.0000734200000000, 0.0010433100000000 ] - [ 0.0007107100000000, -0.0005442500000000, 0.0004434300000000 ] - [ -0.0003930800000000, -0.0064814000000000, -0.0062414000000000 ] - [ -0.0013564000000000, 0.0002445200000000, -0.0001623300000000 ] - [ -0.0004456400000000, 0.0000914400000000, 0.0000388800000000 ] - [ 0.0004479800000000, 0.0003686200000000, 0.0000780000000000 ] - [ 0.0004454800000000, -0.0009855200000000, -0.0000436500000000 ] - [ 0.0008098400000000, 0.0009610500000000, 0.0000749800000000 ] - [ 0.0000344800000000, 0.0000606100000000, -0.0001675300000000 ] - [ -0.0009879100000000, 0.0005024400000000, 0.0000896000000000 ] - [ -0.0009868600000000, -0.0007387800000000, -0.0000070400000000 ] - [ -0.0177402100000000, 0.0017711800000000, -0.0019729300000000 ] - [ -0.0003528700000000, -0.0000640800000000, 0.0007657600000000 ] - [ -0.0029917700000000, -0.0020750300000000, 0.0022698100000000 ] - [ -0.0024698400000000, 0.0008754300000000, -0.0020342800000000 ] - [ -0.0082586800000000, 0.0038788500000000, 0.0032382100000000 ] - [ -0.0006474400000000, 0.0006779300000000, -0.0015395400000000 ] - [ -0.0032146100000000, -0.0021635400000000, 0.0014521300000000 ] - [ -0.0004826100000000, 0.0001139300000000, -0.0006272700000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0102111600000000, 0.0181339000000000, 0.0139534500000000 ] - [ 0.0001355300000000, 0.0032343400000000, 0.0005621400000000 ] - [ 0.0008822900000000, 0.0008271200000000, 0.0007461500000000 ] - [ -0.0011094700000000, 0.0035395900000000, -0.0011662400000000 ] - [ 0.0017726000000000, 0.0029397700000000, -0.0006770300000000 ] - [ -0.0013138700000000, 0.0018109100000000, 0.0011052800000000 ] - [ -0.0006006800000000, 0.0016204700000000, 0.0003206500000000 ] - [ 0.0115652300000000, 0.0244862400000000, 0.0083524600000000 ] - [ -0.0053690000000000, 0.0245327800000000, -0.0031025400000000 ] - [ 0.0016428600000000, 0.0014831200000000, -0.0004702400000000 ] - [ -0.0010729800000000, 0.0028999300000000, -0.0008900900000000 ] - [ 0.0062321900000000, 0.0190808500000000, -0.0055134200000000 ] - [ 0.0014945000000000, -0.0032751600000000, 0.0007918700000000 ] - [ 0.0006239000000000, -0.0018722600000000, -0.0002902400000000 ] - [ 0.0004260200000000, -0.0024858800000000, -0.0010449100000000 ] - [ 0.0000525000000000, -0.0067594800000000, 0.0023136300000000 ] - [ -0.0021596200000000, -0.0065902700000000, 0.0033684300000000 ] - [ 0.0004462300000000, -0.0028803000000000, -0.0011886100000000 ] - [ 0.0000750100000000, -0.0014115800000000, -0.0003526500000000 ] - [ -0.0014520000000000, -0.0037436600000000, 0.0005246200000000 ] - [ 0.0013929500000000, -0.0040389100000000, -0.0009341600000000 ] - [ -0.0001859100000000, -0.0011928500000000, 0.0001822700000000 ] - [ -0.0003204500000000, -0.0015068800000000, 0.0001625300000000 ] - [ -0.0013676600000000, -0.0034925300000000, -0.0001695800000000 ] - [ 0.0001319200000000, -0.0007212500000000, 0.0014909700000000 ] - [ 0.0055591800000000, -0.0044296100000000, -0.0038860700000000 ] - [ -0.0025082400000000, -0.0038386900000000, -0.0037256800000000 ] - [ 0.0001133600000000, -0.0015287200000000, 0.0009977300000000 ] - [ 0.0001168100000000, 0.0008826100000000, -0.0028625700000000 ] - [ 0.0041469200000000, 0.0018002200000000, 0.0021158500000000 ] - [ -0.0014317100000000, 0.0015458600000000, 0.0022516400000000 ] - [ -0.0019480500000000, 0.0004227700000000, -0.0019556500000000 ] - [ -0.0027439500000000, 0.0009682700000000, 0.0012544200000000 ] - [ -0.0001659500000000, -0.0001664400000000, -0.0003674900000000 ] - [ 0.0017874900000000, 0.0028031100000000, 0.0039502000000000 ] - [ -0.0007566100000000, 0.0009006100000000, -0.0026873000000000 ] - [ -0.0029983800000000, 0.0238667700000000, 0.0004861800000000 ] - [ -0.0001225700000000, -0.0002488400000000, -0.0000590200000000 ] - [ 0.0006963900000000, -0.0004131000000000, 0.0010917100000000 ] - [ 0.0025408200000000, 0.0029787300000000, -0.0026407600000000 ] - [ 0.0025400800000000, -0.0967531900000000, -0.0137399000000000 ] - [ -0.0000890300000000, -0.0006754900000000, -0.0000516300000000 ] - [ -0.0031796000000000, -0.0046198400000000, -0.0030816700000000 ] - [ 0.0027525900000000, -0.0046483800000000, -0.0018799900000000 ] - [ 0.0003379100000000, -0.0071649800000000, 0.0019755700000000 ] - [ -0.0000500200000000, -0.0006137000000000, -0.0007974900000000 ] - [ 0.0026321800000000, -0.0087521000000000, -0.0038321500000000 ] - [ -0.0029801500000000, -0.0087481600000000, 0.0047923400000000 ] - [ -0.0013463500000000, 0.0046883700000000, 0.0002189200000000 ] - [ -0.0001186800000000, 0.0010731300000000, 0.0001117100000000 ] - [ 0.0000543600000000, 0.0025659400000000, 0.0003975300000000 ] - [ -0.0000357600000000, 0.0018688700000000, -0.0003009600000000 ] - [ 0.0001924900000000, 0.0038282700000000, -0.0027722700000000 ] - [ -0.0009617900000000, 0.0007133500000000, 0.0024068500000000 ] - [ 0.0036037200000000, 0.0075519700000000, -0.0003498500000000 ] - [ 0.0001100800000000, 0.0001504300000000, -0.0003102800000000 ] - [ -0.0061553800000000, 0.0081610100000000, -0.0015280500000000 ] - [ 0.0001113600000000, -0.0001278300000000, 0.0007064400000000 ] - [ -0.0003403600000000, 0.0000729700000000, -0.0006617100000000 ] - [ 0.0006686200000000, 0.0001461900000000, 0.0001515200000000 ] - [ -0.0009128800000000, -0.0002476200000000, 0.0001164300000000 ] - [ -0.0002657500000000, 0.0000901100000000, 0.0003884800000000 ] - [ 0.0009997800000000, 0.0001037800000000, -0.0012552200000000 ] - [ 0.0006902400000000, 0.0053725900000000, 0.0050345600000000 ] - [ -0.0001708500000000, 0.0019204200000000, -0.0000308200000000 ] - [ -0.0000188200000000, 0.0008748700000000, 0.0000534100000000 ] - [ 0.0009065700000000, 0.0019560500000000, -0.0004126200000000 ] - [ -0.0004434600000000, 0.0019592300000000, -0.0006875700000000 ] - [ 0.0008828400000000, 0.0038690100000000, 0.0003245500000000 ] - [ -0.0000126800000000, 0.0011384200000000, 0.0003148300000000 ] - [ -0.0006671200000000, 0.0013295400000000, 0.0001671700000000 ] - [ 0.0005791900000000, 0.0013303000000000, -0.0004631100000000 ] - [ -0.0017680100000000, -0.0052339800000000, -0.0017367100000000 ] - [ 0.0000449600000000, -0.0011787900000000, 0.0005786900000000 ] - [ -0.0015067100000000, -0.0035891200000000, 0.0005294000000000 ] - [ 0.0026177400000000, -0.0025476100000000, 0.0025633000000000 ] - [ -0.0057789200000000, 0.0040522900000000, 0.0030374900000000 ] - [ -0.0001697400000000, -0.0006743300000000, -0.0010165000000000 ] - [ 0.0031384800000000, 0.0007943700000000, -0.0019002800000000 ] - [ 0.0001124100000000, -0.0001978600000000, 0.0009016500000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0098233800000000, -0.0182253900000000, -0.0133494700000000 ] - [ -0.0000702300000000, -0.0034301500000000, -0.0004843900000000 ] - [ -0.0009706600000000, -0.0006084100000000, -0.0006692600000000 ] - [ 0.0010364400000000, -0.0033506900000000, 0.0012363100000000 ] - [ -0.0018543100000000, -0.0031495900000000, 0.0007848600000000 ] - [ 0.0012294100000000, -0.0020390500000000, -0.0010212800000000 ] - [ 0.0006585700000000, -0.0014219000000000, -0.0002302300000000 ] - [ -0.0122969100000000, -0.0248836800000000, -0.0089979200000000 ] - [ 0.0060336600000000, -0.0248631200000000, 0.0035794600000000 ] - [ -0.0016150700000000, -0.0012863600000000, 0.0003793700000000 ] - [ 0.0010947800000000, -0.0030954500000000, 0.0008162100000000 ] - [ -0.0058478400000000, -0.0191106300000000, 0.0050446900000000 ] - [ -0.0014139900000000, 0.0030510000000000, -0.0007152100000000 ] - [ -0.0005406600000000, 0.0016448900000000, 0.0003776800000000 ] - [ -0.0005135100000000, 0.0027178600000000, 0.0011226800000000 ] - [ -0.0001374800000000, 0.0069747600000000, -0.0022108000000000 ] - [ 0.0020826500000000, 0.0063874200000000, -0.0033195100000000 ] - [ -0.0005311700000000, 0.0026502500000000, 0.0012804800000000 ] - [ 0.0000119800000000, 0.0016454500000000, 0.0004331900000000 ] - [ 0.0015256500000000, 0.0039753400000000, -0.0004291100000000 ] - [ -0.0013821800000000, 0.0042649400000000, 0.0008412600000000 ] - [ 0.0001874500000000, 0.0014226600000000, -0.0002574800000000 ] - [ 0.0003210100000000, 0.0012839700000000, -0.0002478800000000 ] - [ 0.0013765800000000, 0.0032723500000000, 0.0001013600000000 ] - [ -0.0001287300000000, 0.0006076000000000, -0.0020121900000000 ] - [ -0.0056069500000000, 0.0043300100000000, 0.0033955500000000 ] - [ 0.0024965600000000, 0.0039408800000000, 0.0031700400000000 ] - [ -0.0001209600000000, 0.0016384000000000, -0.0015205800000000 ] - [ -0.0001147000000000, -0.0009884600000000, 0.0023409800000000 ] - [ -0.0041308100000000, -0.0018704400000000, -0.0026202900000000 ] - [ 0.0014354300000000, -0.0014559200000000, -0.0027756000000000 ] - [ 0.0019498900000000, -0.0003154000000000, 0.0014446300000000 ] - [ 0.0029842500000000, -0.0010714200000000, -0.0012280400000000 ] - [ 0.0003724300000000, 0.0000465600000000, 0.0003862600000000 ] - [ -0.0020331000000000, -0.0026968700000000, -0.0038979300000000 ] - [ 0.0005549400000000, -0.0007833000000000, 0.0026879700000000 ] - [ 0.0027929600000000, -0.0243919200000000, -0.0004786600000000 ] - [ -0.0000876000000000, 0.0001305800000000, 0.0000731900000000 ] - [ -0.0004576000000000, 0.0005178600000000, -0.0010531300000000 ] - [ -0.0023526100000000, -0.0028699300000000, 0.0026721900000000 ] - [ -0.0023066300000000, 0.0980315600000000, 0.0136909400000000 ] - [ 0.0000261100000000, 0.0008754700000000, -0.0000751000000000 ] - [ 0.0032487700000000, 0.0044491100000000, 0.0029682600000000 ] - [ -0.0026856600000000, 0.0044199100000000, 0.0017469600000000 ] - [ -0.0003787800000000, 0.0073753400000000, -0.0021105900000000 ] - [ 0.0001055000000000, 0.0008177600000000, 0.0006707900000000 ] - [ -0.0026879700000000, 0.0085801200000000, 0.0035619300000000 ] - [ 0.0029262900000000, 0.0085837100000000, -0.0047739100000000 ] - [ 0.0013639800000000, -0.0048445800000000, 0.0000429800000000 ] - [ 0.0001189700000000, -0.0011755300000000, 0.0001328900000000 ] - [ -0.0000516600000000, -0.0024271700000000, -0.0001272500000000 ] - [ 0.0000374500000000, -0.0017693200000000, 0.0005372000000000 ] - [ -0.0001892300000000, -0.0037604500000000, 0.0031778200000000 ] - [ 0.0009664800000000, -0.0006437700000000, -0.0020509900000000 ] - [ -0.0035620300000000, -0.0075638900000000, 0.0007025400000000 ] - [ -0.0001081600000000, -0.0002127700000000, 0.0007162600000000 ] - [ 0.0062929200000000, -0.0082299300000000, 0.0015404800000000 ] - [ 0.0001144700000000, 0.0000037800000000, -0.0006720100000000 ] - [ 0.0001216000000000, 0.0000503600000000, 0.0006895300000000 ] - [ -0.0008984300000000, -0.0000239900000000, -0.0001212400000000 ] - [ 0.0007047200000000, 0.0001021500000000, -0.0001025400000000 ] - [ 0.0000382900000000, -0.0002096200000000, -0.0003597400000000 ] - [ -0.0007825200000000, 0.0000266800000000, 0.0012894800000000 ] - [ -0.0004548700000000, -0.0052564700000000, -0.0049994900000000 ] - [ 0.0001092100000000, -0.0017169600000000, -0.0000973000000000 ] - [ -0.0000429200000000, -0.0006716500000000, -0.0001814400000000 ] - [ -0.0008515100000000, -0.0021671200000000, 0.0002927900000000 ] - [ 0.0005016400000000, -0.0021629100000000, 0.0005520100000000 ] - [ -0.0008299000000000, -0.0036701700000000, -0.0004515500000000 ] - [ 0.0000722100000000, -0.0009344000000000, -0.0004412500000000 ] - [ 0.0006014300000000, -0.0015357900000000, -0.0002896300000000 ] - [ -0.0006393900000000, -0.0015349000000000, 0.0003277900000000 ] - [ 0.0018199800000000, 0.0051227000000000, 0.0019916000000000 ] - [ -0.0000415600000000, 0.0010401200000000, -0.0003176700000000 ] - [ 0.0015012400000000, 0.0037049800000000, -0.0002774700000000 ] - [ -0.0026334000000000, 0.0027086300000000, -0.0023226900000000 ] - [ 0.0057982300000000, -0.0039903500000000, -0.0026863600000000 ] - [ 0.0001687400000000, 0.0007255900000000, 0.0014214000000000 ] - [ -0.0031471700000000, -0.0008515100000000, 0.0022892900000000 ] - [ -0.0001073600000000, 0.0001405400000000, -0.0005341300000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0140213800000000, 0.0079353400000000, 0.0352759600000000 ] - [ -0.0041391200000000, 0.0042292100000000, -0.0073349700000000 ] - [ -0.0002068700000000, 0.0012616400000000, -0.0032241100000000 ] - [ -0.0004096700000000, -0.0010901500000000, 0.0030570900000000 ] - [ 0.0012262100000000, 0.0001744800000000, 0.0041600400000000 ] - [ 0.0014193200000000, 0.0004508900000000, -0.0036684600000000 ] - [ 0.0041381600000000, 0.0043520500000000, -0.0074387100000000 ] - [ 0.0087721100000000, 0.0063207600000000, 0.0235186100000000 ] - [ 0.0037650800000000, -0.0045555600000000, 0.0216959900000000 ] - [ 0.0035938800000000, -0.0031650300000000, -0.0077574000000000 ] - [ -0.0042213800000000, -0.0031290300000000, -0.0075811800000000 ] - [ -0.0053694300000000, -0.0039232900000000, 0.0228849600000000 ] - [ -0.0007713100000000, 0.0008072500000000, 0.0014785800000000 ] - [ 0.0001757400000000, -0.0004014900000000, -0.0013353800000000 ] - [ 0.0003190500000000, -0.0016297100000000, -0.0025552600000000 ] - [ -0.0010174400000000, 0.0014049600000000, 0.0022346400000000 ] - [ 0.0002933400000000, 0.0002033000000000, 0.0024344500000000 ] - [ 0.0007596000000000, -0.0012559300000000, -0.0021449600000000 ] - [ 0.0001059200000000, -0.0005519600000000, -0.0015938100000000 ] - [ 0.0008297400000000, 0.0015456600000000, 0.0021575400000000 ] - [ 0.0002841800000000, -0.0020942700000000, 0.0022285500000000 ] - [ 0.0000039100000000, 0.0003195900000000, -0.0015473300000000 ] - [ 0.0001738200000000, 0.0001868700000000, -0.0012871500000000 ] - [ -0.0009077700000000, -0.0018188300000000, 0.0013470500000000 ] - [ -0.0003686800000000, 0.0003120000000000, -0.0026592600000000 ] - [ 0.0014111900000000, -0.0010308900000000, 0.0011036100000000 ] - [ -0.0022234300000000, -0.0026903400000000, 0.0028213800000000 ] - [ -0.0002756700000000, 0.0020459100000000, -0.0034216800000000 ] - [ 0.0001247300000000, 0.0000024100000000, -0.0048726600000000 ] - [ -0.0004943700000000, 0.0014009600000000, 0.0017419100000000 ] - [ 0.0009767300000000, 0.0025581900000000, 0.0030580700000000 ] - [ -0.0017926000000000, -0.0008537400000000, -0.0034178400000000 ] - [ 0.0013037200000000, -0.0010995600000000, -0.0031724100000000 ] - [ -0.0004759600000000, 0.0003218000000000, 0.0017639100000000 ] - [ 0.0033504400000000, 0.0056616900000000, 0.0028613500000000 ] - [ 0.0009148600000000, -0.0035648400000000, 0.0018488500000000 ] - [ -0.0021190200000000, 0.0027427400000000, -0.0071130800000000 ] - [ 0.0004233600000000, -0.0004112900000000, 0.0023567900000000 ] - [ 0.0005606800000000, 0.0008802100000000, -0.0002133200000000 ] - [ -0.0040013300000000, -0.0053458000000000, 0.0043469200000000 ] - [ 0.0161965000000000, -0.0137437700000000, -0.1466489300000000 ] - [ -0.0003442300000000, 0.0001190200000000, 0.0078899200000000 ] - [ 0.0037301800000000, 0.0017060900000000, 0.0020831200000000 ] - [ -0.0045683200000000, 0.0029173700000000, 0.0021038700000000 ] - [ -0.0009540300000000, 0.0021474100000000, -0.0085125900000000 ] - [ 0.0002771400000000, -0.0006329000000000, 0.0034471100000000 ] - [ 0.0003762300000000, -0.0049404800000000, 0.0305855800000000 ] - [ -0.0001976800000000, 0.0035429300000000, 0.0300531800000000 ] - [ -0.0001470300000000, -0.0003888400000000, -0.0005686100000000 ] - [ 0.0000098600000000, -0.0000618600000000, 0.0012100700000000 ] - [ 0.0003476000000000, 0.0007453300000000, -0.0001605700000000 ] - [ -0.0000368100000000, -0.0009499500000000, 0.0001141800000000 ] - [ -0.0005188000000000, -0.0039514900000000, 0.0024368500000000 ] - [ -0.0005446900000000, 0.0011807100000000, 0.0000291400000000 ] - [ 0.0004299800000000, -0.0019416500000000, -0.0041036500000000 ] - [ 0.0000962700000000, 0.0005368600000000, 0.0029758100000000 ] - [ 0.0003525100000000, 0.0014718300000000, -0.0050606500000000 ] - [ 0.0003500000000000, -0.0006778400000000, 0.0025840600000000 ] - [ -0.0001099200000000, -0.0008036600000000, -0.0001781000000000 ] - [ 0.0005103900000000, 0.0008109400000000, 0.0000166400000000 ] - [ -0.0005136200000000, 0.0001162800000000, -0.0015314300000000 ] - [ -0.0006879200000000, -0.0001715900000000, 0.0022341800000000 ] - [ -0.0005156500000000, -0.0014729900000000, -0.0004699000000000 ] - [ 0.0006377100000000, 0.0053512500000000, 0.0048155300000000 ] - [ 0.0000689800000000, 0.0001338400000000, -0.0013114800000000 ] - [ -0.0001328000000000, 0.0002185100000000, 0.0008706900000000 ] - [ 0.0000503000000000, 0.0005210500000000, -0.0001117100000000 ] - [ 0.0001739500000000, 0.0002530000000000, -0.0001027300000000 ] - [ 0.0001719600000000, 0.0004901500000000, -0.0012877800000000 ] - [ -0.0000748600000000, 0.0004797100000000, 0.0011485000000000 ] - [ -0.0000873000000000, 0.0002944600000000, -0.0000081400000000 ] - [ -0.0001836300000000, -0.0003282700000000, -0.0000013400000000 ] - [ 0.0016762200000000, -0.0021087200000000, -0.0049472300000000 ] - [ -0.0002001000000000, 0.0002964200000000, 0.0026218200000000 ] - [ -0.0033025300000000, -0.0029304000000000, 0.0004957300000000 ] - [ 0.0024574200000000, -0.0006638100000000, 0.0020703500000000 ] - [ -0.0087883500000000, 0.0060305700000000, 0.0051692600000000 ] - [ 0.0001917500000000, -0.0006302500000000, -0.0004431500000000 ] - [ 0.0023720000000000, 0.0014431500000000, -0.0041095400000000 ] - [ -0.0006789900000000, -0.0009146000000000, 0.0025646700000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0129393700000000, -0.0072778100000000, -0.0341834400000000 ] - [ 0.0042690400000000, -0.0044983500000000, 0.0074289600000000 ] - [ 0.0001204200000000, -0.0010336000000000, 0.0033168700000000 ] - [ 0.0003276300000000, 0.0012942700000000, -0.0030100900000000 ] - [ -0.0012936200000000, -0.0003809600000000, -0.0040303500000000 ] - [ -0.0015164000000000, -0.0006770200000000, 0.0037451400000000 ] - [ -0.0040054900000000, -0.0040839400000000, 0.0075058200000000 ] - [ -0.0093369200000000, -0.0067675000000000, -0.0238897800000000 ] - [ -0.0032018200000000, 0.0042628100000000, -0.0213669000000000 ] - [ -0.0036386100000000, 0.0034189200000000, 0.0076904600000000 ] - [ 0.0041780400000000, 0.0028752400000000, 0.0075050000000000 ] - [ 0.0062863800000000, 0.0043122200000000, -0.0237536700000000 ] - [ 0.0008658000000000, -0.0010318500000000, -0.0013838900000000 ] - [ -0.0000909600000000, 0.0001761500000000, 0.0014090700000000 ] - [ -0.0004055200000000, 0.0018439100000000, 0.0026461300000000 ] - [ 0.0009346500000000, -0.0011742300000000, -0.0021821200000000 ] - [ -0.0003920800000000, -0.0004464400000000, -0.0023188700000000 ] - [ -0.0008408600000000, 0.0010321700000000, 0.0022134800000000 ] - [ -0.0000171100000000, 0.0007717900000000, 0.0016868100000000 ] - [ -0.0007385900000000, -0.0013225600000000, -0.0020974900000000 ] - [ -0.0002924800000000, 0.0023132500000000, -0.0022846000000000 ] - [ -0.0000045500000000, -0.0001053600000000, 0.0014596400000000 ] - [ -0.0001744400000000, -0.0004022400000000, 0.0012121400000000 ] - [ 0.0009014200000000, 0.0015996200000000, -0.0014316400000000 ] - [ 0.0003651800000000, -0.0004072100000000, 0.0021446100000000 ] - [ -0.0013765600000000, 0.0009197700000000, -0.0016515800000000 ] - [ 0.0022212000000000, 0.0028021100000000, -0.0033170200000000 ] - [ 0.0002775500000000, -0.0019580300000000, 0.0028999700000000 ] - [ -0.0001213500000000, -0.0001129300000000, 0.0043404100000000 ] - [ 0.0004789100000000, -0.0014863300000000, -0.0022925900000000 ] - [ -0.0009786000000000, -0.0024560700000000, -0.0035709700000000 ] - [ 0.0017945200000000, 0.0009654000000000, 0.0028883000000000 ] - [ -0.0010781600000000, 0.0009934400000000, 0.0031972300000000 ] - [ 0.0006880300000000, -0.0004573100000000, -0.0017526100000000 ] - [ -0.0035719700000000, -0.0055287000000000, -0.0028288200000000 ] - [ -0.0011251900000000, 0.0037127900000000, -0.0018277300000000 ] - [ 0.0018700800000000, -0.0027091600000000, 0.0071660400000000 ] - [ -0.0006262200000000, 0.0002697100000000, -0.0023394700000000 ] - [ -0.0003251600000000, -0.0007682000000000, 0.0002334200000000 ] - [ 0.0042336700000000, 0.0055102100000000, -0.0043630000000000 ] - [ -0.0158557900000000, 0.0136841100000000, 0.1463135600000000 ] - [ 0.0002850600000000, 0.0000966400000000, -0.0080206500000000 ] - [ -0.0036705600000000, -0.0019219000000000, -0.0022391800000000 ] - [ 0.0046515200000000, -0.0031343300000000, -0.0022190600000000 ] - [ 0.0008955200000000, -0.0019367800000000, 0.0083996100000000 ] - [ -0.0002051700000000, 0.0008366200000000, -0.0035788400000000 ] - [ -0.0004242000000000, 0.0046255100000000, -0.0301829500000000 ] - [ 0.0001297600000000, -0.0038535100000000, -0.0307165000000000 ] - [ 0.0001363000000000, 0.0002497500000000, 0.0008378200000000 ] - [ -0.0000089700000000, -0.0000440300000000, -0.0009645300000000 ] - [ -0.0003469900000000, -0.0005980800000000, 0.0004179500000000 ] - [ 0.0000352900000000, 0.0010629500000000, 0.0001368900000000 ] - [ 0.0005179700000000, 0.0040205400000000, -0.0020521800000000 ] - [ 0.0005420900000000, -0.0011224800000000, 0.0003518800000000 ] - [ -0.0004518900000000, 0.0018454900000000, 0.0044836500000000 ] - [ -0.0000964500000000, -0.0005869100000000, -0.0025751500000000 ] - [ -0.0001131600000000, -0.0016399800000000, 0.0050678000000000 ] - [ -0.0001195000000000, 0.0005758800000000, -0.0025513600000000 ] - [ -0.0001019400000000, 0.0009237100000000, 0.0001918800000000 ] - [ -0.0007445700000000, -0.0006983000000000, 0.0000285800000000 ] - [ 0.0003117900000000, -0.0002520600000000, 0.0015463800000000 ] - [ 0.0004534700000000, 0.0000653400000000, -0.0021967700000000 ] - [ 0.0007268400000000, 0.0015863100000000, 0.0004740400000000 ] - [ -0.0003961400000000, -0.0052223400000000, -0.0047638400000000 ] - [ -0.0001297200000000, 0.0000689600000000, 0.0011822600000000 ] - [ 0.0000727000000000, -0.0000145300000000, -0.0009987700000000 ] - [ 0.0000128400000000, -0.0007197100000000, -0.0000271900000000 ] - [ -0.0001129700000000, -0.0004541000000000, -0.0000171700000000 ] - [ -0.0001060800000000, -0.0002849700000000, 0.0011578600000000 ] - [ 0.0001333100000000, -0.0002742400000000, -0.0012746300000000 ] - [ 0.0000278800000000, -0.0004974300000000, -0.0001287400000000 ] - [ 0.0001229500000000, 0.0001258900000000, -0.0001204200000000 ] - [ -0.0016036500000000, 0.0019945500000000, 0.0052020000000000 ] - [ 0.0001923600000000, -0.0004386200000000, -0.0023568400000000 ] - [ 0.0032891400000000, 0.0030342900000000, -0.0002621700000000 ] - [ -0.0024602400000000, 0.0008049200000000, -0.0017882800000000 ] - [ 0.0087194300000000, -0.0059204200000000, -0.0047631200000000 ] - [ -0.0001961800000000, 0.0006925100000000, 0.0008650200000000 ] - [ -0.0023783900000000, -0.0015039700000000, 0.0045222400000000 ] - [ 0.0006671500000000, 0.0008367200000000, -0.0021939600000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002062100000000, -0.0005562000000000, 0.0009239600000000 ] - [ -0.0006875400000000, -0.0005036600000000, -0.0004338200000000 ] - [ 0.0000462000000000, -0.0006433500000000, -0.0006986700000000 ] - [ -0.0026177000000000, -0.0020951900000000, 0.0021843400000000 ] - [ -0.0002820900000000, 0.0003457100000000, -0.0008477500000000 ] - [ -0.0007764700000000, 0.0002924700000000, 0.0005212400000000 ] - [ 0.0001266400000000, 0.0008663200000000, 0.0007724300000000 ] - [ -0.0025519100000000, 0.0023381700000000, -0.0021127400000000 ] - [ 0.0051373300000000, 0.0001289100000000, -0.0000239800000000 ] - [ 0.0005374000000000, 0.0001247300000000, -0.0000477300000000 ] - [ 0.0005335300000000, -0.0001091400000000, -0.0000370700000000 ] - [ 0.0019337800000000, -0.0001010900000000, -0.0000421800000000 ] - [ 0.0019861300000000, -0.0042896900000000, -0.0104610300000000 ] - [ 0.0010070000000000, -0.0010610600000000, 0.0023814400000000 ] - [ 0.0008854700000000, -0.0004548600000000, 0.0007760800000000 ] - [ 0.0049894800000000, -0.0083331400000000, -0.0033135400000000 ] - [ 0.0015540200000000, 0.0041163800000000, 0.0108180600000000 ] - [ 0.0008737800000000, 0.0008051300000000, -0.0022959500000000 ] - [ 0.0009993900000000, 0.0006815200000000, -0.0006912800000000 ] - [ 0.0054553100000000, 0.0082802100000000, 0.0032314600000000 ] - [ -0.0069063200000000, 0.0001271500000000, -0.0000613500000000 ] - [ -0.0023205300000000, 0.0001144000000000, -0.0000272000000000 ] - [ -0.0028484600000000, -0.0001129600000000, -0.0000451600000000 ] - [ -0.0085155600000000, -0.0001372500000000, -0.0000108700000000 ] - [ 0.0004477000000000, -0.0000521800000000, -0.0002556900000000 ] - [ 0.0187106000000000, -0.0002186900000000, -0.0001617700000000 ] - [ 0.0015612500000000, 0.0000467600000000, -0.0002694400000000 ] - [ 0.0016890300000000, 0.0000347500000000, -0.0002582900000000 ] - [ -0.0002827600000000, -0.0000517600000000, -0.0002669700000000 ] - [ -0.0028909600000000, -0.0000418100000000, -0.0002463600000000 ] - [ -0.0035822100000000, 0.0000476800000000, -0.0002572700000000 ] - [ -0.0008667600000000, 0.0000500300000000, -0.0002613400000000 ] - [ 0.0022668100000000, 0.0136405200000000, 0.0010603300000000 ] - [ -0.0002273900000000, 0.0000179300000000, 0.0000506100000000 ] - [ -0.0005804000000000, 0.0000711100000000, -0.0000582300000000 ] - [ -0.0019668700000000, 0.0021099200000000, 0.0025441200000000 ] - [ 0.0020992700000000, -0.0137329700000000, -0.0010350100000000 ] - [ -0.0004110500000000, -0.0001572900000000, -0.0000449800000000 ] - [ -0.0003413400000000, 0.0000389600000000, 0.0000971000000000 ] - [ -0.0017932900000000, -0.0019907900000000, -0.0025711200000000 ] - [ -0.0007127600000000, -0.0012610000000000, -0.0002064100000000 ] - [ -0.0003113400000000, -0.0000198400000000, -0.0000541400000000 ] - [ -0.0006299300000000, -0.0001409100000000, -0.0000295300000000 ] - [ -0.0003864100000000, -0.0000549300000000, -0.0004101300000000 ] - [ -0.0006584300000000, 0.0014492600000000, 0.0000770900000000 ] - [ -0.0002590100000000, 0.0002178300000000, -0.0000724700000000 ] - [ -0.0006819500000000, -0.0000675300000000, -0.0001022800000000 ] - [ -0.0004425100000000, -0.0001603400000000, 0.0002837900000000 ] - [ -0.0581400000000000, 0.0002900200000000, -0.0001228100000000 ] - [ -0.0003559900000000, -0.0000433900000000, 0.0001185100000000 ] - [ -0.0044268600000000, 0.0000999600000000, 0.0001015500000000 ] - [ -0.0044272100000000, 0.0000686000000000, 0.0001515700000000 ] - [ -0.0035043700000000, 0.0000298900000000, 0.0002094500000000 ] - [ -0.0030793500000000, 0.0000128000000000, 0.0002227000000000 ] - [ -0.0047334200000000, -0.0000230700000000, 0.0001853500000000 ] - [ -0.0005377400000000, -0.0000252000000000, 0.0002213500000000 ] - [ 0.0030879600000000, 0.0028674000000000, -0.0025932300000000 ] - [ 0.0003991000000000, -0.0000605800000000, 0.0000380300000000 ] - [ 0.0042608400000000, 0.0042323200000000, 0.0025205000000000 ] - [ 0.0007915800000000, 0.0002637300000000, -0.0005246100000000 ] - [ 0.0028981900000000, -0.0030269800000000, 0.0026106700000000 ] - [ 0.0001536600000000, -0.0000509200000000, -0.0000045300000000 ] - [ 0.0044393100000000, -0.0040676000000000, -0.0025155400000000 ] - [ 0.0010488700000000, -0.0001442500000000, 0.0005582100000000 ] - [ 0.0177167900000000, -0.0017042700000000, 0.0015945100000000 ] - [ 0.0003220900000000, 0.0001468100000000, -0.0002600200000000 ] - [ 0.0025089200000000, 0.0025226400000000, -0.0025145700000000 ] - [ 0.0030221700000000, -0.0016020500000000, 0.0032147700000000 ] - [ 0.0175630500000000, 0.0018844300000000, -0.0016860700000000 ] - [ 0.0003890900000000, 0.0000603500000000, 0.0001331100000000 ] - [ 0.0024413400000000, -0.0027285700000000, 0.0024033000000000 ] - [ 0.0029675400000000, 0.0014061200000000, -0.0033774700000000 ] - [ 0.0011655600000000, -0.0000500800000000, 0.0001157600000000 ] - [ 0.0003163000000000, -0.0000789200000000, 0.0001359500000000 ] - [ 0.0009674400000000, 0.0000453800000000, 0.0001178100000000 ] - [ 0.0009672900000000, 0.0000810300000000, 0.0001399100000000 ] - [ 0.0003897400000000, 0.0000276800000000, 0.0001861500000000 ] - [ 0.0007726700000000, 0.0000253400000000, 0.0002122500000000 ] - [ 0.0021023700000000, -0.0000225100000000, 0.0002147900000000 ] - [ 0.0004111400000000, -0.0000343000000000, 0.0001823500000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001076100000000, -0.0038538400000000, 0.0004328800000000 ] - [ -0.0003447700000000, -0.0029105700000000, -0.0005490200000000 ] - [ -0.0002212100000000, -0.0008882200000000, -0.0006486600000000 ] - [ -0.0039410900000000, -0.0049768200000000, 0.0042142200000000 ] - [ -0.0001076100000000, -0.0038538400000000, 0.0004328800000000 ] - [ 0.0003447700000000, -0.0029105700000000, -0.0005490200000000 ] - [ 0.0002212100000000, -0.0008882200000000, -0.0006486600000000 ] - [ 0.0039410900000000, -0.0049768200000000, 0.0042142200000000 ] - [ 0.0000000000000000, -0.0073909300000000, -0.0057596100000000 ] - [ 0.0000000000000000, -0.0031009700000000, 0.0019124400000000 ] - [ 0.0000000000000000, -0.0026937900000000, 0.0000531400000000 ] - [ 0.0000000000000000, -0.0077262200000000, -0.0011267600000000 ] - [ -0.0040542000000000, 0.0136590800000000, -0.0029611800000000 ] - [ -0.0019081000000000, 0.0054640200000000, 0.0006502100000000 ] - [ -0.0019865700000000, 0.0010359000000000, 0.0004160900000000 ] - [ -0.0082958000000000, 0.0050937900000000, -0.0026597000000000 ] - [ 0.0040542000000000, 0.0136590800000000, -0.0029611800000000 ] - [ 0.0019081000000000, 0.0054640200000000, 0.0006502100000000 ] - [ 0.0019865700000000, 0.0010359000000000, 0.0004160900000000 ] - [ 0.0082958000000000, 0.0050937900000000, -0.0026597000000000 ] - [ 0.0000000000000000, 0.0012354900000000, 0.0025298500000000 ] - [ 0.0000000000000000, -0.0000833600000000, -0.0020543300000000 ] - [ 0.0000000000000000, 0.0013558400000000, -0.0011153000000000 ] - [ 0.0000000000000000, 0.0043707800000000, 0.0008891100000000 ] - [ 0.0000000000000000, 0.0019280000000000, -0.0017332500000000 ] - [ 0.0000000000000000, 0.0861297700000000, -0.0353169600000000 ] - [ 0.0000000000000000, -0.0037851200000000, 0.0084618600000000 ] - [ 0.0000000000000000, -0.0013384200000000, -0.0020944900000000 ] - [ 0.0000000000000000, -0.0008342700000000, -0.0003865200000000 ] - [ 0.0000000000000000, -0.0029065400000000, -0.0010620900000000 ] - [ 0.0000000000000000, -0.0006357700000000, -0.0013379800000000 ] - [ 0.0000000000000000, -0.0000117900000000, 0.0000678700000000 ] - [ 0.0139468800000000, 0.0183600500000000, 0.0035412700000000 ] - [ 0.0005740100000000, -0.0004314200000000, -0.0000379700000000 ] - [ 0.0009222900000000, 0.0012892400000000, -0.0014546300000000 ] - [ -0.0001747900000000, 0.0032389900000000, 0.0024785600000000 ] - [ -0.0139468800000000, 0.0183600500000000, 0.0035412700000000 ] - [ -0.0005740100000000, -0.0004314200000000, -0.0000379700000000 ] - [ -0.0009222900000000, 0.0012892400000000, -0.0014546300000000 ] - [ 0.0001747900000000, 0.0032389900000000, 0.0024785600000000 ] - [ 0.0001867800000000, 0.0048829300000000, -0.0003655700000000 ] - [ -0.0003375000000000, 0.0012192500000000, -0.0000788400000000 ] - [ 0.0009313100000000, 0.0017236600000000, 0.0009430500000000 ] - [ -0.0006990300000000, 0.0023775400000000, -0.0007265600000000 ] - [ -0.0001867800000000, 0.0048829300000000, -0.0003655700000000 ] - [ 0.0003375000000000, 0.0012192500000000, -0.0000788400000000 ] - [ -0.0009313100000000, 0.0017236600000000, 0.0009430500000000 ] - [ 0.0006990300000000, 0.0023775400000000, -0.0007265600000000 ] - [ 0.0000000000000000, -0.1595654300000000, 0.0370858700000000 ] - [ 0.0000000000000000, -0.0020728400000000, 0.0002124700000000 ] - [ 0.0000000000000000, -0.0009608800000000, -0.0082476500000000 ] - [ 0.0000000000000000, -0.0009691500000000, 0.0088979900000000 ] - [ 0.0000000000000000, -0.0007600600000000, 0.0040675100000000 ] - [ 0.0000000000000000, 0.0020364100000000, -0.0097050100000000 ] - [ 0.0000000000000000, 0.0204653300000000, -0.0018028300000000 ] - [ 0.0000000000000000, 0.0004961100000000, 0.0015077600000000 ] - [ 0.0024652000000000, 0.0028048200000000, -0.0025895400000000 ] - [ 0.0003940100000000, 0.0005016000000000, 0.0001303700000000 ] - [ 0.0007226300000000, 0.0003370800000000, 0.0011623300000000 ] - [ 0.0006994700000000, -0.0012679100000000, -0.0010160600000000 ] - [ -0.0024652000000000, 0.0028048200000000, -0.0025895400000000 ] - [ -0.0003940100000000, 0.0005016000000000, 0.0001303700000000 ] - [ -0.0007226300000000, 0.0003370800000000, 0.0011623300000000 ] - [ -0.0006994700000000, -0.0012679100000000, -0.0010160600000000 ] - [ -0.0018677100000000, -0.0050654400000000, -0.0021153400000000 ] - [ -0.0000381700000000, -0.0009957000000000, 0.0003147800000000 ] - [ -0.0007681100000000, -0.0027396100000000, 0.0006824300000000 ] - [ 0.0021524300000000, -0.0037447000000000, 0.0029076400000000 ] - [ 0.0018677100000000, -0.0050654400000000, -0.0021153400000000 ] - [ 0.0000381700000000, -0.0009957000000000, 0.0003147800000000 ] - [ 0.0007681100000000, -0.0027396100000000, 0.0006824300000000 ] - [ -0.0021524300000000, -0.0037447000000000, 0.0029076400000000 ] - [ 0.0000000000000000, 0.0024639900000000, 0.0005924800000000 ] - [ 0.0000000000000000, 0.0008161400000000, 0.0003596800000000 ] - [ 0.0000000000000000, 0.0010718300000000, 0.0001631200000000 ] - [ 0.0000000000000000, 0.0011129200000000, -0.0012454800000000 ] - [ 0.0000000000000000, 0.0006527300000000, -0.0001299800000000 ] - [ 0.0000000000000000, 0.0010490200000000, 0.0009353100000000 ] - [ 0.0000000000000000, -0.0004905800000000, -0.0000450600000000 ] - [ 0.0000000000000000, -0.0000856500000000, 0.0000853300000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000085600000000, 0.0036279400000000, -0.0003638500000000 ] - [ 0.0004363800000000, 0.0026860600000000, 0.0006449800000000 ] - [ 0.0001258400000000, 0.0011252900000000, 0.0007376100000000 ] - [ 0.0038384900000000, 0.0052003500000000, -0.0041114900000000 ] - [ 0.0000085600000000, 0.0036279400000000, -0.0003638500000000 ] - [ -0.0004363800000000, 0.0026860600000000, 0.0006449800000000 ] - [ -0.0001258400000000, 0.0011252900000000, 0.0007376100000000 ] - [ -0.0038384900000000, 0.0052003500000000, -0.0041114900000000 ] - [ 0.0000000000000000, 0.0076047200000000, 0.0056501200000000 ] - [ 0.0000000000000000, 0.0033314000000000, -0.0019839800000000 ] - [ 0.0000000000000000, 0.0024740500000000, -0.0001350600000000 ] - [ 0.0000000000000000, 0.0075279600000000, 0.0010713800000000 ] - [ 0.0042312700000000, -0.0137928800000000, 0.0031333400000000 ] - [ 0.0020091300000000, -0.0056859100000000, -0.0005750700000000 ] - [ 0.0018949200000000, -0.0008223900000000, -0.0003218400000000 ] - [ 0.0079438900000000, -0.0052126200000000, 0.0025753500000000 ] - [ -0.0042312700000000, -0.0137928800000000, 0.0031333400000000 ] - [ -0.0020091300000000, -0.0056859100000000, -0.0005750700000000 ] - [ -0.0018949200000000, -0.0008223900000000, -0.0003218400000000 ] - [ -0.0079438900000000, -0.0052126200000000, 0.0025753500000000 ] - [ 0.0000000000000000, -0.0010507600000000, -0.0026033800000000 ] - [ 0.0000000000000000, 0.0002989400000000, 0.0019875300000000 ] - [ 0.0000000000000000, -0.0015777300000000, 0.0010533700000000 ] - [ 0.0000000000000000, -0.0045709900000000, -0.0009973400000000 ] - [ 0.0000000000000000, -0.0020321400000000, 0.0012097900000000 ] - [ 0.0000000000000000, -0.0811745400000000, 0.0319724800000000 ] - [ 0.0000000000000000, 0.0038744000000000, -0.0090537300000000 ] - [ 0.0000000000000000, 0.0014155000000000, 0.0015807100000000 ] - [ 0.0000000000000000, 0.0007243400000000, -0.0001366700000000 ] - [ 0.0000000000000000, 0.0027997400000000, 0.0005391100000000 ] - [ 0.0000000000000000, 0.0007492100000000, 0.0007988700000000 ] - [ 0.0000000000000000, 0.0001196300000000, -0.0005819100000000 ] - [ -0.0134869400000000, -0.0182166900000000, -0.0034441200000000 ] - [ -0.0003561200000000, 0.0003059400000000, 0.0000562200000000 ] - [ -0.0011504100000000, -0.0011627500000000, 0.0014948500000000 ] - [ -0.0000461600000000, -0.0031227700000000, -0.0024673300000000 ] - [ 0.0134869400000000, -0.0182166900000000, -0.0034441200000000 ] - [ 0.0003561200000000, 0.0003059400000000, 0.0000562200000000 ] - [ 0.0011504100000000, -0.0011627500000000, 0.0014948500000000 ] - [ 0.0000461600000000, -0.0031227700000000, -0.0024673300000000 ] - [ -0.0002523600000000, -0.0046768900000000, 0.0002406900000000 ] - [ 0.0002747900000000, -0.0010163900000000, -0.0000516400000000 ] - [ -0.0008658800000000, -0.0019309100000000, -0.0010617800000000 ] - [ 0.0007630400000000, -0.0025879400000000, 0.0005886900000000 ] - [ 0.0002523600000000, -0.0046768900000000, 0.0002406900000000 ] - [ -0.0002747900000000, -0.0010163900000000, -0.0000516400000000 ] - [ 0.0008658800000000, -0.0019309100000000, -0.0010617800000000 ] - [ -0.0007630400000000, -0.0025879400000000, 0.0005886900000000 ] - [ 0.0000000000000000, 0.1545614500000000, -0.0338478900000000 ] - [ 0.0000000000000000, 0.0019567300000000, 0.0000361100000000 ] - [ 0.0000000000000000, 0.0011663000000000, 0.0084948900000000 ] - [ 0.0000000000000000, 0.0011663300000000, -0.0086332300000000 ] - [ 0.0000000000000000, 0.0008059400000000, -0.0036731100000000 ] - [ 0.0000000000000000, -0.0019557400000000, 0.0100486500000000 ] - [ 0.0000000000000000, -0.0208870900000000, 0.0022083900000000 ] - [ 0.0000000000000000, -0.0005505800000000, -0.0011254800000000 ] - [ -0.0022615000000000, -0.0029329100000000, 0.0026158800000000 ] - [ -0.0001656300000000, -0.0006148600000000, -0.0001055500000000 ] - [ -0.0009549000000000, -0.0002486100000000, -0.0011660000000000 ] - [ -0.0009283800000000, 0.0013776400000000, 0.0010423100000000 ] - [ 0.0022615000000000, -0.0029329100000000, 0.0026158800000000 ] - [ 0.0001656300000000, -0.0006148600000000, -0.0001055500000000 ] - [ 0.0009549000000000, -0.0002486100000000, -0.0011660000000000 ] - [ 0.0009283800000000, 0.0013776400000000, 0.0010423100000000 ] - [ 0.0017449700000000, 0.0053070400000000, 0.0019931400000000 ] - [ -0.0000229100000000, 0.0012033900000000, -0.0004481000000000 ] - [ 0.0008324200000000, 0.0025389800000000, -0.0008190800000000 ] - [ -0.0021002200000000, 0.0035681800000000, -0.0030489500000000 ] - [ -0.0017449700000000, 0.0053070400000000, 0.0019931400000000 ] - [ 0.0000229100000000, 0.0012033900000000, -0.0004481000000000 ] - [ -0.0008324200000000, 0.0025389800000000, -0.0008190800000000 ] - [ 0.0021002200000000, 0.0035681800000000, -0.0030489500000000 ] - [ 0.0000000000000000, -0.0025660600000000, -0.0003469300000000 ] - [ 0.0000000000000000, -0.0009495800000000, -0.0001040000000000 ] - [ 0.0000000000000000, -0.0009829600000000, 0.0000829200000000 ] - [ 0.0000000000000000, -0.0009790100000000, 0.0014977500000000 ] - [ 0.0000000000000000, -0.0005812500000000, 0.0005050200000000 ] - [ 0.0000000000000000, -0.0009901400000000, -0.0005336300000000 ] - [ 0.0000000000000000, 0.0004231800000000, 0.0004598100000000 ] - [ 0.0000000000000000, 0.0000162100000000, 0.0002829100000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0004849500000000, -0.0003461500000000, 0.0014299800000000 ] - [ -0.0006134600000000, -0.0006714900000000, -0.0011095600000000 ] - [ 0.0007076100000000, -0.0011771900000000, -0.0018313400000000 ] - [ 0.0006470200000000, 0.0002913700000000, 0.0011839700000000 ] - [ -0.0004849500000000, -0.0003461500000000, 0.0014299800000000 ] - [ 0.0006134600000000, -0.0006714900000000, -0.0011095600000000 ] - [ -0.0007076100000000, -0.0011771900000000, -0.0018313400000000 ] - [ -0.0006470200000000, 0.0002913700000000, 0.0011839700000000 ] - [ 0.0000000000000000, -0.0016000400000000, 0.0018305800000000 ] - [ 0.0000000000000000, 0.0029524500000000, -0.0026224000000000 ] - [ 0.0000000000000000, 0.0001224400000000, -0.0016107400000000 ] - [ 0.0000000000000000, -0.0004969900000000, 0.0017117000000000 ] - [ -0.0089817700000000, -0.0044956000000000, 0.0016403600000000 ] - [ 0.0043778500000000, 0.0004217100000000, -0.0049631000000000 ] - [ 0.0011767800000000, 0.0017625800000000, -0.0046678500000000 ] - [ -0.0040169700000000, -0.0019173800000000, 0.0123348200000000 ] - [ 0.0089817700000000, -0.0044956000000000, 0.0016403600000000 ] - [ -0.0043778500000000, 0.0004217100000000, -0.0049631000000000 ] - [ -0.0011767800000000, 0.0017625800000000, -0.0046678500000000 ] - [ 0.0040169700000000, -0.0019173800000000, 0.0123348200000000 ] - [ 0.0000000000000000, 0.0025891200000000, 0.0023012100000000 ] - [ 0.0000000000000000, -0.0003718100000000, -0.0021949100000000 ] - [ 0.0000000000000000, 0.0002996200000000, -0.0034573700000000 ] - [ 0.0000000000000000, 0.0001927900000000, 0.0030727800000000 ] - [ 0.0000000000000000, -0.0001206600000000, -0.0043160300000000 ] - [ 0.0000000000000000, -0.0282483500000000, 0.0301604600000000 ] - [ 0.0000000000000000, 0.0076194800000000, 0.0008032600000000 ] - [ 0.0000000000000000, -0.0052607000000000, -0.0023014100000000 ] - [ 0.0000000000000000, 0.0000961700000000, -0.0008018800000000 ] - [ 0.0000000000000000, -0.0008192200000000, -0.0002227900000000 ] - [ 0.0000000000000000, -0.0015312900000000, 0.0021218100000000 ] - [ 0.0000000000000000, 0.0004578800000000, -0.0013933400000000 ] - [ -0.0003759100000000, 0.0013363700000000, -0.0060514800000000 ] - [ -0.0001179700000000, -0.0003338100000000, 0.0023049800000000 ] - [ -0.0008833600000000, -0.0016075400000000, 0.0002562600000000 ] - [ 0.0004294800000000, 0.0021074000000000, 0.0003165800000000 ] - [ 0.0003759100000000, 0.0013363700000000, -0.0060514800000000 ] - [ 0.0001179700000000, -0.0003338100000000, 0.0023049800000000 ] - [ 0.0008833600000000, -0.0016075400000000, 0.0002562600000000 ] - [ -0.0004294800000000, 0.0021074000000000, 0.0003165800000000 ] - [ -0.0001015400000000, 0.0001767600000000, -0.0007781700000000 ] - [ 0.0005470700000000, 0.0000968900000000, 0.0010250900000000 ] - [ -0.0000219100000000, 0.0003119000000000, -0.0000816500000000 ] - [ -0.0003260100000000, -0.0003581500000000, -0.0003575700000000 ] - [ 0.0001015400000000, 0.0001767600000000, -0.0007781700000000 ] - [ -0.0005470700000000, 0.0000968900000000, 0.0010250900000000 ] - [ 0.0000219100000000, 0.0003119000000000, -0.0000816500000000 ] - [ 0.0003260100000000, -0.0003581500000000, -0.0003575700000000 ] - [ 0.0000000000000000, 0.0350138700000000, -0.0737029000000000 ] - [ 0.0000000000000000, 0.0000419300000000, 0.0038604600000000 ] - [ 0.0000000000000000, -0.0087471700000000, 0.0162916500000000 ] - [ 0.0000000000000000, 0.0083853900000000, 0.0160360000000000 ] - [ 0.0000000000000000, 0.0032242000000000, 0.0044521800000000 ] - [ 0.0000000000000000, -0.0068793300000000, 0.0087177000000000 ] - [ 0.0000000000000000, -0.0023310400000000, -0.0048011700000000 ] - [ 0.0000000000000000, 0.0005448900000000, 0.0037559700000000 ] - [ 0.0014935700000000, 0.0012820600000000, -0.0028893300000000 ] - [ -0.0002177900000000, -0.0005242200000000, 0.0010667200000000 ] - [ 0.0028554700000000, 0.0045594000000000, 0.0025361400000000 ] - [ -0.0010893800000000, -0.0004976400000000, -0.0002486900000000 ] - [ -0.0014935700000000, 0.0012820600000000, -0.0028893300000000 ] - [ 0.0002177900000000, -0.0005242200000000, 0.0010667200000000 ] - [ -0.0028554700000000, 0.0045594000000000, 0.0025361400000000 ] - [ 0.0010893800000000, -0.0004976400000000, -0.0002486900000000 ] - [ 0.0020195800000000, -0.0017554900000000, -0.0051568600000000 ] - [ -0.0006588700000000, 0.0005444300000000, 0.0024198000000000 ] - [ -0.0021392400000000, -0.0025489700000000, 0.0018552300000000 ] - [ 0.0021673600000000, -0.0005088000000000, 0.0003242100000000 ] - [ -0.0020195800000000, -0.0017554900000000, -0.0051568600000000 ] - [ 0.0006588700000000, 0.0005444300000000, 0.0024198000000000 ] - [ 0.0021392400000000, -0.0025489700000000, 0.0018552300000000 ] - [ -0.0021673600000000, -0.0005088000000000, 0.0003242100000000 ] - [ 0.0000000000000000, 0.0004244800000000, -0.0003091700000000 ] - [ 0.0000000000000000, 0.0001375500000000, 0.0006740600000000 ] - [ 0.0000000000000000, 0.0014448700000000, 0.0000725400000000 ] - [ 0.0000000000000000, 0.0000384400000000, 0.0000905900000000 ] - [ 0.0000000000000000, -0.0002740800000000, -0.0000469200000000 ] - [ 0.0000000000000000, 0.0003287200000000, 0.0004578200000000 ] - [ 0.0000000000000000, 0.0001912300000000, -0.0012751800000000 ] - [ 0.0000000000000000, 0.0002782700000000, 0.0015283600000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0003947100000000, 0.0001290900000000, -0.0013357500000000 ] - [ 0.0007115900000000, 0.0004542500000000, 0.0011834800000000 ] - [ -0.0008029400000000, 0.0013853500000000, 0.0019118200000000 ] - [ -0.0007255800000000, -0.0000538800000000, -0.0011293900000000 ] - [ 0.0003947100000000, 0.0001290900000000, -0.0013357500000000 ] - [ -0.0007115900000000, 0.0004542500000000, 0.0011834800000000 ] - [ 0.0008029400000000, 0.0013853500000000, 0.0019118200000000 ] - [ 0.0007255800000000, -0.0000538800000000, -0.0011293900000000 ] - [ 0.0000000000000000, 0.0018245500000000, -0.0018567500000000 ] - [ 0.0000000000000000, -0.0027552400000000, 0.0025372500000000 ] - [ 0.0000000000000000, -0.0003271900000000, 0.0015435000000000 ] - [ 0.0000000000000000, 0.0002779400000000, -0.0018063800000000 ] - [ 0.0093184800000000, 0.0043857100000000, -0.0012193600000000 ] - [ -0.0043090300000000, -0.0006496300000000, 0.0050475100000000 ] - [ -0.0012546300000000, -0.0015328100000000, 0.0047458900000000 ] - [ 0.0037826800000000, 0.0020115600000000, -0.0123699200000000 ] - [ -0.0093184800000000, 0.0043857100000000, -0.0012193600000000 ] - [ 0.0043090300000000, -0.0006496300000000, 0.0050475100000000 ] - [ 0.0012546300000000, -0.0015328100000000, 0.0047458900000000 ] - [ -0.0037826800000000, 0.0020115600000000, -0.0123699200000000 ] - [ 0.0000000000000000, -0.0023825400000000, -0.0023425800000000 ] - [ 0.0000000000000000, 0.0005905300000000, 0.0021042400000000 ] - [ 0.0000000000000000, -0.0005148100000000, 0.0033763400000000 ] - [ 0.0000000000000000, -0.0004024500000000, -0.0031715400000000 ] - [ 0.0000000000000000, 0.0000298100000000, 0.0038014600000000 ] - [ 0.0000000000000000, 0.0290810900000000, -0.0306725000000000 ] - [ 0.0000000000000000, -0.0074990100000000, -0.0012785700000000 ] - [ 0.0000000000000000, 0.0053790100000000, 0.0017619900000000 ] - [ 0.0000000000000000, -0.0001795000000000, 0.0002824500000000 ] - [ 0.0000000000000000, 0.0007366000000000, -0.0002506000000000 ] - [ 0.0000000000000000, 0.0016055600000000, -0.0026228200000000 ] - [ 0.0000000000000000, -0.0003708400000000, 0.0008748500000000 ] - [ 0.0005482100000000, -0.0015386400000000, 0.0060438900000000 ] - [ 0.0003343000000000, 0.0002120700000000, -0.0022908600000000 ] - [ 0.0006350100000000, 0.0017050700000000, -0.0002359000000000 ] - [ -0.0006711600000000, -0.0019926600000000, -0.0002701800000000 ] - [ -0.0005482100000000, -0.0015386400000000, 0.0060438900000000 ] - [ -0.0003343000000000, 0.0002120700000000, -0.0022908600000000 ] - [ -0.0006350100000000, 0.0017050700000000, -0.0002359000000000 ] - [ 0.0006711600000000, -0.0019926600000000, -0.0002701800000000 ] - [ 0.0000455800000000, 0.0000155200000000, 0.0006453200000000 ] - [ -0.0006091500000000, 0.0001105700000000, -0.0011541100000000 ] - [ 0.0000771700000000, -0.0005168800000000, -0.0000628500000000 ] - [ 0.0003890100000000, 0.0001536400000000, 0.0002365500000000 ] - [ -0.0000455800000000, 0.0000155200000000, 0.0006453200000000 ] - [ 0.0006091500000000, 0.0001105700000000, -0.0011541100000000 ] - [ -0.0000771700000000, -0.0005168800000000, -0.0000628500000000 ] - [ -0.0003890100000000, 0.0001536400000000, 0.0002365500000000 ] - [ 0.0000000000000000, -0.0358652600000000, 0.0736005200000000 ] - [ 0.0000000000000000, -0.0001461800000000, -0.0036125700000000 ] - [ 0.0000000000000000, 0.0087792000000000, -0.0157626900000000 ] - [ 0.0000000000000000, -0.0083734600000000, -0.0160195100000000 ] - [ 0.0000000000000000, -0.0031262500000000, -0.0040137900000000 ] - [ 0.0000000000000000, 0.0070284800000000, -0.0084259800000000 ] - [ 0.0000000000000000, 0.0023308600000000, 0.0051220200000000 ] - [ 0.0000000000000000, -0.0006318900000000, -0.0033955700000000 ] - [ -0.0012999900000000, -0.0014195700000000, 0.0028900000000000 ] - [ 0.0004600500000000, 0.0004109900000000, -0.0010254800000000 ] - [ -0.0030564600000000, -0.0043987100000000, -0.0024989100000000 ] - [ 0.0008486000000000, 0.0006106100000000, 0.0002943500000000 ] - [ 0.0012999900000000, -0.0014195700000000, 0.0028900000000000 ] - [ -0.0004600500000000, 0.0004109900000000, -0.0010254800000000 ] - [ 0.0030564600000000, -0.0043987100000000, -0.0024989100000000 ] - [ -0.0008486000000000, 0.0006106100000000, 0.0002943500000000 ] - [ -0.0021275400000000, 0.0019628900000000, 0.0049898000000000 ] - [ 0.0006056700000000, -0.0003411900000000, -0.0025439400000000 ] - [ 0.0021851800000000, 0.0023261700000000, -0.0019864500000000 ] - [ -0.0021120800000000, 0.0002880800000000, -0.0004372400000000 ] - [ 0.0021275400000000, 0.0019628900000000, 0.0049898000000000 ] - [ -0.0006056700000000, -0.0003411900000000, -0.0025439400000000 ] - [ -0.0021851800000000, 0.0023261700000000, -0.0019864500000000 ] - [ 0.0021120800000000, 0.0002880800000000, -0.0004372400000000 ] - [ 0.0000000000000000, -0.0005142700000000, 0.0005372600000000 ] - [ 0.0000000000000000, -0.0003050500000000, -0.0003988900000000 ] - [ 0.0000000000000000, -0.0012998300000000, 0.0001793300000000 ] - [ 0.0000000000000000, 0.0001240800000000, 0.0001917100000000 ] - [ 0.0000000000000000, 0.0003440400000000, 0.0003944000000000 ] - [ 0.0000000000000000, -0.0002724400000000, -0.0000213800000000 ] - [ 0.0000000000000000, -0.0002566400000000, 0.0016516800000000 ] - [ 0.0000000000000000, -0.0003441200000000, -0.0011634000000000 ]- atom: 53 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0006498700000000, 0.0004421600000000, -0.0006053000000000 ] - [ -0.0003158600000000, 0.0000900800000000, 0.0002623000000000 ] - [ -0.0036179500000000, -0.0042481100000000, -0.0026153600000000 ] - [ -0.0010808700000000, -0.0012361200000000, 0.0006972900000000 ] - [ -0.0007254200000000, -0.0006537100000000, 0.0006892800000000 ] - [ -0.0004100800000000, -0.0003037400000000, -0.0001731500000000 ] - [ -0.0035527400000000, 0.0044407500000000, 0.0026610400000000 ] - [ -0.0009968700000000, 0.0014407500000000, -0.0006053500000000 ] - [ 0.0118257200000000, 0.0001056800000000, -0.0000551700000000 ] - [ 0.0032429200000000, 0.0001172700000000, -0.0000252100000000 ] - [ 0.0019885300000000, -0.0000996700000000, -0.0000313200000000 ] - [ 0.0002858300000000, -0.0001015300000000, -0.0000405400000000 ] - [ 0.0139978300000000, -0.0039215600000000, -0.0015029000000000 ] - [ 0.0002755200000000, 0.0014691000000000, -0.0010639900000000 ] - [ 0.0010390600000000, -0.0013375700000000, 0.0012655300000000 ] - [ 0.0017412800000000, -0.0013509500000000, -0.0011576900000000 ] - [ 0.0132122200000000, 0.0030242500000000, 0.0010349700000000 ] - [ 0.0001542800000000, -0.0017073000000000, 0.0011756300000000 ] - [ 0.0011674100000000, 0.0015664500000000, -0.0011998900000000 ] - [ 0.0018530300000000, 0.0015901400000000, 0.0012582100000000 ] - [ -0.0045542100000000, 0.0001242200000000, -0.0000387000000000 ] - [ -0.0009281600000000, 0.0001113600000000, -0.0000345200000000 ] - [ -0.0057967000000000, -0.0000972100000000, -0.0000617500000000 ] - [ -0.0040142000000000, -0.0001145400000000, -0.0000164700000000 ] - [ 0.0134417400000000, -0.0000064200000000, -0.0005305300000000 ] - [ 0.0038660900000000, -0.0000581600000000, -0.0002623200000000 ] - [ 0.0003691700000000, 0.0000500000000000, -0.0002734700000000 ] - [ 0.0002713500000000, 0.0000442500000000, -0.0002688700000000 ] - [ -0.0003755400000000, -0.0000496500000000, -0.0002697800000000 ] - [ -0.0005143800000000, -0.0000500900000000, -0.0002589200000000 ] - [ -0.0073129800000000, 0.0000256800000000, -0.0002554900000000 ] - [ -0.0010146900000000, 0.0000501800000000, -0.0002682800000000 ] - [ -0.0008587000000000, 0.0021714000000000, -0.0059405400000000 ] - [ 0.0004169700000000, 0.0013310200000000, 0.0066721300000000 ] - [ -0.0005583400000000, -0.0003311300000000, 0.0000841500000000 ] - [ -0.0002673200000000, 0.0002312100000000, 0.0001882700000000 ] - [ -0.0010838800000000, -0.0022472100000000, 0.0059575000000000 ] - [ 0.0002507800000000, -0.0014709400000000, -0.0066782600000000 ] - [ -0.0003206200000000, 0.0004388900000000, -0.0000478500000000 ] - [ -0.0000378600000000, -0.0001230300000000, -0.0001663100000000 ] - [ -0.0012949100000000, 0.0002852900000000, -0.0005731800000000 ] - [ -0.0007188900000000, -0.0008631600000000, -0.0006079800000000 ] - [ -0.0001101400000000, 0.0034781000000000, -0.0005099000000000 ] - [ -0.0002996100000000, 0.0000058800000000, -0.0001618700000000 ] - [ -0.0012709000000000, -0.0000961700000000, 0.0004640100000000 ] - [ -0.0006668900000000, 0.0010645100000000, 0.0004785200000000 ] - [ -0.0001407200000000, -0.0036869300000000, 0.0003714100000000 ] - [ -0.0003548500000000, -0.0002116400000000, 0.0000303400000000 ] - [ -0.0035047400000000, -0.0000819600000000, 0.0001259500000000 ] - [ -0.0030792800000000, -0.0000268500000000, 0.0000964400000000 ] - [ -0.0047325700000000, 0.0001073300000000, 0.0001498600000000 ] - [ -0.0005382400000000, 0.0000724300000000, 0.0001202400000000 ] - [ -0.0786598300000000, 0.0006511100000000, 0.0011496700000000 ] - [ -0.0011318200000000, 0.0000371900000000, 0.0001754100000000 ] - [ -0.0003997100000000, -0.0000376500000000, 0.0001867900000000 ] - [ -0.0003987300000000, -0.0000307100000000, 0.0001907600000000 ] - [ 0.0003976500000000, 0.0004549600000000, -0.0000342000000000 ] - [ 0.0003483200000000, 0.0000662700000000, -0.0000821800000000 ] - [ 0.0156717200000000, 0.0026159700000000, -0.0000000900000000 ] - [ 0.0007388900000000, -0.0000370600000000, 0.0002728400000000 ] - [ 0.0001879100000000, -0.0006002600000000, 0.0000405000000000 ] - [ 0.0001018300000000, -0.0001776400000000, 0.0001180300000000 ] - [ 0.0157266300000000, -0.0024554800000000, 0.0000347600000000 ] - [ 0.0009895500000000, 0.0001523300000000, -0.0002487600000000 ] - [ 0.0082675500000000, -0.0057088800000000, -0.0088582400000000 ] - [ 0.0006145600000000, -0.0000681000000000, 0.0001357900000000 ] - [ 0.0032429300000000, 0.0030260000000000, -0.0024284000000000 ] - [ 0.0005180400000000, 0.0000083100000000, 0.0006017000000000 ] - [ 0.0082512700000000, 0.0058684500000000, 0.0086489900000000 ] - [ 0.0006878000000000, 0.0002711300000000, -0.0002509500000000 ] - [ 0.0031900700000000, -0.0032600400000000, 0.0023222300000000 ] - [ 0.0004536400000000, -0.0002111400000000, -0.0007449800000000 ] - [ 0.0003896900000000, -0.0000485100000000, 0.0001185400000000 ] - [ 0.0007724000000000, -0.0000786500000000, 0.0001374100000000 ] - [ 0.0021023400000000, 0.0000779100000000, 0.0001282300000000 ] - [ 0.0004114900000000, 0.0000769300000000, 0.0001348900000000 ] - [ 0.0003241800000000, 0.0000311900000000, 0.0001821500000000 ] - [ 0.0002246700000000, 0.0000287800000000, 0.0002109000000000 ] - [ 0.0016383500000000, -0.0000246300000000, 0.0001837900000000 ] - [ 0.0016378800000000, -0.0000307700000000, 0.0001921900000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0021266700000000, -0.0047199500000000, -0.0000161100000000 ] - [ 0.0005032200000000, -0.0017937700000000, -0.0000836600000000 ] - [ -0.0048250700000000, 0.0005120400000000, -0.0031953300000000 ] - [ -0.0015393400000000, 0.0016171000000000, 0.0015441400000000 ] - [ -0.0021266700000000, -0.0047199500000000, -0.0000161100000000 ] - [ -0.0005032200000000, -0.0017937700000000, -0.0000836600000000 ] - [ 0.0048250700000000, 0.0005120400000000, -0.0031953300000000 ] - [ 0.0015393400000000, 0.0016171000000000, 0.0015441400000000 ] - [ 0.0000000000000000, 0.0099432800000000, 0.0010887000000000 ] - [ 0.0000000000000000, 0.0001015200000000, -0.0012843400000000 ] - [ 0.0000000000000000, -0.0058490200000000, -0.0025208300000000 ] - [ 0.0000000000000000, -0.0032645700000000, 0.0021444900000000 ] - [ -0.0067743900000000, 0.0146362300000000, 0.0020489400000000 ] - [ 0.0010113400000000, 0.0031302900000000, 0.0009178700000000 ] - [ -0.0029099300000000, -0.0032700400000000, 0.0025317500000000 ] - [ 0.0001159500000000, -0.0020700700000000, -0.0014438300000000 ] - [ 0.0067743900000000, 0.0146362300000000, 0.0020489400000000 ] - [ -0.0010113400000000, 0.0031302900000000, 0.0009178700000000 ] - [ 0.0029099300000000, -0.0032700400000000, 0.0025317500000000 ] - [ -0.0001159500000000, -0.0020700700000000, -0.0014438300000000 ] - [ 0.0000000000000000, -0.0030759900000000, 0.0003159400000000 ] - [ 0.0000000000000000, -0.0008578300000000, 0.0001325900000000 ] - [ 0.0000000000000000, 0.0031047200000000, 0.0007340900000000 ] - [ 0.0000000000000000, 0.0030225900000000, -0.0023538800000000 ] - [ 0.0000000000000000, 0.0175791700000000, -0.0176720700000000 ] - [ 0.0000000000000000, 0.0037538600000000, 0.0001232700000000 ] - [ 0.0000000000000000, -0.0065825600000000, -0.0024354900000000 ] - [ 0.0000000000000000, -0.0013983700000000, 0.0004343800000000 ] - [ 0.0000000000000000, -0.0015199900000000, -0.0005747600000000 ] - [ 0.0000000000000000, -0.0016211600000000, -0.0001848000000000 ] - [ 0.0000000000000000, 0.0011796800000000, 0.0000198300000000 ] - [ 0.0000000000000000, 0.0005529200000000, -0.0007862700000000 ] - [ 0.0023714300000000, -0.0043354600000000, -0.0028456500000000 ] - [ 0.0013492500000000, -0.0029920400000000, 0.0036198500000000 ] - [ 0.0016038700000000, 0.0047431800000000, -0.0002526100000000 ] - [ 0.0000049100000000, 0.0014093500000000, 0.0000426800000000 ] - [ -0.0023714300000000, -0.0043354600000000, -0.0028456500000000 ] - [ -0.0013492500000000, -0.0029920400000000, 0.0036198500000000 ] - [ -0.0016038700000000, 0.0047431800000000, -0.0002526100000000 ] - [ -0.0000049100000000, 0.0014093500000000, 0.0000426800000000 ] - [ -0.0053754500000000, 0.0039145200000000, -0.0040722300000000 ] - [ -0.0003506600000000, 0.0007678600000000, 0.0010885200000000 ] - [ 0.0051412000000000, 0.0075003000000000, 0.0018400700000000 ] - [ 0.0002018900000000, 0.0000750300000000, -0.0006359800000000 ] - [ 0.0053754500000000, 0.0039145200000000, -0.0040722300000000 ] - [ 0.0003506600000000, 0.0007678600000000, 0.0010885200000000 ] - [ -0.0051412000000000, 0.0075003000000000, 0.0018400700000000 ] - [ -0.0002018900000000, 0.0000750300000000, -0.0006359800000000 ] - [ 0.0000000000000000, -0.0008656100000000, 0.0033151700000000 ] - [ 0.0000000000000000, 0.0019526800000000, -0.0068238100000000 ] - [ 0.0000000000000000, 0.0205874200000000, 0.0024533500000000 ] - [ 0.0000000000000000, 0.0005863500000000, -0.0004705900000000 ] - [ 0.0000000000000000, -0.0843656800000000, 0.0143858700000000 ] - [ 0.0000000000000000, -0.0013131200000000, 0.0000179100000000 ] - [ 0.0000000000000000, 0.0021730700000000, 0.0015173900000000 ] - [ 0.0000000000000000, 0.0021833800000000, -0.0000504500000000 ] - [ 0.0001003300000000, 0.0023225800000000, -0.0002879800000000 ] - [ 0.0006465200000000, 0.0013281900000000, -0.0004495100000000 ] - [ 0.0010426100000000, -0.0041285900000000, -0.0011549900000000 ] - [ 0.0000146800000000, -0.0013459500000000, -0.0000658400000000 ] - [ -0.0001003300000000, 0.0023225800000000, -0.0002879800000000 ] - [ -0.0006465200000000, 0.0013281900000000, -0.0004495100000000 ] - [ -0.0010426100000000, -0.0041285900000000, -0.0011549900000000 ] - [ -0.0000146800000000, -0.0013459500000000, -0.0000658400000000 ] - [ -0.0038775500000000, 0.0041134700000000, 0.0059083900000000 ] - [ -0.0006746000000000, -0.0005935900000000, -0.0007263200000000 ] - [ 0.0021550800000000, 0.0007303700000000, -0.0015404900000000 ] - [ -0.0001167900000000, -0.0002637100000000, 0.0008032200000000 ] - [ 0.0038775500000000, 0.0041134700000000, 0.0059083900000000 ] - [ 0.0006746000000000, -0.0005935900000000, -0.0007263200000000 ] - [ -0.0021550800000000, 0.0007303700000000, -0.0015404900000000 ] - [ 0.0001167900000000, -0.0002637100000000, 0.0008032200000000 ] - [ 0.0000000000000000, 0.0005450700000000, -0.0001844800000000 ] - [ 0.0000000000000000, 0.0009391800000000, 0.0004359400000000 ] - [ 0.0000000000000000, -0.0004018700000000, -0.0000920500000000 ] - [ 0.0000000000000000, 0.0000242500000000, -0.0001799300000000 ] - [ 0.0000000000000000, 0.0018400500000000, 0.0005776400000000 ] - [ 0.0000000000000000, 0.0008601800000000, 0.0001832100000000 ] - [ 0.0000000000000000, -0.0011922100000000, 0.0001325100000000 ] - [ 0.0000000000000000, -0.0011960400000000, 0.0004516600000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0020103500000000, 0.0044795500000000, 0.0000982300000000 ] - [ -0.0004091100000000, 0.0015724500000000, 0.0001717200000000 ] - [ 0.0047157700000000, -0.0002287000000000, 0.0032334300000000 ] - [ 0.0014339800000000, -0.0013675000000000, -0.0014388700000000 ] - [ 0.0020103500000000, 0.0044795500000000, 0.0000982300000000 ] - [ 0.0004091100000000, 0.0015724500000000, 0.0001717200000000 ] - [ -0.0047157700000000, -0.0002287000000000, 0.0032334300000000 ] - [ -0.0014339800000000, -0.0013675000000000, -0.0014388700000000 ] - [ 0.0000000000000000, -0.0088234100000000, -0.0018607000000000 ] - [ 0.0000000000000000, 0.0001640700000000, 0.0012365400000000 ] - [ 0.0000000000000000, 0.0056128700000000, 0.0024031900000000 ] - [ 0.0000000000000000, 0.0030383100000000, -0.0021874400000000 ] - [ 0.0073647100000000, -0.0150322700000000, -0.0023100300000000 ] - [ -0.0009061200000000, -0.0033801600000000, -0.0008071300000000 ] - [ 0.0028286500000000, 0.0034712900000000, -0.0024756300000000 ] - [ -0.0002017000000000, 0.0022729100000000, 0.0015353300000000 ] - [ -0.0073647100000000, -0.0150322700000000, -0.0023100300000000 ] - [ 0.0009061200000000, -0.0033801600000000, -0.0008071300000000 ] - [ -0.0028286500000000, 0.0034712900000000, -0.0024756300000000 ] - [ 0.0002017000000000, 0.0022729100000000, 0.0015353300000000 ] - [ 0.0000000000000000, 0.0032718600000000, -0.0003914200000000 ] - [ 0.0000000000000000, 0.0010655100000000, -0.0002045600000000 ] - [ 0.0000000000000000, -0.0033412700000000, -0.0008060800000000 ] - [ 0.0000000000000000, -0.0032392300000000, 0.0022832200000000 ] - [ 0.0000000000000000, -0.0174061400000000, 0.0168408100000000 ] - [ 0.0000000000000000, -0.0038334500000000, -0.0006267000000000 ] - [ 0.0000000000000000, 0.0066865200000000, 0.0019219800000000 ] - [ 0.0000000000000000, 0.0014787200000000, -0.0009422100000000 ] - [ 0.0000000000000000, 0.0014193900000000, 0.0000335300000000 ] - [ 0.0000000000000000, 0.0015227800000000, -0.0003325700000000 ] - [ 0.0000000000000000, -0.0010539700000000, -0.0005752500000000 ] - [ 0.0000000000000000, -0.0004425700000000, 0.0002634300000000 ] - [ -0.0021089200000000, 0.0041985400000000, 0.0028710800000000 ] - [ -0.0011958800000000, 0.0028125100000000, -0.0036849000000000 ] - [ -0.0018639300000000, -0.0046424100000000, 0.0003002700000000 ] - [ -0.0002050900000000, -0.0012714500000000, -0.0000417100000000 ] - [ 0.0021089200000000, 0.0041985400000000, 0.0028710800000000 ] - [ 0.0011958800000000, 0.0028125100000000, -0.0036849000000000 ] - [ 0.0018639300000000, -0.0046424100000000, 0.0003002700000000 ] - [ 0.0002050900000000, -0.0012714500000000, -0.0000417100000000 ] - [ 0.0052529500000000, -0.0036739500000000, 0.0039014000000000 ] - [ 0.0002876900000000, -0.0005829100000000, -0.0012045000000000 ] - [ -0.0050061400000000, -0.0076240500000000, -0.0019378100000000 ] - [ -0.0001449300000000, -0.0002884800000000, 0.0004911800000000 ] - [ -0.0052529500000000, -0.0036739500000000, 0.0039014000000000 ] - [ -0.0002876900000000, -0.0005829100000000, -0.0012045000000000 ] - [ 0.0050061400000000, -0.0076240500000000, -0.0019378100000000 ] - [ 0.0001449300000000, -0.0002884800000000, 0.0004911800000000 ] - [ 0.0000000000000000, 0.0006980400000000, -0.0030334300000000 ] - [ 0.0000000000000000, -0.0020192300000000, 0.0070786300000000 ] - [ 0.0000000000000000, -0.0207648200000000, -0.0022057100000000 ] - [ 0.0000000000000000, -0.0004789300000000, 0.0006999800000000 ] - [ 0.0000000000000000, 0.0838747200000000, -0.0120664000000000 ] - [ 0.0000000000000000, 0.0013843500000000, 0.0003176600000000 ] - [ 0.0000000000000000, -0.0022412000000000, -0.0011760200000000 ] - [ 0.0000000000000000, -0.0022280700000000, 0.0004800400000000 ] - [ 0.0001046400000000, -0.0024389900000000, 0.0002937000000000 ] - [ -0.0004050800000000, -0.0014335900000000, 0.0004901000000000 ] - [ -0.0012931700000000, 0.0042369700000000, 0.0011824900000000 ] - [ -0.0002565500000000, 0.0014513700000000, 0.0000869600000000 ] - [ -0.0001046400000000, -0.0024389900000000, 0.0002937000000000 ] - [ 0.0004050800000000, -0.0014335900000000, 0.0004901000000000 ] - [ 0.0012931700000000, 0.0042369700000000, 0.0011824900000000 ] - [ 0.0002565500000000, 0.0014513700000000, 0.0000869600000000 ] - [ 0.0038140500000000, -0.0039229800000000, -0.0060324400000000 ] - [ 0.0006152200000000, 0.0008064000000000, 0.0005993900000000 ] - [ -0.0021005300000000, -0.0009216700000000, 0.0014103300000000 ] - [ 0.0001761700000000, 0.0000682900000000, -0.0009383800000000 ] - [ -0.0038140500000000, -0.0039229800000000, -0.0060324400000000 ] - [ -0.0006152200000000, 0.0008064000000000, 0.0005993900000000 ] - [ 0.0021005300000000, -0.0009216700000000, 0.0014103300000000 ] - [ -0.0001761700000000, 0.0000682900000000, -0.0009383800000000 ] - [ 0.0000000000000000, -0.0006561500000000, 0.0004209200000000 ] - [ 0.0000000000000000, -0.0011068500000000, -0.0001595900000000 ] - [ 0.0000000000000000, 0.0004939900000000, 0.0003472000000000 ] - [ 0.0000000000000000, 0.0001237000000000, 0.0004465300000000 ] - [ 0.0000000000000000, -0.0017623300000000, -0.0002137800000000 ] - [ 0.0000000000000000, -0.0007967600000000, 0.0002222200000000 ] - [ 0.0000000000000000, 0.0011223700000000, 0.0002836100000000 ] - [ 0.0000000000000000, 0.0011148500000000, -0.0000860600000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0005227600000000, 0.0002713700000000, 0.0020846100000000 ] - [ 0.0004941900000000, -0.0007325600000000, -0.0014468600000000 ] - [ -0.0048969600000000, -0.0045367200000000, 0.0046099000000000 ] - [ 0.0023349900000000, 0.0015184500000000, -0.0039114900000000 ] - [ 0.0005227600000000, 0.0002713700000000, 0.0020846100000000 ] - [ -0.0004941900000000, -0.0007325600000000, -0.0014468600000000 ] - [ 0.0048969600000000, -0.0045367200000000, 0.0046099000000000 ] - [ -0.0023349900000000, 0.0015184500000000, -0.0039114900000000 ] - [ 0.0000000000000000, 0.0004762000000000, 0.0122915500000000 ] - [ 0.0000000000000000, -0.0060778400000000, -0.0070442200000000 ] - [ 0.0000000000000000, -0.0010852300000000, 0.0021806600000000 ] - [ 0.0000000000000000, 0.0008304000000000, -0.0029523400000000 ] - [ -0.0031507500000000, 0.0015735700000000, 0.0120402000000000 ] - [ -0.0038136300000000, 0.0032075800000000, -0.0073654700000000 ] - [ 0.0028936400000000, 0.0026298000000000, 0.0038901400000000 ] - [ 0.0000847000000000, -0.0015210400000000, -0.0029449100000000 ] - [ 0.0031507500000000, 0.0015735700000000, 0.0120402000000000 ] - [ 0.0038136300000000, 0.0032075800000000, -0.0073654700000000 ] - [ -0.0028936400000000, 0.0026298000000000, 0.0038901400000000 ] - [ -0.0000847000000000, -0.0015210400000000, -0.0029449100000000 ] - [ 0.0000000000000000, -0.0016202200000000, 0.0011622200000000 ] - [ 0.0000000000000000, 0.0007280200000000, -0.0012101000000000 ] - [ 0.0000000000000000, 0.0013126700000000, 0.0037005000000000 ] - [ 0.0000000000000000, 0.0008297700000000, -0.0040090300000000 ] - [ 0.0000000000000000, -0.0163085900000000, 0.1199087700000000 ] - [ 0.0000000000000000, -0.0015819000000000, -0.0087708500000000 ] - [ 0.0000000000000000, -0.0005170800000000, 0.0003674400000000 ] - [ 0.0000000000000000, 0.0016060500000000, -0.0017118700000000 ] - [ 0.0000000000000000, -0.0005118200000000, 0.0009719400000000 ] - [ 0.0000000000000000, 0.0000808200000000, -0.0014418500000000 ] - [ 0.0000000000000000, 0.0005657200000000, 0.0010298700000000 ] - [ 0.0000000000000000, -0.0006101800000000, -0.0021148200000000 ] - [ -0.0052424700000000, -0.0027475900000000, 0.0103951200000000 ] - [ 0.0089672700000000, 0.0043892100000000, 0.0141087400000000 ] - [ -0.0002115200000000, 0.0000817900000000, -0.0009513300000000 ] - [ -0.0001330500000000, 0.0000442400000000, 0.0010458800000000 ] - [ 0.0052424700000000, -0.0027475900000000, 0.0103951200000000 ] - [ -0.0089672700000000, 0.0043892100000000, 0.0141087400000000 ] - [ 0.0002115200000000, 0.0000817900000000, -0.0009513300000000 ] - [ 0.0001330500000000, 0.0000442400000000, 0.0010458800000000 ] - [ 0.0034773500000000, -0.0028867200000000, 0.0021709300000000 ] - [ -0.0004983600000000, 0.0023418300000000, -0.0002245600000000 ] - [ -0.0010758600000000, 0.0003997200000000, -0.0043488400000000 ] - [ 0.0010043900000000, 0.0004292600000000, 0.0027028100000000 ] - [ -0.0034773500000000, -0.0028867200000000, 0.0021709300000000 ] - [ 0.0004983600000000, 0.0023418300000000, -0.0002245600000000 ] - [ 0.0010758600000000, 0.0003997200000000, -0.0043488400000000 ] - [ -0.0010043900000000, 0.0004292600000000, 0.0027028100000000 ] - [ 0.0000000000000000, 0.0037674500000000, 0.0043490300000000 ] - [ 0.0000000000000000, -0.0100124500000000, 0.0087651900000000 ] - [ 0.0000000000000000, 0.0021312300000000, -0.0048185100000000 ] - [ 0.0000000000000000, -0.0012749500000000, 0.0036990700000000 ] - [ 0.0000000000000000, 0.0138991900000000, -0.1966227600000000 ] - [ 0.0000000000000000, -0.0001200000000000, 0.0058550900000000 ] - [ 0.0000000000000000, 0.0002256500000000, -0.0000251900000000 ] - [ 0.0000000000000000, -0.0013738000000000, -0.0000040400000000 ] - [ 0.0001064200000000, 0.0003069300000000, 0.0001108400000000 ] - [ -0.0001052700000000, -0.0001535900000000, 0.0000187500000000 ] - [ -0.0008108400000000, -0.0012995900000000, -0.0045158900000000 ] - [ 0.0007762900000000, 0.0005144300000000, 0.0032441800000000 ] - [ -0.0001064200000000, 0.0003069300000000, 0.0001108400000000 ] - [ 0.0001052700000000, -0.0001535900000000, 0.0000187500000000 ] - [ 0.0008108400000000, -0.0012995900000000, -0.0045158900000000 ] - [ -0.0007762900000000, 0.0005144300000000, 0.0032441800000000 ] - [ -0.0031029700000000, 0.0029873100000000, 0.0049348800000000 ] - [ 0.0017126200000000, -0.0011352900000000, -0.0007303100000000 ] - [ 0.0012743000000000, 0.0019831800000000, -0.0043830100000000 ] - [ -0.0007846400000000, -0.0008260400000000, 0.0023280600000000 ] - [ 0.0031029700000000, 0.0029873100000000, 0.0049348800000000 ] - [ -0.0017126200000000, -0.0011352900000000, -0.0007303100000000 ] - [ -0.0012743000000000, 0.0019831800000000, -0.0043830100000000 ] - [ 0.0007846400000000, -0.0008260400000000, 0.0023280600000000 ] - [ 0.0000000000000000, -0.0003534900000000, -0.0000927000000000 ] - [ 0.0000000000000000, 0.0006487900000000, 0.0003771200000000 ] - [ 0.0000000000000000, 0.0003081100000000, -0.0013502600000000 ] - [ 0.0000000000000000, 0.0001760200000000, 0.0014819500000000 ] - [ 0.0000000000000000, 0.0004248700000000, -0.0008001000000000 ] - [ 0.0000000000000000, 0.0000240200000000, 0.0011636900000000 ] - [ 0.0000000000000000, -0.0002966600000000, -0.0000064400000000 ] - [ 0.0000000000000000, 0.0000302000000000, -0.0000537400000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0006131800000000, -0.0004948000000000, -0.0020153900000000 ] - [ -0.0003940800000000, 0.0005020800000000, 0.0015349200000000 ] - [ 0.0048016400000000, 0.0047520300000000, -0.0044729700000000 ] - [ -0.0024412100000000, -0.0013058900000000, 0.0039887400000000 ] - [ -0.0006131800000000, -0.0004948000000000, -0.0020153900000000 ] - [ 0.0003940800000000, 0.0005020800000000, 0.0015349200000000 ] - [ -0.0048016400000000, 0.0047520300000000, -0.0044729700000000 ] - [ 0.0024412100000000, -0.0013058900000000, 0.0039887400000000 ] - [ 0.0000000000000000, 0.0002503800000000, -0.0126345700000000 ] - [ 0.0000000000000000, 0.0062659600000000, 0.0069591100000000 ] - [ 0.0000000000000000, 0.0008687100000000, -0.0022246500000000 ] - [ 0.0000000000000000, -0.0010568100000000, 0.0028704300000000 ] - [ 0.0035324900000000, -0.0020182400000000, -0.0120844500000000 ] - [ 0.0038902700000000, -0.0034088200000000, 0.0074294200000000 ] - [ -0.0029922000000000, -0.0023916800000000, -0.0037791500000000 ] - [ -0.0001634900000000, 0.0017456000000000, 0.0030110400000000 ] - [ -0.0035324900000000, -0.0020182400000000, -0.0120844500000000 ] - [ -0.0038902700000000, -0.0034088200000000, 0.0074294200000000 ] - [ 0.0029922000000000, -0.0023916800000000, -0.0037791500000000 ] - [ 0.0001634900000000, 0.0017456000000000, 0.0030110400000000 ] - [ 0.0000000000000000, 0.0018302700000000, -0.0012197900000000 ] - [ 0.0000000000000000, -0.0005018300000000, 0.0011358200000000 ] - [ 0.0000000000000000, -0.0015477500000000, -0.0037406300000000 ] - [ 0.0000000000000000, -0.0010303100000000, 0.0039127600000000 ] - [ 0.0000000000000000, 0.0147884100000000, -0.1122698300000000 ] - [ 0.0000000000000000, 0.0014949100000000, 0.0082787300000000 ] - [ 0.0000000000000000, 0.0005971900000000, -0.0009205300000000 ] - [ 0.0000000000000000, -0.0014998600000000, 0.0011737000000000 ] - [ 0.0000000000000000, 0.0004112100000000, -0.0015016600000000 ] - [ 0.0000000000000000, -0.0001889100000000, 0.0009133900000000 ] - [ 0.0000000000000000, -0.0004478100000000, -0.0015882300000000 ] - [ 0.0000000000000000, 0.0007032000000000, 0.0015836900000000 ] - [ 0.0055443400000000, 0.0026583700000000, -0.0104885700000000 ] - [ -0.0085950100000000, -0.0044382500000000, -0.0138923500000000 ] - [ -0.0000273900000000, 0.0000310200000000, 0.0009830100000000 ] - [ -0.0000641500000000, 0.0000906200000000, -0.0010396800000000 ] - [ -0.0055443400000000, 0.0026583700000000, -0.0104885700000000 ] - [ 0.0085950100000000, -0.0044382500000000, -0.0138923500000000 ] - [ 0.0000273900000000, 0.0000310200000000, 0.0009830100000000 ] - [ 0.0000641500000000, 0.0000906200000000, -0.0010396800000000 ] - [ -0.0035351000000000, 0.0030909100000000, -0.0022950100000000 ] - [ 0.0004385900000000, -0.0021264200000000, 0.0000838900000000 ] - [ 0.0011198700000000, -0.0006380800000000, 0.0042180400000000 ] - [ -0.0009427700000000, -0.0006262800000000, -0.0028263800000000 ] - [ 0.0035351000000000, 0.0030909100000000, -0.0022950100000000 ] - [ -0.0004385900000000, -0.0021264200000000, 0.0000838900000000 ] - [ -0.0011198700000000, -0.0006380800000000, 0.0042180400000000 ] - [ 0.0009427700000000, -0.0006262800000000, -0.0028263800000000 ] - [ 0.0000000000000000, -0.0039298800000000, -0.0041223200000000 ] - [ 0.0000000000000000, 0.0097444700000000, -0.0083824000000000 ] - [ 0.0000000000000000, -0.0018619600000000, 0.0051055200000000 ] - [ 0.0000000000000000, 0.0013575600000000, -0.0034561700000000 ] - [ 0.0000000000000000, -0.0125973000000000, 0.1888991900000000 ] - [ 0.0000000000000000, 0.0001818000000000, -0.0054565700000000 ] - [ 0.0000000000000000, -0.0002973000000000, 0.0003984700000000 ] - [ 0.0000000000000000, 0.0013065300000000, 0.0004300200000000 ] - [ 0.0000994200000000, -0.0004350300000000, -0.0000954900000000 ] - [ 0.0003390200000000, 0.0000398700000000, 0.0000075700000000 ] - [ 0.0005581600000000, 0.0014333600000000, 0.0045186000000000 ] - [ -0.0010126300000000, -0.0004090800000000, -0.0031976300000000 ] - [ -0.0000994200000000, -0.0004350300000000, -0.0000954900000000 ] - [ -0.0003390200000000, 0.0000398700000000, 0.0000075700000000 ] - [ -0.0005581600000000, 0.0014333600000000, 0.0045186000000000 ] - [ 0.0010126300000000, -0.0004090800000000, -0.0031976300000000 ] - [ 0.0030085600000000, -0.0027468100000000, -0.0050166900000000 ] - [ -0.0017602000000000, 0.0013318500000000, 0.0005949900000000 ] - [ -0.0012232300000000, -0.0021987100000000, 0.0042652300000000 ] - [ 0.0008352300000000, 0.0006172000000000, -0.0024461800000000 ] - [ -0.0030085600000000, -0.0027468100000000, -0.0050166900000000 ] - [ 0.0017602000000000, 0.0013318500000000, 0.0005949900000000 ] - [ 0.0012232300000000, -0.0021987100000000, 0.0042652300000000 ] - [ -0.0008352300000000, 0.0006172000000000, -0.0024461800000000 ] - [ 0.0000000000000000, 0.0002568600000000, 0.0003425200000000 ] - [ 0.0000000000000000, -0.0007908100000000, -0.0001142300000000 ] - [ 0.0000000000000000, -0.0002243200000000, 0.0015826300000000 ] - [ 0.0000000000000000, -0.0000056700000000, -0.0012058900000000 ] - [ 0.0000000000000000, -0.0003563000000000, 0.0011709200000000 ] - [ 0.0000000000000000, 0.0000378200000000, -0.0007426600000000 ] - [ 0.0000000000000000, 0.0002339300000000, 0.0004540000000000 ] - [ 0.0000000000000000, -0.0001020200000000, 0.0003982500000000 ]