# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/fee2e028-fd91-4171-81b5-06f1586c73a4/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 CdI2 / P3m1 (156) / materials id 647489](https://mdr.nims.go.jp/datasets/2ffd2fb7-93f1-47bc-8e57-79cabd2df30e) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P3m1" number: 156 Hall_symbol: "P 3 -2\""supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 4.221906000000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.110953000000000, 3.656277850000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 47.946988580000003 ] # c points: - symbol: Cd # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.178571550000000 ] mass: 112.411000 - symbol: Cd # 2 coordinates: [ 0.333333330000000, 0.666666670000000, 0.035731610000000 ] mass: 112.411000 - symbol: Cd # 3 coordinates: [ 0.333333330000000, 0.666666670000000, 0.892845110000000 ] mass: 112.411000 - symbol: Cd # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750005770000000 ] mass: 112.411000 - symbol: Cd # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.321398240000000 ] mass: 112.411000 - symbol: Cd # 6 coordinates: [ 0.333333330000000, 0.666666670000000, 0.464296910000000 ] mass: 112.411000 - symbol: Cd # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.607122850000000 ] mass: 112.411000 - symbol: I # 8 coordinates: [ 0.666666670000000, 0.333333330000000, 0.214137290000000 ] mass: 126.904470 - symbol: I # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.428748280000000 ] mass: 126.904470 - symbol: I # 10 coordinates: [ 0.333333330000000, 0.666666670000000, 0.571567130000000 ] mass: 126.904470 - symbol: I # 11 coordinates: [ 0.333333330000000, 0.666666670000000, 0.714457630000000 ] mass: 126.904470 - symbol: I # 12 coordinates: [ 0.666666670000000, 0.333333330000000, 0.928408580000000 ] mass: 126.904470 - symbol: I # 13 coordinates: [ 0.666666670000000, 0.333333330000000, 0.356961810000000 ] mass: 126.904470 - symbol: I # 14 coordinates: [ 0.000000000000000, 0.000000000000000, 0.857287250000000 ] mass: 126.904470 - symbol: I # 15 coordinates: [ 0.666666670000000, 0.333333330000000, 0.642687310000000 ] mass: 126.904470 - symbol: I # 16 coordinates: [ 0.333333330000000, 0.666666670000000, 0.143019340000000 ] mass: 126.904470 - symbol: I # 17 coordinates: [ 0.666666670000000, 0.333333330000000, 0.499861070000000 ] mass: 126.904470 - symbol: I # 18 coordinates: [ 0.666666670000000, 0.333333330000000, 0.785570260000000 ] mass: 126.904470 - symbol: I # 19 coordinates: [ 0.666666670000000, 0.333333330000000, 0.071297650000000 ] mass: 126.904470 - symbol: I # 20 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000183700000000 ] mass: 126.904470 - symbol: I # 21 coordinates: [ 0.000000000000000, 0.000000000000000, 0.285840640000000 ] mass: 126.904470 reciprocal_lattice: # without 2pi - [ 0.236859844818904, 0.136751095106188, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.273502190212377, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.020856367200862 ] # c*unit_cell: lattice: - [ 4.221906000000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.110953000000000, 3.656277850000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 47.946988580000003 ] # c points: - symbol: Cd # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.178571550000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 2 coordinates: [ 0.333333330000000, 0.666666670000000, 0.035731610000000 ] mass: 112.411000 reduced_to: 2 - symbol: Cd # 3 coordinates: [ 0.333333330000000, 0.666666670000000, 0.892845110000000 ] mass: 112.411000 reduced_to: 3 - symbol: Cd # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750005770000000 ] mass: 112.411000 reduced_to: 4 - symbol: Cd # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.321398240000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 6 coordinates: [ 0.333333330000000, 0.666666670000000, 0.464296910000000 ] mass: 112.411000 reduced_to: 6 - symbol: Cd # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.607122850000000 ] mass: 112.411000 reduced_to: 7 - symbol: I # 8 coordinates: [ 0.666666670000000, 0.333333330000000, 0.214137290000000 ] mass: 126.904470 reduced_to: 8 - symbol: I # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.428748280000000 ] mass: 126.904470 reduced_to: 9 - symbol: I # 10 coordinates: [ 0.333333330000000, 0.666666670000000, 0.571567130000000 ] mass: 126.904470 reduced_to: 10 - symbol: I # 11 coordinates: [ 0.333333330000000, 0.666666670000000, 0.714457630000000 ] mass: 126.904470 reduced_to: 11 - symbol: I # 12 coordinates: [ 0.666666670000000, 0.333333330000000, 0.928408580000000 ] mass: 126.904470 reduced_to: 12 - symbol: I # 13 coordinates: [ 0.666666670000000, 0.333333330000000, 0.356961810000000 ] mass: 126.904470 reduced_to: 13 - symbol: I # 14 coordinates: [ 0.000000000000000, 0.000000000000000, 0.857287250000000 ] mass: 126.904470 reduced_to: 14 - symbol: I # 15 coordinates: [ 0.666666670000000, 0.333333330000000, 0.642687310000000 ] mass: 126.904470 reduced_to: 15 - symbol: I # 16 coordinates: [ 0.333333330000000, 0.666666670000000, 0.143019340000000 ] mass: 126.904470 reduced_to: 16 - symbol: I # 17 coordinates: [ 0.666666670000000, 0.333333330000000, 0.499861070000000 ] mass: 126.904470 reduced_to: 17 - symbol: I # 18 coordinates: [ 0.666666670000000, 0.333333330000000, 0.785570260000000 ] mass: 126.904470 reduced_to: 18 - symbol: I # 19 coordinates: [ 0.666666670000000, 0.333333330000000, 0.071297650000000 ] mass: 126.904470 reduced_to: 19 - symbol: I # 20 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000183700000000 ] mass: 126.904470 reduced_to: 20 - symbol: I # 21 coordinates: [ 0.000000000000000, 0.000000000000000, 0.285840640000000 ] mass: 126.904470 reduced_to: 21supercell: lattice: - [ 8.443811999999999, 0.000000000000000, 0.000000000000000 ] # a - [ -4.221906000000000, 7.312555700000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 47.946988580000003 ] # c points: - symbol: Cd # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.178571550000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 2 coordinates: [ 0.500000000000000, 0.000000000000000, 0.178571550000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 3 coordinates: [ 0.000000000000000, 0.500000000000000, 0.178571550000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 4 coordinates: [ 0.500000000000000, 0.500000000000000, 0.178571550000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 5 coordinates: [ 0.166666665000000, 0.333333335000000, 0.035731610000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 6 coordinates: [ 0.666666665000000, 0.333333335000000, 0.035731610000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 7 coordinates: [ 0.166666665000000, 0.833333335000000, 0.035731610000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 8 coordinates: [ 0.666666665000000, 0.833333335000000, 0.035731610000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 9 coordinates: [ 0.166666665000000, 0.333333335000000, 0.892845110000000 ] mass: 112.411000 reduced_to: 9 - symbol: Cd # 10 coordinates: [ 0.666666665000000, 0.333333335000000, 0.892845110000000 ] mass: 112.411000 reduced_to: 9 - symbol: Cd # 11 coordinates: [ 0.166666665000000, 0.833333335000000, 0.892845110000000 ] mass: 112.411000 reduced_to: 9 - symbol: Cd # 12 coordinates: [ 0.666666665000000, 0.833333335000000, 0.892845110000000 ] mass: 112.411000 reduced_to: 9 - symbol: Cd # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750005770000000 ] mass: 112.411000 reduced_to: 13 - symbol: Cd # 14 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750005770000000 ] mass: 112.411000 reduced_to: 13 - symbol: Cd # 15 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750005770000000 ] mass: 112.411000 reduced_to: 13 - symbol: Cd # 16 coordinates: [ 0.500000000000000, 0.500000000000000, 0.750005770000000 ] mass: 112.411000 reduced_to: 13 - symbol: Cd # 17 coordinates: [ 0.166666665000000, 0.333333335000000, 0.321398240000000 ] mass: 112.411000 reduced_to: 17 - symbol: Cd # 18 coordinates: [ 0.666666665000000, 0.333333335000000, 0.321398240000000 ] mass: 112.411000 reduced_to: 17 - symbol: Cd # 19 coordinates: [ 0.166666665000000, 0.833333335000000, 0.321398240000000 ] mass: 112.411000 reduced_to: 17 - symbol: Cd # 20 coordinates: [ 0.666666665000000, 0.833333335000000, 0.321398240000000 ] mass: 112.411000 reduced_to: 17 - symbol: Cd # 21 coordinates: [ 0.166666665000000, 0.333333335000000, 0.464296910000000 ] mass: 112.411000 reduced_to: 21 - symbol: Cd # 22 coordinates: [ 0.666666665000000, 0.333333335000000, 0.464296910000000 ] mass: 112.411000 reduced_to: 21 - symbol: Cd # 23 coordinates: [ 0.166666665000000, 0.833333335000000, 0.464296910000000 ] mass: 112.411000 reduced_to: 21 - symbol: Cd # 24 coordinates: [ 0.666666665000000, 0.833333335000000, 0.464296910000000 ] mass: 112.411000 reduced_to: 21 - symbol: Cd # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.607122850000000 ] mass: 112.411000 reduced_to: 25 - symbol: Cd # 26 coordinates: [ 0.500000000000000, 0.000000000000000, 0.607122850000000 ] mass: 112.411000 reduced_to: 25 - symbol: Cd # 27 coordinates: [ 0.000000000000000, 0.500000000000000, 0.607122850000000 ] mass: 112.411000 reduced_to: 25 - symbol: Cd # 28 coordinates: [ 0.500000000000000, 0.500000000000000, 0.607122850000000 ] mass: 112.411000 reduced_to: 25 - symbol: I # 29 coordinates: [ 0.333333335000000, 0.166666665000000, 0.214137290000000 ] mass: 126.904470 reduced_to: 29 - symbol: I # 30 coordinates: [ 0.833333335000000, 0.166666665000000, 0.214137290000000 ] mass: 126.904470 reduced_to: 29 - symbol: I # 31 coordinates: [ 0.333333335000000, 0.666666665000000, 0.214137290000000 ] mass: 126.904470 reduced_to: 29 - symbol: I # 32 coordinates: [ 0.833333335000000, 0.666666665000000, 0.214137290000000 ] mass: 126.904470 reduced_to: 29 - symbol: I # 33 coordinates: [ 0.000000000000000, 0.000000000000000, 0.428748280000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 34 coordinates: [ 0.500000000000000, 0.000000000000000, 0.428748280000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 35 coordinates: [ 0.000000000000000, 0.500000000000000, 0.428748280000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 36 coordinates: [ 0.500000000000000, 0.500000000000000, 0.428748280000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 37 coordinates: [ 0.166666665000000, 0.333333335000000, 0.571567130000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 38 coordinates: [ 0.666666665000000, 0.333333335000000, 0.571567130000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 39 coordinates: [ 0.166666665000000, 0.833333335000000, 0.571567130000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 40 coordinates: [ 0.666666665000000, 0.833333335000000, 0.571567130000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 41 coordinates: [ 0.166666665000000, 0.333333335000000, 0.714457630000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 42 coordinates: [ 0.666666665000000, 0.333333335000000, 0.714457630000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 43 coordinates: [ 0.166666665000000, 0.833333335000000, 0.714457630000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 44 coordinates: [ 0.666666665000000, 0.833333335000000, 0.714457630000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 45 coordinates: [ 0.333333335000000, 0.166666665000000, 0.928408580000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 46 coordinates: [ 0.833333335000000, 0.166666665000000, 0.928408580000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 47 coordinates: [ 0.333333335000000, 0.666666665000000, 0.928408580000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 48 coordinates: [ 0.833333335000000, 0.666666665000000, 0.928408580000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 49 coordinates: [ 0.333333335000000, 0.166666665000000, 0.356961810000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 50 coordinates: [ 0.833333335000000, 0.166666665000000, 0.356961810000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 51 coordinates: [ 0.333333335000000, 0.666666665000000, 0.356961810000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 52 coordinates: [ 0.833333335000000, 0.666666665000000, 0.356961810000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 53 coordinates: [ 0.000000000000000, 0.000000000000000, 0.857287250000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 54 coordinates: [ 0.500000000000000, 0.000000000000000, 0.857287250000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 55 coordinates: [ 0.000000000000000, 0.500000000000000, 0.857287250000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 56 coordinates: [ 0.500000000000000, 0.500000000000000, 0.857287250000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 57 coordinates: [ 0.333333335000000, 0.166666665000000, 0.642687310000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 58 coordinates: [ 0.833333335000000, 0.166666665000000, 0.642687310000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 59 coordinates: [ 0.333333335000000, 0.666666665000000, 0.642687310000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 60 coordinates: [ 0.833333335000000, 0.666666665000000, 0.642687310000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 61 coordinates: [ 0.166666665000000, 0.333333335000000, 0.143019340000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 62 coordinates: [ 0.666666665000000, 0.333333335000000, 0.143019340000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 63 coordinates: [ 0.166666665000000, 0.833333335000000, 0.143019340000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 64 coordinates: [ 0.666666665000000, 0.833333335000000, 0.143019340000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 65 coordinates: [ 0.333333335000000, 0.166666665000000, 0.499861070000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 66 coordinates: [ 0.833333335000000, 0.166666665000000, 0.499861070000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 67 coordinates: [ 0.333333335000000, 0.666666665000000, 0.499861070000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 68 coordinates: [ 0.833333335000000, 0.666666665000000, 0.499861070000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 69 coordinates: [ 0.333333335000000, 0.166666665000000, 0.785570260000000 ] mass: 126.904470 reduced_to: 69 - symbol: I # 70 coordinates: [ 0.833333335000000, 0.166666665000000, 0.785570260000000 ] mass: 126.904470 reduced_to: 69 - symbol: I # 71 coordinates: [ 0.333333335000000, 0.666666665000000, 0.785570260000000 ] mass: 126.904470 reduced_to: 69 - symbol: I # 72 coordinates: [ 0.833333335000000, 0.666666665000000, 0.785570260000000 ] mass: 126.904470 reduced_to: 69 - symbol: I # 73 coordinates: [ 0.333333335000000, 0.166666665000000, 0.071297650000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 74 coordinates: [ 0.833333335000000, 0.166666665000000, 0.071297650000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 75 coordinates: [ 0.333333335000000, 0.666666665000000, 0.071297650000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 76 coordinates: [ 0.833333335000000, 0.666666665000000, 0.071297650000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 77 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000183700000000 ] mass: 126.904470 reduced_to: 77 - symbol: I # 78 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000183700000000 ] mass: 126.904470 reduced_to: 77 - symbol: I # 79 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000183700000000 ] mass: 126.904470 reduced_to: 77 - symbol: I # 80 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000183700000000 ] mass: 126.904470 reduced_to: 77 - symbol: I # 81 coordinates: [ 0.000000000000000, 0.000000000000000, 0.285840640000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 82 coordinates: [ 0.500000000000000, 0.000000000000000, 0.285840640000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 83 coordinates: [ 0.000000000000000, 0.500000000000000, 0.285840640000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 84 coordinates: [ 0.500000000000000, 0.500000000000000, 0.285840640000000 ] mass: 126.904470 reduced_to: 81born_effective_charge:- # 1 (Cd) - [ 3.017259160000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 3.017259160000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.684533400000000 ]- # 2 (Cd) - [ 3.021566590000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 3.021566590000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.683202700000000 ]- # 3 (Cd) - [ 3.034734540000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 3.034734540000001, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.691802180000000 ]- # 4 (Cd) - [ 3.021663860000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 3.021663860000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.683120830000000 ]- # 5 (Cd) - [ 3.034785970000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 3.034785970000001, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.692162620000000 ]- # 6 (Cd) - [ 3.021660720000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 3.021660720000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.683094310000000 ]- # 7 (Cd) - [ 3.034836700000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 3.034836700000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.691708870000000 ]- # 8 (I) - [ -1.501930460000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.501930460000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.848768880000000 ]- # 9 (I) - [ -1.531172990000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.531172990000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.844731850000000 ]- # 10 (I) - [ -1.503136870000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.503136870000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.834969210000000 ]- # 11 (I) - [ -1.531095440000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.531095440000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.844521010000000 ]- # 12 (I) - [ -1.521394280000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.521394280000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.848636370000000 ]- # 13 (I) - [ -1.521438040000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -1.521438040000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.848643150000000 ]- # 14 (I) - [ -1.503293610000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -1.503293610000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.835194530000000 ]- # 15 (I) - [ -1.521418510000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -1.521418510000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.848579710000000 ]- # 16 (I) - [ -1.514240160000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.514240160000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.835308400000000 ]- # 17 (I) - [ -1.501028370000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.501028370000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.846766480000000 ]- # 18 (I) - [ -1.501239170000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -1.501239170000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.846727580000000 ]- # 19 (I) - [ -1.501159680000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.501159680000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.847023940000000 ]- # 20 (I) - [ -1.531249870000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -1.531249870000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.844520300000000 ]- # 21 (I) - [ -1.502710040000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.502710040000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.835233530000000 ]dielectric_constant: - [ 6.043865030000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 6.043865040000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.845152430000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0336938600000000, 0.0000012600000000, -0.0001779100000000 ] - [ 0.0114394500000000, 0.0000009200000000, -0.0001856300000000 ] - [ 0.0003804400000000, -0.0063849600000000, 0.0038984700000000 ] - [ 0.0003803200000000, 0.0063839200000000, -0.0042685500000000 ] - [ -0.0002776700000000, 0.0000002700000000, 0.0004784800000000 ] - [ 0.0002577100000000, -0.0000007200000000, 0.0004777800000000 ] - [ 0.0000266200000000, -0.0001750800000000, 0.0004149800000000 ] - [ 0.0000249200000000, 0.0001752700000000, 0.0005409900000000 ] - [ -0.0000052200000000, 0.0000000400000000, -0.0003822800000000 ] - [ 0.0000030400000000, -0.0000000400000000, -0.0003823400000000 ] - [ -0.0000010300000000, -0.0000024300000000, -0.0003869200000000 ] - [ -0.0000011000000000, 0.0000023800000000, -0.0003776900000000 ] - [ 0.0000006300000000, -0.0000000500000000, 0.0001614700000000 ] - [ -0.0000011400000000, -0.0000000900000000, 0.0001614400000000 ] - [ -0.0000008300000000, 0.0000001200000000, 0.0001613000000000 ] - [ -0.0000008500000000, -0.0000002500000000, 0.0001615400000000 ] - [ -0.0002779200000000, 0.0000000300000000, -0.0003220300000000 ] - [ 0.0002579500000000, -0.0000001700000000, -0.0003218100000000 ] - [ 0.0000258600000000, -0.0001752100000000, -0.0005595100000000 ] - [ 0.0000255200000000, 0.0001753800000000, -0.0000839900000000 ] - [ 0.0000078900000000, -0.0000001500000000, 0.0002324500000000 ] - [ -0.0000103100000000, -0.0000001000000000, 0.0002324700000000 ] - [ -0.0000013700000000, 0.0000052300000000, 0.0002352900000000 ] - [ -0.0000012500000000, -0.0000053600000000, 0.0002296100000000 ] - [ 0.0000005000000000, 0.0000000700000000, -0.0000400500000000 ] - [ -0.0000012200000000, 0.0000000400000000, -0.0000400900000000 ] - [ -0.0000008300000000, 0.0000002300000000, -0.0000403300000000 ] - [ -0.0000008200000000, -0.0000002200000000, -0.0000399400000000 ] - [ 0.0058635400000000, 0.0032843100000000, 0.0082223700000000 ] - [ 0.0056137600000000, -0.0030963600000000, -0.0075937900000000 ] - [ -0.0009365300000000, 0.0000032900000000, 0.0001769600000000 ] - [ 0.0002138000000000, 0.0000260800000000, 0.0001529000000000 ] - [ 0.0000008900000000, 0.0000000500000000, -0.0006419400000000 ] - [ -0.0000029600000000, 0.0000000600000000, -0.0006419700000000 ] - [ -0.0000012900000000, 0.0000010000000000, -0.0006530000000000 ] - [ -0.0000013000000000, -0.0000009100000000, -0.0006310300000000 ] - [ -0.0000000200000000, -0.0000000100000000, -0.0004752100000000 ] - [ -0.0000008300000000, -0.0000000300000000, -0.0004752400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004747400000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0004758400000000 ] - [ -0.0000003800000000, -0.0000002300000000, -0.0005691600000000 ] - [ -0.0000004000000000, -0.0000002200000000, -0.0005691600000000 ] - [ -0.0000002400000000, -0.0000003100000000, -0.0005683000000000 ] - [ -0.0000002000000000, -0.0000001200000000, -0.0005699900000000 ] - [ 0.0000000300000000, 0.0000007900000000, 0.0005694700000000 ] - [ 0.0000000400000000, -0.0000010900000000, 0.0005592400000000 ] - [ -0.0000010600000000, -0.0000001200000000, 0.0005644200000000 ] - [ -0.0000016000000000, -0.0000001000000000, 0.0005644700000000 ] - [ -0.0000042400000000, 0.0000978700000000, 0.0006698000000000 ] - [ -0.0000044400000000, -0.0000982000000000, 0.0006752000000000 ] - [ 0.0002024400000000, -0.0000000800000000, 0.0006727400000000 ] - [ -0.0001741400000000, -0.0000001600000000, 0.0006723700000000 ] - [ 0.0000030300000000, 0.0000002600000000, -0.0003458700000000 ] - [ -0.0000042200000000, 0.0000002800000000, -0.0003458500000000 ] - [ -0.0000011400000000, 0.0000021000000000, -0.0003454900000000 ] - [ -0.0000010900000000, -0.0000015100000000, -0.0003460200000000 ] - [ -0.0000007400000000, 0.0000002000000000, 0.0004296800000000 ] - [ -0.0000007000000000, 0.0000000100000000, 0.0004314400000000 ] - [ -0.0000008800000000, 0.0000001400000000, 0.0004305500000000 ] - [ -0.0000009000000000, 0.0000001200000000, 0.0004304700000000 ] - [ 0.0002299800000000, -0.0000262100000000, -0.0005073300000000 ] - [ -0.0009363900000000, -0.0000031500000000, -0.0005314200000000 ] - [ 0.0059727500000000, -0.0033379700000000, -0.0086034500000000 ] - [ 0.0057227100000000, 0.0031499500000000, 0.0072650600000000 ] - [ -0.0000004000000000, -0.0000020600000000, 0.0004393700000000 ] - [ -0.0000003700000000, 0.0000018200000000, 0.0004340200000000 ] - [ -0.0000020800000000, -0.0000001600000000, 0.0004366700000000 ] - [ 0.0000029700000000, -0.0000001600000000, 0.0004366700000000 ] - [ -0.0000006300000000, 0.0000001400000000, 0.0005028100000000 ] - [ -0.0000006100000000, 0.0000000900000000, 0.0005039100000000 ] - [ -0.0000014100000000, 0.0000001100000000, 0.0005033400000000 ] - [ -0.0000006800000000, 0.0000001200000000, 0.0005034100000000 ] - [ 0.0000035500000000, 0.0000303600000000, 0.0005581500000000 ] - [ 0.0000035900000000, -0.0000308700000000, 0.0004867600000000 ] - [ -0.0001475900000000, -0.0000001200000000, 0.0005214700000000 ] - [ -0.0000494500000000, -0.0000000100000000, 0.0005233900000000 ] - [ 0.0000038100000000, -0.0000000300000000, -0.0005759900000000 ] - [ 0.0000059700000000, 0.0000002800000000, -0.0005765700000000 ] - [ -0.0000223800000000, -0.0000161200000000, -0.0007351600000000 ] - [ -0.0000218100000000, 0.0000163100000000, -0.0004171700000000 ] - [ -0.0000293900000000, 0.0000002900000000, -0.0001112400000000 ] - [ -0.0000829400000000, 0.0000001300000000, -0.0001108800000000 ] - [ 0.0000187300000000, 0.0000585200000000, 0.0001415900000000 ] - [ 0.0000184700000000, -0.0000587200000000, -0.0003641100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0330197500000000 ] - [ 0.0000000000000000, -0.0047152500000000, -0.0093483000000000 ] - [ 0.0040835300000000, 0.0023576200000000, -0.0093483000000000 ] - [ -0.0040835300000000, 0.0023576200000000, -0.0093483000000000 ] - [ 0.0000000000000000, 0.0002743900000000, 0.0008841900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007429100000000 ] - [ 0.0002376300000000, -0.0001372000000000, 0.0008841900000000 ] - [ -0.0002376300000000, -0.0001372000000000, 0.0008841900000000 ] - [ 0.0000000000000000, 0.0000001000000000, -0.0000211900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000254000000000 ] - [ 0.0000000900000000, -0.0000000500000000, -0.0000211900000000 ] - [ -0.0000000900000000, -0.0000000500000000, -0.0000211900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005187400000000 ] - [ 0.0000000000000000, 0.0000001400000000, 0.0005212400000000 ] - [ -0.0000001200000000, -0.0000000700000000, 0.0005212400000000 ] - [ 0.0000001200000000, -0.0000000700000000, 0.0005212400000000 ] - [ 0.0000000000000000, 0.0000739700000000, 0.0000855600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000557100000000 ] - [ 0.0000640600000000, -0.0000369800000000, 0.0000855600000000 ] - [ -0.0000640600000000, -0.0000369800000000, 0.0000855600000000 ] - [ 0.0000000000000000, -0.0000044500000000, 0.0005902600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005929600000000 ] - [ -0.0000038500000000, 0.0000022300000000, 0.0005902600000000 ] - [ 0.0000038500000000, 0.0000022300000000, 0.0005902600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003194300000000 ] - [ 0.0000000000000000, 0.0000001000000000, 0.0003212500000000 ] - [ -0.0000000800000000, -0.0000000500000000, 0.0003212500000000 ] - [ 0.0000000800000000, -0.0000000500000000, 0.0003212500000000 ] - [ 0.0061489500000000, 0.0035501000000000, 0.0091837100000000 ] - [ -0.0061489500000000, 0.0035501000000000, 0.0091837100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030715100000000 ] - [ 0.0000000000000000, -0.0071001900000000, 0.0091837100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008180500000000 ] - [ 0.0000000000000000, 0.0000005200000000, -0.0008265000000000 ] - [ -0.0000004500000000, -0.0000002600000000, -0.0008265000000000 ] - [ 0.0000004500000000, -0.0000002600000000, -0.0008265000000000 ] - [ 0.0000000000000000, 0.0000002200000000, -0.0006531800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006536700000000 ] - [ 0.0000001900000000, -0.0000001100000000, -0.0006531800000000 ] - [ -0.0000001900000000, -0.0000001100000000, -0.0006531800000000 ] - [ 0.0000000000000000, 0.0000009700000000, -0.0007512200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007488000000000 ] - [ 0.0000008400000000, -0.0000004900000000, -0.0007512200000000 ] - [ -0.0000008400000000, -0.0000004900000000, -0.0007512200000000 ] - [ -0.0000011000000000, -0.0000006400000000, 0.0003872700000000 ] - [ 0.0000011000000000, -0.0000006400000000, 0.0003872700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003869200000000 ] - [ 0.0000000000000000, 0.0000012800000000, 0.0003872700000000 ] - [ -0.0000700700000000, -0.0000404600000000, 0.0005033400000000 ] - [ 0.0000700700000000, -0.0000404600000000, 0.0005033400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004562000000000 ] - [ 0.0000000000000000, 0.0000809100000000, 0.0005033400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005263600000000 ] - [ 0.0000000000000000, 0.0000018900000000, -0.0005235800000000 ] - [ -0.0000016300000000, -0.0000009400000000, -0.0005235800000000 ] - [ 0.0000016300000000, -0.0000009400000000, -0.0005235800000000 ] - [ -0.0000008700000000, -0.0000005000000000, 0.0002522300000000 ] - [ 0.0000008700000000, -0.0000005000000000, 0.0002522300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002546700000000 ] - [ 0.0000000000000000, 0.0000010100000000, 0.0002522300000000 ] - [ 0.0000000000000000, -0.0070053700000000, 0.0084020500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023715000000000 ] - [ -0.0060668300000000, 0.0035026800000000, 0.0084020500000000 ] - [ 0.0060668300000000, 0.0035026800000000, 0.0084020500000000 ] - [ 0.0000012600000000, 0.0000007300000000, 0.0002617100000000 ] - [ -0.0000012600000000, 0.0000007300000000, 0.0002617100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002610300000000 ] - [ 0.0000000000000000, -0.0000014500000000, 0.0002617100000000 ] - [ -0.0000002700000000, -0.0000001500000000, 0.0003277300000000 ] - [ 0.0000002700000000, -0.0000001500000000, 0.0003277300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003270900000000 ] - [ 0.0000000000000000, 0.0000003100000000, 0.0003277300000000 ] - [ -0.0000135500000000, -0.0000078200000000, 0.0004939100000000 ] - [ 0.0000135500000000, -0.0000078200000000, 0.0004939100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001478200000000 ] - [ 0.0000000000000000, 0.0000156500000000, 0.0004939100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006377100000000 ] - [ 0.0000000000000000, 0.0000572300000000, -0.0008038900000000 ] - [ -0.0000495700000000, -0.0000286200000000, -0.0008038900000000 ] - [ 0.0000495700000000, -0.0000286200000000, -0.0008038900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002935200000000 ] - [ 0.0000000000000000, 0.0000123400000000, -0.0001772000000000 ] - [ -0.0000106900000000, -0.0000061700000000, -0.0001772000000000 ] - [ 0.0000106900000000, -0.0000061700000000, -0.0001772000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0325603100000000 ] - [ 0.0000000000000000, 0.0047158400000000, 0.0089793700000000 ] - [ -0.0040840400000000, -0.0023579200000000, 0.0089793700000000 ] - [ 0.0040840400000000, -0.0023579200000000, 0.0089793700000000 ] - [ 0.0000000000000000, -0.0002725100000000, 0.0000748600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002138900000000 ] - [ -0.0002360000000000, 0.0001362600000000, 0.0000748600000000 ] - [ 0.0002360000000000, 0.0001362600000000, 0.0000748600000000 ] - [ 0.0000000000000000, -0.0000001100000000, -0.0007429800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007387600000000 ] - [ -0.0000001000000000, 0.0000000600000000, -0.0007429800000000 ] - [ 0.0000001000000000, 0.0000000600000000, -0.0007429800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001930700000000 ] - [ 0.0000000000000000, -0.0000001400000000, -0.0001970900000000 ] - [ 0.0000001200000000, 0.0000000700000000, -0.0001970900000000 ] - [ -0.0000001200000000, 0.0000000700000000, -0.0001970900000000 ] - [ 0.0000000000000000, -0.0000715600000000, -0.0007270200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005868200000000 ] - [ -0.0000619700000000, 0.0000357800000000, -0.0007270200000000 ] - [ 0.0000619700000000, 0.0000357800000000, -0.0007270200000000 ] - [ 0.0000000000000000, 0.0000044500000000, -0.0001244500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001272400000000 ] - [ 0.0000038500000000, -0.0000022200000000, -0.0001244500000000 ] - [ -0.0000038500000000, -0.0000022200000000, -0.0001244500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003969900000000 ] - [ 0.0000000000000000, -0.0000001100000000, -0.0004004700000000 ] - [ 0.0000001000000000, 0.0000000600000000, -0.0004004700000000 ] - [ -0.0000001000000000, 0.0000000600000000, -0.0004004700000000 ] - [ -0.0059517300000000, -0.0034362400000000, -0.0087404400000000 ] - [ 0.0059517300000000, -0.0034362400000000, -0.0087404400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027207000000000 ] - [ 0.0000000000000000, 0.0068724700000000, -0.0087404400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004665500000000 ] - [ 0.0000000000000000, -0.0000004600000000, -0.0004579500000000 ] - [ 0.0000004000000000, 0.0000002300000000, -0.0004579500000000 ] - [ -0.0000004000000000, 0.0000002300000000, -0.0004579500000000 ] - [ 0.0000000000000000, -0.0000002100000000, -0.0002957400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002951700000000 ] - [ -0.0000001800000000, 0.0000001000000000, -0.0002957400000000 ] - [ 0.0000001800000000, 0.0000001000000000, -0.0002957400000000 ] - [ 0.0000000000000000, -0.0000009500000000, -0.0003877400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003902700000000 ] - [ -0.0000008200000000, 0.0000004700000000, -0.0003877400000000 ] - [ 0.0000008200000000, 0.0000004700000000, -0.0003877400000000 ] - [ 0.0000011600000000, 0.0000006700000000, 0.0007427000000000 ] - [ -0.0000011600000000, 0.0000006700000000, 0.0007427000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007431000000000 ] - [ 0.0000000000000000, -0.0000013400000000, 0.0007427000000000 ] - [ 0.0000696000000000, 0.0000401800000000, 0.0008418400000000 ] - [ -0.0000696000000000, 0.0000401800000000, 0.0008418400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008903300000000 ] - [ 0.0000000000000000, -0.0000803600000000, 0.0008418400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001633700000000 ] - [ 0.0000000000000000, -0.0000018200000000, -0.0001662000000000 ] - [ 0.0000015800000000, 0.0000009100000000, -0.0001662000000000 ] - [ -0.0000015800000000, 0.0000009100000000, -0.0001662000000000 ] - [ 0.0000008700000000, 0.0000005000000000, 0.0006098800000000 ] - [ -0.0000008700000000, 0.0000005000000000, 0.0006098800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006074000000000 ] - [ 0.0000000000000000, -0.0000010100000000, 0.0006098800000000 ] - [ 0.0000000000000000, 0.0072335400000000, -0.0095529700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034302000000000 ] - [ 0.0062644300000000, -0.0036167700000000, -0.0095529700000000 ] - [ -0.0062644300000000, -0.0036167700000000, -0.0095529700000000 ] - [ -0.0000012600000000, -0.0000007300000000, 0.0006144800000000 ] - [ 0.0000012600000000, -0.0000007300000000, 0.0006144800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006150200000000 ] - [ 0.0000000000000000, 0.0000014600000000, 0.0006144800000000 ] - [ 0.0000002600000000, 0.0000001500000000, 0.0006819600000000 ] - [ -0.0000002600000000, 0.0000001500000000, 0.0006819600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006825300000000 ] - [ 0.0000000000000000, -0.0000003000000000, 0.0006819600000000 ] - [ 0.0000131800000000, 0.0000076100000000, 0.0005542100000000 ] - [ -0.0000131800000000, 0.0000076100000000, 0.0005542100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008955100000000 ] - [ 0.0000000000000000, -0.0000152200000000, 0.0005542100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005152200000000 ] - [ 0.0000000000000000, -0.0000563100000000, -0.0003493800000000 ] - [ 0.0000487700000000, 0.0000281500000000, -0.0003493800000000 ] - [ -0.0000487700000000, 0.0000281500000000, -0.0003493800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000711100000000 ] - [ 0.0000000000000000, -0.0000128500000000, -0.0000417900000000 ] - [ 0.0000111300000000, 0.0000064300000000, -0.0000417900000000 ] - [ -0.0000111300000000, 0.0000064300000000, -0.0000417900000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002775500000000, -0.0000001200000000, -0.0001851400000000 ] - [ 0.0002577700000000, 0.0000000900000000, -0.0001848800000000 ] - [ 0.0000257400000000, -0.0001752700000000, 0.0000519700000000 ] - [ 0.0000260200000000, 0.0001750700000000, -0.0004216400000000 ] - [ -0.0337110300000000, -0.0000005800000000, 0.0004746200000000 ] - [ 0.0114416100000000, 0.0000008000000000, 0.0004778700000000 ] - [ 0.0003802100000000, -0.0063863600000000, -0.0036078100000000 ] - [ 0.0003799600000000, 0.0063853100000000, 0.0045645600000000 ] - [ -0.0000831500000000, -0.0000003900000000, -0.0003826300000000 ] - [ 0.0000839800000000, 0.0000004600000000, -0.0003818000000000 ] - [ 0.0000465800000000, -0.0000212500000000, -0.0005514500000000 ] - [ 0.0000479700000000, 0.0000211400000000, -0.0002133700000000 ] - [ 0.0000081000000000, -0.0000000500000000, 0.0001616200000000 ] - [ -0.0000101600000000, -0.0000000800000000, 0.0001616100000000 ] - [ -0.0000010800000000, 0.0000052500000000, 0.0001577400000000 ] - [ -0.0000011200000000, -0.0000053600000000, 0.0001654300000000 ] - [ -0.0000083200000000, -0.0000000600000000, -0.0003218300000000 ] - [ 0.0000084800000000, -0.0000000800000000, -0.0003217700000000 ] - [ 0.0000002400000000, -0.0000047800000000, -0.0003243700000000 ] - [ 0.0000001800000000, 0.0000047900000000, -0.0003192100000000 ] - [ 0.0000005100000000, -0.0000001100000000, 0.0002325900000000 ] - [ -0.0000007200000000, -0.0000000700000000, 0.0002326700000000 ] - [ -0.0000006500000000, 0.0000000100000000, 0.0002326100000000 ] - [ -0.0000005200000000, -0.0000001500000000, 0.0002326600000000 ] - [ -0.0000022200000000, 0.0000000700000000, -0.0000399900000000 ] - [ -0.0000010500000000, 0.0000000500000000, -0.0000399800000000 ] - [ -0.0000009800000000, -0.0000007000000000, -0.0000397600000000 ] - [ -0.0000009400000000, 0.0000007200000000, -0.0000402700000000 ] - [ -0.0000043700000000, -0.0000984300000000, 0.0001729100000000 ] - [ -0.0000045900000000, 0.0000987800000000, 0.0001780500000000 ] - [ -0.0001752800000000, 0.0000001600000000, 0.0001753200000000 ] - [ 0.0002034700000000, 0.0000000900000000, 0.0001757100000000 ] - [ -0.0000003600000000, 0.0000000600000000, -0.0006410700000000 ] - [ -0.0000013400000000, 0.0000000600000000, -0.0006411100000000 ] - [ -0.0000004300000000, 0.0000000900000000, -0.0006414700000000 ] - [ -0.0000004400000000, 0.0000000100000000, -0.0006408000000000 ] - [ 0.0000002400000000, 0.0000000000000000, -0.0004743500000000 ] - [ -0.0000008200000000, -0.0000000300000000, -0.0004743600000000 ] - [ -0.0000007700000000, 0.0000000200000000, -0.0004743100000000 ] - [ -0.0000008000000000, -0.0000000100000000, -0.0004745200000000 ] - [ -0.0000034200000000, -0.0000002200000000, -0.0005683700000000 ] - [ 0.0000033100000000, -0.0000002000000000, -0.0005683500000000 ] - [ -0.0000005400000000, -0.0000024300000000, -0.0005706400000000 ] - [ -0.0000005100000000, 0.0000020000000000, -0.0005660400000000 ] - [ -0.0000053300000000, -0.0000109700000000, 0.0006101300000000 ] - [ -0.0000052700000000, 0.0000110600000000, 0.0005180600000000 ] - [ -0.0000243600000000, -0.0000003000000000, 0.0005649300000000 ] - [ -0.0002376700000000, -0.0000002600000000, 0.0005632300000000 ] - [ -0.0000001700000000, 0.0000015800000000, 0.0006687400000000 ] - [ -0.0000001400000000, -0.0000018500000000, 0.0006747900000000 ] - [ 0.0000028000000000, -0.0000001300000000, 0.0006718600000000 ] - [ -0.0000014500000000, -0.0000001200000000, 0.0006718300000000 ] - [ 0.0001401400000000, 0.0000004700000000, -0.0003450800000000 ] - [ -0.0001112600000000, 0.0000000800000000, -0.0003447800000000 ] - [ -0.0000126400000000, 0.0000886900000000, -0.0002835600000000 ] - [ -0.0000132300000000, -0.0000880700000000, -0.0004062500000000 ] - [ -0.0000004300000000, 0.0000001500000000, 0.0004297100000000 ] - [ -0.0000004100000000, 0.0000000800000000, 0.0004301200000000 ] - [ -0.0000003300000000, 0.0000001500000000, 0.0004298900000000 ] - [ -0.0000013100000000, 0.0000001300000000, 0.0004298200000000 ] - [ -0.0000295600000000, -0.0000002300000000, -0.0005303900000000 ] - [ -0.0000823500000000, -0.0000000300000000, -0.0005300300000000 ] - [ 0.0000190500000000, 0.0000588400000000, -0.0007835500000000 ] - [ 0.0000193300000000, -0.0000584200000000, -0.0002770400000000 ] - [ -0.0000000800000000, -0.0000001200000000, 0.0004352900000000 ] - [ -0.0000000600000000, -0.0000001100000000, 0.0004369400000000 ] - [ -0.0000000600000000, -0.0000001500000000, 0.0004360800000000 ] - [ -0.0000004100000000, -0.0000001600000000, 0.0004361000000000 ] - [ 0.0000000800000000, 0.0000007400000000, 0.0004924400000000 ] - [ 0.0000000800000000, -0.0000004900000000, 0.0005131800000000 ] - [ 0.0000011300000000, 0.0000001200000000, 0.0005027700000000 ] - [ -0.0000031900000000, 0.0000001300000000, 0.0005028800000000 ] - [ 0.0058653400000000, -0.0032851100000000, 0.0085713800000000 ] - [ 0.0056154800000000, 0.0030971500000000, -0.0072516000000000 ] - [ 0.0002141700000000, -0.0000260700000000, 0.0004983300000000 ] - [ -0.0009378800000000, -0.0000033100000000, 0.0005226200000000 ] - [ 0.0002260900000000, 0.0000261200000000, -0.0005519600000000 ] - [ -0.0009394300000000, 0.0000031700000000, -0.0005761900000000 ] - [ 0.0057169600000000, -0.0031489100000000, 0.0072300800000000 ] - [ 0.0059671600000000, 0.0033369800000000, -0.0086579600000000 ] - [ -0.0000016500000000, 0.0000002100000000, -0.0001098800000000 ] - [ -0.0000005100000000, 0.0000001900000000, -0.0001098100000000 ] - [ 0.0000000600000000, -0.0000007500000000, -0.0001010900000000 ] - [ 0.0000000600000000, 0.0000012200000000, -0.0001186500000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000739500000000, 0.0002167500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000760400000000 ] - [ -0.0000640400000000, 0.0000369800000000, 0.0002167500000000 ] - [ 0.0000640400000000, 0.0000369800000000, 0.0002167500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0321836500000000 ] - [ 0.0000000000000000, 0.0047189100000000, -0.0086875700000000 ] - [ -0.0040867000000000, -0.0023594600000000, -0.0086875700000000 ] - [ 0.0040867000000000, -0.0023594600000000, -0.0086875700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001740100000000 ] - [ 0.0000000000000000, 0.0001953400000000, 0.0000421600000000 ] - [ -0.0001691700000000, -0.0000976700000000, 0.0000421600000000 ] - [ 0.0001691700000000, -0.0000976700000000, 0.0000421600000000 ] - [ 0.0000000000000000, 0.0000032500000000, 0.0005169800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005197400000000 ] - [ 0.0000028100000000, -0.0000016200000000, 0.0005169800000000 ] - [ -0.0000028100000000, -0.0000016200000000, 0.0005169800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000367400000000 ] - [ 0.0000000000000000, 0.0000030200000000, 0.0000384200000000 ] - [ -0.0000026200000000, -0.0000015100000000, 0.0000384200000000 ] - [ 0.0000026200000000, -0.0000015100000000, 0.0000384200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005918000000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0005896800000000 ] - [ -0.0000000400000000, -0.0000000200000000, 0.0005896800000000 ] - [ 0.0000000400000000, -0.0000000200000000, 0.0005896800000000 ] - [ 0.0000000000000000, 0.0000001700000000, 0.0003171200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003169300000000 ] - [ 0.0000001500000000, -0.0000000800000000, 0.0003171200000000 ] - [ -0.0000001500000000, -0.0000000800000000, 0.0003171200000000 ] - [ -0.0000705000000000, 0.0000407000000000, 0.0000027400000000 ] - [ 0.0000705000000000, 0.0000407000000000, 0.0000027400000000 ] - [ 0.0000000000000000, -0.0000814100000000, 0.0000027400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000440700000000 ] - [ 0.0000000000000000, -0.0000002600000000, -0.0008209600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008218900000000 ] - [ -0.0000002300000000, 0.0000001300000000, -0.0008209600000000 ] - [ 0.0000002300000000, 0.0000001300000000, -0.0008209600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006524200000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0006523700000000 ] - [ 0.0000000200000000, 0.0000000100000000, -0.0006523700000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0006523700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007499500000000 ] - [ 0.0000000000000000, 0.0000020400000000, -0.0007486500000000 ] - [ -0.0000017700000000, -0.0000010200000000, -0.0007486500000000 ] - [ 0.0000017700000000, -0.0000010200000000, -0.0007486500000000 ] - [ -0.0000020700000000, 0.0000012000000000, 0.0005247200000000 ] - [ 0.0000020700000000, 0.0000012000000000, 0.0005247200000000 ] - [ 0.0000000000000000, -0.0000023900000000, 0.0005247200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001875700000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0004889500000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0004889500000000 ] - [ 0.0000000000000000, 0.0000000300000000, 0.0004889500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004927600000000 ] - [ 0.0000000000000000, 0.0001080400000000, -0.0005318500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005053400000000 ] - [ 0.0000935600000000, -0.0000540200000000, -0.0005318500000000 ] - [ -0.0000935600000000, -0.0000540200000000, -0.0005318500000000 ] - [ -0.0000002600000000, 0.0000001500000000, 0.0002478400000000 ] - [ 0.0000002600000000, 0.0000001500000000, 0.0002478400000000 ] - [ 0.0000000000000000, -0.0000003000000000, 0.0002478400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002467600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007149200000000 ] - [ 0.0000000000000000, -0.0000121200000000, -0.0005968700000000 ] - [ 0.0000105000000000, 0.0000060600000000, -0.0005968700000000 ] - [ -0.0000105000000000, 0.0000060600000000, -0.0005968700000000 ] - [ -0.0000007900000000, 0.0000004500000000, 0.0002538500000000 ] - [ 0.0000007900000000, 0.0000004500000000, 0.0002538500000000 ] - [ 0.0000000000000000, -0.0000009100000000, 0.0002538500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002564000000000 ] - [ 0.0000010500000000, -0.0000006100000000, 0.0003193700000000 ] - [ -0.0000010500000000, -0.0000006100000000, 0.0003193700000000 ] - [ 0.0000000000000000, 0.0000012100000000, 0.0003193700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003287400000000 ] - [ 0.0061525900000000, -0.0035522000000000, 0.0095231800000000 ] - [ -0.0061525900000000, -0.0035522000000000, 0.0095231800000000 ] - [ 0.0000000000000000, 0.0071044000000000, 0.0095231800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034110900000000 ] - [ 0.0000000000000000, 0.0070023600000000, 0.0083608400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023176000000000 ] - [ 0.0060642200000000, -0.0035011800000000, 0.0083608400000000 ] - [ -0.0060642200000000, -0.0035011800000000, 0.0083608400000000 ] - [ 0.0000000000000000, -0.0000009500000000, -0.0002857000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002917800000000 ] - [ -0.0000008300000000, 0.0000004800000000, -0.0002857000000000 ] - [ 0.0000008300000000, 0.0000004800000000, -0.0002857000000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000714500000000, -0.0005890800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004494600000000 ] - [ 0.0000618800000000, -0.0000357200000000, -0.0005890800000000 ] - [ -0.0000618800000000, -0.0000357200000000, -0.0005890800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0332252900000000 ] - [ 0.0000000000000000, -0.0047188700000000, 0.0096424600000000 ] - [ 0.0040866600000000, 0.0023594300000000, 0.0096424600000000 ] - [ -0.0040866600000000, 0.0023594300000000, 0.0096424600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005933200000000 ] - [ 0.0000000000000000, -0.0001928800000000, -0.0008073500000000 ] - [ 0.0001670400000000, 0.0000964400000000, -0.0008073500000000 ] - [ -0.0001670400000000, 0.0000964400000000, -0.0008073500000000 ] - [ 0.0000000000000000, -0.0000033000000000, -0.0001944100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001972500000000 ] - [ -0.0000028600000000, 0.0000016500000000, -0.0001944100000000 ] - [ 0.0000028600000000, 0.0000016500000000, -0.0001944100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006822500000000 ] - [ 0.0000000000000000, -0.0000029600000000, -0.0006817300000000 ] - [ 0.0000025700000000, 0.0000014800000000, -0.0006817300000000 ] - [ -0.0000025700000000, 0.0000014800000000, -0.0006817300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001292700000000 ] - [ 0.0000000000000000, -0.0000000700000000, -0.0001254700000000 ] - [ 0.0000000600000000, 0.0000000400000000, -0.0001254700000000 ] - [ -0.0000000600000000, 0.0000000400000000, -0.0001254700000000 ] - [ 0.0000000000000000, -0.0000002600000000, -0.0003979600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003978400000000 ] - [ -0.0000002300000000, 0.0000001300000000, -0.0003979600000000 ] - [ 0.0000002300000000, 0.0000001300000000, -0.0003979600000000 ] - [ 0.0000699600000000, -0.0000403900000000, 0.0003484600000000 ] - [ -0.0000699600000000, -0.0000403900000000, 0.0003484600000000 ] - [ 0.0000000000000000, 0.0000807900000000, 0.0003484600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003965900000000 ] - [ 0.0000000000000000, 0.0000002300000000, -0.0004641700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004633600000000 ] - [ 0.0000002000000000, -0.0000001200000000, -0.0004641700000000 ] - [ -0.0000002000000000, -0.0000001200000000, -0.0004641700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002975500000000 ] - [ 0.0000000000000000, -0.0000000100000000, -0.0002978700000000 ] - [ 0.0000000100000000, 0.0000000000000000, -0.0002978700000000 ] - [ -0.0000000100000000, 0.0000000000000000, -0.0002978700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003896600000000 ] - [ 0.0000000000000000, -0.0000020400000000, -0.0003909800000000 ] - [ 0.0000017700000000, 0.0000010200000000, -0.0003909800000000 ] - [ -0.0000017700000000, 0.0000010200000000, -0.0003909800000000 ] - [ 0.0000018600000000, -0.0000010700000000, 0.0006034500000000 ] - [ -0.0000018600000000, -0.0000010700000000, 0.0006034500000000 ] - [ 0.0000000000000000, 0.0000021400000000, 0.0006034500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009359800000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0008537900000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0008537900000000 ] - [ 0.0000000000000000, 0.0000000300000000, 0.0008537900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008499800000000 ] - [ 0.0000000000000000, -0.0001074500000000, -0.0001594200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001846700000000 ] - [ -0.0000930500000000, 0.0000537200000000, -0.0001594200000000 ] - [ 0.0000930500000000, 0.0000537200000000, -0.0001594200000000 ] - [ 0.0000002500000000, -0.0000001500000000, 0.0006113300000000 ] - [ -0.0000002500000000, -0.0000001500000000, 0.0006113300000000 ] - [ 0.0000000000000000, 0.0000002900000000, 0.0006113300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006123800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003494600000000 ] - [ 0.0000000000000000, 0.0000126300000000, -0.0004638400000000 ] - [ -0.0000109400000000, -0.0000063200000000, -0.0004638400000000 ] - [ 0.0000109400000000, -0.0000063200000000, -0.0004638400000000 ] - [ 0.0000007800000000, -0.0000004500000000, 0.0006187600000000 ] - [ -0.0000007800000000, -0.0000004500000000, 0.0006187600000000 ] - [ 0.0000000000000000, 0.0000009000000000, 0.0006187600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006162900000000 ] - [ -0.0000010400000000, 0.0000006000000000, 0.0006866500000000 ] - [ 0.0000010400000000, 0.0000006000000000, 0.0006866500000000 ] - [ 0.0000000000000000, -0.0000012000000000, 0.0006866500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006773100000000 ] - [ -0.0059551500000000, 0.0034382100000000, -0.0083906300000000 ] - [ 0.0059551500000000, 0.0034382100000000, -0.0083906300000000 ] - [ 0.0000000000000000, -0.0068764100000000, -0.0083906300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023705200000000 ] - [ 0.0000000000000000, -0.0072308500000000, -0.0096032100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034676900000000 ] - [ -0.0062621000000000, 0.0036154300000000, -0.0096032100000000 ] - [ 0.0062621000000000, 0.0036154300000000, -0.0096032100000000 ] - [ 0.0000000000000000, 0.0000009800000000, 0.0000640000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000700700000000 ] - [ 0.0000008500000000, -0.0000004900000000, 0.0000640000000000 ] - [ -0.0000008500000000, -0.0000004900000000, 0.0000640000000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000053300000000, 0.0000000000000000, -0.0001852800000000 ] - [ 0.0000028800000000, 0.0000000100000000, -0.0001852400000000 ] - [ -0.0000011500000000, -0.0000023900000000, -0.0001852600000000 ] - [ -0.0000012200000000, 0.0000023600000000, -0.0001853100000000 ] - [ -0.0000834000000000, 0.0000001900000000, 0.0004785200000000 ] - [ 0.0000838300000000, -0.0000006200000000, 0.0004775600000000 ] - [ 0.0000478200000000, -0.0000212100000000, 0.0003100300000000 ] - [ 0.0000463400000000, 0.0000212200000000, 0.0006463100000000 ] - [ -0.0337211800000000, -0.0000002200000000, -0.0003638000000000 ] - [ 0.0114425300000000, 0.0000009100000000, -0.0003829200000000 ] - [ 0.0003821200000000, -0.0063858300000000, -0.0044641800000000 ] - [ 0.0003817700000000, 0.0063847800000000, 0.0036994700000000 ] - [ -0.0002777500000000, -0.0000005000000000, 0.0001616500000000 ] - [ 0.0002576700000000, 0.0000004800000000, 0.0001609400000000 ] - [ 0.0000247700000000, -0.0001753200000000, 0.0002242300000000 ] - [ 0.0000264500000000, 0.0001750000000000, 0.0000981100000000 ] - [ 0.0000004600000000, -0.0000000400000000, -0.0003220700000000 ] - [ -0.0000009200000000, -0.0000000700000000, -0.0003220300000000 ] - [ -0.0000007200000000, 0.0000000800000000, -0.0003220400000000 ] - [ -0.0000008000000000, -0.0000000800000000, -0.0003220500000000 ] - [ 0.0000003200000000, -0.0000001200000000, 0.0002322300000000 ] - [ -0.0000010900000000, -0.0000000700000000, 0.0002323300000000 ] - [ -0.0000008500000000, 0.0000001000000000, 0.0002324500000000 ] - [ -0.0000007400000000, -0.0000002500000000, 0.0002321900000000 ] - [ -0.0000052300000000, 0.0000000800000000, -0.0000402200000000 ] - [ 0.0000028600000000, 0.0000000500000000, -0.0000402200000000 ] - [ -0.0000011300000000, -0.0000023400000000, -0.0000356900000000 ] - [ -0.0000011500000000, 0.0000023600000000, -0.0000448200000000 ] - [ -0.0000008400000000, 0.0000009100000000, 0.0001734000000000 ] - [ -0.0000008500000000, -0.0000006000000000, 0.0001786000000000 ] - [ 0.0000004700000000, 0.0000001400000000, 0.0001760400000000 ] - [ -0.0000003800000000, 0.0000001500000000, 0.0001760900000000 ] - [ -0.0000009000000000, 0.0000000700000000, -0.0006421800000000 ] - [ -0.0000009400000000, 0.0000000700000000, -0.0006422200000000 ] - [ -0.0000007300000000, -0.0000000400000000, -0.0006431200000000 ] - [ -0.0000007500000000, 0.0000001400000000, -0.0006413500000000 ] - [ 0.0000035300000000, 0.0000000000000000, -0.0004754300000000 ] - [ -0.0000037200000000, -0.0000000300000000, -0.0004754500000000 ] - [ -0.0000005900000000, 0.0000018000000000, -0.0004758000000000 ] - [ -0.0000006300000000, -0.0000017800000000, -0.0004752200000000 ] - [ 0.0000044600000000, -0.0000001100000000, -0.0005692400000000 ] - [ 0.0000063900000000, -0.0000004000000000, -0.0005697200000000 ] - [ -0.0000213300000000, -0.0000163400000000, -0.0004103200000000 ] - [ -0.0000218600000000, 0.0000159900000000, -0.0007284000000000 ] - [ 0.0059499300000000, -0.0033253400000000, 0.0086121000000000 ] - [ 0.0057004100000000, 0.0031378700000000, -0.0072069600000000 ] - [ 0.0002288500000000, -0.0000261400000000, 0.0005410400000000 ] - [ -0.0009384900000000, -0.0000031800000000, 0.0005651400000000 ] - [ -0.0000003000000000, -0.0000001300000000, 0.0006714900000000 ] - [ -0.0000002500000000, -0.0000001400000000, 0.0006733700000000 ] - [ -0.0000002700000000, -0.0000001400000000, 0.0006725100000000 ] - [ -0.0000006400000000, -0.0000001100000000, 0.0006724700000000 ] - [ 0.0002306000000000, 0.0000263800000000, -0.0003227000000000 ] - [ -0.0009378300000000, 0.0000033700000000, -0.0003467200000000 ] - [ 0.0057173800000000, -0.0031464100000000, 0.0074345400000000 ] - [ 0.0059671100000000, 0.0033344800000000, -0.0084031700000000 ] - [ -0.0000004400000000, -0.0000008500000000, 0.0004355200000000 ] - [ -0.0000004100000000, 0.0000010700000000, 0.0004254400000000 ] - [ -0.0000020600000000, 0.0000001500000000, 0.0004304400000000 ] - [ -0.0000015000000000, 0.0000001300000000, 0.0004304000000000 ] - [ -0.0000026100000000, -0.0000001000000000, -0.0005310100000000 ] - [ 0.0000008100000000, -0.0000000700000000, -0.0005310000000000 ] - [ -0.0000008900000000, -0.0000011000000000, -0.0005357200000000 ] - [ -0.0000008900000000, 0.0000008500000000, -0.0005261900000000 ] - [ -0.0000002000000000, -0.0000001400000000, 0.0004361300000000 ] - [ -0.0000002000000000, -0.0000000900000000, 0.0004371800000000 ] - [ -0.0000002200000000, -0.0000001400000000, 0.0004366000000000 ] - [ -0.0000009600000000, -0.0000001500000000, 0.0004366200000000 ] - [ 0.0000030400000000, -0.0000302400000000, 0.0005393600000000 ] - [ 0.0000031500000000, 0.0000307400000000, 0.0004679200000000 ] - [ -0.0000497400000000, -0.0000000100000000, 0.0005044400000000 ] - [ -0.0001479700000000, 0.0000001400000000, 0.0005026800000000 ] - [ -0.0000125800000000, 0.0000893600000000, 0.0005832500000000 ] - [ -0.0000120300000000, -0.0000896600000000, 0.0004609900000000 ] - [ 0.0001427300000000, -0.0000003100000000, 0.0005222200000000 ] - [ -0.0001124300000000, 0.0000000700000000, 0.0005220600000000 ] - [ -0.0000259900000000, 0.0000002600000000, -0.0005775400000000 ] - [ -0.0002384300000000, 0.0000002700000000, -0.0005759200000000 ] - [ -0.0000060300000000, -0.0000115700000000, -0.0005310300000000 ] - [ -0.0000060600000000, 0.0000114500000000, -0.0006225600000000 ] - [ -0.0000005300000000, 0.0000002100000000, -0.0001110200000000 ] - [ -0.0000014000000000, 0.0000001900000000, -0.0001109200000000 ] - [ -0.0000005600000000, 0.0000002400000000, -0.0001112500000000 ] - [ -0.0000005600000000, 0.0000002200000000, -0.0001107800000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000053100000000, 0.0001748500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001706500000000 ] - [ -0.0000046000000000, 0.0000026500000000, 0.0001748500000000 ] - [ 0.0000046000000000, 0.0000026500000000, 0.0001748500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006939800000000 ] - [ 0.0000000000000000, 0.0001939600000000, 0.0009058800000000 ] - [ -0.0001679700000000, -0.0000969800000000, 0.0009058800000000 ] - [ 0.0001679700000000, -0.0000969800000000, 0.0009058800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0331707100000000 ] - [ 0.0000000000000000, 0.0047138600000000, -0.0095544200000000 ] - [ -0.0040823200000000, -0.0023569300000000, -0.0095544200000000 ] - [ 0.0040823200000000, -0.0023569300000000, -0.0095544200000000 ] - [ 0.0000000000000000, -0.0002753900000000, 0.0005692700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004273700000000 ] - [ -0.0002384900000000, 0.0001376900000000, 0.0005692700000000 ] - [ 0.0002384900000000, 0.0001376900000000, 0.0005692700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000397300000000 ] - [ 0.0000000000000000, 0.0000001300000000, 0.0000421900000000 ] - [ -0.0000001100000000, -0.0000000600000000, 0.0000421900000000 ] - [ 0.0000001100000000, -0.0000000600000000, 0.0000421900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005911000000000 ] - [ 0.0000000000000000, -0.0000001600000000, 0.0005938500000000 ] - [ 0.0000001400000000, 0.0000000800000000, 0.0005938500000000 ] - [ -0.0000001400000000, 0.0000000800000000, 0.0005938500000000 ] - [ 0.0000000000000000, -0.0000000900000000, 0.0003229300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003187000000000 ] - [ -0.0000000800000000, 0.0000000400000000, 0.0003229300000000 ] - [ 0.0000000800000000, 0.0000000400000000, 0.0003229300000000 ] - [ -0.0000015000000000, 0.0000008700000000, -0.0000052500000000 ] - [ 0.0000015000000000, 0.0000008700000000, -0.0000052500000000 ] - [ 0.0000000000000000, -0.0000017400000000, -0.0000052500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000010100000000 ] - [ 0.0000000000000000, -0.0000010300000000, -0.0008202000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008177400000000 ] - [ -0.0000008900000000, 0.0000005200000000, -0.0008202000000000 ] - [ 0.0000008900000000, 0.0000005200000000, -0.0008202000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006537700000000 ] - [ 0.0000000000000000, -0.0000018300000000, -0.0006508000000000 ] - [ 0.0000015900000000, 0.0000009200000000, -0.0006508000000000 ] - [ -0.0000015900000000, 0.0000009200000000, -0.0006508000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006275100000000 ] - [ 0.0000000000000000, -0.0000574000000000, -0.0007933000000000 ] - [ 0.0000497100000000, 0.0000287000000000, -0.0007933000000000 ] - [ -0.0000497100000000, 0.0000287000000000, -0.0007933000000000 ] - [ 0.0062341000000000, -0.0035992600000000, 0.0095808900000000 ] - [ -0.0062341000000000, -0.0035992600000000, 0.0095808900000000 ] - [ 0.0000000000000000, 0.0071985200000000, 0.0095808900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034770100000000 ] - [ -0.0000007100000000, 0.0000004100000000, 0.0004906500000000 ] - [ 0.0000007100000000, 0.0000004100000000, 0.0004906500000000 ] - [ 0.0000000000000000, -0.0000008200000000, 0.0004906500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004933100000000 ] - [ 0.0000000000000000, 0.0069876700000000, 0.0085870700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025795600000000 ] - [ 0.0060515000000000, -0.0034938300000000, 0.0085870700000000 ] - [ -0.0060515000000000, -0.0034938300000000, 0.0085870700000000 ] - [ -0.0000011800000000, 0.0000006800000000, 0.0002502400000000 ] - [ 0.0000011800000000, 0.0000006800000000, 0.0002502400000000 ] - [ 0.0000000000000000, -0.0000013600000000, 0.0002502400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002499100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007160600000000 ] - [ 0.0000000000000000, 0.0000007800000000, -0.0007047000000000 ] - [ -0.0000006800000000, -0.0000003900000000, -0.0007047000000000 ] - [ 0.0000006800000000, -0.0000003900000000, -0.0007047000000000 ] - [ -0.0000002800000000, 0.0000001600000000, 0.0002558400000000 ] - [ 0.0000002800000000, 0.0000001600000000, 0.0002558400000000 ] - [ 0.0000000000000000, -0.0000003200000000, 0.0002558400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002552600000000 ] - [ -0.0000134100000000, 0.0000077400000000, 0.0004703600000000 ] - [ 0.0000134100000000, 0.0000077400000000, 0.0004703600000000 ] - [ 0.0000000000000000, -0.0000154800000000, 0.0004703600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001226400000000 ] - [ 0.0000936300000000, -0.0000540600000000, 0.0003320800000000 ] - [ -0.0000936300000000, -0.0000540600000000, 0.0003320800000000 ] - [ 0.0000000000000000, 0.0001081100000000, 0.0003320800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003580100000000 ] - [ 0.0000000000000000, -0.0000024600000000, -0.0006125200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009476500000000 ] - [ -0.0000021300000000, 0.0000012300000000, -0.0006125200000000 ] - [ 0.0000021300000000, 0.0000012300000000, -0.0006125200000000 ] - [ 0.0000000000000000, -0.0000002600000000, -0.0002866100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002876500000000 ] - [ -0.0000002200000000, 0.0000001300000000, -0.0002866100000000 ] - [ 0.0000002200000000, 0.0000001300000000, -0.0002866100000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000053900000000, -0.0005471500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005429000000000 ] - [ 0.0000046600000000, -0.0000026900000000, -0.0005471500000000 ] - [ -0.0000046600000000, -0.0000026900000000, -0.0005471500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002709900000000 ] - [ 0.0000000000000000, -0.0001963500000000, 0.0000528000000000 ] - [ 0.0001700400000000, 0.0000981700000000, 0.0000528000000000 ] - [ -0.0001700400000000, 0.0000981700000000, 0.0000528000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0323329200000000 ] - [ 0.0000000000000000, -0.0047138700000000, 0.0087900400000000 ] - [ 0.0040823300000000, 0.0023569400000000, 0.0087900400000000 ] - [ -0.0040823300000000, 0.0023569400000000, 0.0087900400000000 ] - [ 0.0000000000000000, 0.0002734400000000, -0.0002445500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001048600000000 ] - [ 0.0002368000000000, -0.0001367200000000, -0.0002445500000000 ] - [ -0.0002368000000000, -0.0001367200000000, -0.0002445500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006832100000000 ] - [ 0.0000000000000000, -0.0000001200000000, -0.0006834300000000 ] - [ 0.0000001000000000, 0.0000000600000000, -0.0006834300000000 ] - [ -0.0000001000000000, 0.0000000600000000, -0.0006834300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001274600000000 ] - [ 0.0000000000000000, 0.0000001300000000, -0.0001281400000000 ] - [ -0.0000001100000000, -0.0000000700000000, -0.0001281400000000 ] - [ 0.0000001100000000, -0.0000000700000000, -0.0001281400000000 ] - [ 0.0000000000000000, 0.0000001000000000, -0.0004021800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003979800000000 ] - [ 0.0000000800000000, -0.0000000500000000, -0.0004021800000000 ] - [ -0.0000000800000000, -0.0000000500000000, -0.0004021800000000 ] - [ 0.0000014900000000, -0.0000008600000000, 0.0003566600000000 ] - [ -0.0000014900000000, -0.0000008600000000, 0.0003566600000000 ] - [ 0.0000000000000000, 0.0000017200000000, 0.0003566600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003525000000000 ] - [ 0.0000000000000000, 0.0000010100000000, -0.0004604900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004629700000000 ] - [ 0.0000008800000000, -0.0000005100000000, -0.0004604900000000 ] - [ -0.0000008800000000, -0.0000005100000000, -0.0004604900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002926300000000 ] - [ 0.0000000000000000, 0.0000018100000000, -0.0002957000000000 ] - [ -0.0000015700000000, -0.0000009000000000, -0.0002957000000000 ] - [ 0.0000015700000000, -0.0000009000000000, -0.0002957000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005078000000000 ] - [ 0.0000000000000000, 0.0000565500000000, -0.0003421000000000 ] - [ -0.0000489700000000, -0.0000282800000000, -0.0003421000000000 ] - [ 0.0000489700000000, -0.0000282800000000, -0.0003421000000000 ] - [ -0.0060368200000000, 0.0034853600000000, -0.0083637200000000 ] - [ 0.0060368200000000, 0.0034853600000000, -0.0083637200000000 ] - [ 0.0000000000000000, -0.0069707200000000, -0.0083637200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023522700000000 ] - [ 0.0000007600000000, -0.0000004400000000, 0.0008522100000000 ] - [ -0.0000007600000000, -0.0000004400000000, 0.0008522100000000 ] - [ 0.0000000000000000, 0.0000008700000000, 0.0008522100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008496200000000 ] - [ 0.0000000000000000, -0.0072159500000000, -0.0093637300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032640200000000 ] - [ -0.0062492000000000, 0.0036079800000000, -0.0093637300000000 ] - [ 0.0062492000000000, 0.0036079800000000, -0.0093637300000000 ] - [ 0.0000011700000000, -0.0000006700000000, 0.0006093700000000 ] - [ -0.0000011700000000, -0.0000006700000000, 0.0006093700000000 ] - [ 0.0000000000000000, 0.0000013500000000, 0.0006093700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006097800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003418000000000 ] - [ 0.0000000000000000, -0.0000007800000000, -0.0003529300000000 ] - [ 0.0000006700000000, 0.0000003900000000, -0.0003529300000000 ] - [ -0.0000006700000000, 0.0000003900000000, -0.0003529300000000 ] - [ 0.0000002700000000, -0.0000001600000000, 0.0006161800000000 ] - [ -0.0000002700000000, -0.0000001600000000, 0.0006161800000000 ] - [ 0.0000000000000000, 0.0000003100000000, 0.0006161800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006167700000000 ] - [ 0.0000131200000000, -0.0000075800000000, 0.0005363300000000 ] - [ -0.0000131200000000, -0.0000075800000000, 0.0005363300000000 ] - [ 0.0000000000000000, 0.0000151600000000, 0.0005363300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008794600000000 ] - [ -0.0000941600000000, 0.0000543600000000, 0.0007107400000000 ] - [ 0.0000941600000000, 0.0000543600000000, 0.0007107400000000 ] - [ 0.0000000000000000, -0.0001087200000000, 0.0007107400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006835800000000 ] - [ 0.0000000000000000, 0.0000028000000000, -0.0005384500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001987100000000 ] - [ 0.0000024200000000, -0.0000014000000000, -0.0005384500000000 ] - [ -0.0000024200000000, -0.0000014000000000, -0.0005384500000000 ] - [ 0.0000000000000000, 0.0000002900000000, 0.0000686600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000697400000000 ] - [ 0.0000002500000000, -0.0000001400000000, 0.0000686600000000 ] - [ -0.0000002500000000, -0.0000001400000000, 0.0000686600000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000009700000000, -0.0000000300000000, -0.0001849800000000 ] - [ -0.0000008200000000, 0.0000000100000000, -0.0001849900000000 ] - [ -0.0000004500000000, 0.0000001700000000, -0.0001852100000000 ] - [ -0.0000004600000000, -0.0000002000000000, -0.0001848400000000 ] - [ 0.0000082700000000, -0.0000001600000000, 0.0004782200000000 ] - [ -0.0000098700000000, -0.0000001500000000, 0.0004782200000000 ] - [ -0.0000008900000000, 0.0000052800000000, 0.0004810400000000 ] - [ -0.0000008800000000, -0.0000053300000000, 0.0004753200000000 ] - [ -0.0002773200000000, 0.0000001600000000, -0.0003823600000000 ] - [ 0.0002581400000000, -0.0000001000000000, -0.0003821800000000 ] - [ 0.0000262600000000, -0.0001751100000000, -0.0006196700000000 ] - [ 0.0000258600000000, 0.0001752100000000, -0.0001444200000000 ] - [ -0.0337208000000000, 0.0000010100000000, 0.0001639900000000 ] - [ 0.0114420200000000, 0.0000008000000000, 0.0001609700000000 ] - [ 0.0003802300000000, -0.0063865800000000, 0.0042481100000000 ] - [ 0.0003800600000000, 0.0063854700000000, -0.0039249400000000 ] - [ -0.0000019800000000, -0.0000000600000000, -0.0003218300000000 ] - [ -0.0000008200000000, -0.0000000800000000, -0.0003218500000000 ] - [ -0.0000007000000000, -0.0000007200000000, -0.0003221400000000 ] - [ -0.0000007700000000, 0.0000007300000000, -0.0003216100000000 ] - [ 0.0000083800000000, -0.0000001400000000, 0.0002325200000000 ] - [ -0.0000100200000000, -0.0000000900000000, 0.0002325600000000 ] - [ -0.0000009600000000, 0.0000052700000000, 0.0002364300000000 ] - [ -0.0000008300000000, -0.0000054000000000, 0.0002286300000000 ] - [ -0.0000837000000000, 0.0000004700000000, -0.0000405900000000 ] - [ 0.0000839400000000, -0.0000004300000000, -0.0000395800000000 ] - [ 0.0000481200000000, -0.0000210800000000, 0.0001287800000000 ] - [ 0.0000466600000000, 0.0000211500000000, -0.0002092800000000 ] - [ -0.0000003700000000, 0.0000002400000000, 0.0001747700000000 ] - [ -0.0000003400000000, 0.0000000600000000, 0.0001766600000000 ] - [ -0.0000005400000000, 0.0000001300000000, 0.0001757800000000 ] - [ -0.0000005100000000, 0.0000001500000000, 0.0001758200000000 ] - [ -0.0000038100000000, 0.0000000700000000, -0.0006415100000000 ] - [ 0.0000029600000000, 0.0000000600000000, -0.0006415700000000 ] - [ -0.0000008800000000, -0.0000021800000000, -0.0006393700000000 ] - [ -0.0000008900000000, 0.0000022700000000, -0.0006438200000000 ] - [ 0.0001408700000000, -0.0000002000000000, -0.0004748800000000 ] - [ -0.0001106500000000, 0.0000001800000000, -0.0004746400000000 ] - [ -0.0000125600000000, 0.0000883900000000, -0.0005361700000000 ] - [ -0.0000119700000000, -0.0000884100000000, -0.0004136100000000 ] - [ 0.0002268600000000, -0.0000263000000000, -0.0005453600000000 ] - [ -0.0009389400000000, -0.0000032900000000, -0.0005694900000000 ] - [ 0.0059676400000000, -0.0033369100000000, -0.0086510700000000 ] - [ 0.0057175000000000, 0.0031486800000000, 0.0072364400000000 ] - [ -0.0000038500000000, 0.0000978100000000, 0.0005613400000000 ] - [ -0.0000040700000000, -0.0000981300000000, 0.0005667500000000 ] - [ 0.0002027200000000, -0.0000000700000000, 0.0005642100000000 ] - [ -0.0001736600000000, -0.0000001500000000, 0.0005639100000000 ] - [ 0.0000001800000000, -0.0000002000000000, 0.0006718800000000 ] - [ 0.0000002100000000, -0.0000000800000000, 0.0006723400000000 ] - [ -0.0000007300000000, -0.0000001400000000, 0.0006721600000000 ] - [ 0.0000002900000000, -0.0000001200000000, 0.0006721600000000 ] - [ -0.0000289900000000, 0.0000003700000000, -0.0003458200000000 ] - [ -0.0000824900000000, 0.0000002400000000, -0.0003455100000000 ] - [ 0.0000190600000000, 0.0000585200000000, -0.0000932000000000 ] - [ 0.0000188400000000, -0.0000586100000000, -0.0005983800000000 ] - [ -0.0000056400000000, 0.0000109400000000, 0.0004765900000000 ] - [ -0.0000055800000000, -0.0000110900000000, 0.0003845100000000 ] - [ -0.0002380300000000, 0.0000003000000000, 0.0004295800000000 ] - [ -0.0000247000000000, 0.0000003100000000, 0.0004312600000000 ] - [ 0.0000003000000000, -0.0000000900000000, -0.0005303900000000 ] - [ -0.0000004700000000, -0.0000000800000000, -0.0005303600000000 ] - [ 0.0000003200000000, -0.0000001300000000, -0.0005298500000000 ] - [ 0.0000003200000000, -0.0000001200000000, -0.0005307500000000 ] - [ 0.0000006700000000, -0.0000007400000000, 0.0004260700000000 ] - [ 0.0000006600000000, 0.0000005300000000, 0.0004467900000000 ] - [ -0.0000026000000000, -0.0000001500000000, 0.0004363700000000 ] - [ 0.0000017800000000, -0.0000001700000000, 0.0004363700000000 ] - [ 0.0058665300000000, 0.0032860900000000, 0.0085550600000000 ] - [ 0.0056167300000000, -0.0030981100000000, -0.0072723000000000 ] - [ -0.0009383900000000, 0.0000032800000000, 0.0005039500000000 ] - [ 0.0002137100000000, 0.0000260900000000, 0.0004798700000000 ] - [ 0.0000000000000000, -0.0000020500000000, 0.0005244400000000 ] - [ -0.0000000200000000, 0.0000017700000000, 0.0005193000000000 ] - [ -0.0000016900000000, -0.0000001200000000, 0.0005219000000000 ] - [ 0.0000033000000000, -0.0000001300000000, 0.0005220000000000 ] - [ 0.0000012700000000, 0.0000000500000000, -0.0005757900000000 ] - [ -0.0000025500000000, 0.0000001000000000, -0.0005758600000000 ] - [ -0.0000009200000000, 0.0000010700000000, -0.0005867600000000 ] - [ -0.0000008900000000, -0.0000008200000000, -0.0005649100000000 ] - [ -0.0000001300000000, 0.0000002000000000, -0.0001103200000000 ] - [ -0.0000011800000000, 0.0000001900000000, -0.0001102700000000 ] - [ -0.0000011600000000, 0.0000002500000000, -0.0001104100000000 ] - [ -0.0000011600000000, 0.0000002100000000, -0.0001102200000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0001693700000000 ] - [ 0.0000000000000000, 0.0000001200000000, 0.0001718600000000 ] - [ -0.0000001000000000, -0.0000000600000000, 0.0001718600000000 ] - [ 0.0000001000000000, -0.0000000600000000, 0.0001718600000000 ] - [ 0.0000000000000000, -0.0000044700000000, 0.0008353200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008381000000000 ] - [ -0.0000038700000000, 0.0000022300000000, 0.0008353200000000 ] - [ 0.0000038700000000, 0.0000022300000000, 0.0008353200000000 ] - [ 0.0000000000000000, 0.0000740000000000, 0.0000234300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001179200000000 ] - [ 0.0000640900000000, -0.0000370000000000, 0.0000234300000000 ] - [ -0.0000640900000000, -0.0000370000000000, 0.0000234300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0325764000000000 ] - [ 0.0000000000000000, -0.0047190000000000, -0.0090036900000000 ] - [ 0.0040867700000000, 0.0023595000000000, -0.0090036900000000 ] - [ -0.0040867700000000, 0.0023595000000000, -0.0090036900000000 ] - [ 0.0000000000000000, -0.0000001800000000, 0.0000371000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000369300000000 ] - [ -0.0000001600000000, 0.0000000900000000, 0.0000371000000000 ] - [ 0.0000001600000000, 0.0000000900000000, 0.0000371000000000 ] - [ 0.0000000000000000, -0.0000032500000000, 0.0005887000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005914900000000 ] - [ -0.0000028200000000, 0.0000016300000000, 0.0005887000000000 ] - [ 0.0000028200000000, 0.0000016300000000, 0.0005887000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001797000000000 ] - [ 0.0000000000000000, -0.0001953600000000, 0.0003857800000000 ] - [ 0.0001691800000000, 0.0000976800000000, 0.0003857800000000 ] - [ -0.0001691800000000, 0.0000976800000000, 0.0003857800000000 ] - [ -0.0000008600000000, -0.0000005000000000, -0.0000055800000000 ] - [ 0.0000008600000000, -0.0000005000000000, -0.0000055800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000030600000000 ] - [ 0.0000000000000000, 0.0000009900000000, -0.0000055800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008219400000000 ] - [ 0.0000000000000000, -0.0000020500000000, -0.0008209200000000 ] - [ 0.0000017700000000, 0.0000010200000000, -0.0008209200000000 ] - [ -0.0000017700000000, 0.0000010200000000, -0.0008209200000000 ] - [ 0.0000000000000000, -0.0001080500000000, -0.0006606600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006341600000000 ] - [ -0.0000935700000000, 0.0000540200000000, -0.0006606600000000 ] - [ 0.0000935700000000, 0.0000540200000000, -0.0006606600000000 ] - [ 0.0000000000000000, -0.0070017900000000, 0.0083685900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023252200000000 ] - [ -0.0060637300000000, 0.0035009000000000, 0.0083685900000000 ] - [ 0.0060637300000000, 0.0035009000000000, 0.0083685900000000 ] - [ -0.0000700600000000, -0.0000404500000000, 0.0003917500000000 ] - [ 0.0000700600000000, -0.0000404500000000, 0.0003917500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003446400000000 ] - [ 0.0000000000000000, 0.0000809000000000, 0.0003917500000000 ] - [ -0.0000002400000000, -0.0000001400000000, 0.0004904700000000 ] - [ 0.0000002400000000, -0.0000001400000000, 0.0004904700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004894000000000 ] - [ 0.0000000000000000, 0.0000002800000000, 0.0004904700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005269800000000 ] - [ 0.0000000000000000, 0.0000123200000000, -0.0004108600000000 ] - [ -0.0000106700000000, -0.0000061600000000, -0.0004108600000000 ] - [ 0.0000106700000000, -0.0000061600000000, -0.0004108600000000 ] - [ -0.0000017900000000, -0.0000010300000000, 0.0003915100000000 ] - [ 0.0000017900000000, -0.0000010300000000, 0.0003915100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000544900000000 ] - [ 0.0000000000000000, 0.0000020700000000, 0.0003915100000000 ] - [ 0.0000000000000000, 0.0000002100000000, -0.0007071500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007077400000000 ] - [ 0.0000001800000000, -0.0000001100000000, -0.0007071500000000 ] - [ -0.0000001800000000, -0.0000001100000000, -0.0007071500000000 ] - [ 0.0000010600000000, 0.0000006100000000, 0.0002540400000000 ] - [ -0.0000010600000000, 0.0000006100000000, 0.0002540400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002634200000000 ] - [ 0.0000000000000000, -0.0000012300000000, 0.0002540400000000 ] - [ 0.0061536200000000, 0.0035528000000000, 0.0095064300000000 ] - [ -0.0061536200000000, 0.0035528000000000, 0.0095064300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033936700000000 ] - [ 0.0000000000000000, -0.0071055900000000, 0.0095064300000000 ] - [ 0.0000012800000000, 0.0000007400000000, 0.0003414500000000 ] - [ -0.0000012800000000, 0.0000007400000000, 0.0003414500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003409300000000 ] - [ 0.0000000000000000, -0.0000014700000000, 0.0003414500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007494400000000 ] - [ 0.0000000000000000, 0.0000004700000000, -0.0007577400000000 ] - [ -0.0000004100000000, -0.0000002400000000, -0.0007577400000000 ] - [ 0.0000004100000000, -0.0000002400000000, -0.0007577400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002873400000000 ] - [ 0.0000000000000000, 0.0000000300000000, -0.0002873200000000 ] - [ -0.0000000200000000, -0.0000000100000000, -0.0002873200000000 ] - [ 0.0000000200000000, -0.0000000100000000, -0.0002873200000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0005411800000000 ] - [ 0.0000000000000000, -0.0000001000000000, -0.0005451200000000 ] - [ 0.0000000900000000, 0.0000000500000000, -0.0005451200000000 ] - [ -0.0000000900000000, 0.0000000500000000, -0.0005451200000000 ] - [ 0.0000000000000000, 0.0000044500000000, 0.0001229900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001202000000000 ] - [ 0.0000038600000000, -0.0000022300000000, 0.0001229900000000 ] - [ -0.0000038600000000, -0.0000022300000000, 0.0001229900000000 ] - [ 0.0000000000000000, -0.0000715700000000, -0.0007883800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006481100000000 ] - [ -0.0000619800000000, 0.0000357800000000, -0.0007883800000000 ] - [ 0.0000619800000000, 0.0000357800000000, -0.0007883800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0328916700000000 ] - [ 0.0000000000000000, 0.0047192600000000, 0.0093274000000000 ] - [ -0.0040870000000000, -0.0023596300000000, 0.0093274000000000 ] - [ 0.0040870000000000, -0.0023596300000000, 0.0093274000000000 ] - [ 0.0000000000000000, 0.0000001900000000, -0.0006789600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006788400000000 ] - [ 0.0000001600000000, -0.0000000900000000, -0.0006789600000000 ] - [ -0.0000001600000000, -0.0000000900000000, -0.0006789600000000 ] - [ 0.0000000000000000, 0.0000032600000000, -0.0001238500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001266400000000 ] - [ 0.0000028200000000, -0.0000016300000000, -0.0001238500000000 ] - [ -0.0000028200000000, -0.0000016300000000, -0.0001238500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002670700000000 ] - [ 0.0000000000000000, 0.0001929400000000, -0.0004653300000000 ] - [ -0.0001670900000000, -0.0000964700000000, -0.0004653300000000 ] - [ 0.0001670900000000, -0.0000964700000000, -0.0004653300000000 ] - [ 0.0000008300000000, 0.0000004800000000, 0.0003560400000000 ] - [ -0.0000008300000000, 0.0000004800000000, 0.0003560400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003535300000000 ] - [ 0.0000000000000000, -0.0000009600000000, 0.0003560400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004588600000000 ] - [ 0.0000000000000000, 0.0000020300000000, -0.0004599500000000 ] - [ -0.0000017600000000, -0.0000010100000000, -0.0004599500000000 ] - [ 0.0000017600000000, -0.0000010100000000, -0.0004599500000000 ] - [ 0.0000000000000000, 0.0001074000000000, -0.0002864100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003116500000000 ] - [ 0.0000930100000000, -0.0000537000000000, -0.0002864100000000 ] - [ -0.0000930100000000, -0.0000537000000000, -0.0002864100000000 ] - [ 0.0000000000000000, 0.0072301200000000, -0.0095936500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034579900000000 ] - [ 0.0062614700000000, -0.0036150600000000, -0.0095936500000000 ] - [ -0.0062614700000000, -0.0036150600000000, -0.0095936500000000 ] - [ 0.0000695700000000, 0.0000401600000000, 0.0007343500000000 ] - [ -0.0000695700000000, 0.0000401600000000, 0.0007343500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007827700000000 ] - [ 0.0000000000000000, -0.0000803300000000, 0.0007343500000000 ] - [ 0.0000002500000000, 0.0000001400000000, 0.0008511700000000 ] - [ -0.0000002500000000, 0.0000001400000000, 0.0008511700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008522400000000 ] - [ 0.0000000000000000, -0.0000002800000000, 0.0008511700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001626300000000 ] - [ 0.0000000000000000, -0.0000128300000000, -0.0002754900000000 ] - [ 0.0000111100000000, 0.0000064100000000, -0.0002754900000000 ] - [ -0.0000111100000000, 0.0000064100000000, -0.0002754900000000 ] - [ 0.0000015300000000, 0.0000008900000000, 0.0004682700000000 ] - [ -0.0000015300000000, 0.0000008900000000, 0.0004682700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008007200000000 ] - [ 0.0000000000000000, -0.0000017700000000, 0.0004682700000000 ] - [ 0.0000000000000000, -0.0000002400000000, -0.0003506800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003500800000000 ] - [ -0.0000002100000000, 0.0000001200000000, -0.0003506800000000 ] - [ 0.0000002100000000, 0.0000001200000000, -0.0003506800000000 ] - [ -0.0000010700000000, -0.0000006200000000, 0.0006167900000000 ] - [ 0.0000010700000000, -0.0000006200000000, 0.0006167900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006073800000000 ] - [ 0.0000000000000000, 0.0000012300000000, 0.0006167900000000 ] - [ -0.0059563700000000, -0.0034389100000000, -0.0084131600000000 ] - [ 0.0059563700000000, -0.0034389100000000, -0.0084131600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023927600000000 ] - [ 0.0000000000000000, 0.0068778300000000, -0.0084131600000000 ] - [ -0.0000012800000000, -0.0000007400000000, 0.0006998000000000 ] - [ 0.0000012800000000, -0.0000007400000000, 0.0006998000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007003200000000 ] - [ 0.0000000000000000, 0.0000014800000000, 0.0006998000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004005700000000 ] - [ 0.0000000000000000, -0.0000004600000000, -0.0003921300000000 ] - [ 0.0000004000000000, 0.0000002300000000, -0.0003921300000000 ] - [ -0.0000004000000000, 0.0000002300000000, -0.0003921300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000692900000000 ] - [ 0.0000000000000000, -0.0000000200000000, 0.0000690500000000 ] - [ 0.0000000200000000, 0.0000000100000000, 0.0000690500000000 ] - [ -0.0000000200000000, 0.0000000100000000, 0.0000690500000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002780500000000, -0.0000004700000000, -0.0001844400000000 ] - [ 0.0002578200000000, 0.0000005800000000, -0.0001851300000000 ] - [ 0.0000247700000000, -0.0001754400000000, -0.0001219100000000 ] - [ 0.0000264500000000, 0.0001751700000000, -0.0002479200000000 ] - [ -0.0000086900000000, -0.0000001900000000, 0.0004783900000000 ] - [ 0.0000084500000000, -0.0000001700000000, 0.0004783700000000 ] - [ 0.0000000200000000, -0.0000048700000000, 0.0004757000000000 ] - [ 0.0000000000000000, 0.0000048500000000, 0.0004809200000000 ] - [ 0.0000003800000000, 0.0000000400000000, -0.0003820200000000 ] - [ -0.0000008300000000, -0.0000000400000000, -0.0003820500000000 ] - [ -0.0000007200000000, 0.0000000200000000, -0.0003820600000000 ] - [ -0.0000008200000000, -0.0000000600000000, -0.0003819500000000 ] - [ -0.0000024400000000, -0.0000000500000000, 0.0001617100000000 ] - [ -0.0000012400000000, -0.0000001000000000, 0.0001617000000000 ] - [ -0.0000011600000000, -0.0000008000000000, 0.0001615700000000 ] - [ -0.0000011800000000, 0.0000006900000000, 0.0001617900000000 ] - [ -0.0337254500000000, 0.0000003000000000, -0.0003374700000000 ] - [ 0.0114425400000000, 0.0000008700000000, -0.0003221200000000 ] - [ 0.0003821000000000, -0.0063858400000000, -0.0044034100000000 ] - [ 0.0003817800000000, 0.0063847900000000, 0.0037602100000000 ] - [ -0.0000837600000000, 0.0000002500000000, 0.0002332700000000 ] - [ 0.0000836900000000, -0.0000005600000000, 0.0002322800000000 ] - [ 0.0000476500000000, -0.0000212700000000, 0.0000648500000000 ] - [ 0.0000462700000000, 0.0000211600000000, 0.0004009500000000 ] - [ -0.0000052500000000, 0.0000000700000000, -0.0000398400000000 ] - [ 0.0000028300000000, 0.0000000300000000, -0.0000398100000000 ] - [ -0.0000011700000000, -0.0000023200000000, -0.0000398400000000 ] - [ -0.0000012200000000, 0.0000023300000000, -0.0000398600000000 ] - [ 0.0000030400000000, -0.0000304800000000, 0.0002118100000000 ] - [ 0.0000031500000000, 0.0000310100000000, 0.0001408800000000 ] - [ -0.0000501500000000, -0.0000000100000000, 0.0001771800000000 ] - [ -0.0001470700000000, 0.0000001400000000, 0.0001754100000000 ] - [ -0.0000259600000000, 0.0000002500000000, -0.0006425800000000 ] - [ -0.0002381600000000, 0.0000002200000000, -0.0006409100000000 ] - [ -0.0000060400000000, -0.0000116300000000, -0.0005961400000000 ] - [ -0.0000061200000000, 0.0000113300000000, -0.0006875900000000 ] - [ -0.0000025400000000, -0.0000000200000000, -0.0004746400000000 ] - [ 0.0000007900000000, -0.0000000300000000, -0.0004747100000000 ] - [ -0.0000008700000000, -0.0000009700000000, -0.0004794000000000 ] - [ -0.0000008900000000, 0.0000009800000000, -0.0004701200000000 ] - [ 0.0000005700000000, -0.0000002300000000, -0.0005686900000000 ] - [ 0.0000004700000000, -0.0000002100000000, -0.0005679800000000 ] - [ -0.0000002900000000, -0.0000006600000000, -0.0005685000000000 ] - [ -0.0000002800000000, 0.0000002100000000, -0.0005681500000000 ] - [ -0.0000001900000000, -0.0000001100000000, 0.0005640900000000 ] - [ -0.0000001900000000, -0.0000001700000000, 0.0005645200000000 ] - [ -0.0000001400000000, -0.0000001300000000, 0.0005643300000000 ] - [ -0.0000010700000000, -0.0000001100000000, 0.0005643700000000 ] - [ 0.0059496800000000, -0.0033252000000000, 0.0087201100000000 ] - [ 0.0057001800000000, 0.0031377200000000, -0.0070987600000000 ] - [ 0.0002288400000000, -0.0000261600000000, 0.0006491900000000 ] - [ -0.0009384900000000, -0.0000032000000000, 0.0006732000000000 ] - [ -0.0000006000000000, 0.0000002700000000, -0.0003453000000000 ] - [ -0.0000010000000000, 0.0000002800000000, -0.0003452800000000 ] - [ -0.0000006400000000, 0.0000003000000000, -0.0003461300000000 ] - [ -0.0000006300000000, 0.0000002700000000, -0.0003443400000000 ] - [ -0.0000008700000000, 0.0000008400000000, 0.0004279600000000 ] - [ -0.0000008500000000, -0.0000006300000000, 0.0004330100000000 ] - [ 0.0000004500000000, 0.0000001500000000, 0.0004304500000000 ] - [ -0.0000003400000000, 0.0000001200000000, 0.0004304000000000 ] - [ 0.0000048000000000, 0.0000000200000000, -0.0005301600000000 ] - [ 0.0000059900000000, -0.0000002600000000, -0.0005305900000000 ] - [ -0.0000214600000000, -0.0000160900000000, -0.0003711300000000 ] - [ -0.0000220100000000, 0.0000159000000000, -0.0006892500000000 ] - [ -0.0000126300000000, 0.0000892900000000, 0.0004979300000000 ] - [ -0.0000120100000000, -0.0000895700000000, 0.0003755700000000 ] - [ 0.0001426000000000, -0.0000003400000000, 0.0004368000000000 ] - [ -0.0001123400000000, 0.0000000500000000, 0.0004365500000000 ] - [ -0.0000007400000000, 0.0000000500000000, 0.0005025100000000 ] - [ -0.0000007100000000, 0.0000002000000000, 0.0005042300000000 ] - [ -0.0000008700000000, 0.0000001100000000, 0.0005033500000000 ] - [ -0.0000009700000000, 0.0000001200000000, 0.0005034400000000 ] - [ 0.0000002400000000, -0.0000004100000000, 0.0005272400000000 ] - [ 0.0000002000000000, 0.0000001400000000, 0.0005171100000000 ] - [ -0.0000002700000000, -0.0000001300000000, 0.0005221900000000 ] - [ -0.0000018900000000, -0.0000001500000000, 0.0005223200000000 ] - [ 0.0000011300000000, 0.0000000600000000, -0.0005756600000000 ] - [ -0.0000011200000000, 0.0000001000000000, -0.0005757500000000 ] - [ -0.0000009300000000, 0.0000013000000000, -0.0005797100000000 ] - [ -0.0000008900000000, -0.0000010500000000, -0.0005717000000000 ] - [ 0.0002305900000000, 0.0000263000000000, -0.0000868800000000 ] - [ -0.0009380700000000, 0.0000032700000000, -0.0001108300000000 ] - [ 0.0057175200000000, -0.0031465600000000, 0.0076704900000000 ] - [ 0.0059672300000000, 0.0033345000000000, -0.0081676200000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0002755700000000, 0.0002200500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000782000000000 ] - [ -0.0002386500000000, 0.0001377900000000, 0.0002200500000000 ] - [ 0.0002386500000000, 0.0001377900000000, 0.0002200500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008390600000000 ] - [ 0.0000000000000000, 0.0000030300000000, 0.0008398100000000 ] - [ -0.0000026200000000, -0.0000015100000000, 0.0008398100000000 ] - [ 0.0000026200000000, -0.0000015100000000, 0.0008398100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000223500000000 ] - [ 0.0000000000000000, 0.0000000900000000, -0.0000203800000000 ] - [ -0.0000000700000000, -0.0000000400000000, -0.0000203800000000 ] - [ 0.0000000700000000, -0.0000000400000000, -0.0000203800000000 ] - [ 0.0000000000000000, -0.0000002200000000, 0.0005202200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005201000000000 ] - [ -0.0000001900000000, 0.0000001100000000, 0.0005202200000000 ] - [ 0.0000001900000000, 0.0000001100000000, 0.0005202200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0330489400000000 ] - [ 0.0000000000000000, 0.0047139300000000, -0.0094937300000000 ] - [ -0.0040823800000000, -0.0023569600000000, -0.0094937300000000 ] - [ 0.0040823800000000, -0.0023569600000000, -0.0094937300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004546800000000 ] - [ 0.0000000000000000, 0.0001938100000000, 0.0006582600000000 ] - [ -0.0001678400000000, -0.0000969000000000, 0.0006582600000000 ] - [ 0.0001678400000000, -0.0000969000000000, 0.0006582600000000 ] - [ 0.0000000000000000, -0.0000053300000000, 0.0003219700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003177700000000 ] - [ -0.0000046200000000, 0.0000026700000000, 0.0003219700000000 ] - [ 0.0000046200000000, 0.0000026700000000, 0.0003219700000000 ] - [ -0.0000137000000000, 0.0000079100000000, 0.0001421500000000 ] - [ 0.0000137000000000, 0.0000079100000000, 0.0001421500000000 ] - [ 0.0000000000000000, -0.0000158200000000, 0.0001421500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002051800000000 ] - [ 0.0000000000000000, -0.0000023200000000, -0.0006794500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010141600000000 ] - [ -0.0000020100000000, 0.0000011600000000, -0.0006794500000000 ] - [ 0.0000020100000000, 0.0000011600000000, -0.0006794500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006613500000000 ] - [ 0.0000000000000000, 0.0000007800000000, -0.0006501300000000 ] - [ -0.0000006700000000, -0.0000003900000000, -0.0006501300000000 ] - [ 0.0000006700000000, -0.0000003900000000, -0.0006501300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007496700000000 ] - [ 0.0000000000000000, -0.0000000400000000, -0.0007462900000000 ] - [ 0.0000000300000000, 0.0000000200000000, -0.0007462900000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0007462900000000 ] - [ -0.0000001600000000, 0.0000000900000000, 0.0003823000000000 ] - [ 0.0000001600000000, 0.0000000900000000, 0.0003823000000000 ] - [ 0.0000000000000000, -0.0000001900000000, 0.0003823000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003813500000000 ] - [ 0.0062337000000000, -0.0035990300000000, 0.0096878900000000 ] - [ -0.0062337000000000, -0.0035990300000000, 0.0096878900000000 ] - [ 0.0000000000000000, 0.0071980600000000, 0.0096878900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035837300000000 ] - [ 0.0000000000000000, -0.0000008300000000, -0.0005225900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005200300000000 ] - [ -0.0000007200000000, 0.0000004200000000, -0.0005225900000000 ] - [ 0.0000007200000000, 0.0000004200000000, -0.0005225900000000 ] - [ -0.0000014800000000, 0.0000008500000000, 0.0002479000000000 ] - [ 0.0000014800000000, 0.0000008500000000, 0.0002479000000000 ] - [ 0.0000000000000000, -0.0000017100000000, 0.0002479000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002521400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005873500000000 ] - [ 0.0000000000000000, -0.0000576700000000, -0.0007535900000000 ] - [ 0.0000499400000000, 0.0000288300000000, -0.0007535900000000 ] - [ -0.0000499400000000, 0.0000288300000000, -0.0007535900000000 ] - [ 0.0000935800000000, -0.0000540300000000, 0.0002460100000000 ] - [ -0.0000935800000000, -0.0000540300000000, 0.0002460100000000 ] - [ 0.0000000000000000, 0.0001080600000000, 0.0002460100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002719100000000 ] - [ -0.0000008800000000, 0.0000005100000000, 0.0003214400000000 ] - [ 0.0000008800000000, 0.0000005100000000, 0.0003214400000000 ] - [ 0.0000000000000000, -0.0000010100000000, 0.0003214400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003239400000000 ] - [ -0.0000006100000000, 0.0000003500000000, 0.0003412600000000 ] - [ 0.0000006100000000, 0.0000003500000000, 0.0003412600000000 ] - [ 0.0000000000000000, -0.0000007100000000, 0.0003412600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003409500000000 ] - [ 0.0000000000000000, -0.0000009100000000, -0.0007560400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007509600000000 ] - [ -0.0000007900000000, 0.0000004500000000, -0.0007560400000000 ] - [ 0.0000007900000000, 0.0000004500000000, -0.0007560400000000 ] - [ 0.0000000000000000, 0.0069879200000000, 0.0088206100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028131400000000 ] - [ 0.0060517100000000, -0.0034939600000000, 0.0088206100000000 ] - [ -0.0060517100000000, -0.0034939600000000, 0.0088206100000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0002736300000000, -0.0005934400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004538300000000 ] - [ 0.0002369700000000, -0.0001368200000000, -0.0005934400000000 ] - [ -0.0002369700000000, -0.0001368200000000, -0.0005934400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001181000000000 ] - [ 0.0000000000000000, -0.0000030100000000, 0.0001176100000000 ] - [ 0.0000026100000000, 0.0000015100000000, 0.0001176100000000 ] - [ -0.0000026100000000, 0.0000015100000000, 0.0001176100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007448700000000 ] - [ 0.0000000000000000, -0.0000001000000000, -0.0007455800000000 ] - [ 0.0000000900000000, 0.0000000500000000, -0.0007455800000000 ] - [ -0.0000000900000000, 0.0000000500000000, -0.0007455800000000 ] - [ 0.0000000000000000, 0.0000002100000000, -0.0001976600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001974800000000 ] - [ 0.0000001900000000, -0.0000001100000000, -0.0001976600000000 ] - [ -0.0000001900000000, -0.0000001100000000, -0.0001976600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0324574600000000 ] - [ 0.0000000000000000, -0.0047139300000000, 0.0088508500000000 ] - [ 0.0040823800000000, 0.0023569600000000, 0.0088508500000000 ] - [ -0.0040823800000000, 0.0023569600000000, 0.0088508500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000173800000000 ] - [ 0.0000000000000000, -0.0001962500000000, -0.0001945700000000 ] - [ 0.0001699600000000, 0.0000981300000000, -0.0001945700000000 ] - [ -0.0001699600000000, 0.0000981300000000, -0.0001945700000000 ] - [ 0.0000000000000000, 0.0000053600000000, -0.0004027800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003985400000000 ] - [ 0.0000046400000000, -0.0000026800000000, -0.0004027800000000 ] - [ -0.0000046400000000, -0.0000026800000000, -0.0004027800000000 ] - [ 0.0000133300000000, -0.0000077000000000, 0.0002092900000000 ] - [ -0.0000133300000000, -0.0000077000000000, 0.0002092900000000 ] - [ 0.0000000000000000, 0.0000153900000000, 0.0002092900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005520200000000 ] - [ 0.0000000000000000, 0.0000026500000000, -0.0006045200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002652000000000 ] - [ 0.0000023000000000, -0.0000013300000000, -0.0006045200000000 ] - [ -0.0000023000000000, -0.0000013300000000, -0.0006045200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002869800000000 ] - [ 0.0000000000000000, -0.0000007900000000, -0.0002980900000000 ] - [ 0.0000006800000000, 0.0000003900000000, -0.0002980900000000 ] - [ -0.0000006800000000, 0.0000003900000000, -0.0002980900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003873500000000 ] - [ 0.0000000000000000, 0.0000000400000000, -0.0003893600000000 ] - [ -0.0000000300000000, -0.0000000200000000, -0.0003893600000000 ] - [ 0.0000000300000000, -0.0000000200000000, -0.0003893600000000 ] - [ 0.0000001700000000, -0.0000001000000000, 0.0007437900000000 ] - [ -0.0000001700000000, -0.0000001000000000, 0.0007437900000000 ] - [ 0.0000000000000000, 0.0000002000000000, 0.0007437900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007448100000000 ] - [ -0.0060364200000000, 0.0034851300000000, -0.0082568200000000 ] - [ 0.0060364200000000, 0.0034851300000000, -0.0082568200000000 ] - [ 0.0000000000000000, -0.0069702500000000, -0.0082568200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022451600000000 ] - [ 0.0000000000000000, 0.0000008500000000, -0.0001664600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001690900000000 ] - [ 0.0000007400000000, -0.0000004300000000, -0.0001664600000000 ] - [ -0.0000007400000000, -0.0000004300000000, -0.0001664600000000 ] - [ 0.0000014800000000, -0.0000008600000000, 0.0006102200000000 ] - [ -0.0000014800000000, -0.0000008600000000, 0.0006102200000000 ] - [ 0.0000000000000000, 0.0000017100000000, 0.0006102200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006060100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004719600000000 ] - [ 0.0000000000000000, 0.0000568100000000, -0.0003059900000000 ] - [ -0.0000492000000000, -0.0000284000000000, -0.0003059900000000 ] - [ 0.0000492000000000, -0.0000284000000000, -0.0003059900000000 ] - [ -0.0000941200000000, 0.0000543400000000, 0.0006250200000000 ] - [ 0.0000941200000000, 0.0000543400000000, 0.0006250200000000 ] - [ 0.0000000000000000, -0.0001086800000000, 0.0006250200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005978900000000 ] - [ 0.0000008800000000, -0.0000005100000000, 0.0006826100000000 ] - [ -0.0000008800000000, -0.0000005100000000, 0.0006826100000000 ] - [ 0.0000000000000000, 0.0000010200000000, 0.0006826100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006801700000000 ] - [ 0.0000006000000000, -0.0000003500000000, 0.0006999300000000 ] - [ -0.0000006000000000, -0.0000003500000000, 0.0006999300000000 ] - [ 0.0000000000000000, 0.0000007000000000, 0.0006999300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007003000000000 ] - [ 0.0000000000000000, 0.0000008600000000, -0.0003953700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004004500000000 ] - [ 0.0000007400000000, -0.0000004300000000, -0.0003953700000000 ] - [ -0.0000007400000000, -0.0000004300000000, -0.0003953700000000 ] - [ 0.0000000000000000, -0.0072160300000000, -0.0091297900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030299200000000 ] - [ -0.0062492700000000, 0.0036080200000000, -0.0091297900000000 ] - [ 0.0062492700000000, 0.0036080200000000, -0.0091297900000000 ]- atom: 21 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000079900000000, -0.0000000200000000, -0.0001849900000000 ] - [ -0.0000102400000000, 0.0000000100000000, -0.0001849600000000 ] - [ -0.0000011200000000, 0.0000052700000000, -0.0001888900000000 ] - [ -0.0000011700000000, -0.0000053200000000, -0.0001811200000000 ] - [ 0.0000004000000000, -0.0000001500000000, 0.0004781600000000 ] - [ -0.0000006500000000, -0.0000001700000000, 0.0004781600000000 ] - [ -0.0000005600000000, 0.0000000300000000, 0.0004781200000000 ] - [ -0.0000005800000000, -0.0000000700000000, 0.0004781100000000 ] - [ 0.0000005100000000, 0.0000000400000000, -0.0003822100000000 ] - [ -0.0000008800000000, -0.0000000500000000, -0.0003822600000000 ] - [ -0.0000005300000000, 0.0000001600000000, -0.0003820900000000 ] - [ -0.0000006600000000, -0.0000001900000000, -0.0003823800000000 ] - [ 0.0000080500000000, -0.0000000500000000, 0.0001615000000000 ] - [ -0.0000102200000000, -0.0000000800000000, 0.0001614800000000 ] - [ -0.0000011800000000, 0.0000052500000000, 0.0001586400000000 ] - [ -0.0000012100000000, -0.0000053900000000, 0.0001642900000000 ] - [ -0.0000834800000000, -0.0000004800000000, -0.0003221900000000 ] - [ 0.0000837800000000, 0.0000004000000000, -0.0003213900000000 ] - [ 0.0000464500000000, -0.0000211900000000, -0.0004909400000000 ] - [ 0.0000478900000000, 0.0000211200000000, -0.0001531600000000 ] - [ -0.0337089200000000, 0.0000000300000000, 0.0002354900000000 ] - [ 0.0114419500000000, 0.0000008700000000, 0.0002320400000000 ] - [ 0.0003800600000000, -0.0063866900000000, -0.0038537500000000 ] - [ 0.0003799200000000, 0.0063855000000000, 0.0043189000000000 ] - [ -0.0002777200000000, -0.0000000400000000, -0.0000401900000000 ] - [ 0.0002579300000000, 0.0000001100000000, -0.0000399500000000 ] - [ 0.0000256500000000, -0.0001753000000000, 0.0001978000000000 ] - [ 0.0000259500000000, 0.0001751500000000, -0.0002776000000000 ] - [ 0.0000000200000000, 0.0000007700000000, 0.0001653200000000 ] - [ 0.0000000100000000, -0.0000004800000000, 0.0001862000000000 ] - [ 0.0000010900000000, 0.0000001200000000, 0.0001757700000000 ] - [ -0.0000032600000000, 0.0000001500000000, 0.0001758600000000 ] - [ 0.0002262700000000, 0.0000261100000000, -0.0006182300000000 ] - [ -0.0009396600000000, 0.0000031200000000, -0.0006423800000000 ] - [ 0.0057159800000000, -0.0031483200000000, 0.0071629700000000 ] - [ 0.0059660900000000, 0.0033361900000000, -0.0087233300000000 ] - [ -0.0000285700000000, -0.0000001500000000, -0.0004752600000000 ] - [ -0.0000823500000000, 0.0000000200000000, -0.0004750000000000 ] - [ 0.0000191500000000, 0.0000589900000000, -0.0007281100000000 ] - [ 0.0000193900000000, -0.0000583200000000, -0.0002226600000000 ] - [ 0.0000015900000000, -0.0000002400000000, -0.0005688500000000 ] - [ -0.0000022700000000, -0.0000002200000000, -0.0005688300000000 ] - [ -0.0000006200000000, 0.0000007300000000, -0.0005579200000000 ] - [ -0.0000006100000000, -0.0000011700000000, -0.0005798000000000 ] - [ -0.0000001200000000, -0.0000002500000000, 0.0005631800000000 ] - [ -0.0000000900000000, -0.0000000500000000, 0.0005649500000000 ] - [ -0.0000002600000000, -0.0000001300000000, 0.0005641100000000 ] - [ -0.0000002900000000, -0.0000001100000000, 0.0005641700000000 ] - [ -0.0000053900000000, -0.0000109700000000, 0.0007185100000000 ] - [ -0.0000053000000000, 0.0000110700000000, 0.0006265300000000 ] - [ -0.0000244200000000, -0.0000003300000000, 0.0006733900000000 ] - [ -0.0002373800000000, -0.0000002800000000, 0.0006716200000000 ] - [ -0.0000003800000000, 0.0000002600000000, -0.0003454700000000 ] - [ -0.0000011500000000, 0.0000002700000000, -0.0003454400000000 ] - [ -0.0000003700000000, 0.0000002700000000, -0.0003458700000000 ] - [ -0.0000003400000000, 0.0000003000000000, -0.0003448800000000 ] - [ -0.0000045200000000, -0.0000979100000000, 0.0004276000000000 ] - [ -0.0000047400000000, 0.0000981500000000, 0.0004330000000000 ] - [ -0.0001743900000000, 0.0000001800000000, 0.0004300700000000 ] - [ 0.0002021700000000, 0.0000000600000000, 0.0004303400000000 ] - [ -0.0000034300000000, -0.0000000900000000, -0.0005305000000000 ] - [ 0.0000033800000000, -0.0000000800000000, -0.0005304500000000 ] - [ -0.0000005100000000, -0.0000023600000000, -0.0005327500000000 ] - [ -0.0000004900000000, 0.0000021000000000, -0.0005280600000000 ] - [ 0.0058672100000000, -0.0032864000000000, 0.0084888700000000 ] - [ 0.0056173200000000, 0.0030983900000000, -0.0073392800000000 ] - [ 0.0002138700000000, -0.0000261000000000, 0.0004131600000000 ] - [ -0.0009381700000000, -0.0000033200000000, 0.0004373700000000 ] - [ -0.0000006700000000, 0.0000020400000000, 0.0005057300000000 ] - [ -0.0000006400000000, -0.0000018000000000, 0.0005005600000000 ] - [ 0.0000026500000000, 0.0000001100000000, 0.0005031400000000 ] - [ -0.0000023600000000, 0.0000001300000000, 0.0005032100000000 ] - [ 0.0000000000000000, -0.0000000800000000, 0.0005217300000000 ] - [ -0.0000000400000000, -0.0000001900000000, 0.0005221600000000 ] - [ 0.0000000600000000, -0.0000001300000000, 0.0005219700000000 ] - [ -0.0000009200000000, -0.0000001500000000, 0.0005220700000000 ] - [ -0.0000005900000000, 0.0000000700000000, -0.0005758300000000 ] - [ -0.0000009000000000, 0.0000001000000000, -0.0005759300000000 ] - [ -0.0000005700000000, 0.0000001100000000, -0.0005766700000000 ] - [ -0.0000005500000000, 0.0000001400000000, -0.0005750600000000 ] - [ 0.0001399700000000, 0.0000004000000000, -0.0001105400000000 ] - [ -0.0001112800000000, -0.0000000200000000, -0.0001101900000000 ] - [ -0.0000126900000000, 0.0000885600000000, -0.0000491500000000 ] - [ -0.0000133100000000, -0.0000880600000000, -0.0001717400000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000032500000000, 0.0001700500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001728200000000 ] - [ 0.0000028200000000, -0.0000016300000000, 0.0001700500000000 ] - [ -0.0000028200000000, -0.0000016300000000, 0.0001700500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008400900000000 ] - [ 0.0000000000000000, 0.0000001100000000, 0.0008375300000000 ] - [ -0.0000000900000000, -0.0000000500000000, 0.0008375300000000 ] - [ 0.0000000900000000, -0.0000000500000000, 0.0008375300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000245400000000 ] - [ 0.0000000000000000, -0.0000001100000000, -0.0000225200000000 ] - [ 0.0000001000000000, 0.0000000600000000, -0.0000225200000000 ] - [ -0.0000001000000000, 0.0000000600000000, -0.0000225200000000 ] - [ 0.0000000000000000, 0.0000044700000000, 0.0005181000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005208900000000 ] - [ 0.0000038700000000, -0.0000022400000000, 0.0005181000000000 ] - [ -0.0000038700000000, -0.0000022400000000, 0.0005181000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001031300000000 ] - [ 0.0000000000000000, 0.0001952400000000, 0.0001048900000000 ] - [ -0.0001690800000000, -0.0000976200000000, 0.0001048900000000 ] - [ 0.0001690800000000, -0.0000976200000000, 0.0001048900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0325236600000000 ] - [ 0.0000000000000000, 0.0047189500000000, -0.0089328600000000 ] - [ -0.0040867300000000, -0.0023594800000000, -0.0089328600000000 ] - [ 0.0040867300000000, -0.0023594800000000, -0.0089328600000000 ] - [ 0.0000000000000000, -0.0000740700000000, 0.0003661100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002246700000000 ] - [ -0.0000641400000000, 0.0000370300000000, 0.0003661100000000 ] - [ 0.0000641400000000, 0.0000370300000000, 0.0003661100000000 ] - [ 0.0000010800000000, -0.0000006300000000, -0.0000067500000000 ] - [ -0.0000010800000000, -0.0000006300000000, -0.0000067500000000 ] - [ 0.0000000000000000, 0.0000012500000000, -0.0000067500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000027000000000 ] - [ 0.0000000000000000, 0.0070012300000000, 0.0082959100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022527800000000 ] - [ 0.0060632400000000, -0.0035006100000000, 0.0082959100000000 ] - [ -0.0060632400000000, -0.0035006100000000, 0.0082959100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006578400000000 ] - [ 0.0000000000000000, -0.0000123700000000, -0.0005402300000000 ] - [ 0.0000107100000000, 0.0000061800000000, -0.0005402300000000 ] - [ -0.0000107100000000, 0.0000061800000000, -0.0005402300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007423700000000 ] - [ 0.0000000000000000, -0.0000004700000000, -0.0007504100000000 ] - [ 0.0000004100000000, 0.0000002300000000, -0.0007504100000000 ] - [ -0.0000004100000000, 0.0000002300000000, -0.0007504100000000 ] - [ -0.0000008400000000, 0.0000004800000000, 0.0003825400000000 ] - [ 0.0000008400000000, 0.0000004800000000, 0.0003825400000000 ] - [ 0.0000000000000000, -0.0000009700000000, 0.0003825400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003851400000000 ] - [ -0.0000019800000000, 0.0000011400000000, 0.0006332300000000 ] - [ 0.0000019800000000, 0.0000011400000000, 0.0006332300000000 ] - [ 0.0000000000000000, -0.0000022900000000, 0.0006332300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002964900000000 ] - [ 0.0000000000000000, -0.0000002900000000, -0.0005217400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005224200000000 ] - [ -0.0000002500000000, 0.0000001500000000, -0.0005217400000000 ] - [ 0.0000002500000000, 0.0000001500000000, -0.0005217400000000 ] - [ -0.0000701000000000, 0.0000404700000000, 0.0002579400000000 ] - [ 0.0000701000000000, 0.0000404700000000, 0.0002579400000000 ] - [ 0.0000000000000000, -0.0000809400000000, 0.0002579400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002107800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007085300000000 ] - [ 0.0000000000000000, 0.0000020400000000, -0.0007071800000000 ] - [ -0.0000017700000000, -0.0000010200000000, -0.0007071800000000 ] - [ 0.0000017700000000, -0.0000010200000000, -0.0007071800000000 ] - [ 0.0061542500000000, -0.0035531600000000, 0.0094395400000000 ] - [ -0.0061542500000000, -0.0035531600000000, 0.0094395400000000 ] - [ 0.0000000000000000, 0.0071063100000000, 0.0094395400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033269200000000 ] - [ 0.0000013000000000, -0.0000007500000000, 0.0003228800000000 ] - [ -0.0000013000000000, -0.0000007500000000, 0.0003228800000000 ] - [ 0.0000000000000000, 0.0000015000000000, 0.0003228800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003224200000000 ] - [ -0.0000002500000000, 0.0000001400000000, 0.0003407100000000 ] - [ 0.0000002500000000, 0.0000001400000000, 0.0003407100000000 ] - [ 0.0000000000000000, -0.0000002900000000, 0.0003407100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003396300000000 ] - [ 0.0000000000000000, -0.0000009400000000, -0.0007550000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007524600000000 ] - [ -0.0000008200000000, 0.0000004700000000, -0.0007550000000000 ] - [ 0.0000008200000000, 0.0000004700000000, -0.0007550000000000 ] - [ 0.0000000000000000, 0.0001078900000000, -0.0002962700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002698300000000 ] - [ 0.0000934300000000, -0.0000539400000000, -0.0002962700000000 ] - [ -0.0000934300000000, -0.0000539400000000, -0.0002962700000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000033000000000, -0.0005403700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005431200000000 ] - [ -0.0000028600000000, 0.0000016500000000, -0.0005403700000000 ] - [ 0.0000028600000000, 0.0000016500000000, -0.0005403700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001181000000000 ] - [ 0.0000000000000000, -0.0000000800000000, 0.0001214300000000 ] - [ 0.0000000700000000, 0.0000000400000000, 0.0001214300000000 ] - [ -0.0000000700000000, 0.0000000400000000, 0.0001214300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007396600000000 ] - [ 0.0000000000000000, 0.0000001000000000, -0.0007410100000000 ] - [ -0.0000000900000000, -0.0000000500000000, -0.0007410100000000 ] - [ 0.0000000900000000, -0.0000000500000000, -0.0007410100000000 ] - [ 0.0000000000000000, -0.0000044900000000, -0.0001933000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001961500000000 ] - [ -0.0000038900000000, 0.0000022400000000, -0.0001933000000000 ] - [ 0.0000038900000000, 0.0000022400000000, -0.0001933000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005381300000000 ] - [ 0.0000000000000000, -0.0001927600000000, -0.0007456800000000 ] - [ 0.0001669400000000, 0.0000963800000000, -0.0007456800000000 ] - [ -0.0001669400000000, 0.0000963800000000, -0.0007456800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0328893400000000 ] - [ 0.0000000000000000, -0.0047189400000000, 0.0093977700000000 ] - [ 0.0040867200000000, 0.0023594700000000, 0.0093977700000000 ] - [ -0.0040867200000000, 0.0023594700000000, 0.0093977700000000 ] - [ 0.0000000000000000, 0.0000715100000000, -0.0004444900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003042300000000 ] - [ 0.0000619300000000, -0.0000357500000000, -0.0004444900000000 ] - [ -0.0000619300000000, -0.0000357500000000, -0.0004444900000000 ] - [ -0.0000010800000000, 0.0000006200000000, 0.0003611700000000 ] - [ 0.0000010800000000, 0.0000006200000000, 0.0003611700000000 ] - [ 0.0000000000000000, -0.0000012500000000, 0.0003611700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003518100000000 ] - [ 0.0000000000000000, -0.0072298100000000, -0.0096689800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035336800000000 ] - [ -0.0062612000000000, 0.0036149000000000, -0.0096689800000000 ] - [ 0.0062612000000000, 0.0036149000000000, -0.0096689800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002932900000000 ] - [ 0.0000000000000000, 0.0000127800000000, -0.0004074900000000 ] - [ -0.0000110700000000, -0.0000063900000000, -0.0004074900000000 ] - [ 0.0000110700000000, -0.0000063900000000, -0.0004074900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003964300000000 ] - [ 0.0000000000000000, 0.0000004300000000, -0.0003881800000000 ] - [ -0.0000003700000000, -0.0000002100000000, -0.0003881800000000 ] - [ 0.0000003700000000, -0.0000002100000000, -0.0003881800000000 ] - [ 0.0000008600000000, -0.0000005000000000, 0.0007471900000000 ] - [ -0.0000008600000000, -0.0000005000000000, 0.0007471900000000 ] - [ 0.0000000000000000, 0.0000009900000000, 0.0007471900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007446500000000 ] - [ 0.0000018400000000, -0.0000010600000000, 0.0007133800000000 ] - [ -0.0000018400000000, -0.0000010600000000, 0.0007133800000000 ] - [ 0.0000000000000000, 0.0000021200000000, 0.0007133800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010454800000000 ] - [ 0.0000000000000000, 0.0000003100000000, -0.0001678000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001671000000000 ] - [ 0.0000002700000000, -0.0000001500000000, -0.0001678000000000 ] - [ -0.0000002700000000, -0.0000001500000000, -0.0001678000000000 ] - [ 0.0000695800000000, -0.0000401700000000, 0.0006038100000000 ] - [ -0.0000695800000000, -0.0000401700000000, 0.0006038100000000 ] - [ 0.0000000000000000, 0.0000803400000000, 0.0006038100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006522600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003519900000000 ] - [ 0.0000000000000000, -0.0000020100000000, -0.0003533200000000 ] - [ 0.0000017400000000, 0.0000010000000000, -0.0003533200000000 ] - [ -0.0000017400000000, 0.0000010000000000, -0.0003533200000000 ] - [ -0.0059568300000000, 0.0034391800000000, -0.0084741600000000 ] - [ 0.0059568300000000, 0.0034391800000000, -0.0084741600000000 ] - [ 0.0000000000000000, -0.0068783600000000, -0.0084741600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024537600000000 ] - [ -0.0000013000000000, 0.0000007500000000, 0.0006864700000000 ] - [ 0.0000013000000000, 0.0000007500000000, 0.0006864700000000 ] - [ 0.0000000000000000, -0.0000015100000000, 0.0006864700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006869400000000 ] - [ 0.0000002200000000, -0.0000001300000000, 0.0007055100000000 ] - [ -0.0000002200000000, -0.0000001300000000, 0.0007055100000000 ] - [ 0.0000000000000000, 0.0000002500000000, 0.0007055100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007066700000000 ] - [ 0.0000000000000000, 0.0000009200000000, -0.0003975100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004001200000000 ] - [ 0.0000008000000000, -0.0000004600000000, -0.0003975100000000 ] - [ -0.0000008000000000, -0.0000004600000000, -0.0003975100000000 ] - [ 0.0000000000000000, -0.0001072900000000, 0.0000760400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000509100000000 ] - [ -0.0000929200000000, 0.0000536500000000, 0.0000760400000000 ] - [ 0.0000929200000000, 0.0000536500000000, 0.0000760400000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000004300000000, 0.0000000000000000, -0.0001848600000000 ] - [ -0.0000011800000000, 0.0000000200000000, -0.0001848400000000 ] - [ -0.0000008100000000, 0.0000001700000000, -0.0001850300000000 ] - [ -0.0000008300000000, -0.0000002100000000, -0.0001847200000000 ] - [ -0.0000024600000000, -0.0000001500000000, 0.0004783700000000 ] - [ -0.0000010100000000, -0.0000001300000000, 0.0004783500000000 ] - [ -0.0000010200000000, -0.0000008300000000, 0.0004784500000000 ] - [ -0.0000010600000000, 0.0000007800000000, 0.0004782100000000 ] - [ -0.0000052200000000, 0.0000000300000000, -0.0003820100000000 ] - [ 0.0000030300000000, -0.0000000300000000, -0.0003820400000000 ] - [ -0.0000010700000000, -0.0000023900000000, -0.0003820700000000 ] - [ -0.0000011200000000, 0.0000023800000000, -0.0003819600000000 ] - [ -0.0000841100000000, -0.0000004400000000, 0.0001620700000000 ] - [ 0.0000836900000000, 0.0000003900000000, 0.0001612400000000 ] - [ 0.0000462800000000, -0.0000212500000000, 0.0003300300000000 ] - [ 0.0000477400000000, 0.0000210900000000, -0.0000063100000000 ] - [ -0.0000051400000000, -0.0000000500000000, -0.0003216100000000 ] - [ 0.0000029500000000, -0.0000000800000000, -0.0003216400000000 ] - [ -0.0000010400000000, -0.0000023600000000, -0.0003262100000000 ] - [ -0.0000010900000000, 0.0000023600000000, -0.0003170900000000 ] - [ -0.0002778500000000, 0.0000003200000000, 0.0002330100000000 ] - [ 0.0002578600000000, -0.0000006500000000, 0.0002323300000000 ] - [ 0.0000264800000000, -0.0001752200000000, 0.0001694800000000 ] - [ 0.0000249000000000, 0.0001753000000000, 0.0002956400000000 ] - [ -0.0337224500000000, 0.0000003800000000, -0.0000559100000000 ] - [ 0.0114421900000000, 0.0000009400000000, -0.0000403200000000 ] - [ 0.0003819400000000, -0.0063856200000000, 0.0040421700000000 ] - [ 0.0003818000000000, 0.0063846700000000, -0.0041216500000000 ] - [ -0.0000006300000000, 0.0000001700000000, 0.0001760200000000 ] - [ -0.0000006200000000, 0.0000001200000000, 0.0001773000000000 ] - [ -0.0000013900000000, 0.0000001300000000, 0.0001766900000000 ] - [ -0.0000006700000000, 0.0000001600000000, 0.0001767500000000 ] - [ 0.0000038900000000, -0.0000000100000000, -0.0006419100000000 ] - [ 0.0000058800000000, 0.0000002500000000, -0.0006424200000000 ] - [ -0.0000223900000000, -0.0000161500000000, -0.0008012800000000 ] - [ -0.0000218400000000, 0.0000161900000000, -0.0004829200000000 ] - [ 0.0002306000000000, -0.0000261200000000, -0.0004518800000000 ] - [ -0.0009373400000000, -0.0000031100000000, -0.0004759900000000 ] - [ 0.0059705900000000, -0.0033361900000000, -0.0085350300000000 ] - [ 0.0057207600000000, 0.0031486800000000, 0.0073075400000000 ] - [ -0.0000254600000000, -0.0000004000000000, -0.0005704300000000 ] - [ -0.0002380300000000, -0.0000003600000000, -0.0005687200000000 ] - [ -0.0000055500000000, -0.0000115500000000, -0.0006153200000000 ] - [ -0.0000054800000000, 0.0000115000000000, -0.0005239000000000 ] - [ -0.0000003700000000, -0.0000008800000000, 0.0005624600000000 ] - [ -0.0000003700000000, 0.0000006100000000, 0.0005674400000000 ] - [ 0.0000001300000000, -0.0000001200000000, 0.0005649800000000 ] - [ 0.0000009100000000, -0.0000001100000000, 0.0005650300000000 ] - [ 0.0000000100000000, 0.0000008100000000, 0.0006781600000000 ] - [ 0.0000000700000000, -0.0000010600000000, 0.0006680400000000 ] - [ -0.0000010700000000, -0.0000001400000000, 0.0006731800000000 ] - [ -0.0000015900000000, -0.0000001100000000, 0.0006731200000000 ] - [ -0.0000030900000000, 0.0000002700000000, -0.0003458900000000 ] - [ 0.0000003400000000, 0.0000002800000000, -0.0003459200000000 ] - [ -0.0000013700000000, -0.0000006700000000, -0.0003412000000000 ] - [ -0.0000013300000000, 0.0000012700000000, -0.0003505100000000 ] - [ 0.0059483300000000, 0.0033245800000000, 0.0084779400000000 ] - [ 0.0056988800000000, -0.0031371700000000, -0.0073392200000000 ] - [ -0.0009388900000000, 0.0000032300000000, 0.0004318500000000 ] - [ 0.0002285200000000, 0.0000261300000000, 0.0004077800000000 ] - [ -0.0000003100000000, -0.0000000900000000, -0.0005309100000000 ] - [ -0.0000003100000000, -0.0000000700000000, -0.0005308800000000 ] - [ -0.0000001500000000, -0.0000002100000000, -0.0005300200000000 ] - [ -0.0000001300000000, -0.0000000300000000, -0.0005316300000000 ] - [ 0.0000034700000000, 0.0000302800000000, 0.0004734800000000 ] - [ 0.0000035800000000, -0.0000307300000000, 0.0004019200000000 ] - [ -0.0001477100000000, -0.0000001500000000, 0.0004366200000000 ] - [ -0.0000493000000000, -0.0000000300000000, 0.0004384600000000 ] - [ -0.0000130400000000, -0.0000893700000000, 0.0005651900000000 ] - [ -0.0000124100000000, 0.0000896800000000, 0.0004428700000000 ] - [ -0.0001128800000000, -0.0000000900000000, 0.0005038400000000 ] - [ 0.0001423200000000, 0.0000003200000000, 0.0005041800000000 ] - [ -0.0000002600000000, -0.0000000400000000, 0.0005219100000000 ] - [ -0.0000002700000000, -0.0000002300000000, 0.0005236000000000 ] - [ -0.0000004600000000, -0.0000001100000000, 0.0005227900000000 ] - [ -0.0000004200000000, -0.0000001200000000, 0.0005228800000000 ] - [ 0.0000000600000000, 0.0000000600000000, -0.0005762600000000 ] - [ -0.0000000100000000, 0.0000001100000000, -0.0005756200000000 ] - [ -0.0000007800000000, -0.0000003100000000, -0.0005757200000000 ] - [ -0.0000007400000000, 0.0000005700000000, -0.0005761400000000 ] - [ 0.0000030100000000, 0.0000002100000000, -0.0001108700000000 ] - [ -0.0000042400000000, 0.0000002000000000, -0.0001107900000000 ] - [ -0.0000011300000000, 0.0000020300000000, -0.0001105900000000 ] - [ -0.0000011300000000, -0.0000015600000000, -0.0001111600000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0001731600000000 ] - [ 0.0000000000000000, 0.0000001800000000, 0.0001754800000000 ] - [ -0.0000001600000000, -0.0000000900000000, 0.0001754800000000 ] - [ 0.0000001600000000, -0.0000000900000000, 0.0001754800000000 ] - [ 0.0000000000000000, 0.0000002100000000, 0.0008368800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008366800000000 ] - [ 0.0000001800000000, -0.0000001000000000, 0.0008368800000000 ] - [ -0.0000001800000000, -0.0000001000000000, 0.0008368800000000 ] - [ 0.0000000000000000, 0.0000053600000000, -0.0000202700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000244600000000 ] - [ 0.0000046400000000, -0.0000026800000000, -0.0000202700000000 ] - [ -0.0000046400000000, -0.0000026800000000, -0.0000202700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003859900000000 ] - [ 0.0000000000000000, -0.0001939800000000, 0.0005874000000000 ] - [ 0.0001679900000000, 0.0000969900000000, 0.0005874000000000 ] - [ -0.0001679900000000, 0.0000969900000000, 0.0005874000000000 ] - [ 0.0000000000000000, 0.0000000500000000, 0.0000403300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000361100000000 ] - [ 0.0000000400000000, -0.0000000300000000, 0.0000403300000000 ] - [ -0.0000000400000000, -0.0000000300000000, 0.0000403300000000 ] - [ 0.0000000000000000, 0.0002753800000000, 0.0006392700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004972900000000 ] - [ 0.0002384900000000, -0.0001376900000000, 0.0006392700000000 ] - [ -0.0002384900000000, -0.0001376900000000, 0.0006392700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0327684700000000 ] - [ 0.0000000000000000, -0.0047136200000000, -0.0092111100000000 ] - [ 0.0040821100000000, 0.0023568100000000, -0.0092111100000000 ] - [ -0.0040821100000000, 0.0023568100000000, -0.0092111100000000 ] - [ -0.0000003000000000, -0.0000001700000000, -0.0000037300000000 ] - [ 0.0000003000000000, -0.0000001700000000, -0.0000037300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000043800000000 ] - [ 0.0000000000000000, 0.0000003500000000, -0.0000037300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007028300000000 ] - [ 0.0000000000000000, 0.0000574300000000, -0.0008696600000000 ] - [ -0.0000497400000000, -0.0000287200000000, -0.0008696600000000 ] - [ 0.0000497400000000, -0.0000287200000000, -0.0008696600000000 ] - [ 0.0000000000000000, -0.0069907900000000, 0.0084548300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024468700000000 ] - [ -0.0060542000000000, 0.0034954000000000, 0.0084548300000000 ] - [ 0.0060542000000000, 0.0034954000000000, 0.0084548300000000 ] - [ 0.0000000000000000, 0.0000026500000000, -0.0006085700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009440200000000 ] - [ 0.0000022900000000, -0.0000013200000000, -0.0006085700000000 ] - [ -0.0000022900000000, -0.0000013200000000, -0.0006085700000000 ] - [ -0.0000014500000000, -0.0000008400000000, 0.0003832900000000 ] - [ 0.0000014500000000, -0.0000008400000000, 0.0003832900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003875300000000 ] - [ 0.0000000000000000, 0.0000016800000000, 0.0003832900000000 ] - [ -0.0000011900000000, -0.0000006900000000, 0.0004928300000000 ] - [ 0.0000011900000000, -0.0000006900000000, 0.0004928300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004925800000000 ] - [ 0.0000000000000000, 0.0000013700000000, 0.0004928300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005328300000000 ] - [ 0.0000000000000000, -0.0000007700000000, -0.0005222600000000 ] - [ 0.0000006600000000, 0.0000003800000000, -0.0005222600000000 ] - [ -0.0000006600000000, 0.0000003800000000, -0.0005222600000000 ] - [ 0.0062330900000000, 0.0035986700000000, 0.0094467600000000 ] - [ -0.0062330900000000, 0.0035986700000000, 0.0094467600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033430900000000 ] - [ 0.0000000000000000, -0.0071973500000000, 0.0094467600000000 ] - [ 0.0000000000000000, 0.0000009200000000, -0.0007100000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007074500000000 ] - [ 0.0000008000000000, -0.0000004600000000, -0.0007100000000000 ] - [ -0.0000008000000000, -0.0000004600000000, -0.0007100000000000 ] - [ -0.0000136400000000, -0.0000078800000000, 0.0004059200000000 ] - [ 0.0000136400000000, -0.0000078800000000, 0.0004059200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000576500000000 ] - [ 0.0000000000000000, 0.0000157500000000, 0.0004059200000000 ] - [ 0.0000936200000000, 0.0000540500000000, 0.0003153500000000 ] - [ -0.0000936200000000, 0.0000540500000000, 0.0003153500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003412800000000 ] - [ 0.0000000000000000, -0.0001081000000000, 0.0003153500000000 ] - [ -0.0000008900000000, -0.0000005100000000, 0.0003425700000000 ] - [ 0.0000008900000000, -0.0000005100000000, 0.0003425700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003450900000000 ] - [ 0.0000000000000000, 0.0000010300000000, 0.0003425700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007585900000000 ] - [ 0.0000000000000000, 0.0000000700000000, -0.0007555200000000 ] - [ -0.0000000600000000, -0.0000000300000000, -0.0007555200000000 ] - [ 0.0000000600000000, -0.0000000300000000, -0.0007555200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002921400000000 ] - [ 0.0000000000000000, 0.0000018200000000, -0.0002891700000000 ] - [ -0.0000015700000000, -0.0000009100000000, -0.0002891700000000 ] - [ 0.0000015700000000, -0.0000009100000000, -0.0002891700000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0005450300000000 ] - [ 0.0000000000000000, -0.0000001400000000, -0.0005481500000000 ] - [ 0.0000001200000000, 0.0000000700000000, -0.0005481500000000 ] - [ -0.0000001200000000, 0.0000000700000000, -0.0005481500000000 ] - [ 0.0000000000000000, -0.0000002100000000, 0.0001200900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001202700000000 ] - [ -0.0000001800000000, 0.0000001000000000, 0.0001200900000000 ] - [ 0.0000001800000000, 0.0000001000000000, 0.0001200900000000 ] - [ 0.0000000000000000, -0.0000053800000000, -0.0007453300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007410800000000 ] - [ -0.0000046600000000, 0.0000026900000000, -0.0007453300000000 ] - [ 0.0000046600000000, 0.0000026900000000, -0.0007453300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000624900000000 ] - [ 0.0000000000000000, 0.0001964400000000, -0.0002652700000000 ] - [ -0.0001701300000000, -0.0000982200000000, -0.0002652700000000 ] - [ 0.0001701300000000, -0.0000982200000000, -0.0002652700000000 ] - [ 0.0000000000000000, -0.0000001100000000, -0.0006835600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006793400000000 ] - [ -0.0000001000000000, 0.0000000600000000, -0.0006835600000000 ] - [ 0.0000001000000000, 0.0000000600000000, -0.0006835600000000 ] - [ 0.0000000000000000, -0.0002736000000000, -0.0001743800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000346000000000 ] - [ -0.0002369500000000, 0.0001368000000000, -0.0001743800000000 ] - [ 0.0002369500000000, 0.0001368000000000, -0.0001743800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0327269900000000 ] - [ 0.0000000000000000, 0.0047139500000000, 0.0091321700000000 ] - [ -0.0040824000000000, -0.0023569700000000, 0.0091321700000000 ] - [ 0.0040824000000000, -0.0023569700000000, 0.0091321700000000 ] - [ 0.0000002700000000, 0.0000001600000000, 0.0003555600000000 ] - [ -0.0000002700000000, 0.0000001600000000, 0.0003555600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003561500000000 ] - [ 0.0000000000000000, -0.0000003100000000, 0.0003555600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005814700000000 ] - [ 0.0000000000000000, -0.0000565800000000, -0.0004147000000000 ] - [ 0.0000490000000000, 0.0000282900000000, -0.0004147000000000 ] - [ -0.0000490000000000, 0.0000282900000000, -0.0004147000000000 ] - [ 0.0000000000000000, 0.0072188700000000, -0.0094939200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0033936700000000 ] - [ 0.0062517200000000, -0.0036094300000000, -0.0094939200000000 ] - [ -0.0062517200000000, -0.0036094300000000, -0.0094939200000000 ] - [ 0.0000000000000000, -0.0000027600000000, -0.0005312800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001914400000000 ] - [ -0.0000023900000000, 0.0000013800000000, -0.0005312800000000 ] - [ 0.0000023900000000, 0.0000013800000000, -0.0005312800000000 ] - [ 0.0000014900000000, 0.0000008600000000, 0.0007437900000000 ] - [ -0.0000014900000000, 0.0000008600000000, 0.0007437900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007395700000000 ] - [ 0.0000000000000000, -0.0000017200000000, 0.0007437900000000 ] - [ 0.0000011800000000, 0.0000006800000000, 0.0008499800000000 ] - [ -0.0000011800000000, 0.0000006800000000, 0.0008499800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008503900000000 ] - [ 0.0000000000000000, -0.0000013600000000, 0.0008499800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001573500000000 ] - [ 0.0000000000000000, 0.0000007800000000, -0.0001676900000000 ] - [ -0.0000006700000000, -0.0000003900000000, -0.0001676900000000 ] - [ 0.0000006700000000, -0.0000003900000000, -0.0001676900000000 ] - [ -0.0060355600000000, -0.0034846300000000, -0.0084986400000000 ] - [ 0.0060355600000000, -0.0034846300000000, -0.0084986400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024873700000000 ] - [ 0.0000000000000000, 0.0069692700000000, -0.0084986400000000 ] - [ 0.0000000000000000, -0.0000009300000000, -0.0003507900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003533500000000 ] - [ -0.0000008100000000, 0.0000004700000000, -0.0003507900000000 ] - [ 0.0000008100000000, 0.0000004700000000, -0.0003507900000000 ] - [ 0.0000132300000000, 0.0000076400000000, 0.0004684200000000 ] - [ -0.0000132300000000, 0.0000076400000000, 0.0004684200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008119600000000 ] - [ 0.0000000000000000, -0.0000152800000000, 0.0004684200000000 ] - [ -0.0000941400000000, -0.0000543500000000, 0.0006911600000000 ] - [ 0.0000941400000000, -0.0000543500000000, 0.0006911600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006640300000000 ] - [ 0.0000000000000000, 0.0001087100000000, 0.0006911600000000 ] - [ 0.0000008900000000, 0.0000005100000000, 0.0007005100000000 ] - [ -0.0000008900000000, 0.0000005100000000, 0.0007005100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006980700000000 ] - [ 0.0000000000000000, -0.0000010300000000, 0.0007005100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003939600000000 ] - [ 0.0000000000000000, -0.0000000500000000, -0.0003957900000000 ] - [ 0.0000000400000000, 0.0000000200000000, -0.0003957900000000 ] - [ -0.0000000400000000, 0.0000000200000000, -0.0003957900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000714500000000 ] - [ 0.0000000000000000, -0.0000018200000000, 0.0000685800000000 ] - [ 0.0000015700000000, 0.0000009100000000, 0.0000685800000000 ] - [ -0.0000015700000000, 0.0000009100000000, 0.0000685800000000 ]- atom: 29 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0056081000000000, 0.0030913200000000, 0.0057287400000000 ] - [ 0.0058704900000000, -0.0032895600000000, -0.0063735400000000 ] - [ -0.0009368000000000, -0.0000064700000000, -0.0001799200000000 ] - [ 0.0002143500000000, -0.0000150300000000, -0.0001759900000000 ] - [ -0.0000036400000000, -0.0000987900000000, 0.0004079600000000 ] - [ -0.0000034800000000, 0.0000983300000000, 0.0005478500000000 ] - [ -0.0001742500000000, -0.0000000100000000, 0.0004778500000000 ] - [ 0.0002040100000000, 0.0000000900000000, 0.0004778400000000 ] - [ -0.0000001700000000, 0.0000005500000000, -0.0003835900000000 ] - [ -0.0000001500000000, -0.0000005400000000, -0.0003811800000000 ] - [ 0.0000007700000000, -0.0000000200000000, -0.0003824100000000 ] - [ 0.0000000700000000, 0.0000000100000000, -0.0003823700000000 ] - [ 0.0000002700000000, 0.0000001200000000, 0.0001608600000000 ] - [ 0.0000002800000000, -0.0000002600000000, 0.0001616300000000 ] - [ -0.0000000800000000, -0.0000000600000000, 0.0001612700000000 ] - [ -0.0000000600000000, -0.0000000400000000, 0.0001612100000000 ] - [ 0.0000033100000000, -0.0000312000000000, -0.0003350300000000 ] - [ 0.0000048100000000, 0.0000299500000000, -0.0003080600000000 ] - [ -0.0000488800000000, 0.0000001000000000, -0.0003223800000000 ] - [ -0.0001467200000000, 0.0000027800000000, -0.0003216700000000 ] - [ 0.0000007100000000, 0.0000003500000000, 0.0002332600000000 ] - [ 0.0000006900000000, -0.0000005500000000, 0.0002311700000000 ] - [ 0.0000014600000000, -0.0000000900000000, 0.0002321900000000 ] - [ -0.0000017400000000, -0.0000000700000000, 0.0002322300000000 ] - [ -0.0000001300000000, 0.0000000700000000, -0.0000400700000000 ] - [ -0.0000002500000000, 0.0000000400000000, -0.0000403300000000 ] - [ -0.0000000100000000, 0.0000000600000000, -0.0000402700000000 ] - [ -0.0000001800000000, -0.0000000100000000, -0.0000402000000000 ] - [ -0.0269210800000000, 0.0002006700000000, 0.0004437900000000 ] - [ 0.0107466900000000, 0.0000052200000000, 0.0001805400000000 ] - [ 0.0019955200000000, -0.0050609300000000, 0.0003347900000000 ] - [ 0.0019857600000000, 0.0050494000000000, 0.0000175200000000 ] - [ 0.0000003400000000, 0.0000012600000000, -0.0006438200000000 ] - [ 0.0000003300000000, -0.0000011400000000, -0.0006415400000000 ] - [ -0.0000031500000000, 0.0000000800000000, -0.0006427200000000 ] - [ -0.0000017300000000, 0.0000000600000000, -0.0006426500000000 ] - [ 0.0000002700000000, 0.0000003500000000, -0.0004755800000000 ] - [ 0.0000002400000000, -0.0000003700000000, -0.0004758000000000 ] - [ 0.0000008600000000, 0.0000000200000000, -0.0004757100000000 ] - [ 0.0000004200000000, 0.0000000100000000, -0.0004758100000000 ] - [ 0.0000008000000000, -0.0000003800000000, -0.0005699000000000 ] - [ 0.0000007800000000, -0.0000000300000000, -0.0005697200000000 ] - [ 0.0000004800000000, -0.0000002200000000, -0.0005697900000000 ] - [ 0.0000000500000000, -0.0000002000000000, -0.0005698200000000 ] - [ 0.0000026200000000, -0.0000001400000000, 0.0005652700000000 ] - [ -0.0000003600000000, -0.0000001300000000, 0.0005652400000000 ] - [ 0.0000000600000000, 0.0000001200000000, 0.0005649700000000 ] - [ 0.0000000600000000, -0.0000003500000000, 0.0005656800000000 ] - [ 0.0000293900000000, 0.0000001400000000, 0.0006731700000000 ] - [ -0.0000052800000000, 0.0000005500000000, 0.0006740100000000 ] - [ -0.0000449600000000, -0.0000238400000000, 0.0007050800000000 ] - [ -0.0000459600000000, 0.0000225500000000, 0.0006419000000000 ] - [ -0.0000002100000000, 0.0000007500000000, -0.0003456100000000 ] - [ -0.0000001700000000, -0.0000001800000000, -0.0003470500000000 ] - [ 0.0000010000000000, 0.0000002900000000, -0.0003462900000000 ] - [ -0.0000009900000000, 0.0000003000000000, -0.0003462400000000 ] - [ 0.0000000700000000, 0.0000001200000000, 0.0004314200000000 ] - [ -0.0000002000000000, 0.0000001100000000, 0.0004314600000000 ] - [ 0.0000003000000000, 0.0000004200000000, 0.0004314800000000 ] - [ 0.0000002500000000, -0.0000001500000000, 0.0004312900000000 ] - [ 0.0018098500000000, -0.0022071900000000, 0.0029362200000000 ] - [ 0.0018066500000000, 0.0022292500000000, -0.0040263700000000 ] - [ -0.0020337300000000, 0.0000065700000000, -0.0005248700000000 ] - [ -0.0007413800000000, 0.0000045800000000, -0.0005297600000000 ] - [ 0.0000003600000000, -0.0000001300000000, 0.0004379200000000 ] - [ 0.0000018300000000, -0.0000001100000000, 0.0004378000000000 ] - [ 0.0000003400000000, -0.0000010100000000, 0.0004378900000000 ] - [ 0.0000003400000000, 0.0000007200000000, 0.0004378300000000 ] - [ 0.0000001500000000, 0.0000001300000000, 0.0005044900000000 ] - [ -0.0000003100000000, 0.0000001300000000, 0.0005045000000000 ] - [ 0.0000002300000000, 0.0000004500000000, 0.0005043600000000 ] - [ 0.0000002400000000, -0.0000002100000000, 0.0005046700000000 ] - [ 0.0000290300000000, -0.0000000500000000, 0.0005232600000000 ] - [ -0.0000060000000000, 0.0000000500000000, 0.0005235800000000 ] - [ -0.0000462600000000, -0.0000232200000000, 0.0006914000000000 ] - [ -0.0000460200000000, 0.0000231300000000, 0.0003554200000000 ] - [ 0.0000080900000000, 0.0000303900000000, -0.0006414600000000 ] - [ 0.0000081600000000, -0.0000301100000000, -0.0005123000000000 ] - [ 0.0000279400000000, 0.0000000900000000, -0.0005768300000000 ] - [ -0.0000442900000000, 0.0000001500000000, -0.0005767400000000 ] - [ 0.0004608800000000, 0.0002743700000000, -0.0005885200000000 ] - [ 0.0004669100000000, -0.0002800400000000, 0.0003777600000000 ] - [ -0.0000217800000000, 0.0000001300000000, -0.0001116900000000 ] - [ -0.0000162000000000, -0.0000034700000000, -0.0001151700000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0077869200000000, 0.0044957800000000, 0.0087274900000000 ] - [ -0.0077869200000000, 0.0044957800000000, 0.0087274900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027042700000000 ] - [ 0.0000000000000000, -0.0089915600000000, 0.0087274900000000 ] - [ -0.0000023500000000, 0.0000013600000000, 0.0003072700000000 ] - [ 0.0000023500000000, 0.0000013600000000, 0.0003072700000000 ] - [ 0.0000000000000000, -0.0000027100000000, 0.0003072700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002580800000000 ] - [ -0.0000022300000000, 0.0000012900000000, -0.0005646700000000 ] - [ 0.0000022300000000, 0.0000012900000000, -0.0005646700000000 ] - [ 0.0000000000000000, -0.0000025800000000, -0.0005646700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005613400000000 ] - [ -0.0000003400000000, -0.0000001900000000, -0.0000191400000000 ] - [ 0.0000003400000000, -0.0000001900000000, -0.0000191400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000182700000000 ] - [ 0.0000000000000000, 0.0000003900000000, -0.0000191400000000 ] - [ 0.0000364500000000, -0.0000210500000000, -0.0003543000000000 ] - [ -0.0000364500000000, -0.0000210500000000, -0.0003543000000000 ] - [ 0.0000000000000000, 0.0000420900000000, -0.0003543000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007034300000000 ] - [ -0.0000104600000000, 0.0000060400000000, 0.0000497500000000 ] - [ 0.0000104600000000, 0.0000060400000000, 0.0000497500000000 ] - [ 0.0000000000000000, -0.0000120800000000, 0.0000497500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000599900000000 ] - [ -0.0000002400000000, -0.0000001400000000, -0.0002217000000000 ] - [ 0.0000002400000000, -0.0000001400000000, -0.0002217000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002213100000000 ] - [ 0.0000000000000000, 0.0000002800000000, -0.0002217000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0365831400000000 ] - [ 0.0000000000000000, -0.0001870200000000, -0.0015213900000000 ] - [ 0.0001619600000000, 0.0000935100000000, -0.0015213900000000 ] - [ -0.0001619600000000, 0.0000935100000000, -0.0015213900000000 ] - [ -0.0000006500000000, -0.0000003700000000, -0.0005574400000000 ] - [ 0.0000006500000000, -0.0000003700000000, -0.0005574400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005290200000000 ] - [ 0.0000000000000000, 0.0000007500000000, -0.0005574400000000 ] - [ 0.0000001500000000, -0.0000000900000000, -0.0003845300000000 ] - [ -0.0000001500000000, -0.0000000900000000, -0.0003845300000000 ] - [ 0.0000000000000000, 0.0000001800000000, -0.0003845300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003844900000000 ] - [ -0.0000000700000000, 0.0000000400000000, -0.0004785200000000 ] - [ 0.0000000700000000, 0.0000000400000000, -0.0004785200000000 ] - [ 0.0000000000000000, -0.0000000800000000, -0.0004785200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004795200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006601400000000 ] - [ 0.0000000000000000, -0.0000000700000000, 0.0006543700000000 ] - [ 0.0000000600000000, 0.0000000400000000, 0.0006543700000000 ] - [ -0.0000000600000000, 0.0000000400000000, 0.0006543700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006720900000000 ] - [ 0.0000000000000000, 0.0001933300000000, 0.0008108500000000 ] - [ -0.0001674300000000, -0.0000966700000000, 0.0008108500000000 ] - [ 0.0001674300000000, -0.0000966700000000, 0.0008108500000000 ] - [ 0.0000010900000000, 0.0000006300000000, -0.0002546200000000 ] - [ -0.0000010900000000, 0.0000006300000000, -0.0002546200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002560400000000 ] - [ 0.0000000000000000, -0.0000012600000000, -0.0002546200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005220500000000 ] - [ 0.0000000000000000, 0.0000001000000000, 0.0005215700000000 ] - [ -0.0000000900000000, -0.0000000500000000, 0.0005215700000000 ] - [ 0.0000000900000000, -0.0000000500000000, 0.0005215700000000 ] - [ 0.0034774800000000, -0.0020077300000000, 0.0032106400000000 ] - [ -0.0034774800000000, -0.0020077300000000, 0.0032106400000000 ] - [ 0.0000000000000000, 0.0040154500000000, 0.0032106400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014958500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005258200000000 ] - [ 0.0000000000000000, -0.0000050700000000, 0.0005301100000000 ] - [ 0.0000043900000000, 0.0000025400000000, 0.0005301100000000 ] - [ -0.0000043900000000, 0.0000025400000000, 0.0005301100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005963800000000 ] - [ 0.0000000000000000, -0.0000000500000000, 0.0005953700000000 ] - [ 0.0000000500000000, 0.0000000300000000, 0.0005953700000000 ] - [ -0.0000000500000000, 0.0000000300000000, 0.0005953700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005236200000000 ] - [ 0.0000000000000000, 0.0000358000000000, 0.0006616500000000 ] - [ -0.0000310100000000, -0.0000179000000000, 0.0006616500000000 ] - [ 0.0000310100000000, -0.0000179000000000, 0.0006616500000000 ] - [ -0.0000316600000000, -0.0000182800000000, -0.0004724900000000 ] - [ 0.0000316600000000, -0.0000182800000000, -0.0004724900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005310600000000 ] - [ 0.0000000000000000, 0.0000365600000000, -0.0004724900000000 ] - [ -0.0006354400000000, -0.0003668700000000, 0.0005669700000000 ] - [ 0.0006354400000000, -0.0003668700000000, 0.0005669700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001807100000000 ] - [ 0.0000000000000000, 0.0007337400000000, 0.0005669700000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0080276300000000, -0.0046347600000000, -0.0091912400000000 ] - [ 0.0080276300000000, -0.0046347600000000, -0.0091912400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030823500000000 ] - [ 0.0000000000000000, 0.0092695100000000, -0.0091912400000000 ] - [ 0.0000021300000000, -0.0000012300000000, 0.0006474400000000 ] - [ -0.0000021300000000, -0.0000012300000000, 0.0006474400000000 ] - [ 0.0000000000000000, 0.0000024600000000, 0.0006474400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006972600000000 ] - [ 0.0000022400000000, -0.0000012900000000, -0.0002013000000000 ] - [ -0.0000022400000000, -0.0000012900000000, -0.0002013000000000 ] - [ 0.0000000000000000, 0.0000025900000000, -0.0002013000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002046600000000 ] - [ 0.0000003600000000, 0.0000002100000000, 0.0003406500000000 ] - [ -0.0000003600000000, 0.0000002100000000, 0.0003406500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003398500000000 ] - [ 0.0000000000000000, -0.0000004200000000, 0.0003406500000000 ] - [ -0.0000347700000000, 0.0000200700000000, -0.0002869300000000 ] - [ 0.0000347700000000, 0.0000200700000000, -0.0002869300000000 ] - [ 0.0000000000000000, -0.0000401500000000, -0.0002869300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000531200000000 ] - [ 0.0000101900000000, -0.0000058800000000, 0.0004137500000000 ] - [ -0.0000101900000000, -0.0000058800000000, 0.0004137500000000 ] - [ 0.0000000000000000, 0.0000117700000000, 0.0004137500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004039000000000 ] - [ 0.0000001500000000, 0.0000000900000000, 0.0001401000000000 ] - [ -0.0000001500000000, 0.0000000900000000, 0.0001401000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001397500000000 ] - [ 0.0000000000000000, -0.0000001800000000, 0.0001401000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0373621600000000 ] - [ 0.0000000000000000, 0.0001793400000000, 0.0018656300000000 ] - [ -0.0001553100000000, -0.0000896700000000, 0.0018656300000000 ] - [ 0.0001553100000000, -0.0000896700000000, 0.0018656300000000 ] - [ 0.0000006300000000, 0.0000003600000000, -0.0007267300000000 ] - [ -0.0000006300000000, 0.0000003600000000, -0.0007267300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007544200000000 ] - [ 0.0000000000000000, -0.0000007200000000, -0.0007267300000000 ] - [ -0.0000001000000000, 0.0000000600000000, -0.0005643200000000 ] - [ 0.0000001000000000, 0.0000000600000000, -0.0005643200000000 ] - [ 0.0000000000000000, -0.0000001100000000, -0.0005643200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005646900000000 ] - [ 0.0000000400000000, -0.0000000300000000, -0.0006596100000000 ] - [ -0.0000000400000000, -0.0000000300000000, -0.0006596100000000 ] - [ 0.0000000000000000, 0.0000000500000000, -0.0006596100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006586900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004689200000000 ] - [ 0.0000000000000000, 0.0000000500000000, 0.0004749200000000 ] - [ -0.0000000400000000, -0.0000000200000000, 0.0004749200000000 ] - [ 0.0000000400000000, -0.0000000200000000, 0.0004749200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006711800000000 ] - [ 0.0000000000000000, -0.0001880900000000, 0.0005363600000000 ] - [ 0.0001628900000000, 0.0000940400000000, 0.0005363600000000 ] - [ -0.0001628900000000, 0.0000940400000000, 0.0005363600000000 ] - [ -0.0000011500000000, -0.0000006600000000, -0.0004352800000000 ] - [ 0.0000011500000000, -0.0000006600000000, -0.0004352800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004337700000000 ] - [ 0.0000000000000000, 0.0000013200000000, -0.0004352800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003396000000000 ] - [ 0.0000000000000000, -0.0000001600000000, 0.0003399400000000 ] - [ 0.0000001400000000, 0.0000000800000000, 0.0003399400000000 ] - [ -0.0000001400000000, 0.0000000800000000, 0.0003399400000000 ] - [ -0.0035292200000000, 0.0020376000000000, -0.0043347900000000 ] - [ 0.0035292200000000, 0.0020376000000000, -0.0043347900000000 ] - [ 0.0000000000000000, -0.0040751900000000, -0.0043347900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004357600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003495800000000 ] - [ 0.0000000000000000, 0.0000049600000000, 0.0003450800000000 ] - [ -0.0000043000000000, -0.0000024800000000, 0.0003450800000000 ] - [ 0.0000043000000000, -0.0000024800000000, 0.0003450800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004122800000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0004133200000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0004133200000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0004133200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005230600000000 ] - [ 0.0000000000000000, -0.0000357300000000, 0.0003840400000000 ] - [ 0.0000309400000000, 0.0000178600000000, 0.0003840400000000 ] - [ -0.0000309400000000, 0.0000178600000000, 0.0003840400000000 ] - [ 0.0000319300000000, 0.0000184400000000, -0.0006796200000000 ] - [ -0.0000319300000000, 0.0000184400000000, -0.0006796200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006207800000000 ] - [ 0.0000000000000000, -0.0000368700000000, -0.0006796200000000 ] - [ 0.0006154500000000, 0.0003553300000000, -0.0007657200000000 ] - [ -0.0006154500000000, 0.0003553300000000, -0.0007657200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000442100000000 ] - [ 0.0000000000000000, -0.0007106600000000, -0.0007657200000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000014400000000, -0.0000000300000000, -0.0001847100000000 ] - [ -0.0000018600000000, -0.0000000100000000, -0.0001846600000000 ] - [ 0.0000002400000000, 0.0000011900000000, -0.0001850300000000 ] - [ 0.0000002000000000, -0.0000011600000000, -0.0001843400000000 ] - [ -0.0000001500000000, -0.0000001900000000, 0.0004785200000000 ] - [ -0.0000000500000000, -0.0000001600000000, 0.0004785200000000 ] - [ -0.0000001500000000, 0.0000000100000000, 0.0004786600000000 ] - [ -0.0000001400000000, -0.0000000100000000, 0.0004783100000000 ] - [ -0.0000000200000000, 0.0000000600000000, -0.0003817700000000 ] - [ -0.0000000800000000, -0.0000000400000000, -0.0003818300000000 ] - [ 0.0000003800000000, -0.0000002300000000, -0.0003822500000000 ] - [ 0.0000002600000000, 0.0000001900000000, -0.0003813300000000 ] - [ -0.0000026500000000, -0.0000000600000000, 0.0001618600000000 ] - [ 0.0000029800000000, -0.0000000800000000, 0.0001618600000000 ] - [ -0.0000006000000000, -0.0000021200000000, 0.0001637200000000 ] - [ -0.0000006200000000, 0.0000020100000000, 0.0001599600000000 ] - [ -0.0000246800000000, -0.0000003700000000, -0.0003223600000000 ] - [ -0.0002378700000000, -0.0000000500000000, -0.0003214000000000 ] - [ -0.0000056100000000, -0.0000112500000000, -0.0003241400000000 ] - [ -0.0000046900000000, 0.0000113100000000, -0.0003199900000000 ] - [ 0.0002266600000000, -0.0000133100000000, 0.0002242800000000 ] - [ -0.0009400200000000, -0.0000062600000000, 0.0002275200000000 ] - [ 0.0059717200000000, -0.0033417900000000, 0.0065335200000000 ] - [ 0.0057114000000000, 0.0031430000000000, -0.0057925600000000 ] - [ 0.0000055400000000, 0.0000002300000000, -0.0000396500000000 ] - [ 0.0000063500000000, -0.0000000500000000, -0.0000393900000000 ] - [ -0.0000207900000000, -0.0000158900000000, -0.0000890900000000 ] - [ -0.0000212100000000, 0.0000157000000000, 0.0000096900000000 ] - [ 0.0000002600000000, 0.0000012600000000, 0.0001758400000000 ] - [ 0.0000002600000000, -0.0000009500000000, 0.0001774200000000 ] - [ -0.0000031000000000, 0.0000001300000000, 0.0001766100000000 ] - [ -0.0000016700000000, 0.0000001500000000, 0.0001766800000000 ] - [ -0.0273684900000000, 0.0001852400000000, -0.0009062500000000 ] - [ 0.0106466700000000, 0.0000053000000000, -0.0006464100000000 ] - [ 0.0019915800000000, -0.0050059400000000, -0.0007630500000000 ] - [ 0.0019815600000000, 0.0049935800000000, -0.0005217100000000 ] - [ -0.0000067400000000, 0.0000000800000000, -0.0004755900000000 ] - [ 0.0001252800000000, 0.0000001800000000, -0.0004763300000000 ] - [ -0.0000154700000000, 0.0000051600000000, -0.0004888700000000 ] - [ -0.0000155300000000, -0.0000049400000000, -0.0004631900000000 ] - [ 0.0000008000000000, -0.0000002100000000, -0.0005700100000000 ] - [ 0.0000000400000000, -0.0000002100000000, -0.0005700200000000 ] - [ -0.0000003600000000, 0.0000004400000000, -0.0005737500000000 ] - [ -0.0000003400000000, -0.0000008600000000, -0.0005662500000000 ] - [ 0.0000007000000000, 0.0000000700000000, 0.0005646800000000 ] - [ 0.0000007100000000, -0.0000003400000000, 0.0005649200000000 ] - [ -0.0000000800000000, -0.0000001200000000, 0.0005648300000000 ] - [ 0.0000003400000000, -0.0000001000000000, 0.0005648800000000 ] - [ 0.0006096100000000, 0.0003531900000000, 0.0000674600000000 ] - [ 0.0006036900000000, -0.0003478500000000, 0.0012649900000000 ] - [ -0.0000150100000000, 0.0000000400000000, 0.0006739900000000 ] - [ -0.0000004600000000, 0.0000001700000000, 0.0006736600000000 ] - [ 0.0000001600000000, 0.0000002900000000, -0.0003465600000000 ] - [ -0.0000002400000000, 0.0000002900000000, -0.0003465100000000 ] - [ 0.0000002800000000, 0.0000006100000000, -0.0003463900000000 ] - [ 0.0000003100000000, -0.0000000200000000, -0.0003465500000000 ] - [ 0.0000082500000000, 0.0000297900000000, 0.0003990400000000 ] - [ 0.0000081000000000, -0.0000297200000000, 0.0004629300000000 ] - [ 0.0000274100000000, 0.0000002300000000, 0.0004309900000000 ] - [ -0.0000433700000000, 0.0000001500000000, 0.0004308500000000 ] - [ 0.0000008200000000, -0.0000000900000000, -0.0005315600000000 ] - [ -0.0000000500000000, -0.0000000700000000, -0.0005315200000000 ] - [ -0.0000001700000000, 0.0000004800000000, -0.0005325600000000 ] - [ -0.0000001700000000, -0.0000006900000000, -0.0005304400000000 ] - [ 0.0018031200000000, 0.0022318700000000, 0.0039534500000000 ] - [ 0.0018079300000000, -0.0022094200000000, -0.0030517900000000 ] - [ -0.0007386600000000, 0.0000048800000000, 0.0004358900000000 ] - [ -0.0020406600000000, 0.0000056500000000, 0.0004317100000000 ] - [ -0.0000004100000000, -0.0000010800000000, 0.0005033300000000 ] - [ -0.0000003900000000, 0.0000013400000000, 0.0005047000000000 ] - [ -0.0000020300000000, 0.0000001200000000, 0.0005039900000000 ] - [ 0.0000016700000000, 0.0000001300000000, 0.0005040700000000 ] - [ 0.0000000700000000, -0.0000004500000000, 0.0005227800000000 ] - [ 0.0000000300000000, 0.0000002000000000, 0.0005227500000000 ] - [ 0.0000002500000000, -0.0000001300000000, 0.0005228000000000 ] - [ 0.0000006200000000, -0.0000001400000000, 0.0005228700000000 ] - [ 0.0000000000000000, 0.0000000600000000, -0.0005769900000000 ] - [ -0.0000002800000000, 0.0000001100000000, -0.0005770400000000 ] - [ 0.0000001800000000, 0.0000004000000000, -0.0005769300000000 ] - [ 0.0000002100000000, -0.0000001200000000, -0.0005771100000000 ] - [ 0.0000336900000000, 0.0000000600000000, -0.0001114600000000 ] - [ 0.0000283600000000, -0.0000003200000000, -0.0001114000000000 ] - [ -0.0000474000000000, -0.0000431300000000, -0.0000688100000000 ] - [ -0.0000478600000000, 0.0000446200000000, -0.0001549700000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003571200000000 ] - [ 0.0000000000000000, 0.0000125300000000, -0.0003658200000000 ] - [ -0.0000108500000000, -0.0000062600000000, -0.0003658200000000 ] - [ 0.0000108500000000, -0.0000062600000000, -0.0003658200000000 ] - [ 0.0000000000000000, 0.0000001700000000, 0.0002994300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002995400000000 ] - [ 0.0000001400000000, -0.0000000800000000, 0.0002994300000000 ] - [ -0.0000001400000000, -0.0000000800000000, 0.0002994300000000 ] - [ 0.0000000000000000, -0.0000003400000000, -0.0005617200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005610300000000 ] - [ -0.0000002900000000, 0.0000001700000000, -0.0005617200000000 ] - [ 0.0000002900000000, 0.0000001700000000, -0.0005617200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000170700000000 ] - [ 0.0000000000000000, -0.0000026000000000, -0.0000173900000000 ] - [ 0.0000022500000000, 0.0000013000000000, -0.0000173900000000 ] - [ -0.0000022500000000, 0.0000013000000000, -0.0000173900000000 ] - [ 0.0000000000000000, 0.0000522200000000, -0.0003609800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006933300000000 ] - [ 0.0000452300000000, -0.0000261100000000, -0.0003609800000000 ] - [ -0.0000452300000000, -0.0000261100000000, -0.0003609800000000 ] - [ 0.0000000000000000, 0.0093101200000000, 0.0092595200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031274200000000 ] - [ 0.0080628000000000, -0.0046550600000000, 0.0092595200000000 ] - [ -0.0080628000000000, -0.0046550600000000, 0.0092595200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000971500000000 ] - [ 0.0000000000000000, 0.0001842300000000, -0.0002657800000000 ] - [ -0.0001595500000000, -0.0000921200000000, -0.0002657800000000 ] - [ 0.0001595500000000, -0.0000921200000000, -0.0002657800000000 ] - [ -0.0000011000000000, -0.0000006300000000, 0.0002602300000000 ] - [ 0.0000011000000000, -0.0000006300000000, 0.0002602300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002878300000000 ] - [ 0.0000000000000000, 0.0000012700000000, 0.0002602300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0376995300000000 ] - [ 0.0000000000000000, 0.0001358100000000, -0.0023822100000000 ] - [ -0.0001176200000000, -0.0000679100000000, -0.0023822100000000 ] - [ 0.0001176200000000, -0.0000679100000000, -0.0023822100000000 ] - [ 0.0000000000000000, -0.0000010500000000, -0.0004734900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000867900000000 ] - [ -0.0000009100000000, 0.0000005300000000, -0.0004734900000000 ] - [ 0.0000009100000000, 0.0000005300000000, -0.0004734900000000 ] - [ 0.0000000000000000, 0.0000012000000000, -0.0004786000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004841600000000 ] - [ 0.0000010400000000, -0.0000006000000000, -0.0004786000000000 ] - [ -0.0000010400000000, -0.0000006000000000, -0.0004786000000000 ] - [ -0.0000000700000000, -0.0000000400000000, 0.0006541500000000 ] - [ 0.0000000700000000, -0.0000000400000000, 0.0006541500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006531600000000 ] - [ 0.0000000000000000, 0.0000000800000000, 0.0006541500000000 ] - [ -0.0005893900000000, -0.0003402900000000, 0.0013427500000000 ] - [ 0.0005893900000000, -0.0003402900000000, 0.0013427500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006049000000000 ] - [ 0.0000000000000000, 0.0006805700000000, 0.0013427500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002560700000000 ] - [ 0.0000000000000000, -0.0000000100000000, -0.0002571100000000 ] - [ 0.0000000100000000, 0.0000000100000000, -0.0002571100000000 ] - [ -0.0000000100000000, 0.0000000100000000, -0.0002571100000000 ] - [ -0.0000646700000000, -0.0000373400000000, 0.0005333400000000 ] - [ 0.0000646700000000, -0.0000373400000000, 0.0005333400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004740700000000 ] - [ 0.0000000000000000, 0.0000746800000000, 0.0005333400000000 ] - [ 0.0000000000000000, 0.0000042100000000, -0.0004411100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004466100000000 ] - [ 0.0000036400000000, -0.0000021000000000, -0.0004411100000000 ] - [ -0.0000036400000000, -0.0000021000000000, -0.0004411100000000 ] - [ 0.0035014800000000, 0.0020215800000000, 0.0042411200000000 ] - [ -0.0035014800000000, 0.0020215800000000, 0.0042411200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005279900000000 ] - [ 0.0000000000000000, -0.0040431600000000, 0.0042411200000000 ] - [ -0.0000000700000000, -0.0000000400000000, 0.0005926500000000 ] - [ 0.0000000700000000, -0.0000000400000000, 0.0005926500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005942700000000 ] - [ 0.0000000000000000, 0.0000000800000000, 0.0005926500000000 ] - [ 0.0000001300000000, 0.0000000800000000, 0.0006118200000000 ] - [ -0.0000001300000000, 0.0000000800000000, 0.0006118200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006110600000000 ] - [ 0.0000000000000000, -0.0000001500000000, 0.0006118200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004863300000000 ] - [ 0.0000000000000000, 0.0000000700000000, -0.0004867800000000 ] - [ -0.0000000600000000, -0.0000000400000000, -0.0004867800000000 ] - [ 0.0000000600000000, -0.0000000400000000, -0.0004867800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001093400000000 ] - [ 0.0000000000000000, 0.0001844200000000, 0.0000194000000000 ] - [ -0.0001597100000000, -0.0000922100000000, 0.0000194000000000 ] - [ 0.0001597100000000, -0.0000922100000000, 0.0000194000000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0000113300000000 ] - [ 0.0000000000000000, -0.0000127600000000, -0.0000026500000000 ] - [ 0.0000110500000000, 0.0000063800000000, -0.0000026500000000 ] - [ -0.0000110500000000, 0.0000063800000000, -0.0000026500000000 ] - [ 0.0000000000000000, -0.0000001300000000, 0.0006587900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006585800000000 ] - [ -0.0000001100000000, 0.0000000600000000, 0.0006587900000000 ] - [ 0.0000001100000000, 0.0000000600000000, 0.0006587900000000 ] - [ 0.0000000000000000, 0.0000004000000000, -0.0002009700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002016700000000 ] - [ 0.0000003500000000, -0.0000002000000000, -0.0002009700000000 ] - [ -0.0000003500000000, -0.0000002000000000, -0.0002009700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003419400000000 ] - [ 0.0000000000000000, 0.0000026300000000, 0.0003421500000000 ] - [ -0.0000022800000000, -0.0000013200000000, 0.0003421500000000 ] - [ 0.0000022800000000, -0.0000013200000000, 0.0003421500000000 ] - [ 0.0000000000000000, -0.0000537600000000, -0.0002843000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000565900000000 ] - [ -0.0000465600000000, 0.0000268800000000, -0.0002843000000000 ] - [ 0.0000465600000000, 0.0000268800000000, -0.0002843000000000 ] - [ 0.0000000000000000, -0.0090319900000000, -0.0087012800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026547100000000 ] - [ -0.0078219300000000, 0.0045159900000000, -0.0087012800000000 ] - [ 0.0078219300000000, 0.0045159900000000, -0.0087012800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000200300000000 ] - [ 0.0000000000000000, -0.0001830500000000, 0.0001871900000000 ] - [ 0.0001585200000000, 0.0000915200000000, 0.0001871900000000 ] - [ -0.0001585200000000, 0.0000915200000000, 0.0001871900000000 ] - [ 0.0000010800000000, 0.0000006200000000, 0.0000917100000000 ] - [ -0.0000010800000000, 0.0000006200000000, 0.0000917100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000633000000000 ] - [ 0.0000000000000000, -0.0000012400000000, 0.0000917100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0359822100000000 ] - [ 0.0000000000000000, -0.0001426000000000, 0.0011065800000000 ] - [ 0.0001235000000000, 0.0000713000000000, 0.0011065800000000 ] - [ -0.0001235000000000, 0.0000713000000000, 0.0011065800000000 ] - [ 0.0000000000000000, 0.0000009000000000, -0.0004781900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008633300000000 ] - [ 0.0000007800000000, -0.0000004500000000, -0.0004781900000000 ] - [ -0.0000007800000000, -0.0000004500000000, -0.0004781900000000 ] - [ 0.0000000000000000, -0.0000011600000000, -0.0006613600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006558400000000 ] - [ -0.0000010000000000, 0.0000005800000000, -0.0006613600000000 ] - [ 0.0000010000000000, 0.0000005800000000, -0.0006613600000000 ] - [ 0.0000000500000000, 0.0000000300000000, 0.0004734300000000 ] - [ -0.0000000500000000, 0.0000000300000000, 0.0004734300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004745000000000 ] - [ 0.0000000000000000, -0.0000000600000000, 0.0004734300000000 ] - [ 0.0006089700000000, 0.0003515900000000, -0.0000197900000000 ] - [ -0.0006089700000000, 0.0003515900000000, -0.0000197900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007432300000000 ] - [ 0.0000000000000000, -0.0007031800000000, -0.0000197900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004357700000000 ] - [ 0.0000000000000000, 0.0000000100000000, -0.0004346700000000 ] - [ -0.0000000100000000, 0.0000000000000000, -0.0004346700000000 ] - [ 0.0000000100000000, 0.0000000000000000, -0.0004346700000000 ] - [ 0.0000642600000000, 0.0000371000000000, 0.0003268000000000 ] - [ -0.0000642600000000, 0.0000371000000000, 0.0003268000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003854600000000 ] - [ 0.0000000000000000, -0.0000742100000000, 0.0003268000000000 ] - [ 0.0000000000000000, -0.0000043800000000, -0.0006213900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006154500000000 ] - [ -0.0000037900000000, 0.0000021900000000, -0.0006213900000000 ] - [ 0.0000037900000000, 0.0000021900000000, -0.0006213900000000 ] - [ -0.0034501500000000, -0.0019919400000000, -0.0033035600000000 ] - [ 0.0034501500000000, -0.0019919400000000, -0.0033035600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014006000000000 ] - [ 0.0000000000000000, 0.0039838900000000, -0.0033035600000000 ] - [ 0.0000000600000000, 0.0000000400000000, 0.0004141400000000 ] - [ -0.0000000600000000, 0.0000000400000000, 0.0004141400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004124500000000 ] - [ 0.0000000000000000, -0.0000000700000000, 0.0004141400000000 ] - [ -0.0000000900000000, -0.0000000500000000, 0.0004321500000000 ] - [ 0.0000000900000000, -0.0000000500000000, 0.0004321500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004328800000000 ] - [ 0.0000000000000000, 0.0000001000000000, 0.0004321500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006674700000000 ] - [ 0.0000000000000000, -0.0000000500000000, -0.0006670400000000 ] - [ 0.0000000400000000, 0.0000000200000000, -0.0006670400000000 ] - [ -0.0000000400000000, 0.0000000200000000, -0.0006670400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001105400000000 ] - [ 0.0000000000000000, -0.0001894200000000, -0.0002429800000000 ] - [ 0.0001640500000000, 0.0000947100000000, -0.0002429800000000 ] - [ -0.0001640500000000, 0.0000947100000000, -0.0002429800000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000002900000000, -0.0000000100000000, -0.0001846500000000 ] - [ -0.0000001400000000, 0.0000000100000000, -0.0001846000000000 ] - [ -0.0000002200000000, -0.0000000300000000, -0.0001848800000000 ] - [ -0.0000002700000000, -0.0000000100000000, -0.0001844100000000 ] - [ -0.0000000400000000, -0.0000001800000000, 0.0004785800000000 ] - [ -0.0000004400000000, -0.0000001500000000, 0.0004785800000000 ] - [ -0.0000004300000000, 0.0000000000000000, 0.0004785600000000 ] - [ -0.0000004300000000, -0.0000000200000000, 0.0004785200000000 ] - [ 0.0000045300000000, 0.0000000400000000, -0.0003817600000000 ] - [ -0.0000039000000000, -0.0000000300000000, -0.0003818200000000 ] - [ -0.0000004500000000, 0.0000019400000000, -0.0003802900000000 ] - [ -0.0000005600000000, -0.0000019800000000, -0.0003832600000000 ] - [ 0.0001408800000000, 0.0000000300000000, 0.0001619600000000 ] - [ -0.0001110200000000, -0.0000001500000000, 0.0001619000000000 ] - [ -0.0000121100000000, 0.0000884500000000, 0.0000683200000000 ] - [ -0.0000123600000000, -0.0000883100000000, 0.0002553900000000 ] - [ -0.0000024400000000, -0.0000000700000000, -0.0003213500000000 ] - [ 0.0000013000000000, -0.0000001100000000, -0.0003213800000000 ] - [ 0.0000001300000000, -0.0000006900000000, -0.0003221300000000 ] - [ 0.0000000500000000, 0.0000007400000000, -0.0003207100000000 ] - [ -0.0000276900000000, -0.0000001300000000, 0.0002321100000000 ] - [ -0.0000822100000000, -0.0000007700000000, 0.0002319300000000 ] - [ 0.0000196900000000, 0.0000593000000000, 0.0002435400000000 ] - [ 0.0000183700000000, -0.0000575900000000, 0.0002217200000000 ] - [ 0.0002304900000000, 0.0000132600000000, -0.0000480800000000 ] - [ -0.0009382900000000, 0.0000061800000000, -0.0000449600000000 ] - [ 0.0057156300000000, -0.0031433300000000, -0.0060559500000000 ] - [ 0.0059758000000000, 0.0033417700000000, 0.0062517200000000 ] - [ -0.0000004300000000, 0.0000005000000000, 0.0001762800000000 ] - [ -0.0000004100000000, -0.0000002000000000, 0.0001762800000000 ] - [ 0.0000002000000000, 0.0000001300000000, 0.0001762900000000 ] - [ -0.0000002400000000, 0.0000001600000000, 0.0001763700000000 ] - [ -0.0000073200000000, 0.0000000400000000, -0.0006426100000000 ] - [ 0.0001245400000000, 0.0000001200000000, -0.0006431400000000 ] - [ -0.0000162200000000, 0.0000051400000000, -0.0006430700000000 ] - [ -0.0000159000000000, -0.0000049600000000, -0.0006413400000000 ] - [ -0.0273603600000000, -0.0001849600000000, -0.0007419900000000 ] - [ 0.0106328600000000, -0.0000056900000000, -0.0004787500000000 ] - [ 0.0019679100000000, -0.0049932400000000, -0.0003605600000000 ] - [ 0.0019778000000000, 0.0050061700000000, -0.0005895100000000 ] - [ 0.0000341700000000, -0.0000003000000000, -0.0005695400000000 ] - [ 0.0000289000000000, -0.0000004800000000, -0.0005699700000000 ] - [ -0.0000471700000000, -0.0000444100000000, -0.0004075800000000 ] - [ -0.0000473600000000, 0.0000435500000000, -0.0007316200000000 ] - [ 0.0000000800000000, -0.0000005900000000, 0.0005655700000000 ] - [ 0.0000000900000000, 0.0000003100000000, 0.0005635000000000 ] - [ -0.0000006900000000, -0.0000001200000000, 0.0005645800000000 ] - [ 0.0000013800000000, -0.0000001000000000, 0.0005646200000000 ] - [ 0.0000022000000000, -0.0000014300000000, 0.0006751600000000 ] - [ 0.0000022600000000, 0.0000011800000000, 0.0006701800000000 ] - [ -0.0000000300000000, -0.0000001400000000, 0.0006728000000000 ] - [ -0.0000018200000000, -0.0000001100000000, 0.0006727600000000 ] - [ 0.0000005100000000, 0.0000002700000000, -0.0003462200000000 ] - [ -0.0000007700000000, 0.0000002800000000, -0.0003461800000000 ] - [ -0.0000009600000000, 0.0000011300000000, -0.0003505900000000 ] - [ -0.0000009300000000, -0.0000005400000000, -0.0003416500000000 ] - [ 0.0018217000000000, -0.0022168500000000, 0.0039544800000000 ] - [ 0.0018264700000000, 0.0021946100000000, -0.0030661200000000 ] - [ -0.0019962600000000, -0.0000056700000000, 0.0004249800000000 ] - [ -0.0007219800000000, -0.0000047900000000, 0.0004291800000000 ] - [ 0.0000005900000000, -0.0000001000000000, -0.0005311800000000 ] - [ 0.0000003300000000, -0.0000000700000000, -0.0005311300000000 ] - [ 0.0000007600000000, 0.0000001400000000, -0.0005312000000000 ] - [ 0.0000007700000000, -0.0000003900000000, -0.0005310100000000 ] - [ 0.0004679500000000, -0.0002810400000000, -0.0001950500000000 ] - [ 0.0004628900000000, 0.0002741300000000, 0.0010556200000000 ] - [ -0.0000153100000000, -0.0000004300000000, 0.0004375000000000 ] - [ -0.0000214200000000, -0.0000006700000000, 0.0004377700000000 ] - [ 0.0000056800000000, 0.0000364200000000, 0.0005165000000000 ] - [ 0.0000057100000000, -0.0000362100000000, 0.0004907000000000 ] - [ 0.0000685600000000, 0.0000001500000000, 0.0005037200000000 ] - [ -0.0000894000000000, 0.0000001700000000, 0.0005037000000000 ] - [ 0.0000007100000000, -0.0000003200000000, 0.0005223000000000 ] - [ 0.0000006700000000, 0.0000000500000000, 0.0005225200000000 ] - [ 0.0000003500000000, -0.0000001200000000, 0.0005224300000000 ] - [ -0.0000001300000000, -0.0000001400000000, 0.0005225400000000 ] - [ -0.0000008800000000, 0.0000000500000000, -0.0005765400000000 ] - [ -0.0000005600000000, 0.0000001000000000, -0.0005766200000000 ] - [ -0.0000004000000000, -0.0000001500000000, -0.0005767600000000 ] - [ -0.0000003600000000, 0.0000004200000000, -0.0005764000000000 ] - [ 0.0000004600000000, 0.0000001800000000, -0.0001111600000000 ] - [ -0.0000010100000000, 0.0000001800000000, -0.0001110900000000 ] - [ -0.0000008600000000, 0.0000010100000000, -0.0001116800000000 ] - [ -0.0000008600000000, -0.0000005100000000, -0.0001106500000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000700000000, -0.0003618000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003612600000000 ] - [ 0.0000000600000000, -0.0000000300000000, -0.0003618000000000 ] - [ -0.0000000600000000, -0.0000000300000000, -0.0003618000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003014900000000 ] - [ 0.0000000000000000, -0.0000001500000000, 0.0003019700000000 ] - [ 0.0000001300000000, 0.0000000800000000, 0.0003019700000000 ] - [ -0.0000001300000000, 0.0000000800000000, 0.0003019700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005607800000000 ] - [ 0.0000000000000000, 0.0000003900000000, -0.0005590300000000 ] - [ -0.0000003400000000, -0.0000002000000000, -0.0005590300000000 ] - [ 0.0000003400000000, -0.0000002000000000, -0.0005590300000000 ] - [ 0.0000000000000000, -0.0000714300000000, -0.0000232900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000003700000000 ] - [ -0.0000618600000000, 0.0000357100000000, -0.0000232900000000 ] - [ 0.0000618600000000, 0.0000357100000000, -0.0000232900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005067200000000 ] - [ 0.0000000000000000, 0.0000053000000000, -0.0004960600000000 ] - [ -0.0000045900000000, -0.0000026500000000, -0.0004960600000000 ] - [ 0.0000045900000000, -0.0000026500000000, -0.0004960600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000499400000000 ] - [ 0.0000000000000000, 0.0002880800000000, 0.0001648900000000 ] - [ -0.0002494900000000, -0.0001440400000000, 0.0001648900000000 ] - [ 0.0002494900000000, -0.0001440400000000, 0.0001648900000000 ] - [ 0.0000000000000000, -0.0092852000000000, 0.0089813100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028842400000000 ] - [ -0.0080412200000000, 0.0046426000000000, 0.0089813100000000 ] - [ 0.0080412200000000, 0.0046426000000000, 0.0089813100000000 ] - [ 0.0000001900000000, -0.0000001100000000, 0.0002655000000000 ] - [ -0.0000001900000000, -0.0000001100000000, 0.0002655000000000 ] - [ 0.0000000000000000, 0.0000002200000000, 0.0002655000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002657500000000 ] - [ 0.0000000000000000, -0.0000146400000000, -0.0006395600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002585900000000 ] - [ -0.0000126800000000, 0.0000073200000000, -0.0006395600000000 ] - [ 0.0000126800000000, 0.0000073200000000, -0.0006395600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0376281400000000 ] - [ 0.0000000000000000, -0.0001285300000000, -0.0022179000000000 ] - [ 0.0001113100000000, 0.0000642700000000, -0.0022179000000000 ] - [ -0.0001113100000000, 0.0000642700000000, -0.0022179000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005696600000000 ] - [ 0.0000000000000000, 0.0000498700000000, -0.0004388200000000 ] - [ -0.0000431900000000, -0.0000249400000000, -0.0004388200000000 ] - [ 0.0000431900000000, -0.0000249400000000, -0.0004388200000000 ] - [ 0.0000007800000000, -0.0000004500000000, 0.0006534200000000 ] - [ -0.0000007800000000, -0.0000004500000000, 0.0006534200000000 ] - [ 0.0000000000000000, 0.0000009000000000, 0.0006534200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006520700000000 ] - [ 0.0000009100000000, -0.0000005300000000, 0.0007637400000000 ] - [ -0.0000009100000000, -0.0000005300000000, 0.0007637400000000 ] - [ 0.0000000000000000, 0.0000010600000000, 0.0007637400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007538400000000 ] - [ 0.0000000000000000, 0.0000005300000000, -0.0002573500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002580000000000 ] - [ 0.0000004600000000, -0.0000002700000000, -0.0002573500000000 ] - [ -0.0000004600000000, -0.0000002700000000, -0.0002573500000000 ] - [ 0.0035387500000000, -0.0020431000000000, 0.0042309800000000 ] - [ -0.0035387500000000, -0.0020431000000000, 0.0042309800000000 ] - [ 0.0000000000000000, 0.0040862000000000, 0.0042309800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005187200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004423800000000 ] - [ 0.0000000000000000, 0.0000002200000000, -0.0004427500000000 ] - [ -0.0000001900000000, -0.0000001100000000, -0.0004427500000000 ] - [ 0.0000001900000000, -0.0000001100000000, -0.0004427500000000 ] - [ -0.0004761700000000, 0.0002749200000000, 0.0010929300000000 ] - [ 0.0004761700000000, 0.0002749200000000, 0.0010929300000000 ] - [ 0.0000000000000000, -0.0005498300000000, 0.0010929300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003704100000000 ] - [ 0.0000136700000000, -0.0000078900000000, 0.0005740800000000 ] - [ -0.0000136700000000, -0.0000078900000000, 0.0005740800000000 ] - [ 0.0000000000000000, 0.0000157800000000, 0.0005740800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006485300000000 ] - [ -0.0000000500000000, 0.0000000300000000, 0.0006118800000000 ] - [ 0.0000000500000000, 0.0000000300000000, 0.0006118800000000 ] - [ 0.0000000000000000, -0.0000000600000000, 0.0006118800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006109200000000 ] - [ 0.0000000000000000, -0.0000003300000000, -0.0004880900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004888400000000 ] - [ -0.0000002900000000, 0.0000001600000000, -0.0004880900000000 ] - [ 0.0000002900000000, 0.0000001600000000, -0.0004880900000000 ] - [ 0.0000000000000000, 0.0000051000000000, -0.0000230000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000236500000000 ] - [ 0.0000044200000000, -0.0000025500000000, -0.0000230000000000 ] - [ -0.0000044200000000, -0.0000025500000000, -0.0000230000000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000000900000000, -0.0000065400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000070200000000 ] - [ -0.0000000800000000, 0.0000000500000000, -0.0000065400000000 ] - [ 0.0000000800000000, 0.0000000500000000, -0.0000065400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006568600000000 ] - [ 0.0000000000000000, 0.0000001700000000, 0.0006566000000000 ] - [ -0.0000001500000000, -0.0000000800000000, 0.0006566000000000 ] - [ 0.0000001500000000, -0.0000000800000000, 0.0006566000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002017500000000 ] - [ 0.0000000000000000, -0.0000004100000000, -0.0002034300000000 ] - [ 0.0000003500000000, 0.0000002000000000, -0.0002034300000000 ] - [ -0.0000003500000000, 0.0000002000000000, -0.0002034300000000 ] - [ 0.0000000000000000, 0.0000707700000000, 0.0003484000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003246200000000 ] - [ 0.0000612900000000, -0.0000353800000000, 0.0003484000000000 ] - [ -0.0000612900000000, -0.0000353800000000, 0.0003484000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001340800000000 ] - [ 0.0000000000000000, -0.0000055300000000, -0.0001454300000000 ] - [ 0.0000047900000000, 0.0000027600000000, -0.0001454300000000 ] - [ -0.0000047900000000, 0.0000027600000000, -0.0001454300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004157800000000 ] - [ 0.0000000000000000, -0.0002956500000000, 0.0002991200000000 ] - [ 0.0002560400000000, 0.0001478200000000, 0.0002991200000000 ] - [ -0.0002560400000000, 0.0001478200000000, 0.0002991200000000 ] - [ 0.0000000000000000, 0.0090065100000000, -0.0089674800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029562400000000 ] - [ 0.0077998700000000, -0.0045032500000000, -0.0089674800000000 ] - [ -0.0077998700000000, -0.0045032500000000, -0.0089674800000000 ] - [ -0.0000002300000000, 0.0000001300000000, 0.0000859200000000 ] - [ 0.0000002300000000, 0.0000001300000000, 0.0000859200000000 ] - [ 0.0000000000000000, -0.0000002600000000, 0.0000859200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000859200000000 ] - [ 0.0000000000000000, 0.0000150900000000, -0.0006435600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010344200000000 ] - [ 0.0000130700000000, -0.0000075500000000, -0.0006435600000000 ] - [ -0.0000130700000000, -0.0000075500000000, -0.0006435600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0362251100000000 ] - [ 0.0000000000000000, 0.0001355700000000, 0.0012782700000000 ] - [ -0.0001174100000000, -0.0000677900000000, 0.0012782700000000 ] - [ 0.0001174100000000, -0.0000677900000000, 0.0012782700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005703700000000 ] - [ 0.0000000000000000, -0.0000498400000000, -0.0007005500000000 ] - [ 0.0000431600000000, 0.0000249200000000, -0.0007005500000000 ] - [ -0.0000431600000000, 0.0000249200000000, -0.0007005500000000 ] - [ -0.0000007300000000, 0.0000004200000000, 0.0004737800000000 ] - [ 0.0000007300000000, 0.0000004200000000, 0.0004737800000000 ] - [ 0.0000000000000000, -0.0000008400000000, 0.0004737800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004753700000000 ] - [ -0.0000008900000000, 0.0000005200000000, 0.0005800900000000 ] - [ 0.0000008900000000, 0.0000005200000000, 0.0005800900000000 ] - [ 0.0000000000000000, -0.0000010300000000, 0.0005800900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005902100000000 ] - [ 0.0000000000000000, -0.0000005700000000, -0.0004335900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004330800000000 ] - [ -0.0000004900000000, 0.0000002800000000, -0.0004335900000000 ] - [ 0.0000004900000000, 0.0000002800000000, -0.0004335900000000 ] - [ -0.0034872400000000, 0.0020133600000000, -0.0033076000000000 ] - [ 0.0034872400000000, 0.0020133600000000, -0.0033076000000000 ] - [ 0.0000000000000000, -0.0040267200000000, -0.0033076000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013781900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006192500000000 ] - [ 0.0000000000000000, -0.0000001400000000, -0.0006186800000000 ] - [ 0.0000001200000000, 0.0000000700000000, -0.0006186800000000 ] - [ -0.0000001200000000, 0.0000000700000000, -0.0006186800000000 ] - [ 0.0004915200000000, -0.0002837800000000, -0.0002399900000000 ] - [ -0.0004915200000000, -0.0002837800000000, -0.0002399900000000 ] - [ 0.0000000000000000, 0.0005675600000000, -0.0002399900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005066600000000 ] - [ -0.0000136400000000, 0.0000078700000000, 0.0004324400000000 ] - [ 0.0000136400000000, 0.0000078700000000, 0.0004324400000000 ] - [ 0.0000000000000000, -0.0000157500000000, 0.0004324400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003585600000000 ] - [ 0.0000000100000000, 0.0000000000000000, 0.0004319400000000 ] - [ -0.0000000100000000, 0.0000000000000000, 0.0004319400000000 ] - [ 0.0000000000000000, 0.0000000100000000, 0.0004319400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004327900000000 ] - [ 0.0000000000000000, 0.0000003800000000, -0.0006651100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006641900000000 ] - [ 0.0000003300000000, -0.0000001900000000, -0.0006651100000000 ] - [ -0.0000003300000000, -0.0000001900000000, -0.0006651100000000 ] - [ 0.0000000000000000, -0.0000052500000000, -0.0001985700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001977500000000 ] - [ -0.0000045400000000, 0.0000026200000000, -0.0001985700000000 ] - [ 0.0000045400000000, 0.0000026200000000, -0.0001985700000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000001400000000, -0.0000000200000000, -0.0001847600000000 ] - [ -0.0000002100000000, 0.0000000200000000, -0.0001847100000000 ] - [ 0.0000002600000000, -0.0000002100000000, -0.0001843700000000 ] - [ 0.0000002300000000, 0.0000001900000000, -0.0001851400000000 ] - [ -0.0000026100000000, -0.0000001900000000, 0.0004784800000000 ] - [ 0.0000031000000000, -0.0000001600000000, 0.0004784700000000 ] - [ -0.0000005000000000, -0.0000020900000000, 0.0004765700000000 ] - [ -0.0000005100000000, 0.0000020800000000, 0.0004802900000000 ] - [ 0.0000056400000000, -0.0000001200000000, -0.0003818600000000 ] - [ 0.0000064800000000, 0.0000000700000000, -0.0003816800000000 ] - [ -0.0000210600000000, -0.0000157300000000, -0.0003325800000000 ] - [ -0.0000207700000000, 0.0000159200000000, -0.0004312300000000 ] - [ 0.0002264600000000, 0.0000131800000000, 0.0001532800000000 ] - [ -0.0009400600000000, 0.0000060900000000, 0.0001564800000000 ] - [ 0.0057121300000000, -0.0031437100000000, -0.0058638900000000 ] - [ 0.0059725100000000, 0.0033422100000000, 0.0064627900000000 ] - [ 0.0000006400000000, -0.0000000500000000, -0.0003214200000000 ] - [ 0.0000011600000000, -0.0000000900000000, -0.0003221300000000 ] - [ 0.0000003700000000, -0.0000004700000000, -0.0003217300000000 ] - [ 0.0000003000000000, 0.0000005000000000, -0.0003218700000000 ] - [ 0.0000015400000000, -0.0000001000000000, 0.0002327500000000 ] - [ -0.0000018100000000, -0.0000000500000000, 0.0002328000000000 ] - [ 0.0000001900000000, 0.0000010800000000, 0.0002331200000000 ] - [ 0.0000003100000000, -0.0000012800000000, 0.0002324600000000 ] - [ -0.0000248200000000, 0.0000003600000000, -0.0000406400000000 ] - [ -0.0002383900000000, 0.0000000100000000, -0.0000396700000000 ] - [ -0.0000047400000000, -0.0000113000000000, -0.0000381100000000 ] - [ -0.0000056900000000, 0.0000113100000000, -0.0000426200000000 ] - [ 0.0000002200000000, -0.0000000700000000, 0.0001764200000000 ] - [ 0.0000002400000000, 0.0000003600000000, 0.0001767700000000 ] - [ -0.0000001200000000, 0.0000001300000000, 0.0001766000000000 ] - [ -0.0000005500000000, 0.0000001600000000, 0.0001766700000000 ] - [ 0.0000002300000000, 0.0000000800000000, -0.0006429300000000 ] - [ -0.0000006900000000, 0.0000000600000000, -0.0006429500000000 ] - [ -0.0000007500000000, 0.0000006200000000, -0.0006420000000000 ] - [ -0.0000007600000000, -0.0000005400000000, -0.0006439800000000 ] - [ 0.0000342800000000, 0.0000001300000000, -0.0004758700000000 ] - [ 0.0000289000000000, 0.0000004900000000, -0.0004758900000000 ] - [ -0.0000474100000000, -0.0000444200000000, -0.0005195000000000 ] - [ -0.0000469700000000, 0.0000434500000000, -0.0004332400000000 ] - [ -0.0273718700000000, -0.0001853100000000, -0.0008281400000000 ] - [ 0.0106470900000000, -0.0000059300000000, -0.0005736600000000 ] - [ 0.0019820300000000, -0.0049935200000000, -0.0004491500000000 ] - [ 0.0019922000000000, 0.0050058700000000, -0.0006900400000000 ] - [ 0.0000087100000000, -0.0000298000000000, 0.0005328600000000 ] - [ 0.0000085300000000, 0.0000296600000000, 0.0005966900000000 ] - [ -0.0000428600000000, -0.0000001500000000, 0.0005647600000000 ] - [ 0.0000278000000000, -0.0000001900000000, 0.0005649000000000 ] - [ 0.0000000200000000, 0.0000001900000000, 0.0006728800000000 ] - [ 0.0000000700000000, -0.0000004500000000, 0.0006729800000000 ] - [ 0.0000006000000000, -0.0000001400000000, 0.0006730200000000 ] - [ 0.0000002500000000, -0.0000001100000000, 0.0006729900000000 ] - [ -0.0000072700000000, 0.0000002000000000, -0.0003463200000000 ] - [ 0.0001246500000000, 0.0000000800000000, -0.0003470000000000 ] - [ -0.0000160300000000, 0.0000052400000000, -0.0003337500000000 ] - [ -0.0000159500000000, -0.0000048300000000, -0.0003594300000000 ] - [ 0.0006105200000000, -0.0003540800000000, -0.0001761300000000 ] - [ 0.0006046100000000, 0.0003487100000000, 0.0010245400000000 ] - [ -0.0000010200000000, -0.0000001400000000, 0.0004315600000000 ] - [ -0.0000154700000000, -0.0000000500000000, 0.0004317900000000 ] - [ 0.0000006200000000, -0.0000000900000000, -0.0005316400000000 ] - [ 0.0000002100000000, -0.0000000600000000, -0.0005315900000000 ] - [ 0.0000007500000000, 0.0000002100000000, -0.0005317200000000 ] - [ 0.0000007500000000, -0.0000004600000000, -0.0005314100000000 ] - [ 0.0000006900000000, -0.0000012400000000, 0.0004367200000000 ] - [ 0.0000006900000000, 0.0000010100000000, 0.0004381100000000 ] - [ -0.0000012200000000, -0.0000001400000000, 0.0004373500000000 ] - [ -0.0000026800000000, -0.0000001600000000, 0.0004373800000000 ] - [ 0.0018027500000000, -0.0022318800000000, 0.0040200900000000 ] - [ 0.0018075700000000, 0.0022094600000000, -0.0029851700000000 ] - [ -0.0020411100000000, -0.0000057000000000, 0.0004983300000000 ] - [ -0.0007390700000000, -0.0000048900000000, 0.0005026200000000 ] - [ 0.0000000400000000, 0.0000011000000000, 0.0005220600000000 ] - [ 0.0000000000000000, -0.0000013600000000, 0.0005234700000000 ] - [ 0.0000021300000000, -0.0000001200000000, 0.0005227900000000 ] - [ -0.0000015800000000, -0.0000001400000000, 0.0005228800000000 ] - [ 0.0000002700000000, 0.0000000600000000, -0.0005770900000000 ] - [ -0.0000004800000000, 0.0000001000000000, -0.0005771400000000 ] - [ -0.0000008600000000, 0.0000007800000000, -0.0005733400000000 ] - [ -0.0000008500000000, -0.0000005200000000, -0.0005808900000000 ] - [ -0.0000008100000000, 0.0000002000000000, -0.0001116000000000 ] - [ -0.0000002600000000, 0.0000001800000000, -0.0001115300000000 ] - [ -0.0000003900000000, -0.0000000100000000, -0.0001112000000000 ] - [ -0.0000003900000000, 0.0000004900000000, -0.0001120200000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000004200000000, -0.0003639400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003631300000000 ] - [ 0.0000003600000000, -0.0000002100000000, -0.0003639400000000 ] - [ -0.0000003600000000, -0.0000002100000000, -0.0003639400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002991000000000 ] - [ 0.0000000000000000, 0.0000027000000000, 0.0002991800000000 ] - [ -0.0000023400000000, -0.0000013500000000, 0.0002991800000000 ] - [ 0.0000023400000000, -0.0000013500000000, 0.0002991800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004404300000000 ] - [ 0.0000000000000000, -0.0001841300000000, -0.0006079300000000 ] - [ 0.0001594600000000, 0.0000920700000000, -0.0006079300000000 ] - [ -0.0001594600000000, 0.0000920700000000, -0.0006079300000000 ] - [ 0.0000000000000000, -0.0093109800000000, 0.0091885000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030560300000000 ] - [ -0.0080635400000000, 0.0046554900000000, 0.0091885000000000 ] - [ 0.0080635400000000, 0.0046554900000000, 0.0091885000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005029300000000 ] - [ 0.0000000000000000, 0.0000000300000000, -0.0005013000000000 ] - [ -0.0000000300000000, -0.0000000200000000, -0.0005013000000000 ] - [ 0.0000000300000000, -0.0000000200000000, -0.0005013000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000601700000000 ] - [ 0.0000000000000000, -0.0000125000000000, 0.0000518300000000 ] - [ 0.0000108200000000, 0.0000062500000000, 0.0000518300000000 ] - [ -0.0000108200000000, 0.0000062500000000, 0.0000518300000000 ] - [ 0.0000000000000000, -0.0000522600000000, -0.0000789400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004119000000000 ] - [ -0.0000452600000000, 0.0000261300000000, -0.0000789400000000 ] - [ 0.0000452600000000, 0.0000261300000000, -0.0000789400000000 ] - [ -0.0000000800000000, 0.0000000500000000, 0.0002664400000000 ] - [ 0.0000000800000000, 0.0000000500000000, 0.0002664400000000 ] - [ 0.0000000000000000, -0.0000000900000000, 0.0002664400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002655900000000 ] - [ 0.0000000000000000, -0.0000042100000000, -0.0005521900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005577900000000 ] - [ -0.0000036400000000, 0.0000021000000000, -0.0005521900000000 ] - [ 0.0000036400000000, 0.0000021000000000, -0.0005521900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004743800000000 ] - [ 0.0000000000000000, -0.0001847100000000, -0.0003455500000000 ] - [ 0.0001599600000000, 0.0000923500000000, -0.0003455500000000 ] - [ -0.0001599600000000, 0.0000923500000000, -0.0003455500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0376247600000000 ] - [ 0.0000000000000000, -0.0001356600000000, -0.0023095100000000 ] - [ 0.0001174800000000, 0.0000678300000000, -0.0023095100000000 ] - [ -0.0001174800000000, 0.0000678300000000, -0.0023095100000000 ] - [ -0.0000645900000000, 0.0000372900000000, 0.0006674500000000 ] - [ 0.0000645900000000, 0.0000372900000000, 0.0006674500000000 ] - [ 0.0000000000000000, -0.0000745800000000, 0.0006674500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006084700000000 ] - [ 0.0000001400000000, -0.0000000800000000, 0.0007628100000000 ] - [ -0.0000001400000000, -0.0000000800000000, 0.0007628100000000 ] - [ 0.0000000000000000, 0.0000001600000000, 0.0007628100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007620400000000 ] - [ 0.0000000000000000, 0.0000010300000000, -0.0003444800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000416500000000 ] - [ 0.0000008900000000, -0.0000005100000000, -0.0003444800000000 ] - [ -0.0000008900000000, -0.0000005100000000, -0.0003444800000000 ] - [ -0.0005909800000000, 0.0003412000000000, 0.0011027200000000 ] - [ 0.0005909800000000, 0.0003412000000000, 0.0011027200000000 ] - [ 0.0000000000000000, -0.0006824000000000, 0.0011027200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003630300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004418600000000 ] - [ 0.0000000000000000, 0.0000000700000000, -0.0004428500000000 ] - [ -0.0000000600000000, -0.0000000400000000, -0.0004428500000000 ] - [ 0.0000000600000000, -0.0000000400000000, -0.0004428500000000 ] - [ -0.0000010900000000, 0.0000006300000000, 0.0005211900000000 ] - [ 0.0000010900000000, 0.0000006300000000, 0.0005211900000000 ] - [ 0.0000000000000000, -0.0000012600000000, 0.0005211900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005489300000000 ] - [ 0.0035014900000000, -0.0020215900000000, 0.0043084900000000 ] - [ -0.0035014900000000, -0.0020215900000000, 0.0043084900000000 ] - [ 0.0000000000000000, 0.0040431700000000, 0.0043084900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004604900000000 ] - [ -0.0000000900000000, 0.0000000500000000, 0.0006119400000000 ] - [ 0.0000000900000000, 0.0000000500000000, 0.0006119400000000 ] - [ 0.0000000000000000, -0.0000001100000000, 0.0006119400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006135200000000 ] - [ 0.0000000000000000, -0.0000011500000000, -0.0004861100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004916400000000 ] - [ -0.0000010000000000, 0.0000005800000000, -0.0004861100000000 ] - [ 0.0000010000000000, 0.0000005800000000, -0.0004861100000000 ] - [ 0.0000000000000000, 0.0000003700000000, -0.0000230700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000232600000000 ] - [ 0.0000003200000000, -0.0000001800000000, -0.0000230700000000 ] - [ -0.0000003200000000, -0.0000001800000000, -0.0000230700000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000004000000000, -0.0000047900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000055200000000 ] - [ -0.0000003500000000, 0.0000002000000000, -0.0000047900000000 ] - [ 0.0000003500000000, 0.0000002000000000, -0.0000047900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006586000000000 ] - [ 0.0000000000000000, -0.0000026600000000, 0.0006586200000000 ] - [ 0.0000023000000000, 0.0000013300000000, 0.0006586200000000 ] - [ -0.0000023000000000, 0.0000013300000000, 0.0006586200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003214500000000 ] - [ 0.0000000000000000, 0.0001829100000000, -0.0001553600000000 ] - [ -0.0001584100000000, -0.0000914600000000, -0.0001553600000000 ] - [ 0.0001584100000000, -0.0000914600000000, -0.0001553600000000 ] - [ 0.0000000000000000, 0.0090324500000000, -0.0087725900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027258600000000 ] - [ 0.0078223300000000, -0.0045162200000000, -0.0087725900000000 ] - [ -0.0078223300000000, -0.0045162200000000, -0.0087725900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001392600000000 ] - [ 0.0000000000000000, -0.0000001400000000, -0.0001422500000000 ] - [ 0.0000001200000000, 0.0000000700000000, -0.0001422500000000 ] - [ -0.0000001200000000, 0.0000000700000000, -0.0001422500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004064500000000 ] - [ 0.0000000000000000, 0.0000127400000000, 0.0004148000000000 ] - [ -0.0000110300000000, -0.0000063700000000, 0.0004148000000000 ] - [ 0.0000110300000000, -0.0000063700000000, 0.0004148000000000 ] - [ 0.0000000000000000, 0.0000536300000000, -0.0000034100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003380600000000 ] - [ 0.0000464400000000, -0.0000268100000000, -0.0000034100000000 ] - [ -0.0000464400000000, -0.0000268100000000, -0.0000034100000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0000850200000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0000850200000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0000850200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000862600000000 ] - [ 0.0000000000000000, 0.0000043100000000, -0.0007336100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007278300000000 ] - [ 0.0000037300000000, -0.0000021500000000, -0.0007336100000000 ] - [ -0.0000037300000000, -0.0000021500000000, -0.0007336100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004747400000000 ] - [ 0.0000000000000000, 0.0001896400000000, -0.0006074200000000 ] - [ -0.0001642400000000, -0.0000948200000000, -0.0006074200000000 ] - [ 0.0001642400000000, -0.0000948200000000, -0.0006074200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0360824600000000 ] - [ 0.0000000000000000, 0.0001424900000000, 0.0011795600000000 ] - [ -0.0001234000000000, -0.0000712400000000, 0.0011795600000000 ] - [ 0.0001234000000000, -0.0000712400000000, 0.0011795600000000 ] - [ 0.0000642500000000, -0.0000370900000000, 0.0004604200000000 ] - [ -0.0000642500000000, -0.0000370900000000, 0.0004604200000000 ] - [ 0.0000000000000000, 0.0000741900000000, 0.0004604200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005192900000000 ] - [ -0.0000000600000000, 0.0000000300000000, 0.0005814600000000 ] - [ 0.0000000600000000, 0.0000000300000000, 0.0005814600000000 ] - [ 0.0000000000000000, -0.0000000700000000, 0.0005814600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005822800000000 ] - [ 0.0000000000000000, -0.0000009100000000, -0.0003488900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007339600000000 ] - [ -0.0000007900000000, 0.0000004600000000, -0.0003488900000000 ] - [ 0.0000007900000000, 0.0000004600000000, -0.0003488900000000 ] - [ 0.0006105900000000, -0.0003525200000000, -0.0002637700000000 ] - [ -0.0006105900000000, -0.0003525200000000, -0.0002637700000000 ] - [ 0.0000000000000000, 0.0007050400000000, -0.0002637700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005010200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006212400000000 ] - [ 0.0000000000000000, 0.0000000500000000, -0.0006199800000000 ] - [ -0.0000000400000000, -0.0000000300000000, -0.0006199800000000 ] - [ 0.0000000400000000, -0.0000000300000000, -0.0006199800000000 ] - [ 0.0000010800000000, -0.0000006200000000, 0.0003518000000000 ] - [ -0.0000010800000000, -0.0000006200000000, 0.0003518000000000 ] - [ 0.0000000000000000, 0.0000012400000000, 0.0003518000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003235000000000 ] - [ -0.0034502500000000, 0.0019920000000000, -0.0032380500000000 ] - [ 0.0034502500000000, 0.0019920000000000, -0.0032380500000000 ] - [ 0.0000000000000000, -0.0039840100000000, -0.0032380500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014664200000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0004318300000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0004318300000000 ] - [ 0.0000000000000000, 0.0000000300000000, 0.0004318300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004301000000000 ] - [ 0.0000000000000000, 0.0000012200000000, -0.0006679000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006622300000000 ] - [ 0.0000010500000000, -0.0000006100000000, -0.0006679000000000 ] - [ -0.0000010500000000, -0.0000006100000000, -0.0006679000000000 ] - [ 0.0000000000000000, -0.0000004000000000, -0.0001997800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001994700000000 ] - [ -0.0000003500000000, 0.0000002000000000, -0.0001997800000000 ] - [ 0.0000003500000000, 0.0000002000000000, -0.0001997800000000 ]- atom: 45 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000004000000000, 0.0000011500000000, -0.0001867000000000 ] - [ 0.0000003600000000, -0.0000011200000000, -0.0001842600000000 ] - [ 0.0000001600000000, -0.0000000200000000, -0.0001855200000000 ] - [ -0.0000015800000000, -0.0000000400000000, -0.0001854900000000 ] - [ -0.0000046200000000, -0.0000110000000000, 0.0004764600000000 ] - [ -0.0000053900000000, 0.0000106800000000, 0.0004803000000000 ] - [ -0.0000237500000000, 0.0000002300000000, 0.0004786300000000 ] - [ -0.0002379700000000, -0.0000000200000000, 0.0004777300000000 ] - [ 0.0056955900000000, -0.0031326600000000, 0.0056163600000000 ] - [ 0.0059554100000000, 0.0033307700000000, -0.0066562500000000 ] - [ 0.0002290500000000, 0.0000130900000000, -0.0003741300000000 ] - [ -0.0009391400000000, 0.0000061300000000, -0.0003772100000000 ] - [ -0.0000037000000000, 0.0000979100000000, 0.0000914900000000 ] - [ -0.0000037400000000, -0.0000979900000000, 0.0002306100000000 ] - [ 0.0002025800000000, -0.0000000600000000, 0.0001610300000000 ] - [ -0.0001733900000000, -0.0000000700000000, 0.0001610300000000 ] - [ -0.0000000700000000, -0.0000000200000000, -0.0003219300000000 ] - [ -0.0000001900000000, -0.0000001300000000, -0.0003224400000000 ] - [ -0.0000000100000000, 0.0000000300000000, -0.0003221700000000 ] - [ -0.0000001100000000, -0.0000000200000000, -0.0003222400000000 ] - [ 0.0000003500000000, -0.0000003300000000, 0.0002315900000000 ] - [ 0.0000003400000000, 0.0000001100000000, 0.0002324400000000 ] - [ -0.0000000600000000, -0.0000000800000000, 0.0002319900000000 ] - [ -0.0000000200000000, -0.0000000600000000, 0.0002320200000000 ] - [ -0.0000002400000000, -0.0000004300000000, -0.0000416100000000 ] - [ -0.0000003500000000, 0.0000005400000000, -0.0000391900000000 ] - [ 0.0000000500000000, 0.0000000500000000, -0.0000404700000000 ] - [ 0.0000005800000000, -0.0000000200000000, -0.0000404100000000 ] - [ 0.0000021100000000, 0.0000001400000000, 0.0001770000000000 ] - [ -0.0000008600000000, 0.0000001500000000, 0.0001771300000000 ] - [ -0.0000003200000000, 0.0000004400000000, 0.0001770800000000 ] - [ -0.0000003400000000, -0.0000001500000000, 0.0001771300000000 ] - [ 0.0000002900000000, 0.0000002700000000, -0.0006427200000000 ] - [ 0.0000002700000000, -0.0000001500000000, -0.0006424800000000 ] - [ -0.0000005200000000, 0.0000000500000000, -0.0006426600000000 ] - [ -0.0000000700000000, 0.0000000500000000, -0.0006426100000000 ] - [ 0.0000003200000000, -0.0000004700000000, -0.0004749100000000 ] - [ 0.0000002800000000, 0.0000004500000000, -0.0004763500000000 ] - [ -0.0000005100000000, 0.0000000200000000, -0.0004756400000000 ] - [ 0.0000014900000000, 0.0000000100000000, -0.0004757400000000 ] - [ 0.0000086700000000, -0.0000300200000000, -0.0006343800000000 ] - [ 0.0000087600000000, 0.0000294800000000, -0.0005052400000000 ] - [ -0.0000428200000000, -0.0000002300000000, -0.0005696800000000 ] - [ 0.0000279200000000, -0.0000001500000000, -0.0005697600000000 ] - [ -0.0273132200000000, -0.0001847500000000, 0.0008310400000000 ] - [ 0.0106139100000000, -0.0000058300000000, 0.0005689000000000 ] - [ 0.0019831000000000, -0.0049736700000000, 0.0004531400000000 ] - [ 0.0019932400000000, 0.0049861900000000, 0.0006764500000000 ] - [ 0.0000005000000000, -0.0000001500000000, 0.0006733900000000 ] - [ 0.0000002600000000, -0.0000001200000000, 0.0006734600000000 ] - [ 0.0000006700000000, 0.0000001300000000, 0.0006735600000000 ] - [ 0.0000007100000000, -0.0000003700000000, 0.0006734200000000 ] - [ 0.0018264400000000, 0.0021947100000000, 0.0031528600000000 ] - [ 0.0018217500000000, -0.0022165300000000, -0.0038723600000000 ] - [ -0.0007218500000000, -0.0000046300000000, -0.0003448100000000 ] - [ -0.0019960700000000, -0.0000055100000000, -0.0003405600000000 ] - [ 0.0000021200000000, 0.0000001200000000, 0.0004313800000000 ] - [ -0.0000007700000000, 0.0000001100000000, 0.0004314200000000 ] - [ -0.0000003500000000, 0.0000003700000000, 0.0004316700000000 ] - [ -0.0000003900000000, -0.0000001200000000, 0.0004310400000000 ] - [ 0.0000024300000000, -0.0000014700000000, -0.0005305200000000 ] - [ 0.0000024800000000, 0.0000013000000000, -0.0005320300000000 ] - [ 0.0000000700000000, -0.0000001300000000, -0.0005313000000000 ] - [ -0.0000017300000000, -0.0000001300000000, -0.0005312000000000 ] - [ 0.0000005700000000, -0.0000001300000000, 0.0004379200000000 ] - [ 0.0000000800000000, -0.0000001000000000, 0.0004378000000000 ] - [ 0.0000006900000000, 0.0000001900000000, 0.0004379200000000 ] - [ 0.0000007100000000, -0.0000005100000000, 0.0004377500000000 ] - [ 0.0000288300000000, 0.0000000600000000, 0.0005044600000000 ] - [ -0.0000053000000000, -0.0000000700000000, 0.0005049100000000 ] - [ -0.0000458600000000, -0.0000234400000000, 0.0003394100000000 ] - [ -0.0000460900000000, 0.0000234900000000, 0.0006697500000000 ] - [ 0.0000317600000000, 0.0000000200000000, 0.0005231700000000 ] - [ 0.0000264000000000, 0.0000003600000000, 0.0005231300000000 ] - [ -0.0000492800000000, -0.0000441900000000, 0.0005661900000000 ] - [ -0.0000488500000000, 0.0000429700000000, 0.0004810900000000 ] - [ 0.0006042700000000, 0.0003484200000000, -0.0011702600000000 ] - [ 0.0006101700000000, -0.0003538400000000, 0.0000301000000000 ] - [ -0.0000154000000000, -0.0000000400000000, -0.0005776700000000 ] - [ -0.0000009400000000, -0.0000001400000000, -0.0005774200000000 ] - [ -0.0000002700000000, -0.0000001300000000, -0.0001112500000000 ] - [ -0.0000002500000000, 0.0000005200000000, -0.0001112400000000 ] - [ -0.0000000800000000, 0.0000002300000000, -0.0001113000000000 ] - [ 0.0000003100000000, 0.0000002500000000, -0.0001112600000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000051300000000, 0.0000029600000000, -0.0003657200000000 ] - [ -0.0000051300000000, 0.0000029600000000, -0.0003657200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003654400000000 ] - [ 0.0000000000000000, -0.0000059300000000, -0.0003657200000000 ] - [ 0.0000467500000000, -0.0000269900000000, 0.0004413700000000 ] - [ -0.0000467500000000, -0.0000269900000000, 0.0004413700000000 ] - [ 0.0000000000000000, 0.0000539800000000, 0.0004413700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001027200000000 ] - [ 0.0077883800000000, -0.0044966300000000, 0.0085420400000000 ] - [ -0.0077883800000000, -0.0044966300000000, 0.0085420400000000 ] - [ 0.0000000000000000, 0.0089932500000000, 0.0085420400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025270100000000 ] - [ -0.0000025000000000, -0.0000014400000000, -0.0000096800000000 ] - [ 0.0000025000000000, -0.0000014400000000, -0.0000096800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000591900000000 ] - [ 0.0000000000000000, 0.0000028900000000, -0.0000096800000000 ] - [ 0.0000001900000000, -0.0000001100000000, -0.0005036000000000 ] - [ -0.0000001900000000, -0.0000001100000000, -0.0005036000000000 ] - [ 0.0000000000000000, 0.0000002200000000, -0.0005036000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005035400000000 ] - [ -0.0000003700000000, 0.0000002100000000, 0.0000517300000000 ] - [ 0.0000003700000000, 0.0000002100000000, 0.0000517300000000 ] - [ 0.0000000000000000, -0.0000004200000000, 0.0000517300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000525800000000 ] - [ -0.0000023000000000, -0.0000013300000000, -0.0002225600000000 ] - [ 0.0000023000000000, -0.0000013300000000, -0.0002225600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002191100000000 ] - [ 0.0000000000000000, 0.0000026500000000, -0.0002225600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002725000000000 ] - [ 0.0000000000000000, 0.0000002900000000, 0.0002667100000000 ] - [ -0.0000002500000000, -0.0000001500000000, 0.0002667100000000 ] - [ 0.0000002500000000, -0.0000001500000000, 0.0002667100000000 ] - [ -0.0000000400000000, -0.0000000200000000, -0.0005513600000000 ] - [ 0.0000000400000000, -0.0000000200000000, -0.0005513600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005523000000000 ] - [ 0.0000000000000000, 0.0000000500000000, -0.0005513600000000 ] - [ 0.0000011700000000, -0.0000006700000000, -0.0003847400000000 ] - [ -0.0000011700000000, -0.0000006700000000, -0.0003847400000000 ] - [ 0.0000000000000000, 0.0000013500000000, -0.0003847400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003863700000000 ] - [ -0.0000317000000000, 0.0000183000000000, -0.0004656500000000 ] - [ 0.0000317000000000, 0.0000183000000000, -0.0004656500000000 ] - [ 0.0000000000000000, -0.0000366000000000, -0.0004656500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005243600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0361669000000000 ] - [ 0.0000000000000000, 0.0001322100000000, -0.0011675800000000 ] - [ -0.0001144900000000, -0.0000661000000000, -0.0011675800000000 ] - [ 0.0001144900000000, -0.0000661000000000, -0.0011675800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007645300000000 ] - [ 0.0000000000000000, 0.0000001100000000, 0.0007640300000000 ] - [ -0.0000001000000000, -0.0000000600000000, 0.0007640300000000 ] - [ 0.0000001000000000, -0.0000000600000000, 0.0007640300000000 ] - [ 0.0034844100000000, 0.0020117200000000, 0.0033920600000000 ] - [ -0.0034844100000000, 0.0020117200000000, 0.0033920600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012935300000000 ] - [ 0.0000000000000000, -0.0040234400000000, 0.0033920600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005267600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005208800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005208800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005208800000000 ] - [ 0.0000026700000000, -0.0000015400000000, -0.0004387700000000 ] - [ -0.0000026700000000, -0.0000015400000000, -0.0004387700000000 ] - [ 0.0000000000000000, 0.0000030800000000, -0.0004387700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004488800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005294500000000 ] - [ 0.0000000000000000, 0.0000000100000000, 0.0005282500000000 ] - [ -0.0000000100000000, -0.0000000100000000, 0.0005282500000000 ] - [ 0.0000000100000000, -0.0000000100000000, 0.0005282500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005054500000000 ] - [ 0.0000000000000000, -0.0000366200000000, 0.0006413400000000 ] - [ 0.0000317100000000, 0.0000183100000000, 0.0006413400000000 ] - [ -0.0000317100000000, 0.0000183100000000, 0.0006413400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005249900000000 ] - [ 0.0000000000000000, 0.0001939800000000, 0.0006586400000000 ] - [ -0.0001679900000000, -0.0000969900000000, 0.0006586400000000 ] - [ 0.0001679900000000, -0.0000969900000000, 0.0006586400000000 ] - [ -0.0006097300000000, -0.0003520300000000, 0.0001172700000000 ] - [ 0.0006097300000000, -0.0003520300000000, 0.0001172700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006469100000000 ] - [ 0.0000000000000000, 0.0007040500000000, 0.0001172700000000 ] - [ 0.0000001200000000, 0.0000000700000000, -0.0000207100000000 ] - [ -0.0000001200000000, 0.0000000700000000, -0.0000207100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000213400000000 ] - [ 0.0000000000000000, -0.0000001400000000, -0.0000207100000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000049900000000, -0.0000028800000000, -0.0000062200000000 ] - [ 0.0000049900000000, -0.0000028800000000, -0.0000062200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000064600000000 ] - [ 0.0000000000000000, 0.0000057700000000, -0.0000062200000000 ] - [ -0.0000455600000000, 0.0000263100000000, 0.0005168200000000 ] - [ 0.0000455600000000, 0.0000263100000000, 0.0005168200000000 ] - [ 0.0000000000000000, -0.0000526100000000, 0.0005168200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008470800000000 ] - [ -0.0080291600000000, 0.0046356400000000, -0.0093999800000000 ] - [ 0.0080291600000000, 0.0046356400000000, -0.0093999800000000 ] - [ 0.0000000000000000, -0.0092712800000000, -0.0093999800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032993800000000 ] - [ 0.0000024000000000, 0.0000013800000000, 0.0003307300000000 ] - [ -0.0000024000000000, 0.0000013800000000, 0.0003307300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003808400000000 ] - [ 0.0000000000000000, -0.0000027700000000, 0.0003307300000000 ] - [ -0.0000001200000000, 0.0000000700000000, -0.0001416700000000 ] - [ 0.0000001200000000, 0.0000000700000000, -0.0001416700000000 ] - [ 0.0000000000000000, -0.0000001400000000, -0.0001416700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001418600000000 ] - [ 0.0000003100000000, -0.0000001800000000, 0.0004115500000000 ] - [ -0.0000003100000000, -0.0000001800000000, 0.0004115500000000 ] - [ 0.0000000000000000, 0.0000003600000000, 0.0004115500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004108700000000 ] - [ 0.0000022100000000, 0.0000012700000000, 0.0001406700000000 ] - [ -0.0000022100000000, 0.0000012700000000, 0.0001406700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001372600000000 ] - [ 0.0000000000000000, -0.0000025500000000, 0.0001406700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000807400000000 ] - [ 0.0000000000000000, -0.0000002800000000, 0.0000865800000000 ] - [ 0.0000002500000000, 0.0000001400000000, 0.0000865800000000 ] - [ -0.0000002500000000, 0.0000001400000000, 0.0000865800000000 ] - [ 0.0000000600000000, 0.0000000300000000, -0.0007325600000000 ] - [ -0.0000000600000000, 0.0000000300000000, -0.0007325600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007315000000000 ] - [ 0.0000000000000000, -0.0000000700000000, -0.0007325600000000 ] - [ -0.0000011000000000, 0.0000006400000000, -0.0005647600000000 ] - [ 0.0000011000000000, 0.0000006400000000, -0.0005647600000000 ] - [ 0.0000000000000000, -0.0000012700000000, -0.0005647600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005634900000000 ] - [ 0.0000319500000000, -0.0000184500000000, -0.0006725100000000 ] - [ -0.0000319500000000, -0.0000184500000000, -0.0006725100000000 ] - [ 0.0000000000000000, 0.0000369000000000, -0.0006725100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006135600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0377455400000000 ] - [ 0.0000000000000000, -0.0001253500000000, 0.0022870900000000 ] - [ 0.0001085600000000, 0.0000626800000000, 0.0022870900000000 ] - [ -0.0001085600000000, 0.0000626800000000, 0.0022870900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005812200000000 ] - [ 0.0000000000000000, -0.0000000100000000, 0.0005818100000000 ] - [ 0.0000000100000000, 0.0000000100000000, 0.0005818100000000 ] - [ -0.0000000100000000, 0.0000000100000000, 0.0005818100000000 ] - [ -0.0035359900000000, -0.0020415100000000, -0.0041463700000000 ] - [ 0.0035359900000000, -0.0020415100000000, -0.0041463700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006033500000000 ] - [ 0.0000000000000000, 0.0040830100000000, -0.0041463700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003349900000000 ] - [ 0.0000000000000000, -0.0000000800000000, 0.0003407700000000 ] - [ 0.0000000700000000, 0.0000000400000000, 0.0003407700000000 ] - [ -0.0000000700000000, 0.0000000400000000, 0.0003407700000000 ] - [ -0.0000026800000000, 0.0000015400000000, -0.0006221600000000 ] - [ 0.0000026800000000, 0.0000015400000000, -0.0006221600000000 ] - [ 0.0000000000000000, -0.0000030900000000, -0.0006221600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006121900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003455000000000 ] - [ 0.0000000000000000, 0.0000000100000000, 0.0003463000000000 ] - [ -0.0000000100000000, -0.0000000100000000, 0.0003463000000000 ] - [ 0.0000000100000000, -0.0000000100000000, 0.0003463000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005034000000000 ] - [ 0.0000000000000000, 0.0000365100000000, 0.0003666900000000 ] - [ -0.0000316200000000, -0.0000182600000000, 0.0003666900000000 ] - [ 0.0000316200000000, -0.0000182600000000, 0.0003666900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005182500000000 ] - [ 0.0000000000000000, -0.0001889100000000, 0.0003882300000000 ] - [ 0.0001636000000000, 0.0000944500000000, 0.0003882300000000 ] - [ -0.0001636000000000, 0.0000944500000000, 0.0003882300000000 ] - [ 0.0005901800000000, 0.0003407400000000, -0.0012482200000000 ] - [ -0.0005901800000000, 0.0003407400000000, -0.0012482200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005090900000000 ] - [ 0.0000000000000000, -0.0006814800000000, -0.0012482200000000 ] - [ -0.0000001200000000, -0.0000000700000000, -0.0002000900000000 ] - [ 0.0000001200000000, -0.0000000700000000, -0.0002000900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001995600000000 ] - [ 0.0000000000000000, 0.0000001400000000, -0.0002000900000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000037300000000, 0.0000980500000000, -0.0002551200000000 ] - [ -0.0000038200000000, -0.0000979800000000, -0.0001158900000000 ] - [ 0.0002027600000000, 0.0000000000000000, -0.0001855800000000 ] - [ -0.0001735400000000, -0.0000000500000000, -0.0001854900000000 ] - [ -0.0000002400000000, 0.0000012600000000, 0.0004779700000000 ] - [ -0.0000000400000000, -0.0000015900000000, 0.0004774500000000 ] - [ 0.0000023500000000, -0.0000000600000000, 0.0004776500000000 ] - [ -0.0000016000000000, 0.0000000400000000, 0.0004777000000000 ] - [ 0.0000003700000000, -0.0000000400000000, -0.0003829100000000 ] - [ 0.0000003900000000, 0.0000000500000000, -0.0003823600000000 ] - [ 0.0000002700000000, -0.0000000300000000, -0.0003826400000000 ] - [ -0.0000002900000000, 0.0000000000000000, -0.0003826100000000 ] - [ -0.0000002300000000, -0.0000001400000000, 0.0001612200000000 ] - [ -0.0000002100000000, 0.0000000000000000, 0.0001608800000000 ] - [ -0.0000001300000000, -0.0000000700000000, 0.0001610700000000 ] - [ -0.0000001000000000, -0.0000000400000000, 0.0001610000000000 ] - [ 0.0056953900000000, -0.0031326100000000, 0.0056763300000000 ] - [ 0.0059550900000000, 0.0033305600000000, -0.0065954200000000 ] - [ 0.0002290500000000, 0.0000131500000000, -0.0003137200000000 ] - [ -0.0009391200000000, 0.0000061300000000, -0.0003168900000000 ] - [ -0.0000045600000000, -0.0000109700000000, 0.0002308000000000 ] - [ -0.0000055300000000, 0.0000107400000000, 0.0002345900000000 ] - [ -0.0000238600000000, 0.0000002300000000, 0.0002329900000000 ] - [ -0.0002376300000000, -0.0000001100000000, 0.0002320500000000 ] - [ 0.0000004800000000, 0.0000012400000000, -0.0000416500000000 ] - [ 0.0000003200000000, -0.0000010800000000, -0.0000392200000000 ] - [ 0.0000001600000000, 0.0000000400000000, -0.0000405100000000 ] - [ -0.0000015800000000, -0.0000000500000000, -0.0000404400000000 ] - [ 0.0000289500000000, 0.0000000800000000, 0.0001767800000000 ] - [ -0.0000056800000000, -0.0000000500000000, 0.0001773400000000 ] - [ -0.0000457600000000, -0.0000231700000000, 0.0000118200000000 ] - [ -0.0000460100000000, 0.0000232800000000, 0.0003421200000000 ] - [ 0.0006032600000000, 0.0003478200000000, -0.0012347900000000 ] - [ 0.0006091900000000, -0.0003532600000000, -0.0000365900000000 ] - [ -0.0000154100000000, -0.0000001300000000, -0.0006433700000000 ] - [ -0.0000008900000000, -0.0000002200000000, -0.0006430400000000 ] - [ 0.0000024800000000, -0.0000013800000000, -0.0004746600000000 ] - [ 0.0000024500000000, 0.0000013300000000, -0.0004762700000000 ] - [ 0.0000001100000000, 0.0000000200000000, -0.0004754900000000 ] - [ -0.0000016900000000, 0.0000000200000000, -0.0004756300000000 ] - [ 0.0000001500000000, 0.0000000900000000, -0.0005695800000000 ] - [ 0.0000001400000000, -0.0000005200000000, -0.0005695400000000 ] - [ 0.0000006700000000, -0.0000002200000000, -0.0005695400000000 ] - [ 0.0000003400000000, -0.0000002100000000, -0.0005695500000000 ] - [ 0.0000005700000000, -0.0000001500000000, 0.0005650700000000 ] - [ 0.0000001200000000, -0.0000001400000000, 0.0005650300000000 ] - [ 0.0000006900000000, 0.0000002100000000, 0.0005649900000000 ] - [ 0.0000006900000000, -0.0000004300000000, 0.0005652300000000 ] - [ -0.0273111400000000, -0.0001848100000000, 0.0009404100000000 ] - [ 0.0106140400000000, -0.0000058100000000, 0.0006769200000000 ] - [ 0.0019830100000000, -0.0049737900000000, 0.0005610700000000 ] - [ 0.0019931800000000, 0.0049862900000000, 0.0007844600000000 ] - [ 0.0000004000000000, 0.0000004300000000, -0.0003462200000000 ] - [ 0.0000004100000000, 0.0000001200000000, -0.0003459900000000 ] - [ -0.0000004900000000, 0.0000002900000000, -0.0003460800000000 ] - [ 0.0000001500000000, 0.0000003000000000, -0.0003460000000000 ] - [ 0.0000020900000000, 0.0000001100000000, 0.0004312100000000 ] - [ -0.0000008100000000, 0.0000001100000000, 0.0004312500000000 ] - [ -0.0000002800000000, 0.0000004400000000, 0.0004312100000000 ] - [ -0.0000003300000000, -0.0000001700000000, 0.0004311200000000 ] - [ 0.0000087900000000, -0.0000301300000000, -0.0005957300000000 ] - [ 0.0000089300000000, 0.0000298500000000, -0.0004665600000000 ] - [ -0.0000430700000000, -0.0000001300000000, -0.0005310400000000 ] - [ 0.0000281000000000, -0.0000000700000000, -0.0005310200000000 ] - [ 0.0000316800000000, 0.0000000100000000, 0.0004375800000000 ] - [ 0.0000264100000000, 0.0000004100000000, 0.0004374700000000 ] - [ -0.0000492300000000, -0.0000441800000000, 0.0004804500000000 ] - [ -0.0000487600000000, 0.0000429000000000, 0.0003953700000000 ] - [ 0.0000000700000000, 0.0000001300000000, 0.0005042400000000 ] - [ -0.0000001800000000, 0.0000001300000000, 0.0005042400000000 ] - [ 0.0000002300000000, 0.0000003700000000, 0.0005042600000000 ] - [ 0.0000002300000000, -0.0000001300000000, 0.0005042500000000 ] - [ 0.0000021200000000, -0.0000001200000000, 0.0005230100000000 ] - [ 0.0000000700000000, -0.0000001400000000, 0.0005229800000000 ] - [ 0.0000001200000000, -0.0000001100000000, 0.0005233100000000 ] - [ 0.0000001000000000, -0.0000001500000000, 0.0005228300000000 ] - [ -0.0000003200000000, 0.0000001100000000, -0.0005752200000000 ] - [ -0.0000003400000000, 0.0000000500000000, -0.0005779300000000 ] - [ 0.0000002600000000, 0.0000001400000000, -0.0005765600000000 ] - [ -0.0000003900000000, 0.0000001300000000, -0.0005765900000000 ] - [ 0.0018266000000000, 0.0021948700000000, 0.0033880200000000 ] - [ 0.0018218900000000, -0.0022168500000000, -0.0036371400000000 ] - [ -0.0007219700000000, -0.0000046900000000, -0.0001096900000000 ] - [ -0.0019963400000000, -0.0000055700000000, -0.0001054800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000025200000000, -0.0000014600000000, -0.0003567500000000 ] - [ 0.0000025200000000, -0.0000014600000000, -0.0003567500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004063100000000 ] - [ 0.0000000000000000, 0.0000029100000000, -0.0003567500000000 ] - [ -0.0000027600000000, 0.0000015900000000, 0.0002962900000000 ] - [ 0.0000027600000000, 0.0000015900000000, 0.0002962900000000 ] - [ 0.0000000000000000, -0.0000031900000000, 0.0002962900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002991500000000 ] - [ -0.0000003600000000, 0.0000002100000000, -0.0005641600000000 ] - [ 0.0000003600000000, 0.0000002100000000, -0.0005641600000000 ] - [ 0.0000000000000000, -0.0000004200000000, -0.0005641600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005633000000000 ] - [ 0.0000002000000000, 0.0000001100000000, -0.0000197100000000 ] - [ -0.0000002000000000, 0.0000001100000000, -0.0000197100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000198000000000 ] - [ 0.0000000000000000, -0.0000002300000000, -0.0000197100000000 ] - [ 0.0077883600000000, -0.0044966100000000, 0.0086025500000000 ] - [ -0.0077883600000000, -0.0044966100000000, 0.0086025500000000 ] - [ 0.0000000000000000, 0.0089932200000000, 0.0086025500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025871800000000 ] - [ 0.0000467400000000, -0.0000269900000000, 0.0001950900000000 ] - [ -0.0000467400000000, -0.0000269900000000, 0.0001950900000000 ] - [ 0.0000000000000000, 0.0000539700000000, 0.0001950900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001431500000000 ] - [ 0.0000050900000000, 0.0000029400000000, -0.0002216700000000 ] - [ -0.0000050900000000, 0.0000029400000000, -0.0002216700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002214100000000 ] - [ 0.0000000000000000, -0.0000058800000000, -0.0002216700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001771600000000 ] - [ 0.0000000000000000, -0.0000364400000000, 0.0003134900000000 ] - [ 0.0000315600000000, 0.0000182200000000, 0.0003134900000000 ] - [ -0.0000315600000000, 0.0000182200000000, 0.0003134900000000 ] - [ -0.0006085600000000, -0.0003513500000000, 0.0000500700000000 ] - [ 0.0006085600000000, -0.0003513500000000, 0.0000500700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007127100000000 ] - [ 0.0000000000000000, 0.0007027100000000, 0.0000500700000000 ] - [ 0.0000026900000000, -0.0000015600000000, -0.0003829600000000 ] - [ -0.0000026900000000, -0.0000015600000000, -0.0003829600000000 ] - [ 0.0000000000000000, 0.0000031100000000, -0.0003829600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003932700000000 ] - [ 0.0000000600000000, -0.0000000300000000, -0.0004785200000000 ] - [ -0.0000000600000000, -0.0000000300000000, -0.0004785200000000 ] - [ 0.0000000000000000, 0.0000000700000000, -0.0004785200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004792200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006559200000000 ] - [ 0.0000000000000000, -0.0000000600000000, 0.0006548800000000 ] - [ 0.0000000500000000, 0.0000000300000000, 0.0006548800000000 ] - [ -0.0000000500000000, 0.0000000300000000, 0.0006548800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0360283600000000 ] - [ 0.0000000000000000, 0.0001323600000000, -0.0010602400000000 ] - [ -0.0001146300000000, -0.0000661800000000, -0.0010602400000000 ] - [ 0.0001146300000000, -0.0000661800000000, -0.0010602400000000 ] - [ -0.0000000200000000, -0.0000000100000000, -0.0002554600000000 ] - [ 0.0000000200000000, -0.0000000100000000, -0.0002554600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002564500000000 ] - [ 0.0000000000000000, 0.0000000300000000, -0.0002554600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005259500000000 ] - [ 0.0000000000000000, 0.0000002300000000, 0.0005199800000000 ] - [ -0.0000002000000000, -0.0000001200000000, 0.0005199800000000 ] - [ 0.0000002000000000, -0.0000001200000000, 0.0005199800000000 ] - [ -0.0000316700000000, 0.0000182800000000, -0.0004279100000000 ] - [ 0.0000316700000000, 0.0000182800000000, -0.0004279100000000 ] - [ 0.0000000000000000, -0.0000365700000000, -0.0004279100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004866300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004392100000000 ] - [ 0.0000000000000000, 0.0001938100000000, 0.0005726400000000 ] - [ -0.0001678400000000, -0.0000969000000000, 0.0005726400000000 ] - [ 0.0001678400000000, -0.0000969000000000, 0.0005726400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005951100000000 ] - [ 0.0000000000000000, -0.0000001900000000, 0.0005945800000000 ] - [ 0.0000001600000000, 0.0000000900000000, 0.0005945800000000 ] - [ -0.0000001600000000, 0.0000000900000000, 0.0005945800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006181700000000 ] - [ 0.0000000000000000, -0.0000002800000000, 0.0006122000000000 ] - [ 0.0000002400000000, 0.0000001400000000, 0.0006122000000000 ] - [ -0.0000002400000000, 0.0000001400000000, 0.0006122000000000 ] - [ 0.0000007600000000, 0.0000004400000000, -0.0004850300000000 ] - [ -0.0000007600000000, 0.0000004400000000, -0.0004850300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004874900000000 ] - [ 0.0000000000000000, -0.0000008800000000, -0.0004850300000000 ] - [ 0.0034846100000000, 0.0020118400000000, 0.0036269800000000 ] - [ -0.0034846100000000, 0.0020118400000000, 0.0036269800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010588000000000 ] - [ 0.0000000000000000, -0.0040236800000000, 0.0036269800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000024100000000, 0.0000013900000000, -0.0000155600000000 ] - [ -0.0000024100000000, 0.0000013900000000, -0.0000155600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000345900000000 ] - [ 0.0000000000000000, -0.0000027900000000, -0.0000155600000000 ] - [ 0.0000027000000000, -0.0000015600000000, 0.0006581000000000 ] - [ -0.0000027000000000, -0.0000015600000000, 0.0006581000000000 ] - [ 0.0000000000000000, 0.0000031200000000, 0.0006581000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006552900000000 ] - [ 0.0000003800000000, -0.0000002200000000, -0.0002020800000000 ] - [ -0.0000003800000000, -0.0000002200000000, -0.0002020800000000 ] - [ 0.0000000000000000, 0.0000004400000000, -0.0002020800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002029500000000 ] - [ -0.0000001400000000, -0.0000000800000000, 0.0003407800000000 ] - [ 0.0000001400000000, -0.0000000800000000, 0.0003407800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003408800000000 ] - [ 0.0000000000000000, 0.0000001700000000, 0.0003407800000000 ] - [ -0.0080289700000000, 0.0046355300000000, -0.0093395600000000 ] - [ 0.0080289700000000, 0.0046355300000000, -0.0093395600000000 ] - [ 0.0000000000000000, -0.0092710600000000, -0.0093395600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032387900000000 ] - [ -0.0000454600000000, 0.0000262500000000, 0.0002716200000000 ] - [ 0.0000454600000000, 0.0000262500000000, 0.0002716200000000 ] - [ 0.0000000000000000, -0.0000524900000000, 0.0002716200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006015000000000 ] - [ -0.0000050400000000, -0.0000029100000000, 0.0001397500000000 ] - [ 0.0000050400000000, -0.0000029100000000, 0.0001397500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001395100000000 ] - [ 0.0000000000000000, 0.0000058200000000, 0.0001397500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001766000000000 ] - [ 0.0000000000000000, 0.0000363600000000, 0.0000397000000000 ] - [ -0.0000314900000000, -0.0000181800000000, 0.0000397000000000 ] - [ 0.0000314900000000, -0.0000181800000000, 0.0000397000000000 ] - [ 0.0005890100000000, 0.0003400700000000, -0.0013134200000000 ] - [ -0.0005890100000000, 0.0003400700000000, -0.0013134200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005753500000000 ] - [ 0.0000000000000000, -0.0006801300000000, -0.0013134200000000 ] - [ -0.0000025700000000, 0.0000014900000000, -0.0005666600000000 ] - [ 0.0000025700000000, 0.0000014900000000, -0.0005666600000000 ] - [ 0.0000000000000000, -0.0000029700000000, -0.0005666600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005569500000000 ] - [ -0.0000000900000000, 0.0000000500000000, -0.0006600500000000 ] - [ 0.0000000900000000, 0.0000000500000000, -0.0006600500000000 ] - [ 0.0000000000000000, -0.0000001100000000, -0.0006600500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006594300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004731200000000 ] - [ 0.0000000000000000, 0.0000000200000000, 0.0004743500000000 ] - [ -0.0000000200000000, -0.0000000100000000, 0.0004743500000000 ] - [ 0.0000000200000000, -0.0000000100000000, 0.0004743500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0378343900000000 ] - [ 0.0000000000000000, -0.0001254300000000, 0.0023961000000000 ] - [ 0.0001086200000000, 0.0000627100000000, 0.0023961000000000 ] - [ -0.0001086200000000, 0.0000627100000000, 0.0023961000000000 ] - [ -0.0000000400000000, -0.0000000200000000, -0.0004352800000000 ] - [ 0.0000000400000000, -0.0000000200000000, -0.0004352800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004342500000000 ] - [ 0.0000000000000000, 0.0000000500000000, -0.0004352800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003358200000000 ] - [ 0.0000000000000000, -0.0000002900000000, 0.0003414900000000 ] - [ 0.0000002600000000, 0.0000001500000000, 0.0003414900000000 ] - [ -0.0000002600000000, 0.0000001500000000, 0.0003414900000000 ] - [ 0.0000318700000000, -0.0000184000000000, -0.0006333600000000 ] - [ -0.0000318700000000, -0.0000184000000000, -0.0006333600000000 ] - [ 0.0000000000000000, 0.0000368000000000, -0.0006333600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005741500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004334900000000 ] - [ 0.0000000000000000, -0.0001887700000000, 0.0003036100000000 ] - [ 0.0001634800000000, 0.0000943900000000, 0.0003036100000000 ] - [ -0.0001634800000000, 0.0000943900000000, 0.0003036100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004132500000000 ] - [ 0.0000000000000000, 0.0000001800000000, 0.0004138200000000 ] - [ -0.0000001500000000, -0.0000000900000000, 0.0004138200000000 ] - [ 0.0000001500000000, -0.0000000900000000, 0.0004138200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004275100000000 ] - [ 0.0000000000000000, 0.0000002800000000, 0.0004334300000000 ] - [ -0.0000002400000000, -0.0000001400000000, 0.0004334300000000 ] - [ 0.0000002400000000, -0.0000001400000000, 0.0004334300000000 ] - [ -0.0000007700000000, -0.0000004500000000, -0.0006674300000000 ] - [ 0.0000007700000000, -0.0000004500000000, -0.0006674300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006650400000000 ] - [ 0.0000000000000000, 0.0000008900000000, -0.0006674300000000 ] - [ -0.0035362000000000, -0.0020416300000000, -0.0039117500000000 ] - [ 0.0035362000000000, -0.0020416300000000, -0.0039117500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008382100000000 ] - [ 0.0000000000000000, 0.0040832500000000, -0.0039117500000000 ]- atom: 53 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000044100000000, -0.0000000200000000, -0.0001846800000000 ] - [ -0.0000040300000000, 0.0000000200000000, -0.0001846400000000 ] - [ -0.0000005500000000, 0.0000019600000000, -0.0001861800000000 ] - [ -0.0000005800000000, -0.0000019900000000, -0.0001831900000000 ] - [ 0.0001408600000000, -0.0000002600000000, 0.0004785900000000 ] - [ -0.0001108500000000, -0.0000000800000000, 0.0004785400000000 ] - [ -0.0000122500000000, 0.0000882000000000, 0.0005720400000000 ] - [ -0.0000119900000000, -0.0000884700000000, 0.0003849000000000 ] - [ 0.0002310800000000, -0.0000130800000000, -0.0003902200000000 ] - [ -0.0009381400000000, -0.0000061700000000, -0.0003871700000000 ] - [ 0.0059730100000000, -0.0033398300000000, 0.0059068800000000 ] - [ 0.0057127400000000, 0.0031413700000000, -0.0063953900000000 ] - [ -0.0000278400000000, -0.0000000900000000, 0.0001611100000000 ] - [ -0.0000821200000000, 0.0000006000000000, 0.0001608900000000 ] - [ 0.0000182500000000, 0.0000573800000000, 0.0001507400000000 ] - [ 0.0000196600000000, -0.0000593300000000, 0.0001724400000000 ] - [ 0.0000002500000000, -0.0000000700000000, -0.0003213500000000 ] - [ -0.0000003800000000, -0.0000000900000000, -0.0003213600000000 ] - [ 0.0000003400000000, -0.0000000300000000, -0.0003216300000000 ] - [ 0.0000003000000000, 0.0000000600000000, -0.0003211400000000 ] - [ -0.0000001700000000, -0.0000001200000000, 0.0002328400000000 ] - [ -0.0000000800000000, -0.0000000900000000, 0.0002328600000000 ] - [ -0.0000002400000000, -0.0000000700000000, 0.0002329800000000 ] - [ -0.0000001500000000, -0.0000000700000000, 0.0002327100000000 ] - [ -0.0000025800000000, 0.0000000900000000, -0.0000395800000000 ] - [ 0.0000012400000000, 0.0000000500000000, -0.0000395700000000 ] - [ 0.0000000400000000, -0.0000006900000000, -0.0000389200000000 ] - [ 0.0000000300000000, 0.0000007200000000, -0.0000403500000000 ] - [ -0.0000003800000000, 0.0000005900000000, 0.0001776000000000 ] - [ -0.0000003700000000, -0.0000002900000000, 0.0001756800000000 ] - [ 0.0000009100000000, 0.0000001300000000, 0.0001766600000000 ] - [ -0.0000011400000000, 0.0000001600000000, 0.0001767200000000 ] - [ -0.0000000100000000, 0.0000000700000000, -0.0006428100000000 ] - [ -0.0000002800000000, 0.0000000600000000, -0.0006428400000000 ] - [ 0.0000001700000000, 0.0000003100000000, -0.0006428300000000 ] - [ 0.0000001800000000, -0.0000002000000000, -0.0006428800000000 ] - [ 0.0000010300000000, 0.0000000200000000, -0.0004758400000000 ] - [ -0.0000005000000000, -0.0000000100000000, -0.0004758800000000 ] - [ -0.0000003000000000, 0.0000007800000000, -0.0004753900000000 ] - [ -0.0000003200000000, -0.0000007600000000, -0.0004764800000000 ] - [ -0.0000067600000000, -0.0000001900000000, -0.0005702200000000 ] - [ 0.0001249100000000, -0.0000002600000000, -0.0005707500000000 ] - [ -0.0000153700000000, 0.0000048000000000, -0.0005689500000000 ] - [ -0.0000156700000000, -0.0000052900000000, -0.0005705900000000 ] - [ 0.0018220100000000, 0.0022167200000000, 0.0040882700000000 ] - [ 0.0018267700000000, -0.0021945300000000, -0.0029317300000000 ] - [ -0.0007215200000000, 0.0000047900000000, 0.0005634200000000 ] - [ -0.0019958100000000, 0.0000057200000000, 0.0005591900000000 ] - [ 0.0000006800000000, 0.0000000100000000, 0.0006728800000000 ] - [ 0.0000007300000000, -0.0000002600000000, 0.0006731100000000 ] - [ -0.0000002000000000, -0.0000001300000000, 0.0006730900000000 ] - [ 0.0000004500000000, -0.0000001100000000, 0.0006730400000000 ] - [ -0.0273582000000000, 0.0001853900000000, -0.0006120300000000 ] - [ 0.0106323600000000, 0.0000054700000000, -0.0003496700000000 ] - [ 0.0019771800000000, -0.0050057300000000, -0.0004604600000000 ] - [ 0.0019674300000000, 0.0049937200000000, -0.0002312300000000 ] - [ 0.0000017600000000, 0.0000014000000000, 0.0004334900000000 ] - [ 0.0000018000000000, -0.0000011800000000, 0.0004285000000000 ] - [ -0.0000022600000000, 0.0000001400000000, 0.0004309900000000 ] - [ -0.0000004700000000, 0.0000001300000000, 0.0004309400000000 ] - [ 0.0000009800000000, -0.0000000800000000, -0.0005315300000000 ] - [ -0.0000002800000000, -0.0000000600000000, -0.0005315000000000 ] - [ -0.0000004700000000, 0.0000007300000000, -0.0005270700000000 ] - [ -0.0000004700000000, -0.0000009700000000, -0.0005358600000000 ] - [ 0.0000000300000000, -0.0000004800000000, 0.0004375500000000 ] - [ 0.0000000300000000, 0.0000002600000000, 0.0004373100000000 ] - [ 0.0000002100000000, -0.0000001400000000, 0.0004373800000000 ] - [ 0.0000006800000000, -0.0000001700000000, 0.0004374300000000 ] - [ 0.0004667600000000, 0.0002805400000000, -0.0001268700000000 ] - [ 0.0004617200000000, -0.0002736200000000, 0.0011215800000000 ] - [ -0.0000218900000000, 0.0000006200000000, 0.0005048200000000 ] - [ -0.0000156600000000, 0.0000004200000000, 0.0005046600000000 ] - [ 0.0000061300000000, -0.0000363800000000, 0.0005356600000000 ] - [ 0.0000061100000000, 0.0000361800000000, 0.0005098700000000 ] - [ -0.0000888700000000, -0.0000001600000000, 0.0005228500000000 ] - [ 0.0000689700000000, -0.0000001700000000, 0.0005230200000000 ] - [ 0.0000336500000000, 0.0000001400000000, -0.0005769500000000 ] - [ 0.0000283700000000, 0.0000003800000000, -0.0005774300000000 ] - [ -0.0000478400000000, -0.0000435900000000, -0.0007389900000000 ] - [ -0.0000476200000000, 0.0000443100000000, -0.0004151300000000 ] - [ 0.0000001400000000, 0.0000002100000000, -0.0001115000000000 ] - [ -0.0000002900000000, 0.0000001900000000, -0.0001114300000000 ] - [ 0.0000002700000000, 0.0000005700000000, -0.0001116400000000 ] - [ 0.0000002600000000, -0.0000000900000000, -0.0001113800000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003630000000000 ] - [ 0.0000000000000000, -0.0000003500000000, -0.0003614200000000 ] - [ 0.0000003000000000, 0.0000001700000000, -0.0003614200000000 ] - [ -0.0000003000000000, 0.0000001700000000, -0.0003614200000000 ] - [ 0.0000000000000000, 0.0000714500000000, 0.0002931700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003168800000000 ] - [ 0.0000618800000000, -0.0000357200000000, 0.0002931700000000 ] - [ -0.0000618800000000, -0.0000357200000000, 0.0002931700000000 ] - [ 0.0000000000000000, 0.0092821400000000, 0.0086384400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025418200000000 ] - [ 0.0080385700000000, -0.0046410700000000, 0.0086384400000000 ] - [ -0.0080385700000000, -0.0046410700000000, 0.0086384400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000197800000000 ] - [ 0.0000000000000000, -0.0002879000000000, 0.0000936100000000 ] - [ 0.0002493300000000, 0.0001439500000000, 0.0000936100000000 ] - [ -0.0002493300000000, 0.0001439500000000, 0.0000936100000000 ] - [ 0.0000000000000000, -0.0000004200000000, -0.0004991400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004982700000000 ] - [ -0.0000003700000000, 0.0000002100000000, -0.0004991400000000 ] - [ 0.0000003700000000, 0.0000002100000000, -0.0004991400000000 ] - [ 0.0000000000000000, -0.0000001100000000, 0.0000559600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000563600000000 ] - [ -0.0000000900000000, 0.0000000500000000, 0.0000559600000000 ] - [ 0.0000000900000000, 0.0000000500000000, 0.0000559600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002247800000000 ] - [ 0.0000000000000000, -0.0000053000000000, -0.0002148200000000 ] - [ 0.0000045900000000, 0.0000026500000000, -0.0002148200000000 ] - [ -0.0000045900000000, 0.0000026500000000, -0.0002148200000000 ] - [ 0.0000007400000000, 0.0000004300000000, 0.0002658500000000 ] - [ -0.0000007400000000, 0.0000004300000000, 0.0002658500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002642500000000 ] - [ 0.0000000000000000, -0.0000008500000000, 0.0002658500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005531100000000 ] - [ 0.0000000000000000, -0.0000001600000000, -0.0005535800000000 ] - [ 0.0000001400000000, 0.0000000800000000, -0.0005535800000000 ] - [ -0.0000001400000000, 0.0000000800000000, -0.0005535800000000 ] - [ 0.0000000000000000, -0.0000051300000000, -0.0003878300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003883800000000 ] - [ -0.0000044400000000, 0.0000025600000000, -0.0003878300000000 ] - [ 0.0000044400000000, 0.0000025600000000, -0.0003878300000000 ] - [ 0.0000000000000000, 0.0000146000000000, -0.0005662400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001856000000000 ] - [ 0.0000126400000000, -0.0000073000000000, -0.0005662400000000 ] - [ -0.0000126400000000, -0.0000073000000000, -0.0005662400000000 ] - [ 0.0035386200000000, 0.0020430300000000, 0.0043651700000000 ] - [ -0.0035386200000000, 0.0020430300000000, 0.0043651700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003846500000000 ] - [ 0.0000000000000000, -0.0040860500000000, 0.0043651700000000 ] - [ 0.0000000200000000, 0.0000000100000000, 0.0007619000000000 ] - [ -0.0000000200000000, 0.0000000100000000, 0.0007619000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007610700000000 ] - [ 0.0000000000000000, -0.0000000200000000, 0.0007619000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0374844800000000 ] - [ 0.0000000000000000, 0.0001287300000000, -0.0020894600000000 ] - [ -0.0001114800000000, -0.0000643700000000, -0.0020894600000000 ] - [ 0.0001114800000000, -0.0000643700000000, -0.0020894600000000 ] - [ 0.0000008600000000, 0.0000005000000000, 0.0005219700000000 ] - [ -0.0000008600000000, 0.0000005000000000, 0.0005219700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005120400000000 ] - [ 0.0000000000000000, -0.0000009900000000, 0.0005219700000000 ] - [ 0.0000000000000000, -0.0000005900000000, -0.0004432600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004437100000000 ] - [ -0.0000005100000000, 0.0000002900000000, -0.0004432600000000 ] - [ 0.0000005100000000, 0.0000002900000000, -0.0004432600000000 ] - [ 0.0000002200000000, 0.0000001300000000, 0.0005258700000000 ] - [ -0.0000002200000000, 0.0000001300000000, 0.0005258700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005259300000000 ] - [ 0.0000000000000000, -0.0000002600000000, 0.0005258700000000 ] - [ -0.0004752800000000, -0.0002744000000000, 0.0011579400000000 ] - [ 0.0004752800000000, -0.0002744000000000, 0.0011579400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004365000000000 ] - [ 0.0000000000000000, 0.0005488100000000, 0.0011579400000000 ] - [ 0.0000136900000000, 0.0000079000000000, 0.0005922100000000 ] - [ -0.0000136900000000, 0.0000079000000000, 0.0005922100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006665500000000 ] - [ 0.0000000000000000, -0.0000158100000000, 0.0005922100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005764100000000 ] - [ 0.0000000000000000, -0.0000498400000000, -0.0004455500000000 ] - [ 0.0000431600000000, 0.0000249200000000, -0.0004455500000000 ] - [ -0.0000431600000000, 0.0000249200000000, -0.0004455500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000221200000000 ] - [ 0.0000000000000000, -0.0000000400000000, -0.0000231600000000 ] - [ 0.0000000400000000, 0.0000000200000000, -0.0000231600000000 ] - [ -0.0000000400000000, 0.0000000200000000, -0.0000231600000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0000053600000000 ] - [ 0.0000000000000000, 0.0000004300000000, -0.0000068400000000 ] - [ -0.0000003700000000, -0.0000002100000000, -0.0000068400000000 ] - [ 0.0000003700000000, -0.0000002100000000, -0.0000068400000000 ] - [ 0.0000000000000000, -0.0000708500000000, 0.0006652800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006414700000000 ] - [ -0.0000613600000000, 0.0000354300000000, 0.0006652800000000 ] - [ 0.0000613600000000, 0.0000354300000000, 0.0006652800000000 ] - [ 0.0000000000000000, -0.0090038900000000, -0.0093090600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032980100000000 ] - [ -0.0077976000000000, 0.0045019500000000, -0.0093090600000000 ] - [ 0.0077976000000000, 0.0045019500000000, -0.0093090600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003436700000000 ] - [ 0.0000000000000000, 0.0002954200000000, 0.0002283300000000 ] - [ -0.0002558400000000, -0.0001477100000000, 0.0002283300000000 ] - [ 0.0002558400000000, -0.0001477100000000, 0.0002283300000000 ] - [ 0.0000000000000000, 0.0000003900000000, -0.0001423400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001432100000000 ] - [ 0.0000003300000000, -0.0000001900000000, -0.0001423400000000 ] - [ -0.0000003300000000, -0.0000001900000000, -0.0001423400000000 ] - [ 0.0000000000000000, 0.0000000700000000, 0.0004111100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004106600000000 ] - [ 0.0000000600000000, -0.0000000300000000, 0.0004111100000000 ] - [ -0.0000000600000000, -0.0000000300000000, 0.0004111100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001471900000000 ] - [ 0.0000000000000000, 0.0000054800000000, 0.0001366400000000 ] - [ -0.0000047500000000, -0.0000027400000000, 0.0001366400000000 ] - [ 0.0000047500000000, -0.0000027400000000, 0.0001366400000000 ] - [ -0.0000007900000000, -0.0000004600000000, 0.0000862600000000 ] - [ 0.0000007900000000, -0.0000004600000000, 0.0000862600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000876000000000 ] - [ 0.0000000000000000, 0.0000009200000000, 0.0000862600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007322000000000 ] - [ 0.0000000000000000, 0.0000001700000000, -0.0007315900000000 ] - [ -0.0000001500000000, -0.0000000900000000, -0.0007315900000000 ] - [ 0.0000001500000000, -0.0000000900000000, -0.0007315900000000 ] - [ 0.0000000000000000, 0.0000052700000000, -0.0005628700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005620500000000 ] - [ 0.0000045600000000, -0.0000026300000000, -0.0005628700000000 ] - [ -0.0000045600000000, -0.0000026300000000, -0.0005628700000000 ] - [ 0.0000000000000000, -0.0000150200000000, -0.0005712800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009619200000000 ] - [ -0.0000130100000000, 0.0000075100000000, -0.0005712800000000 ] - [ 0.0000130100000000, 0.0000075100000000, -0.0005712800000000 ] - [ -0.0034870000000000, -0.0020132200000000, -0.0031732100000000 ] - [ 0.0034870000000000, -0.0020132200000000, -0.0031732100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015123500000000 ] - [ 0.0000000000000000, 0.0040264400000000, -0.0031732100000000 ] - [ 0.0000000300000000, 0.0000000200000000, 0.0005825200000000 ] - [ -0.0000000300000000, 0.0000000200000000, 0.0005825200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005836200000000 ] - [ 0.0000000000000000, -0.0000000300000000, 0.0005825200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0363333500000000 ] - [ 0.0000000000000000, -0.0001357200000000, 0.0014083300000000 ] - [ 0.0001175400000000, 0.0000678600000000, 0.0014083300000000 ] - [ -0.0001175400000000, 0.0000678600000000, 0.0014083300000000 ] - [ -0.0000008900000000, -0.0000005200000000, 0.0003383600000000 ] - [ 0.0000008900000000, -0.0000005200000000, 0.0003383600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003484600000000 ] - [ 0.0000000000000000, 0.0000010300000000, 0.0003383600000000 ] - [ 0.0000000000000000, 0.0000005100000000, -0.0006188100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006181000000000 ] - [ 0.0000004400000000, -0.0000002500000000, -0.0006188100000000 ] - [ -0.0000004400000000, -0.0000002500000000, -0.0006188100000000 ] - [ -0.0000002100000000, -0.0000001200000000, 0.0003478200000000 ] - [ 0.0000002100000000, -0.0000001200000000, 0.0003478200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003476500000000 ] - [ 0.0000000000000000, 0.0000002400000000, 0.0003478200000000 ] - [ 0.0004906300000000, 0.0002832700000000, -0.0001709200000000 ] - [ -0.0004906300000000, 0.0002832700000000, -0.0001709200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005745400000000 ] - [ 0.0000000000000000, -0.0005665300000000, -0.0001709200000000 ] - [ -0.0000135900000000, -0.0000078500000000, 0.0004521200000000 ] - [ 0.0000135900000000, -0.0000078500000000, 0.0004521200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003782600000000 ] - [ 0.0000000000000000, 0.0000156900000000, 0.0004521200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005777100000000 ] - [ 0.0000000000000000, 0.0000498200000000, -0.0007079200000000 ] - [ -0.0000431400000000, -0.0000249100000000, -0.0007079200000000 ] - [ 0.0000431400000000, -0.0000249100000000, -0.0007079200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001999800000000 ] - [ 0.0000000000000000, 0.0000000400000000, -0.0001986800000000 ] - [ -0.0000000300000000, -0.0000000200000000, -0.0001986800000000 ] - [ 0.0000000300000000, -0.0000000200000000, -0.0001986800000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000002800000000, 0.0000001900000000, -0.0001859200000000 ] - [ 0.0000002500000000, -0.0000001900000000, -0.0001849900000000 ] - [ -0.0000000900000000, -0.0000000100000000, -0.0001855000000000 ] - [ -0.0000000600000000, -0.0000000200000000, -0.0001854800000000 ] - [ -0.0000002200000000, -0.0000000900000000, 0.0004778900000000 ] - [ -0.0000000600000000, -0.0000002600000000, 0.0004775300000000 ] - [ 0.0000000400000000, -0.0000000400000000, 0.0004776500000000 ] - [ -0.0000000600000000, 0.0000000400000000, 0.0004776900000000 ] - [ 0.0000004900000000, -0.0000011200000000, -0.0003837600000000 ] - [ 0.0000005000000000, 0.0000011000000000, -0.0003814100000000 ] - [ -0.0000014500000000, -0.0000000200000000, -0.0003825900000000 ] - [ 0.0000001600000000, 0.0000000100000000, -0.0003825600000000 ] - [ -0.0000046600000000, 0.0000107800000000, 0.0001601200000000 ] - [ -0.0000055400000000, -0.0000109200000000, 0.0001633500000000 ] - [ -0.0002381700000000, -0.0000000200000000, 0.0001611200000000 ] - [ -0.0000239000000000, -0.0000003200000000, 0.0001619900000000 ] - [ -0.0000001500000000, 0.0000004200000000, -0.0003233700000000 ] - [ -0.0000002800000000, -0.0000005700000000, -0.0003209700000000 ] - [ 0.0000006600000000, 0.0000000500000000, -0.0003221700000000 ] - [ 0.0000001000000000, -0.0000000100000000, -0.0003222400000000 ] - [ -0.0000036500000000, -0.0000981600000000, 0.0001624100000000 ] - [ -0.0000037300000000, 0.0000978700000000, 0.0003016300000000 ] - [ -0.0001734800000000, -0.0000000500000000, 0.0002320300000000 ] - [ 0.0002028000000000, -0.0000000700000000, 0.0002319900000000 ] - [ 0.0056944100000000, 0.0031320200000000, 0.0059573900000000 ] - [ 0.0059541500000000, -0.0033300500000000, -0.0063128700000000 ] - [ -0.0009391400000000, -0.0000061000000000, -0.0000350800000000 ] - [ 0.0002290600000000, -0.0000130700000000, -0.0000319300000000 ] - [ 0.0000001300000000, 0.0000001500000000, 0.0001770600000000 ] - [ -0.0000003600000000, 0.0000001600000000, 0.0001771900000000 ] - [ 0.0000002500000000, 0.0000004700000000, 0.0001770300000000 ] - [ 0.0000002200000000, -0.0000001900000000, 0.0001773100000000 ] - [ 0.0000081500000000, 0.0000298800000000, -0.0007072600000000 ] - [ 0.0000082400000000, -0.0000296400000000, -0.0005781100000000 ] - [ 0.0000273900000000, -0.0000000100000000, -0.0006426900000000 ] - [ -0.0000433300000000, 0.0000000600000000, -0.0006425900000000 ] - [ 0.0018271400000000, -0.0021945500000000, 0.0030236600000000 ] - [ 0.0018223600000000, 0.0022169200000000, -0.0040019700000000 ] - [ -0.0019956400000000, 0.0000058300000000, -0.0004700900000000 ] - [ -0.0007212900000000, 0.0000049300000000, -0.0004743600000000 ] - [ 0.0006051800000000, -0.0003488300000000, -0.0011637900000000 ] - [ 0.0006110700000000, 0.0003539800000000, 0.0000375700000000 ] - [ -0.0000005000000000, 0.0000000500000000, -0.0005704300000000 ] - [ -0.0000148800000000, -0.0000000200000000, -0.0005707200000000 ] - [ 0.0000025700000000, -0.0000001500000000, 0.0005653300000000 ] - [ -0.0000003700000000, -0.0000001300000000, 0.0005652900000000 ] - [ 0.0000001400000000, 0.0000001800000000, 0.0005653100000000 ] - [ 0.0000001400000000, -0.0000004000000000, 0.0005654100000000 ] - [ 0.0000025800000000, -0.0000001500000000, 0.0006734600000000 ] - [ -0.0000003300000000, -0.0000001100000000, 0.0006735300000000 ] - [ 0.0000000400000000, 0.0000001000000000, 0.0006732900000000 ] - [ 0.0000000800000000, -0.0000003400000000, 0.0006738300000000 ] - [ 0.0000019500000000, 0.0000016500000000, -0.0003455200000000 ] - [ 0.0000019800000000, -0.0000010600000000, -0.0003470700000000 ] - [ -0.0000021900000000, 0.0000002900000000, -0.0003463100000000 ] - [ -0.0000003700000000, 0.0000003000000000, -0.0003462200000000 ] - [ -0.0273119000000000, 0.0001848700000000, 0.0006961400000000 ] - [ 0.0106132400000000, 0.0000053300000000, 0.0004351900000000 ] - [ 0.0019927000000000, -0.0049858900000000, 0.0005425400000000 ] - [ 0.0019826400000000, 0.0049737200000000, 0.0003193100000000 ] - [ 0.0000008600000000, -0.0000003000000000, -0.0005314700000000 ] - [ 0.0000009100000000, 0.0000001600000000, -0.0005311800000000 ] - [ 0.0000005000000000, -0.0000001200000000, -0.0005313300000000 ] - [ 0.0000000900000000, -0.0000001200000000, -0.0005312100000000 ] - [ 0.0000292900000000, -0.0000000700000000, 0.0004379600000000 ] - [ -0.0000049100000000, 0.0000001000000000, 0.0004383000000000 ] - [ -0.0000456800000000, -0.0000235200000000, 0.0006032400000000 ] - [ -0.0000454500000000, 0.0000234200000000, 0.0002727200000000 ] - [ 0.0000313400000000, -0.0000000200000000, 0.0005044800000000 ] - [ 0.0000260400000000, -0.0000003700000000, 0.0005044600000000 ] - [ -0.0000493400000000, -0.0000430300000000, 0.0004622600000000 ] - [ -0.0000497700000000, 0.0000442400000000, 0.0005475500000000 ] - [ 0.0000005300000000, -0.0000001100000000, 0.0005233200000000 ] - [ 0.0000002100000000, -0.0000001400000000, 0.0005232900000000 ] - [ 0.0000007000000000, 0.0000001400000000, 0.0005232900000000 ] - [ 0.0000006800000000, -0.0000004000000000, 0.0005234600000000 ] - [ -0.0000003700000000, -0.0000002500000000, -0.0005768000000000 ] - [ -0.0000003800000000, 0.0000004100000000, -0.0005767900000000 ] - [ -0.0000001900000000, 0.0000001400000000, -0.0005767900000000 ] - [ 0.0000001900000000, 0.0000001400000000, -0.0005768100000000 ] - [ -0.0000002300000000, 0.0000006800000000, -0.0001106100000000 ] - [ -0.0000002200000000, -0.0000002900000000, -0.0001119700000000 ] - [ 0.0000009600000000, 0.0000002300000000, -0.0001113400000000 ] - [ -0.0000010600000000, 0.0000002500000000, -0.0001113000000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000003600000000, -0.0000002100000000, -0.0003663200000000 ] - [ 0.0000003600000000, -0.0000002100000000, -0.0003663200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003655500000000 ] - [ 0.0000000000000000, 0.0000004100000000, -0.0003663200000000 ] - [ 0.0000001600000000, -0.0000000900000000, 0.0002974600000000 ] - [ -0.0000001600000000, -0.0000000900000000, 0.0002974600000000 ] - [ 0.0000000000000000, 0.0000001900000000, 0.0002974600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002973600000000 ] - [ 0.0000051400000000, -0.0000029700000000, -0.0005637500000000 ] - [ -0.0000051400000000, -0.0000029700000000, -0.0005637500000000 ] - [ 0.0000000000000000, 0.0000059400000000, -0.0005637500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005635100000000 ] - [ 0.0000468500000000, 0.0000270500000000, 0.0001244500000000 ] - [ -0.0000468500000000, 0.0000270500000000, 0.0001244500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002140800000000 ] - [ 0.0000000000000000, -0.0000541000000000, 0.0001244500000000 ] - [ -0.0000022400000000, 0.0000012900000000, -0.0005040900000000 ] - [ 0.0000022400000000, 0.0000012900000000, -0.0005040900000000 ] - [ 0.0000000000000000, -0.0000025800000000, -0.0005040900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005007000000000 ] - [ -0.0000025700000000, 0.0000014900000000, 0.0000611000000000 ] - [ 0.0000025700000000, 0.0000014900000000, 0.0000611000000000 ] - [ 0.0000000000000000, -0.0000029700000000, 0.0000611000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000116800000000 ] - [ 0.0077875600000000, 0.0044961500000000, 0.0088839500000000 ] - [ -0.0077875600000000, 0.0044961500000000, 0.0088839500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028690800000000 ] - [ 0.0000000000000000, -0.0089923000000000, 0.0088839500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002681300000000 ] - [ 0.0000000000000000, -0.0000000100000000, 0.0002671500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002671500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002671500000000 ] - [ -0.0000317300000000, -0.0000183200000000, -0.0005391800000000 ] - [ 0.0000317300000000, -0.0000183200000000, -0.0005391800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005976700000000 ] - [ 0.0000000000000000, 0.0000366400000000, -0.0005391800000000 ] - [ 0.0034846700000000, -0.0020118800000000, 0.0032634100000000 ] - [ -0.0034846700000000, -0.0020118800000000, 0.0032634100000000 ] - [ 0.0000000000000000, 0.0040237600000000, 0.0032634100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014221000000000 ] - [ -0.0006102200000000, 0.0003523100000000, 0.0001242100000000 ] - [ 0.0006102200000000, 0.0003523100000000, 0.0001242100000000 ] - [ 0.0000000000000000, -0.0007046200000000, 0.0001242100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006405100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006592100000000 ] - [ 0.0000000000000000, -0.0000002700000000, 0.0006532900000000 ] - [ 0.0000002300000000, 0.0000001300000000, 0.0006532900000000 ] - [ -0.0000002300000000, 0.0000001300000000, 0.0006532900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007678000000000 ] - [ 0.0000000000000000, 0.0000000200000000, 0.0007619900000000 ] - [ -0.0000000100000000, -0.0000000100000000, 0.0007619900000000 ] - [ 0.0000000100000000, -0.0000000100000000, 0.0007619900000000 ] - [ 0.0000026400000000, 0.0000015300000000, -0.0002525400000000 ] - [ -0.0000026400000000, 0.0000015300000000, -0.0002525400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002627700000000 ] - [ 0.0000000000000000, -0.0000030500000000, -0.0002525400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0362893600000000 ] - [ 0.0000000000000000, -0.0001322100000000, -0.0013026100000000 ] - [ 0.0001145000000000, 0.0000661000000000, -0.0013026100000000 ] - [ -0.0001145000000000, 0.0000661000000000, -0.0013026100000000 ] - [ -0.0000000700000000, 0.0000000400000000, -0.0004402500000000 ] - [ 0.0000000700000000, 0.0000000400000000, -0.0004402500000000 ] - [ 0.0000000000000000, -0.0000000800000000, -0.0004402500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004412400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004388800000000 ] - [ 0.0000000000000000, 0.0000366100000000, 0.0005748300000000 ] - [ -0.0000317100000000, -0.0000183100000000, 0.0005748300000000 ] - [ 0.0000317100000000, -0.0000183100000000, 0.0005748300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005062000000000 ] - [ 0.0000000000000000, -0.0001940800000000, 0.0006401400000000 ] - [ 0.0001680800000000, 0.0000970400000000, 0.0006401400000000 ] - [ -0.0001680800000000, 0.0000970400000000, 0.0006401400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006140300000000 ] - [ 0.0000000000000000, 0.0000001700000000, 0.0006134700000000 ] - [ -0.0000001500000000, -0.0000000900000000, 0.0006134700000000 ] - [ 0.0000001500000000, -0.0000000900000000, 0.0006134700000000 ] - [ 0.0000000700000000, 0.0000000400000000, -0.0004856900000000 ] - [ -0.0000000700000000, 0.0000000400000000, -0.0004856900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004864000000000 ] - [ 0.0000000000000000, -0.0000000800000000, -0.0004856900000000 ] - [ 0.0000011300000000, 0.0000006500000000, -0.0000200400000000 ] - [ -0.0000011300000000, 0.0000006500000000, -0.0000200400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000214900000000 ] - [ 0.0000000000000000, -0.0000013000000000, -0.0000200400000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000003700000000, 0.0000002200000000, -0.0000059400000000 ] - [ -0.0000003700000000, 0.0000002200000000, -0.0000059400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000066700000000 ] - [ 0.0000000000000000, -0.0000004300000000, -0.0000059400000000 ] - [ -0.0000002200000000, 0.0000001200000000, 0.0006573100000000 ] - [ 0.0000002200000000, 0.0000001200000000, 0.0006573100000000 ] - [ 0.0000000000000000, -0.0000002500000000, 0.0006573100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006574300000000 ] - [ -0.0000050000000000, 0.0000028900000000, -0.0002025500000000 ] - [ 0.0000050000000000, 0.0000028900000000, -0.0002025500000000 ] - [ 0.0000000000000000, -0.0000057800000000, -0.0002025500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002028000000000 ] - [ -0.0000455200000000, -0.0000262800000000, 0.0002004700000000 ] - [ 0.0000455200000000, -0.0000262800000000, 0.0002004700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005305700000000 ] - [ 0.0000000000000000, 0.0000525600000000, 0.0002004700000000 ] - [ 0.0000023000000000, -0.0000013300000000, -0.0001409500000000 ] - [ -0.0000023000000000, -0.0000013300000000, -0.0001409500000000 ] - [ 0.0000000000000000, 0.0000026500000000, -0.0001409500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001444400000000 ] - [ 0.0000024100000000, -0.0000013900000000, 0.0004019000000000 ] - [ -0.0000024100000000, -0.0000013900000000, 0.0004019000000000 ] - [ 0.0000000000000000, 0.0000027800000000, 0.0004019000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004520400000000 ] - [ -0.0080282400000000, -0.0046351100000000, -0.0090575600000000 ] - [ 0.0080282400000000, -0.0046351100000000, -0.0090575600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029571900000000 ] - [ 0.0000000000000000, 0.0092702200000000, -0.0090575600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000843200000000 ] - [ 0.0000000000000000, -0.0000000100000000, 0.0000854600000000 ] - [ 0.0000000100000000, 0.0000000100000000, 0.0000854600000000 ] - [ -0.0000000100000000, 0.0000000100000000, 0.0000854600000000 ] - [ 0.0000320000000000, 0.0000184700000000, -0.0007451900000000 ] - [ -0.0000320000000000, 0.0000184700000000, -0.0007451900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006861400000000 ] - [ 0.0000000000000000, -0.0000369500000000, -0.0007451900000000 ] - [ -0.0035362500000000, 0.0020416600000000, -0.0042758400000000 ] - [ 0.0035362500000000, 0.0020416600000000, -0.0042758400000000 ] - [ 0.0000000000000000, -0.0040833100000000, -0.0042758400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004738100000000 ] - [ 0.0005906300000000, -0.0003410000000000, -0.0012415300000000 ] - [ -0.0005906300000000, -0.0003410000000000, -0.0012415300000000 ] - [ 0.0000000000000000, 0.0006820000000000, -0.0012415300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005018100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004688700000000 ] - [ 0.0000000000000000, 0.0000002200000000, 0.0004747100000000 ] - [ -0.0000001900000000, -0.0000001100000000, 0.0004747100000000 ] - [ 0.0000001900000000, -0.0000001100000000, 0.0004747100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005768400000000 ] - [ 0.0000000000000000, 0.0000000700000000, 0.0005827300000000 ] - [ -0.0000000600000000, -0.0000000400000000, 0.0005827300000000 ] - [ 0.0000000600000000, -0.0000000400000000, 0.0005827300000000 ] - [ -0.0000026500000000, -0.0000015300000000, -0.0004367900000000 ] - [ 0.0000026500000000, -0.0000015300000000, -0.0004367900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004268300000000 ] - [ 0.0000000000000000, 0.0000030600000000, -0.0004367900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0376077700000000 ] - [ 0.0000000000000000, 0.0001253300000000, 0.0021531700000000 ] - [ -0.0001085400000000, -0.0000626700000000, 0.0021531700000000 ] - [ 0.0001085400000000, -0.0000626700000000, 0.0021531700000000 ] - [ 0.0000000100000000, -0.0000000100000000, -0.0006199700000000 ] - [ -0.0000000100000000, -0.0000000100000000, -0.0006199700000000 ] - [ 0.0000000000000000, 0.0000000200000000, -0.0006199700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006189300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004367800000000 ] - [ 0.0000000000000000, -0.0000365600000000, 0.0002996800000000 ] - [ 0.0000316600000000, 0.0000182800000000, 0.0002996800000000 ] - [ -0.0000316600000000, 0.0000182800000000, 0.0002996800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004994400000000 ] - [ 0.0000000000000000, 0.0001890200000000, 0.0003694100000000 ] - [ -0.0001636900000000, -0.0000945100000000, 0.0003694100000000 ] - [ 0.0001636900000000, -0.0000945100000000, 0.0003694100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004310700000000 ] - [ 0.0000000000000000, -0.0000001700000000, 0.0004315500000000 ] - [ 0.0000001400000000, 0.0000000800000000, 0.0004315500000000 ] - [ -0.0000001400000000, 0.0000000800000000, 0.0004315500000000 ] - [ -0.0000000600000000, -0.0000000400000000, -0.0006664800000000 ] - [ 0.0000000600000000, -0.0000000400000000, -0.0006664800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006658800000000 ] - [ 0.0000000000000000, 0.0000000700000000, -0.0006664800000000 ] - [ -0.0000011400000000, -0.0000006600000000, -0.0002001000000000 ] - [ 0.0000011400000000, -0.0000006600000000, -0.0002001000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001987000000000 ] - [ 0.0000000000000000, 0.0000013100000000, -0.0002001000000000 ]- atom: 61 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002298400000000, 0.0000132500000000, -0.0001931400000000 ] - [ -0.0009372700000000, 0.0000061700000000, -0.0001899200000000 ] - [ 0.0057176300000000, -0.0031448500000000, -0.0062134200000000 ] - [ 0.0059779500000000, 0.0033434000000000, 0.0061193900000000 ] - [ -0.0000287200000000, -0.0000001800000000, 0.0004778000000000 ] - [ -0.0000821400000000, -0.0000008600000000, 0.0004775900000000 ] - [ 0.0000197200000000, 0.0000593100000000, 0.0004889600000000 ] - [ 0.0000182600000000, -0.0000574500000000, 0.0004675700000000 ] - [ -0.0000025100000000, 0.0000000400000000, -0.0003817200000000 ] - [ 0.0000013900000000, -0.0000000500000000, -0.0003817800000000 ] - [ 0.0000001500000000, -0.0000007500000000, -0.0003825100000000 ] - [ 0.0000000500000000, 0.0000007400000000, -0.0003810100000000 ] - [ -0.0000002400000000, -0.0000000500000000, 0.0001619100000000 ] - [ -0.0000001100000000, -0.0000000800000000, 0.0001619100000000 ] - [ -0.0000002500000000, -0.0000000600000000, 0.0001617200000000 ] - [ -0.0000002700000000, -0.0000000500000000, 0.0001620900000000 ] - [ 0.0000060000000000, -0.0000002300000000, -0.0003213500000000 ] - [ 0.0000059100000000, 0.0000000000000000, -0.0003211500000000 ] - [ -0.0000212800000000, -0.0000154900000000, -0.0002718300000000 ] - [ -0.0000209700000000, 0.0000157500000000, -0.0003710300000000 ] - [ -0.0000025700000000, -0.0000001300000000, 0.0002329000000000 ] - [ 0.0000030000000000, -0.0000000800000000, 0.0002329200000000 ] - [ -0.0000006100000000, -0.0000021300000000, 0.0002310500000000 ] - [ -0.0000005200000000, 0.0000019800000000, 0.0002347600000000 ] - [ -0.0000000500000000, 0.0000000600000000, -0.0000395600000000 ] - [ -0.0000002500000000, 0.0000000500000000, -0.0000395500000000 ] - [ 0.0000002500000000, -0.0000001400000000, -0.0000392500000000 ] - [ 0.0000002500000000, 0.0000001800000000, -0.0000399400000000 ] - [ 0.0018051200000000, -0.0022294000000000, 0.0036928800000000 ] - [ 0.0018099900000000, 0.0022069800000000, -0.0033131700000000 ] - [ -0.0020343800000000, -0.0000056800000000, 0.0001706700000000 ] - [ -0.0007420200000000, -0.0000048400000000, 0.0001750300000000 ] - [ 0.0000002600000000, 0.0000000700000000, -0.0006425100000000 ] - [ -0.0000004900000000, 0.0000000600000000, -0.0006425300000000 ] - [ -0.0000008800000000, 0.0000007200000000, -0.0006388000000000 ] - [ -0.0000008900000000, -0.0000006000000000, -0.0006462900000000 ] - [ 0.0000007000000000, 0.0000000000000000, -0.0004756300000000 ] - [ 0.0000002000000000, -0.0000000200000000, -0.0004756400000000 ] - [ 0.0000008100000000, 0.0000003500000000, -0.0004757700000000 ] - [ 0.0000007800000000, -0.0000003300000000, -0.0004756700000000 ] - [ 0.0000005200000000, -0.0000002200000000, -0.0005696900000000 ] - [ 0.0000002200000000, -0.0000002100000000, -0.0005696900000000 ] - [ 0.0000006800000000, 0.0000000500000000, -0.0005697200000000 ] - [ 0.0000007000000000, -0.0000004800000000, -0.0005696500000000 ] - [ 0.0000022500000000, -0.0000014300000000, 0.0005671800000000 ] - [ 0.0000022600000000, 0.0000011700000000, 0.0005621200000000 ] - [ 0.0000000200000000, -0.0000001300000000, 0.0005647100000000 ] - [ -0.0000018700000000, -0.0000001100000000, 0.0005647600000000 ] - [ 0.0000087600000000, -0.0000300300000000, 0.0006409200000000 ] - [ 0.0000086200000000, 0.0000299200000000, 0.0007047000000000 ] - [ -0.0000432300000000, -0.0000001600000000, 0.0006728500000000 ] - [ 0.0000279500000000, -0.0000002000000000, 0.0006729000000000 ] - [ 0.0000004700000000, 0.0000002700000000, -0.0003462800000000 ] - [ -0.0000009600000000, 0.0000002800000000, -0.0003462500000000 ] - [ -0.0000008500000000, 0.0000010600000000, -0.0003467300000000 ] - [ -0.0000008100000000, -0.0000004500000000, -0.0003457000000000 ] - [ 0.0000002200000000, -0.0000000900000000, 0.0004307000000000 ] - [ 0.0000002600000000, 0.0000003300000000, 0.0004309700000000 ] - [ -0.0000000900000000, 0.0000001400000000, 0.0004307900000000 ] - [ -0.0000005600000000, 0.0000001200000000, 0.0004307400000000 ] - [ -0.0273922100000000, -0.0001853100000000, -0.0007994800000000 ] - [ 0.0106564900000000, -0.0000057400000000, -0.0005345200000000 ] - [ 0.0019650200000000, -0.0050086300000000, -0.0004087900000000 ] - [ 0.0019749400000000, 0.0050213300000000, -0.0006523500000000 ] - [ 0.0000000100000000, 0.0000010700000000, 0.0004365200000000 ] - [ 0.0000000200000000, -0.0000013100000000, 0.0004378200000000 ] - [ 0.0000021100000000, -0.0000001400000000, 0.0004371300000000 ] - [ -0.0000015400000000, -0.0000001500000000, 0.0004371600000000 ] - [ -0.0000004100000000, 0.0000004900000000, 0.0005038800000000 ] - [ -0.0000003800000000, -0.0000002300000000, 0.0005037500000000 ] - [ 0.0000001900000000, 0.0000001100000000, 0.0005037900000000 ] - [ -0.0000002500000000, 0.0000001300000000, 0.0005038700000000 ] - [ 0.0004688400000000, -0.0002810000000000, -0.0001076200000000 ] - [ 0.0004637100000000, 0.0002740400000000, 0.0011393000000000 ] - [ -0.0000143800000000, -0.0000004200000000, 0.0005231400000000 ] - [ -0.0000215600000000, -0.0000006400000000, 0.0005234900000000 ] - [ -0.0000071300000000, 0.0000000400000000, -0.0005769200000000 ] - [ 0.0001246900000000, 0.0000001600000000, -0.0005775000000000 ] - [ -0.0000163700000000, 0.0000054200000000, -0.0005774100000000 ] - [ -0.0000160300000000, -0.0000050600000000, -0.0005755900000000 ] - [ -0.0000066800000000, 0.0000001300000000, -0.0001109900000000 ] - [ 0.0001257700000000, -0.0000000100000000, -0.0001116100000000 ] - [ -0.0000156500000000, 0.0000053100000000, -0.0000989600000000 ] - [ -0.0000156100000000, -0.0000050100000000, -0.0001237100000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0093001000000000, 0.0088401400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027204500000000 ] - [ -0.0080541200000000, 0.0046500500000000, 0.0088401400000000 ] - [ 0.0080541200000000, 0.0046500500000000, 0.0088401400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002947000000000 ] - [ 0.0000000000000000, 0.0002885700000000, 0.0004100800000000 ] - [ -0.0002499100000000, -0.0001442900000000, 0.0004100800000000 ] - [ 0.0002499100000000, -0.0001442900000000, 0.0004100800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005677900000000 ] - [ 0.0000000000000000, 0.0000053100000000, -0.0005570000000000 ] - [ -0.0000046000000000, -0.0000026600000000, -0.0005570000000000 ] - [ 0.0000046000000000, -0.0000026600000000, -0.0005570000000000 ] - [ 0.0000000000000000, 0.0000000800000000, -0.0000151600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000147200000000 ] - [ 0.0000000700000000, -0.0000000400000000, -0.0000151600000000 ] - [ -0.0000000700000000, -0.0000000400000000, -0.0000151600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003772900000000 ] - [ 0.0000000000000000, -0.0001842600000000, -0.0005452400000000 ] - [ 0.0001595700000000, 0.0000921300000000, -0.0005452400000000 ] - [ -0.0001595700000000, 0.0000921300000000, -0.0005452400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000558100000000 ] - [ 0.0000000000000000, 0.0000026100000000, 0.0000558800000000 ] - [ -0.0000022600000000, -0.0000013000000000, 0.0000558800000000 ] - [ 0.0000022600000000, -0.0000013000000000, 0.0000558800000000 ] - [ 0.0000000000000000, 0.0000003200000000, -0.0002173800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002166100000000 ] - [ 0.0000002800000000, -0.0000001600000000, -0.0002173800000000 ] - [ -0.0000002800000000, -0.0000001600000000, -0.0002173800000000 ] - [ 0.0035070400000000, -0.0020247900000000, 0.0039803100000000 ] - [ -0.0035070400000000, -0.0020247900000000, 0.0039803100000000 ] - [ 0.0000000000000000, 0.0040495800000000, 0.0039803100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007901700000000 ] - [ 0.0000000000000000, -0.0000012100000000, -0.0005528700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005585300000000 ] - [ -0.0000010400000000, 0.0000006000000000, -0.0005528700000000 ] - [ 0.0000010400000000, 0.0000006000000000, -0.0005528700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003864300000000 ] - [ 0.0000000000000000, -0.0000000200000000, -0.0003874300000000 ] - [ 0.0000000200000000, 0.0000000100000000, -0.0003874300000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0003874300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004807800000000 ] - [ 0.0000000000000000, 0.0000001500000000, -0.0004812800000000 ] - [ -0.0000001300000000, -0.0000000700000000, -0.0004812800000000 ] - [ 0.0000001300000000, -0.0000000700000000, -0.0004812800000000 ] - [ 0.0000008900000000, -0.0000005200000000, 0.0006554300000000 ] - [ -0.0000008900000000, -0.0000005200000000, 0.0006554300000000 ] - [ 0.0000000000000000, 0.0000010300000000, 0.0006554300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006457100000000 ] - [ -0.0000646000000000, 0.0000372900000000, 0.0007746400000000 ] - [ 0.0000646000000000, 0.0000372900000000, 0.0007746400000000 ] - [ 0.0000000000000000, -0.0000745900000000, 0.0007746400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007153300000000 ] - [ 0.0000000000000000, 0.0000051100000000, -0.0002580500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002588000000000 ] - [ 0.0000044300000000, -0.0000025600000000, -0.0002580500000000 ] - [ -0.0000044300000000, -0.0000025600000000, -0.0002580500000000 ] - [ -0.0000000500000000, 0.0000000300000000, 0.0005195700000000 ] - [ 0.0000000500000000, 0.0000000300000000, 0.0005195700000000 ] - [ 0.0000000000000000, -0.0000000600000000, 0.0005195700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005185800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0375873500000000 ] - [ 0.0000000000000000, -0.0001370900000000, -0.0022885900000000 ] - [ 0.0001187200000000, 0.0000685400000000, -0.0022885900000000 ] - [ -0.0001187200000000, 0.0000685400000000, -0.0022885900000000 ] - [ -0.0000000800000000, 0.0000000500000000, 0.0005259600000000 ] - [ 0.0000000800000000, 0.0000000500000000, 0.0005259600000000 ] - [ 0.0000000000000000, -0.0000000900000000, 0.0005259600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005276900000000 ] - [ 0.0000002100000000, -0.0000001200000000, 0.0005930800000000 ] - [ -0.0000002100000000, -0.0000001200000000, 0.0005930800000000 ] - [ 0.0000000000000000, 0.0000002500000000, 0.0005930800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005932600000000 ] - [ -0.0004746700000000, 0.0002740500000000, 0.0011747500000000 ] - [ 0.0004746700000000, 0.0002740500000000, 0.0011747500000000 ] - [ 0.0000000000000000, -0.0005481000000000, 0.0011747500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004556300000000 ] - [ 0.0000000000000000, -0.0000146100000000, -0.0005739600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001925100000000 ] - [ -0.0000126600000000, 0.0000073100000000, -0.0005739600000000 ] - [ 0.0000126600000000, 0.0000073100000000, -0.0005739600000000 ] - [ 0.0000000000000000, 0.0000010300000000, -0.0001102100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002758300000000 ] - [ 0.0000008900000000, -0.0000005200000000, -0.0001102100000000 ] - [ -0.0000008900000000, -0.0000005200000000, -0.0001102100000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0090215300000000, -0.0091164000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030824500000000 ] - [ 0.0078128800000000, -0.0045107700000000, -0.0091164000000000 ] - [ -0.0078128800000000, -0.0045107700000000, -0.0091164000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006620800000000 ] - [ 0.0000000000000000, -0.0002960900000000, 0.0005452200000000 ] - [ 0.0002564200000000, 0.0001480400000000, 0.0005452200000000 ] - [ -0.0002564200000000, 0.0001480400000000, 0.0005452200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001941800000000 ] - [ 0.0000000000000000, -0.0000055100000000, -0.0002054800000000 ] - [ 0.0000047700000000, 0.0000027500000000, -0.0002054800000000 ] - [ -0.0000047700000000, 0.0000027500000000, -0.0002054800000000 ] - [ 0.0000000000000000, -0.0000001900000000, 0.0003402300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003396800000000 ] - [ -0.0000001600000000, 0.0000000900000000, 0.0003402300000000 ] - [ 0.0000001600000000, 0.0000000900000000, 0.0003402300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002628800000000 ] - [ 0.0000000000000000, 0.0001829600000000, -0.0000965300000000 ] - [ -0.0001584500000000, -0.0000914800000000, -0.0000965300000000 ] - [ 0.0001584500000000, -0.0000914800000000, -0.0000965300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004113100000000 ] - [ 0.0000000000000000, -0.0000026600000000, 0.0004112100000000 ] - [ 0.0000023000000000, 0.0000013300000000, 0.0004112100000000 ] - [ -0.0000023000000000, 0.0000013300000000, 0.0004112100000000 ] - [ 0.0000000000000000, -0.0000004800000000, 0.0001393500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001385100000000 ] - [ -0.0000004100000000, 0.0000002400000000, 0.0001393500000000 ] - [ 0.0000004100000000, 0.0000002400000000, 0.0001393500000000 ] - [ -0.0034559700000000, 0.0019953000000000, -0.0035641500000000 ] - [ 0.0034559700000000, 0.0019953000000000, -0.0035641500000000 ] - [ 0.0000000000000000, -0.0039906100000000, -0.0035641500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011423900000000 ] - [ 0.0000000000000000, 0.0000011900000000, -0.0007328200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007271500000000 ] - [ 0.0000010300000000, -0.0000005900000000, -0.0007328200000000 ] - [ -0.0000010300000000, -0.0000005900000000, -0.0007328200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005643600000000 ] - [ 0.0000000000000000, -0.0000000500000000, -0.0005632800000000 ] - [ 0.0000000400000000, 0.0000000200000000, -0.0005632800000000 ] - [ -0.0000000400000000, 0.0000000200000000, -0.0005632800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006591400000000 ] - [ 0.0000000000000000, -0.0000001800000000, -0.0006585900000000 ] - [ 0.0000001600000000, 0.0000000900000000, -0.0006585900000000 ] - [ -0.0000001600000000, 0.0000000900000000, -0.0006585900000000 ] - [ -0.0000008700000000, 0.0000005000000000, 0.0004726800000000 ] - [ 0.0000008700000000, 0.0000005000000000, 0.0004726800000000 ] - [ 0.0000000000000000, -0.0000010000000000, 0.0004726800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004829900000000 ] - [ 0.0000642600000000, -0.0000371000000000, 0.0005702600000000 ] - [ -0.0000642600000000, -0.0000371000000000, 0.0005702600000000 ] - [ 0.0000000000000000, 0.0000742100000000, 0.0005702600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006289500000000 ] - [ 0.0000000000000000, -0.0000052900000000, -0.0004336500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004330600000000 ] - [ -0.0000045800000000, 0.0000026500000000, -0.0004336500000000 ] - [ 0.0000045800000000, 0.0000026500000000, -0.0004336500000000 ] - [ 0.0000000500000000, -0.0000000300000000, 0.0003409500000000 ] - [ -0.0000000500000000, -0.0000000300000000, 0.0003409500000000 ] - [ 0.0000000000000000, 0.0000000600000000, 0.0003409500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003419600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0360652900000000 ] - [ 0.0000000000000000, 0.0001442500000000, 0.0012367300000000 ] - [ -0.0001249300000000, -0.0000721300000000, 0.0012367300000000 ] - [ 0.0001249300000000, -0.0000721300000000, 0.0012367300000000 ] - [ 0.0000000200000000, -0.0000000100000000, 0.0003481200000000 ] - [ -0.0000000200000000, -0.0000000100000000, 0.0003481200000000 ] - [ 0.0000000000000000, 0.0000000300000000, 0.0003481200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003464300000000 ] - [ -0.0000002100000000, 0.0000001200000000, 0.0004144900000000 ] - [ 0.0000002100000000, 0.0000001200000000, 0.0004144900000000 ] - [ 0.0000000000000000, -0.0000002500000000, 0.0004144900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004143600000000 ] - [ 0.0004899700000000, -0.0002828800000000, -0.0001501300000000 ] - [ -0.0004899700000000, -0.0002828800000000, -0.0001501300000000 ] - [ 0.0000000000000000, 0.0005657600000000, -0.0001501300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005930400000000 ] - [ 0.0000000000000000, 0.0000151200000000, -0.0005779000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009691600000000 ] - [ 0.0000130900000000, -0.0000075600000000, -0.0005779000000000 ] - [ -0.0000130900000000, -0.0000075600000000, -0.0005779000000000 ] - [ 0.0000000000000000, -0.0000008700000000, -0.0001127800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004972400000000 ] - [ -0.0000007600000000, 0.0000004400000000, -0.0001127800000000 ] - [ 0.0000007600000000, 0.0000004400000000, -0.0001127800000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000002600000000, -0.0000016700000000, -0.0001837600000000 ] - [ -0.0000002600000000, 0.0000016600000000, -0.0001867400000000 ] - [ -0.0000020600000000, -0.0000000100000000, -0.0001852700000000 ] - [ 0.0000026200000000, -0.0000000100000000, -0.0001852600000000 ] - [ 0.0000002700000000, -0.0000002600000000, 0.0004775400000000 ] - [ 0.0000004400000000, -0.0000000700000000, 0.0004782300000000 ] - [ 0.0000002100000000, -0.0000000600000000, 0.0004778400000000 ] - [ -0.0000001300000000, 0.0000000400000000, 0.0004778800000000 ] - [ -0.0000001000000000, 0.0000000400000000, -0.0003822000000000 ] - [ -0.0000000900000000, -0.0000000300000000, -0.0003825500000000 ] - [ -0.0000000500000000, -0.0000000300000000, -0.0003823900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003823500000000 ] - [ 0.0000006700000000, -0.0000005200000000, 0.0001622700000000 ] - [ 0.0000006900000000, 0.0000003300000000, 0.0001602100000000 ] - [ -0.0000017900000000, -0.0000000500000000, 0.0001612800000000 ] - [ 0.0000014100000000, -0.0000000100000000, 0.0001612000000000 ] - [ -0.0000114200000000, 0.0000894900000000, -0.0002278100000000 ] - [ -0.0000117300000000, -0.0000894100000000, -0.0004160200000000 ] - [ 0.0001433700000000, 0.0000001200000000, -0.0003220400000000 ] - [ -0.0001121300000000, -0.0000000600000000, -0.0003220200000000 ] - [ 0.0056111700000000, -0.0030935100000000, 0.0061514200000000 ] - [ 0.0058735700000000, 0.0032915700000000, -0.0059613300000000 ] - [ 0.0002137700000000, 0.0000149900000000, 0.0002414900000000 ] - [ -0.0009389600000000, 0.0000063900000000, 0.0002375900000000 ] - [ 0.0000031900000000, 0.0000309800000000, -0.0000531900000000 ] - [ 0.0000047200000000, -0.0000297800000000, -0.0000263000000000 ] - [ -0.0001478500000000, -0.0000027400000000, -0.0000398700000000 ] - [ -0.0000486300000000, -0.0000000700000000, -0.0000405800000000 ] - [ -0.0000000400000000, 0.0000001400000000, 0.0001771700000000 ] - [ 0.0000014500000000, 0.0000001500000000, 0.0001773100000000 ] - [ -0.0000001700000000, -0.0000008000000000, 0.0001815100000000 ] - [ -0.0000001900000000, 0.0000011000000000, 0.0001730200000000 ] - [ 0.0018067900000000, 0.0022096400000000, 0.0028191400000000 ] - [ 0.0018035800000000, -0.0022317500000000, -0.0041321300000000 ] - [ -0.0007390500000000, -0.0000046700000000, -0.0006413500000000 ] - [ -0.0020410800000000, -0.0000066400000000, -0.0006363200000000 ] - [ 0.0004626700000000, -0.0002745600000000, -0.0009536400000000 ] - [ 0.0004686700000000, 0.0002806200000000, 0.0000140700000000 ] - [ -0.0000151200000000, 0.0000037500000000, -0.0004795900000000 ] - [ -0.0000212700000000, 0.0000001200000000, -0.0004761400000000 ] - [ 0.0000008700000000, -0.0000014200000000, -0.0005711000000000 ] - [ 0.0000008500000000, 0.0000010000000000, -0.0005688400000000 ] - [ -0.0000012400000000, -0.0000002100000000, -0.0005699100000000 ] - [ -0.0000026300000000, -0.0000002300000000, -0.0005699500000000 ] - [ 0.0000005200000000, -0.0000001500000000, 0.0005653000000000 ] - [ 0.0000002500000000, -0.0000001400000000, 0.0005652900000000 ] - [ 0.0000007200000000, 0.0000001500000000, 0.0005652700000000 ] - [ 0.0000007100000000, -0.0000003800000000, 0.0005654300000000 ] - [ 0.0000316700000000, -0.0000002400000000, 0.0006734900000000 ] - [ 0.0000265600000000, -0.0000003700000000, 0.0006739000000000 ] - [ -0.0000488700000000, -0.0000439400000000, 0.0005080900000000 ] - [ -0.0000490600000000, 0.0000432700000000, 0.0008392300000000 ] - [ -0.0000002500000000, -0.0000000700000000, -0.0003462700000000 ] - [ -0.0000002200000000, 0.0000006200000000, -0.0003463900000000 ] - [ -0.0000000900000000, 0.0000002900000000, -0.0003463000000000 ] - [ 0.0000003800000000, 0.0000003000000000, -0.0003462600000000 ] - [ 0.0000288500000000, -0.0000001800000000, 0.0004312100000000 ] - [ -0.0000054100000000, -0.0000005500000000, 0.0004320500000000 ] - [ -0.0000465400000000, -0.0000227900000000, 0.0003996500000000 ] - [ -0.0000455400000000, 0.0000240900000000, 0.0004631600000000 ] - [ 0.0000002000000000, 0.0000010800000000, -0.0005315600000000 ] - [ 0.0000002500000000, -0.0000012400000000, -0.0005313400000000 ] - [ 0.0000022500000000, -0.0000001200000000, -0.0005314600000000 ] - [ -0.0000014300000000, -0.0000001300000000, -0.0005313500000000 ] - [ -0.0269312800000000, -0.0002005400000000, 0.0007041900000000 ] - [ 0.0107538100000000, -0.0000056400000000, 0.0004413900000000 ] - [ 0.0019867500000000, -0.0050527500000000, 0.0002759300000000 ] - [ 0.0019966500000000, 0.0050645600000000, 0.0005980900000000 ] - [ -0.0000000500000000, 0.0000001300000000, 0.0005046400000000 ] - [ 0.0000014400000000, 0.0000001400000000, 0.0005046100000000 ] - [ -0.0000001300000000, -0.0000007700000000, 0.0005045600000000 ] - [ -0.0000001100000000, 0.0000010000000000, 0.0005047500000000 ] - [ 0.0000005800000000, -0.0000001200000000, 0.0005233600000000 ] - [ 0.0000001200000000, -0.0000001500000000, 0.0005233500000000 ] - [ 0.0000007100000000, 0.0000002000000000, 0.0005233000000000 ] - [ 0.0000006900000000, -0.0000004600000000, 0.0005235500000000 ] - [ 0.0000002900000000, 0.0000001800000000, -0.0005769600000000 ] - [ 0.0000002600000000, -0.0000000300000000, -0.0005769000000000 ] - [ -0.0000005500000000, 0.0000001400000000, -0.0005769100000000 ] - [ 0.0000000800000000, 0.0000001300000000, -0.0005769400000000 ] - [ 0.0000057900000000, -0.0000361400000000, -0.0000978700000000 ] - [ 0.0000057700000000, 0.0000364500000000, -0.0001248200000000 ] - [ -0.0000891600000000, 0.0000002900000000, -0.0001114300000000 ] - [ 0.0000686500000000, 0.0000002800000000, -0.0001115000000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000028400000000, 0.0000016400000000, -0.0003663100000000 ] - [ -0.0000028400000000, 0.0000016400000000, -0.0003663100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003677300000000 ] - [ 0.0000000000000000, -0.0000032800000000, -0.0003663100000000 ] - [ -0.0000003500000000, 0.0000002000000000, 0.0002987000000000 ] - [ 0.0000003500000000, 0.0000002000000000, 0.0002987000000000 ] - [ 0.0000000000000000, -0.0000004000000000, 0.0002987000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002995600000000 ] - [ -0.0000001900000000, 0.0000001100000000, -0.0005638500000000 ] - [ 0.0000001900000000, 0.0000001100000000, -0.0005638500000000 ] - [ 0.0000000000000000, -0.0000002200000000, -0.0005638500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005634700000000 ] - [ -0.0000104800000000, -0.0000060500000000, -0.0000207400000000 ] - [ 0.0000104800000000, -0.0000060500000000, -0.0000207400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000105900000000 ] - [ 0.0000000000000000, 0.0000121000000000, -0.0000207400000000 ] - [ 0.0000611000000000, -0.0000352800000000, -0.0005111300000000 ] - [ -0.0000611000000000, -0.0000352800000000, -0.0005111300000000 ] - [ 0.0000000000000000, 0.0000705600000000, -0.0005111300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004867500000000 ] - [ 0.0077928200000000, -0.0044991900000000, 0.0091453500000000 ] - [ -0.0077928200000000, -0.0044991900000000, 0.0091453500000000 ] - [ 0.0000000000000000, 0.0089983700000000, 0.0091453500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031213900000000 ] - [ 0.0000366300000000, 0.0000211500000000, -0.0000720600000000 ] - [ -0.0000366300000000, 0.0000211500000000, -0.0000720600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004220700000000 ] - [ 0.0000000000000000, -0.0000423000000000, -0.0000720600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002647500000000 ] - [ 0.0000000000000000, -0.0000000400000000, 0.0002691100000000 ] - [ 0.0000000400000000, 0.0000000200000000, 0.0002691100000000 ] - [ -0.0000000400000000, 0.0000000200000000, 0.0002691100000000 ] - [ 0.0034768800000000, 0.0020073800000000, 0.0030994400000000 ] - [ -0.0034768800000000, 0.0020073800000000, 0.0030994400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016050500000000 ] - [ 0.0000000000000000, -0.0040147600000000, 0.0030994400000000 ] - [ -0.0006354500000000, 0.0003668800000000, 0.0002028300000000 ] - [ 0.0006354500000000, 0.0003668800000000, 0.0002028300000000 ] - [ 0.0000000000000000, -0.0007337600000000, 0.0002028300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005448800000000 ] - [ -0.0000006300000000, 0.0000003600000000, -0.0004843700000000 ] - [ 0.0000006300000000, 0.0000003600000000, -0.0004843700000000 ] - [ 0.0000000000000000, -0.0000007300000000, -0.0004843700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004559900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006556200000000 ] - [ 0.0000000000000000, -0.0000001300000000, 0.0006551900000000 ] - [ 0.0000001200000000, 0.0000000700000000, 0.0006551900000000 ] - [ -0.0000001200000000, 0.0000000700000000, 0.0006551900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006760100000000 ] - [ 0.0000000000000000, -0.0000491500000000, 0.0008072000000000 ] - [ 0.0000425600000000, 0.0000245700000000, 0.0008072000000000 ] - [ -0.0000425600000000, 0.0000245700000000, 0.0008072000000000 ] - [ 0.0000001200000000, 0.0000000700000000, -0.0002548100000000 ] - [ -0.0000001200000000, 0.0000000700000000, -0.0002548100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002546300000000 ] - [ 0.0000000000000000, -0.0000001400000000, -0.0002548100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004298900000000 ] - [ 0.0000000000000000, -0.0001934800000000, 0.0005684100000000 ] - [ 0.0001675600000000, 0.0000967400000000, 0.0005684100000000 ] - [ -0.0001675600000000, 0.0000967400000000, 0.0005684100000000 ] - [ -0.0000006000000000, 0.0000003500000000, -0.0004409000000000 ] - [ 0.0000006000000000, 0.0000003500000000, -0.0004409000000000 ] - [ 0.0000000000000000, -0.0000006900000000, -0.0004409000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004391500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0363069000000000 ] - [ 0.0000000000000000, 0.0001896700000000, -0.0012652600000000 ] - [ -0.0001642600000000, -0.0000948300000000, -0.0012652600000000 ] - [ 0.0001642600000000, -0.0000948300000000, -0.0012652600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005918300000000 ] - [ 0.0000000000000000, 0.0000050500000000, 0.0005962700000000 ] - [ -0.0000043800000000, -0.0000025300000000, 0.0005962700000000 ] - [ 0.0000043800000000, -0.0000025300000000, 0.0005962700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006144100000000 ] - [ 0.0000000000000000, 0.0000000100000000, 0.0006132800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006132800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006132800000000 ] - [ -0.0000000300000000, -0.0000000200000000, -0.0004854000000000 ] - [ 0.0000000300000000, -0.0000000200000000, -0.0004854000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004863000000000 ] - [ 0.0000000000000000, 0.0000000300000000, -0.0004854000000000 ] - [ 0.0000129400000000, 0.0000074700000000, -0.0000391500000000 ] - [ -0.0000129400000000, 0.0000074700000000, -0.0000391500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000346700000000 ] - [ 0.0000000000000000, -0.0000149400000000, -0.0000391500000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000028500000000, -0.0000016400000000, -0.0000064500000000 ] - [ 0.0000028500000000, -0.0000016400000000, -0.0000064500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000050600000000 ] - [ 0.0000000000000000, 0.0000032900000000, -0.0000064500000000 ] - [ 0.0000003500000000, -0.0000002000000000, 0.0006570900000000 ] - [ -0.0000003500000000, -0.0000002000000000, 0.0006570900000000 ] - [ 0.0000000000000000, 0.0000004100000000, 0.0006570900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006562400000000 ] - [ 0.0000002000000000, -0.0000001100000000, -0.0002023100000000 ] - [ -0.0000002000000000, -0.0000001100000000, -0.0002023100000000 ] - [ 0.0000000000000000, 0.0000002300000000, -0.0002023100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002027100000000 ] - [ 0.0000102200000000, 0.0000059000000000, 0.0003424300000000 ] - [ -0.0000102200000000, 0.0000059000000000, 0.0003424300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003325800000000 ] - [ 0.0000000000000000, -0.0000118000000000, 0.0003424300000000 ] - [ -0.0000615200000000, 0.0000355200000000, -0.0001334100000000 ] - [ 0.0000615200000000, 0.0000355200000000, -0.0001334100000000 ] - [ 0.0000000000000000, -0.0000710400000000, -0.0001334100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001578700000000 ] - [ -0.0080335300000000, 0.0046381600000000, -0.0087730100000000 ] - [ 0.0080335300000000, 0.0046381600000000, -0.0087730100000000 ] - [ 0.0000000000000000, -0.0092763200000000, -0.0087730100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026635000000000 ] - [ -0.0000350300000000, -0.0000202300000000, -0.0000058200000000 ] - [ 0.0000350300000000, -0.0000202300000000, -0.0000058200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003352100000000 ] - [ 0.0000000000000000, 0.0000404500000000, -0.0000058200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000883900000000 ] - [ 0.0000000000000000, 0.0000000500000000, 0.0000841900000000 ] - [ -0.0000000400000000, -0.0000000300000000, 0.0000841900000000 ] - [ 0.0000000400000000, -0.0000000300000000, 0.0000841900000000 ] - [ -0.0035286700000000, -0.0020372800000000, -0.0044463000000000 ] - [ 0.0035286700000000, -0.0020372800000000, -0.0044463000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003223300000000 ] - [ 0.0000000000000000, 0.0040745600000000, -0.0044463000000000 ] - [ 0.0006155200000000, -0.0003553700000000, -0.0011293900000000 ] - [ -0.0006155200000000, -0.0003553700000000, -0.0011293900000000 ] - [ 0.0000000000000000, 0.0007107400000000, -0.0011293900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004080200000000 ] - [ 0.0000006000000000, -0.0000003500000000, -0.0006530900000000 ] - [ -0.0000006000000000, -0.0000003500000000, -0.0006530900000000 ] - [ 0.0000000000000000, 0.0000007000000000, -0.0006530900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006808500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004733800000000 ] - [ 0.0000000000000000, 0.0000001000000000, 0.0004739700000000 ] - [ -0.0000000800000000, -0.0000000500000000, 0.0004739700000000 ] - [ 0.0000000800000000, -0.0000000500000000, 0.0004739700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006697800000000 ] - [ 0.0000000000000000, 0.0000492500000000, 0.0005380700000000 ] - [ -0.0000426500000000, -0.0000246200000000, 0.0005380700000000 ] - [ 0.0000426500000000, -0.0000246200000000, 0.0005380700000000 ] - [ -0.0000001700000000, -0.0000001000000000, -0.0004343300000000 ] - [ 0.0000001700000000, -0.0000001000000000, -0.0004343300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004343900000000 ] - [ 0.0000000000000000, 0.0000002000000000, -0.0004343300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004292700000000 ] - [ 0.0000000000000000, 0.0001882700000000, 0.0002944700000000 ] - [ -0.0001630500000000, -0.0000941400000000, 0.0002944700000000 ] - [ 0.0001630500000000, -0.0000941400000000, 0.0002944700000000 ] - [ 0.0000005800000000, -0.0000003300000000, -0.0006189200000000 ] - [ -0.0000005800000000, -0.0000003300000000, -0.0006189200000000 ] - [ 0.0000000000000000, 0.0000006600000000, -0.0006189200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006206000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0375911600000000 ] - [ 0.0000000000000000, -0.0001820100000000, 0.0021305500000000 ] - [ 0.0001576300000000, 0.0000910100000000, 0.0021305500000000 ] - [ -0.0001576300000000, 0.0000910100000000, 0.0021305500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004162100000000 ] - [ 0.0000000000000000, -0.0000049200000000, 0.0004119100000000 ] - [ 0.0000042600000000, 0.0000024600000000, 0.0004119100000000 ] - [ -0.0000042600000000, 0.0000024600000000, 0.0004119100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004309900000000 ] - [ 0.0000000000000000, -0.0000000100000000, 0.0004320900000000 ] - [ 0.0000000100000000, 0.0000000100000000, 0.0004320900000000 ] - [ -0.0000000100000000, 0.0000000100000000, 0.0004320900000000 ] - [ 0.0000000100000000, 0.0000000100000000, -0.0006659000000000 ] - [ -0.0000000100000000, 0.0000000100000000, -0.0006659000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006650300000000 ] - [ 0.0000000000000000, -0.0000000100000000, -0.0006659000000000 ] - [ -0.0000130000000000, -0.0000075100000000, -0.0001801700000000 ] - [ 0.0000130000000000, -0.0000075100000000, -0.0001801700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002545000000000 ] - [ 0.0000000000000000, 0.0000150100000000, -0.0001801700000000 ]- atom: 69 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000002000000000, -0.0000000200000000, -0.0001851200000000 ] - [ -0.0000002300000000, 0.0000000000000000, -0.0001853900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001852800000000 ] - [ -0.0000002000000000, -0.0000000100000000, -0.0001852600000000 ] - [ 0.0000006700000000, 0.0000002800000000, 0.0004789400000000 ] - [ 0.0000008200000000, -0.0000006100000000, 0.0004769100000000 ] - [ 0.0000015600000000, -0.0000000600000000, 0.0004778700000000 ] - [ -0.0000017200000000, 0.0000000400000000, 0.0004779200000000 ] - [ 0.0000032200000000, -0.0000308200000000, -0.0003951300000000 ] - [ 0.0000048700000000, 0.0000297500000000, -0.0003687100000000 ] - [ -0.0000484200000000, 0.0000000200000000, -0.0003827800000000 ] - [ -0.0001476800000000, 0.0000027800000000, -0.0003819600000000 ] - [ 0.0056107200000000, 0.0030930400000000, 0.0060799200000000 ] - [ 0.0058731700000000, -0.0032914900000000, -0.0060316800000000 ] - [ -0.0009390300000000, -0.0000065400000000, 0.0001666800000000 ] - [ 0.0002138400000000, -0.0000150600000000, 0.0001705300000000 ] - [ 0.0000004100000000, -0.0000002300000000, -0.0003223800000000 ] - [ 0.0000002700000000, 0.0000000600000000, -0.0003215200000000 ] - [ 0.0000001100000000, 0.0000000500000000, -0.0003219400000000 ] - [ -0.0000000700000000, -0.0000000100000000, -0.0003220200000000 ] - [ -0.0000001800000000, 0.0000015500000000, 0.0002338100000000 ] - [ -0.0000001900000000, -0.0000017600000000, 0.0002306700000000 ] - [ 0.0000026700000000, -0.0000000800000000, 0.0002322200000000 ] - [ -0.0000020400000000, -0.0000000600000000, 0.0002322500000000 ] - [ -0.0000115300000000, -0.0000895400000000, 0.0000539800000000 ] - [ -0.0000118200000000, 0.0000894400000000, -0.0001342300000000 ] - [ -0.0001122200000000, 0.0000000900000000, -0.0000402400000000 ] - [ 0.0001433600000000, -0.0000001100000000, -0.0000402800000000 ] - [ 0.0000000700000000, 0.0000001500000000, 0.0001770700000000 ] - [ -0.0000002400000000, 0.0000001600000000, 0.0001772000000000 ] - [ 0.0000002600000000, 0.0000004100000000, 0.0001772000000000 ] - [ 0.0000002400000000, -0.0000001200000000, 0.0001771400000000 ] - [ -0.0000003800000000, -0.0000011100000000, -0.0006427500000000 ] - [ -0.0000003800000000, 0.0000012300000000, -0.0006425900000000 ] - [ -0.0000020200000000, 0.0000000500000000, -0.0006427100000000 ] - [ 0.0000016700000000, 0.0000000600000000, -0.0006426900000000 ] - [ 0.0000063500000000, 0.0000363800000000, -0.0004620900000000 ] - [ 0.0000062700000000, -0.0000363300000000, -0.0004891700000000 ] - [ 0.0000692700000000, -0.0000000200000000, -0.0004757900000000 ] - [ -0.0000887200000000, -0.0000000500000000, -0.0004757800000000 ] - [ 0.0018073700000000, -0.0022097800000000, 0.0028921100000000 ] - [ 0.0018041500000000, 0.0022316000000000, -0.0040591900000000 ] - [ -0.0020405200000000, 0.0000064700000000, -0.0005633400000000 ] - [ -0.0007384700000000, 0.0000045100000000, -0.0005683300000000 ] - [ 0.0000292800000000, 0.0000001300000000, 0.0005650400000000 ] - [ -0.0000049700000000, 0.0000005300000000, 0.0005657900000000 ] - [ -0.0000450200000000, -0.0000240700000000, 0.0005970100000000 ] - [ -0.0000460600000000, 0.0000227900000000, 0.0005336400000000 ] - [ 0.0000005600000000, -0.0000001500000000, 0.0006734400000000 ] - [ 0.0000001300000000, -0.0000001100000000, 0.0006735100000000 ] - [ 0.0000006600000000, 0.0000002000000000, 0.0006736700000000 ] - [ 0.0000007100000000, -0.0000004400000000, 0.0006734500000000 ] - [ 0.0004613800000000, 0.0002743400000000, -0.0008233500000000 ] - [ 0.0004674400000000, -0.0002798600000000, 0.0001426000000000 ] - [ -0.0000217700000000, 0.0000001900000000, -0.0003465900000000 ] - [ -0.0000155000000000, -0.0000034200000000, -0.0003500400000000 ] - [ 0.0000313000000000, 0.0000002000000000, 0.0004314000000000 ] - [ 0.0000261300000000, 0.0000003600000000, 0.0004318100000000 ] - [ -0.0000496000000000, -0.0000433100000000, 0.0005973000000000 ] - [ -0.0000494100000000, 0.0000440000000000, 0.0002656300000000 ] - [ 0.0000001900000000, 0.0000002700000000, -0.0005312500000000 ] - [ 0.0000002500000000, -0.0000004200000000, -0.0005314100000000 ] - [ 0.0000008300000000, -0.0000001300000000, -0.0005313200000000 ] - [ 0.0000003800000000, -0.0000001300000000, -0.0005312300000000 ] - [ 0.0000003800000000, -0.0000001300000000, 0.0004379800000000 ] - [ 0.0000019000000000, -0.0000001100000000, 0.0004379000000000 ] - [ 0.0000002700000000, -0.0000010900000000, 0.0004336000000000 ] - [ 0.0000002700000000, 0.0000007900000000, 0.0004422300000000 ] - [ -0.0269293700000000, 0.0002008300000000, 0.0007691000000000 ] - [ 0.0107532600000000, 0.0000051900000000, 0.0005079900000000 ] - [ 0.0019960900000000, -0.0050643800000000, 0.0006646000000000 ] - [ 0.0019863400000000, 0.0050528000000000, 0.0003426000000000 ] - [ 0.0000003900000000, -0.0000001200000000, 0.0005233200000000 ] - [ 0.0000018400000000, -0.0000001400000000, 0.0005232700000000 ] - [ 0.0000003400000000, -0.0000010000000000, 0.0005234000000000 ] - [ 0.0000003100000000, 0.0000007500000000, 0.0005233900000000 ] - [ 0.0000003500000000, 0.0000012600000000, -0.0005779600000000 ] - [ 0.0000003300000000, -0.0000011000000000, -0.0005757300000000 ] - [ -0.0000031700000000, 0.0000001600000000, -0.0005768300000000 ] - [ -0.0000017100000000, 0.0000001300000000, -0.0005768100000000 ] - [ 0.0000003600000000, 0.0000004500000000, -0.0001114100000000 ] - [ 0.0000003700000000, -0.0000000600000000, -0.0001111900000000 ] - [ -0.0000004800000000, 0.0000002300000000, -0.0001113500000000 ] - [ -0.0000000700000000, 0.0000002500000000, -0.0001113100000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000002100000000, -0.0000001200000000, -0.0003658100000000 ] - [ 0.0000002100000000, -0.0000001200000000, -0.0003658100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003653800000000 ] - [ 0.0000000000000000, 0.0000002400000000, -0.0003658100000000 ] - [ -0.0000105000000000, 0.0000060600000000, 0.0002958200000000 ] - [ 0.0000105000000000, 0.0000060600000000, 0.0002958200000000 ] - [ 0.0000000000000000, -0.0000121200000000, 0.0002958200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003059400000000 ] - [ 0.0000366400000000, -0.0000211500000000, -0.0004146400000000 ] - [ -0.0000366400000000, -0.0000211500000000, -0.0004146400000000 ] - [ 0.0000000000000000, 0.0000423100000000, -0.0004146400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007641600000000 ] - [ 0.0077924900000000, 0.0044990000000000, 0.0090737300000000 ] - [ -0.0077924900000000, 0.0044990000000000, 0.0090737300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030497900000000 ] - [ 0.0000000000000000, -0.0089980000000000, 0.0090737300000000 ] - [ -0.0000003900000000, 0.0000002200000000, -0.0005028400000000 ] - [ 0.0000003900000000, 0.0000002200000000, -0.0005028400000000 ] - [ 0.0000000000000000, -0.0000004400000000, -0.0005028400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005021500000000 ] - [ 0.0000028000000000, -0.0000016200000000, 0.0000524500000000 ] - [ -0.0000028000000000, -0.0000016200000000, 0.0000524500000000 ] - [ 0.0000000000000000, 0.0000032300000000, 0.0000524500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000512300000000 ] - [ 0.0000611000000000, 0.0000352800000000, -0.0002299400000000 ] - [ -0.0000611000000000, 0.0000352800000000, -0.0002299400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002055200000000 ] - [ 0.0000000000000000, -0.0000705500000000, -0.0002299400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002679100000000 ] - [ 0.0000000000000000, 0.0000001100000000, 0.0002675300000000 ] - [ -0.0000001000000000, -0.0000000600000000, 0.0002675300000000 ] - [ 0.0000001000000000, -0.0000000600000000, 0.0002675300000000 ] - [ -0.0000005800000000, -0.0000003400000000, -0.0005523500000000 ] - [ 0.0000005800000000, -0.0000003400000000, -0.0005523500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005505100000000 ] - [ 0.0000000000000000, 0.0000006800000000, -0.0005523500000000 ] - [ 0.0000129700000000, -0.0000074900000000, -0.0004039500000000 ] - [ -0.0000129700000000, -0.0000074900000000, -0.0004039500000000 ] - [ 0.0000000000000000, 0.0000149800000000, -0.0004039500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003301700000000 ] - [ 0.0034770200000000, -0.0020074600000000, 0.0031721400000000 ] - [ -0.0034770200000000, -0.0020074600000000, 0.0031721400000000 ] - [ 0.0000000000000000, 0.0040149200000000, 0.0031721400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015326800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005636400000000 ] - [ 0.0000000000000000, 0.0001932800000000, 0.0007021400000000 ] - [ -0.0001673800000000, -0.0000966400000000, 0.0007021400000000 ] - [ 0.0001673800000000, -0.0000966400000000, 0.0007021400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007644900000000 ] - [ 0.0000000000000000, 0.0000000300000000, 0.0007634000000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0007634000000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0007634000000000 ] - [ -0.0006343300000000, -0.0003662300000000, 0.0003308000000000 ] - [ 0.0006343300000000, -0.0003662300000000, 0.0003308000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004156500000000 ] - [ 0.0000000000000000, 0.0007324600000000, 0.0003308000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004341200000000 ] - [ 0.0000000000000000, 0.0000492400000000, 0.0005655600000000 ] - [ -0.0000426500000000, -0.0000246200000000, 0.0005655600000000 ] - [ 0.0000426500000000, -0.0000246200000000, 0.0005655600000000 ] - [ 0.0000001100000000, -0.0000000700000000, -0.0004408600000000 ] - [ -0.0000001100000000, -0.0000000700000000, -0.0004408600000000 ] - [ 0.0000000000000000, 0.0000001300000000, -0.0004408600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004406600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005256300000000 ] - [ 0.0000000000000000, 0.0000000500000000, 0.0005298300000000 ] - [ -0.0000000400000000, -0.0000000200000000, 0.0005298300000000 ] - [ 0.0000000400000000, -0.0000000200000000, 0.0005298300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0362229500000000 ] - [ 0.0000000000000000, -0.0001897800000000, -0.0011985700000000 ] - [ 0.0001643500000000, 0.0000948900000000, -0.0011985700000000 ] - [ -0.0001643500000000, 0.0000948900000000, -0.0011985700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006106000000000 ] - [ 0.0000000000000000, -0.0000050500000000, 0.0006149300000000 ] - [ 0.0000043700000000, 0.0000025200000000, 0.0006149300000000 ] - [ -0.0000043700000000, 0.0000025200000000, 0.0006149300000000 ] - [ -0.0000006300000000, -0.0000003600000000, -0.0004916500000000 ] - [ 0.0000006300000000, -0.0000003600000000, -0.0004916500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004633800000000 ] - [ 0.0000000000000000, 0.0000007300000000, -0.0004916500000000 ] - [ -0.0000000400000000, -0.0000000200000000, -0.0000205900000000 ] - [ 0.0000000400000000, -0.0000000200000000, -0.0000205900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000215800000000 ] - [ 0.0000000000000000, 0.0000000500000000, -0.0000205900000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000002200000000, 0.0000001300000000, -0.0000057100000000 ] - [ -0.0000002200000000, 0.0000001300000000, -0.0000057100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000061000000000 ] - [ 0.0000000000000000, -0.0000002600000000, -0.0000057100000000 ] - [ 0.0000101700000000, -0.0000058700000000, 0.0006592900000000 ] - [ -0.0000101700000000, -0.0000058700000000, 0.0006592900000000 ] - [ 0.0000000000000000, 0.0000117500000000, 0.0006592900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006494700000000 ] - [ -0.0000350000000000, 0.0000202100000000, -0.0003473900000000 ] - [ 0.0000350000000000, 0.0000202100000000, -0.0003473900000000 ] - [ 0.0000000000000000, -0.0000404200000000, -0.0003473900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000068600000000 ] - [ -0.0080332500000000, -0.0046380000000000, -0.0088441400000000 ] - [ 0.0080332500000000, -0.0046380000000000, -0.0088441400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027345400000000 ] - [ 0.0000000000000000, 0.0092760000000000, -0.0088441400000000 ] - [ 0.0000004500000000, -0.0000002600000000, -0.0001417800000000 ] - [ -0.0000004500000000, -0.0000002600000000, -0.0001417800000000 ] - [ 0.0000000000000000, 0.0000005200000000, -0.0001417800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001425500000000 ] - [ -0.0000027900000000, 0.0000016100000000, 0.0004113900000000 ] - [ 0.0000027900000000, 0.0000016100000000, 0.0004113900000000 ] - [ 0.0000000000000000, -0.0000032200000000, 0.0004113900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004127200000000 ] - [ -0.0000616600000000, -0.0000356000000000, 0.0001485200000000 ] - [ 0.0000616600000000, -0.0000356000000000, 0.0001485200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001241200000000 ] - [ 0.0000000000000000, 0.0000712000000000, 0.0001485200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000854300000000 ] - [ 0.0000000000000000, -0.0000001100000000, 0.0000860400000000 ] - [ 0.0000001000000000, 0.0000000600000000, 0.0000860400000000 ] - [ -0.0000001000000000, 0.0000000600000000, 0.0000860400000000 ] - [ 0.0000005800000000, 0.0000003400000000, -0.0007311100000000 ] - [ -0.0000005800000000, 0.0000003400000000, -0.0007311100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007328200000000 ] - [ 0.0000000000000000, -0.0000006800000000, -0.0007311100000000 ] - [ -0.0000129800000000, 0.0000074900000000, -0.0005443900000000 ] - [ 0.0000129800000000, 0.0000074900000000, -0.0005443900000000 ] - [ 0.0000000000000000, -0.0000149800000000, -0.0005443900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006190800000000 ] - [ -0.0035287600000000, 0.0020373300000000, -0.0043732900000000 ] - [ 0.0035287600000000, 0.0020373300000000, -0.0043732900000000 ] - [ 0.0000000000000000, -0.0040746700000000, -0.0043732900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003952700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005631000000000 ] - [ 0.0000000000000000, -0.0001881700000000, 0.0004287100000000 ] - [ 0.0001629600000000, 0.0000940800000000, 0.0004287100000000 ] - [ -0.0001629600000000, 0.0000940800000000, 0.0004287100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005812900000000 ] - [ 0.0000000000000000, 0.0000000500000000, 0.0005825100000000 ] - [ -0.0000000400000000, -0.0000000200000000, 0.0005825100000000 ] - [ 0.0000000400000000, -0.0000000200000000, 0.0005825100000000 ] - [ 0.0006143100000000, 0.0003546700000000, -0.0009987200000000 ] - [ -0.0006143100000000, 0.0003546700000000, -0.0009987200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002782300000000 ] - [ 0.0000000000000000, -0.0007093400000000, -0.0009987200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004284100000000 ] - [ 0.0000000000000000, -0.0000493500000000, 0.0002962300000000 ] - [ 0.0000427300000000, 0.0000246700000000, 0.0002962300000000 ] - [ -0.0000427300000000, 0.0000246700000000, 0.0002962300000000 ] - [ -0.0000001700000000, 0.0000001000000000, -0.0006192300000000 ] - [ 0.0000001700000000, 0.0000001000000000, -0.0006192300000000 ] - [ 0.0000000000000000, -0.0000001900000000, -0.0006192300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006193600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003496700000000 ] - [ 0.0000000000000000, -0.0000000300000000, 0.0003452100000000 ] - [ 0.0000000300000000, 0.0000000200000000, 0.0003452100000000 ] - [ -0.0000000300000000, 0.0000000200000000, 0.0003452100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0376363200000000 ] - [ 0.0000000000000000, 0.0001820600000000, 0.0021979500000000 ] - [ -0.0001576700000000, -0.0000910300000000, 0.0021979500000000 ] - [ 0.0001576700000000, -0.0000910300000000, 0.0021979500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004351500000000 ] - [ 0.0000000000000000, 0.0000049400000000, 0.0004308200000000 ] - [ -0.0000042700000000, -0.0000024700000000, 0.0004308200000000 ] - [ 0.0000042700000000, -0.0000024700000000, 0.0004308200000000 ] - [ 0.0000006100000000, 0.0000003500000000, -0.0006599700000000 ] - [ -0.0000006100000000, 0.0000003500000000, -0.0006599700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006877200000000 ] - [ 0.0000000000000000, -0.0000007100000000, -0.0006599700000000 ] - [ 0.0000000400000000, 0.0000000200000000, -0.0001993900000000 ] - [ -0.0000000400000000, 0.0000000200000000, -0.0001993900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001983600000000 ] - [ 0.0000000000000000, -0.0000000400000000, -0.0001993900000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000031600000000, 0.0000309700000000, -0.0001982200000000 ] - [ 0.0000047600000000, -0.0000298800000000, -0.0001714200000000 ] - [ -0.0001477600000000, -0.0000028000000000, -0.0001849300000000 ] - [ -0.0000487300000000, -0.0000000800000000, -0.0001856800000000 ] - [ 0.0056092600000000, -0.0030923600000000, 0.0063955500000000 ] - [ 0.0058717300000000, 0.0032902100000000, -0.0057139300000000 ] - [ 0.0002141300000000, 0.0000150400000000, 0.0004871800000000 ] - [ -0.0009387200000000, 0.0000064900000000, 0.0004832700000000 ] - [ -0.0000114800000000, 0.0000896300000000, -0.0002881900000000 ] - [ -0.0000116800000000, -0.0000894100000000, -0.0004765300000000 ] - [ 0.0001434600000000, 0.0000000700000000, -0.0003824900000000 ] - [ -0.0001122100000000, -0.0000000500000000, -0.0003823900000000 ] - [ -0.0000002300000000, -0.0000017000000000, 0.0001628200000000 ] - [ -0.0000002200000000, 0.0000015700000000, 0.0001597600000000 ] - [ -0.0000021000000000, -0.0000000700000000, 0.0001613000000000 ] - [ 0.0000026000000000, -0.0000000400000000, 0.0001612400000000 ] - [ 0.0000007700000000, -0.0000006200000000, -0.0003226000000000 ] - [ 0.0000006900000000, 0.0000004000000000, -0.0003213600000000 ] - [ -0.0000001400000000, 0.0000000600000000, -0.0003220100000000 ] - [ -0.0000006100000000, 0.0000000200000000, -0.0003220400000000 ] - [ -0.0000001400000000, -0.0000000700000000, 0.0002324100000000 ] - [ -0.0000001400000000, -0.0000001400000000, 0.0002320900000000 ] - [ -0.0000001000000000, -0.0000000800000000, 0.0002322400000000 ] - [ -0.0000000500000000, -0.0000000600000000, 0.0002322600000000 ] - [ 0.0000003100000000, 0.0000002400000000, -0.0000406600000000 ] - [ 0.0000002000000000, -0.0000001100000000, -0.0000397300000000 ] - [ -0.0000000900000000, 0.0000000400000000, -0.0000402700000000 ] - [ -0.0000000100000000, -0.0000000300000000, -0.0000402100000000 ] - [ 0.0000285400000000, -0.0000001600000000, 0.0001765800000000 ] - [ -0.0000065100000000, -0.0000005200000000, 0.0001775000000000 ] - [ -0.0000471500000000, -0.0000225200000000, 0.0001458900000000 ] - [ -0.0000461100000000, 0.0000238300000000, 0.0002079400000000 ] - [ -0.0000003700000000, -0.0000002800000000, -0.0006423900000000 ] - [ -0.0000003800000000, 0.0000004000000000, -0.0006424600000000 ] - [ -0.0000002000000000, 0.0000000500000000, -0.0006424900000000 ] - [ 0.0000002300000000, 0.0000000500000000, -0.0006424300000000 ] - [ 0.0000009100000000, -0.0000002600000000, -0.0004756000000000 ] - [ 0.0000008700000000, 0.0000002400000000, -0.0004754700000000 ] - [ 0.0000004500000000, 0.0000000100000000, -0.0004755500000000 ] - [ 0.0000000600000000, 0.0000000100000000, -0.0004756400000000 ] - [ 0.0000001400000000, 0.0000009600000000, -0.0005697000000000 ] - [ 0.0000001300000000, -0.0000013800000000, -0.0005695100000000 ] - [ 0.0000021600000000, -0.0000002300000000, -0.0005695900000000 ] - [ -0.0000014900000000, -0.0000002100000000, -0.0005695900000000 ] - [ 0.0000317300000000, -0.0000002500000000, 0.0005651000000000 ] - [ 0.0000265200000000, -0.0000003900000000, 0.0005654300000000 ] - [ -0.0000489100000000, -0.0000439600000000, 0.0003994800000000 ] - [ -0.0000491500000000, 0.0000433000000000, 0.0007310100000000 ] - [ 0.0000020600000000, -0.0000001400000000, 0.0006732500000000 ] - [ 0.0000000600000000, -0.0000001200000000, 0.0006733300000000 ] - [ 0.0000001700000000, -0.0000000500000000, 0.0006735500000000 ] - [ 0.0000001900000000, -0.0000002000000000, 0.0006731800000000 ] - [ 0.0000057900000000, -0.0000361000000000, -0.0003326200000000 ] - [ 0.0000057900000000, 0.0000365700000000, -0.0003596400000000 ] - [ -0.0000891800000000, 0.0000003600000000, -0.0003461400000000 ] - [ 0.0000687400000000, 0.0000003400000000, -0.0003461600000000 ] - [ 0.0000001000000000, 0.0000001200000000, 0.0004312700000000 ] - [ -0.0000003300000000, 0.0000001100000000, 0.0004313200000000 ] - [ 0.0000002600000000, 0.0000004800000000, 0.0004311600000000 ] - [ 0.0000002200000000, -0.0000002100000000, 0.0004313300000000 ] - [ 0.0004634300000000, -0.0002746000000000, -0.0010075900000000 ] - [ 0.0004695200000000, 0.0002805400000000, -0.0000428300000000 ] - [ -0.0000142500000000, 0.0000036000000000, -0.0005349900000000 ] - [ -0.0000214000000000, -0.0000000300000000, -0.0005313800000000 ] - [ 0.0000004900000000, -0.0000001300000000, 0.0004377000000000 ] - [ 0.0000002100000000, -0.0000001000000000, 0.0004375800000000 ] - [ 0.0000006900000000, 0.0000001300000000, 0.0004375400000000 ] - [ 0.0000007200000000, -0.0000004300000000, 0.0004376900000000 ] - [ -0.0000000300000000, 0.0000001300000000, 0.0005042600000000 ] - [ 0.0000014700000000, 0.0000001300000000, 0.0005042800000000 ] - [ -0.0000002100000000, -0.0000008400000000, 0.0005085200000000 ] - [ -0.0000002000000000, 0.0000010700000000, 0.0005000500000000 ] - [ -0.0269254500000000, -0.0002004300000000, 0.0007891000000000 ] - [ 0.0107529000000000, -0.0000056800000000, 0.0005264700000000 ] - [ 0.0019866200000000, -0.0050522800000000, 0.0003607500000000 ] - [ 0.0019964700000000, 0.0050641400000000, 0.0006835400000000 ] - [ 0.0018061800000000, 0.0022090700000000, 0.0028845500000000 ] - [ 0.0018029900000000, -0.0022311400000000, -0.0040651900000000 ] - [ -0.0007390200000000, -0.0000045800000000, -0.0005751100000000 ] - [ -0.0020406900000000, -0.0000065500000000, -0.0005701600000000 ] - [ 0.0000007400000000, 0.0000012400000000, -0.0001116400000000 ] - [ 0.0000007500000000, -0.0000008400000000, -0.0001105700000000 ] - [ -0.0000028700000000, 0.0000002300000000, -0.0001111700000000 ] - [ -0.0000010500000000, 0.0000002600000000, -0.0001111800000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000365900000000, 0.0000211300000000, -0.0002184300000000 ] - [ -0.0000365900000000, 0.0000211300000000, -0.0002184300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005662500000000 ] - [ 0.0000000000000000, -0.0000422500000000, -0.0002184300000000 ] - [ 0.0077902800000000, -0.0044977200000000, 0.0093912200000000 ] - [ -0.0077902800000000, -0.0044977200000000, 0.0093912200000000 ] - [ 0.0000000000000000, 0.0089954400000000, 0.0093912200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033678200000000 ] - [ 0.0000611400000000, -0.0000353000000000, -0.0005728400000000 ] - [ -0.0000611400000000, -0.0000353000000000, -0.0005728400000000 ] - [ 0.0000000000000000, 0.0000705900000000, -0.0005728400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005484200000000 ] - [ 0.0000028400000000, 0.0000016400000000, -0.0000185500000000 ] - [ -0.0000028400000000, 0.0000016400000000, -0.0000185500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000199200000000 ] - [ 0.0000000000000000, -0.0000032800000000, -0.0000185500000000 ] - [ 0.0000051200000000, -0.0000029600000000, -0.0005023400000000 ] - [ -0.0000051200000000, -0.0000029600000000, -0.0005023400000000 ] - [ 0.0000000000000000, 0.0000059100000000, -0.0005023400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005020400000000 ] - [ 0.0000002000000000, -0.0000001200000000, 0.0000519000000000 ] - [ -0.0000002000000000, -0.0000001200000000, 0.0000519000000000 ] - [ 0.0000000000000000, 0.0000002400000000, 0.0000519000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000517500000000 ] - [ -0.0000004300000000, -0.0000002500000000, -0.0002215700000000 ] - [ 0.0000004300000000, -0.0000002500000000, -0.0002215700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002208200000000 ] - [ 0.0000000000000000, 0.0000004900000000, -0.0002215700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001754300000000 ] - [ 0.0000000000000000, -0.0001967100000000, 0.0003159700000000 ] - [ 0.0001703500000000, 0.0000983500000000, 0.0003159700000000 ] - [ -0.0001703500000000, 0.0000983500000000, 0.0003159700000000 ] - [ 0.0000000800000000, 0.0000000400000000, -0.0005515000000000 ] - [ -0.0000000800000000, 0.0000000400000000, -0.0005515000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005522400000000 ] - [ 0.0000000000000000, -0.0000000900000000, -0.0005515000000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0003845000000000 ] - [ 0.0000000300000000, 0.0000000200000000, -0.0003845000000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0003845000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003855000000000 ] - [ -0.0000005900000000, 0.0000003400000000, -0.0004792400000000 ] - [ 0.0000005900000000, 0.0000003400000000, -0.0004792400000000 ] - [ 0.0000000000000000, -0.0000006800000000, -0.0004792400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004775000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005677100000000 ] - [ 0.0000000000000000, -0.0000492300000000, 0.0006990500000000 ] - [ 0.0000426400000000, 0.0000246200000000, 0.0006990500000000 ] - [ -0.0000426400000000, 0.0000246200000000, 0.0006990500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007677600000000 ] - [ 0.0000000000000000, -0.0000002000000000, 0.0007617400000000 ] - [ 0.0000001700000000, 0.0000001000000000, 0.0007617400000000 ] - [ -0.0000001700000000, 0.0000001000000000, 0.0007617400000000 ] - [ 0.0000129400000000, 0.0000074700000000, -0.0002740400000000 ] - [ -0.0000129400000000, 0.0000074700000000, -0.0002740400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002001600000000 ] - [ 0.0000000000000000, -0.0000149500000000, -0.0002740400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005220500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005209000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005209000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005209000000000 ] - [ -0.0006335000000000, 0.0003657500000000, 0.0001432000000000 ] - [ 0.0006335000000000, 0.0003657500000000, 0.0001432000000000 ] - [ 0.0000000000000000, -0.0007315000000000, 0.0001432000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006010800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005285100000000 ] - [ 0.0000000000000000, 0.0000001500000000, 0.0005279400000000 ] - [ -0.0000001300000000, -0.0000000800000000, 0.0005279400000000 ] - [ 0.0000001300000000, -0.0000000800000000, 0.0005279400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005917200000000 ] - [ 0.0000000000000000, -0.0000000500000000, 0.0005960900000000 ] - [ 0.0000000400000000, 0.0000000200000000, 0.0005960900000000 ] - [ -0.0000000400000000, 0.0000000200000000, 0.0005960900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0361844700000000 ] - [ 0.0000000000000000, 0.0001899700000000, -0.0011803700000000 ] - [ -0.0001645200000000, -0.0000949800000000, -0.0011803700000000 ] - [ 0.0001645200000000, -0.0000949800000000, -0.0011803700000000 ] - [ 0.0034768100000000, 0.0020073400000000, 0.0031647300000000 ] - [ -0.0034768100000000, 0.0020073400000000, 0.0031647300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015397000000000 ] - [ 0.0000000000000000, -0.0040146800000000, 0.0031647300000000 ] - [ 0.0000025000000000, 0.0000014400000000, -0.0000181500000000 ] - [ -0.0000025000000000, 0.0000014400000000, -0.0000181500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000283000000000 ] - [ 0.0000000000000000, -0.0000028900000000, -0.0000181500000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000349200000000, -0.0000201600000000, -0.0001507800000000 ] - [ 0.0000349200000000, -0.0000201600000000, -0.0001507800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001880300000000 ] - [ 0.0000000000000000, 0.0000403300000000, -0.0001507800000000 ] - [ -0.0080310800000000, 0.0046367400000000, -0.0085269300000000 ] - [ 0.0080310800000000, 0.0046367400000000, -0.0085269300000000 ] - [ 0.0000000000000000, -0.0092734900000000, -0.0085269300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024179200000000 ] - [ -0.0000615900000000, 0.0000355600000000, -0.0001935900000000 ] - [ 0.0000615900000000, 0.0000355600000000, -0.0001935900000000 ] - [ 0.0000000000000000, -0.0000711200000000, -0.0001935900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002180400000000 ] - [ -0.0000028500000000, -0.0000016400000000, 0.0003402500000000 ] - [ 0.0000028500000000, -0.0000016400000000, 0.0003402500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003416400000000 ] - [ 0.0000000000000000, 0.0000032900000000, 0.0003402500000000 ] - [ -0.0000049400000000, 0.0000028500000000, -0.0001422200000000 ] - [ 0.0000049400000000, 0.0000028500000000, -0.0001422200000000 ] - [ 0.0000000000000000, -0.0000057100000000, -0.0001422200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001425800000000 ] - [ -0.0000001300000000, 0.0000000800000000, 0.0004117400000000 ] - [ 0.0000001300000000, 0.0000000800000000, 0.0004117400000000 ] - [ 0.0000000000000000, -0.0000001500000000, 0.0004117400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004118700000000 ] - [ 0.0000003700000000, 0.0000002100000000, 0.0001398900000000 ] - [ -0.0000003700000000, 0.0000002100000000, 0.0001398900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001391800000000 ] - [ 0.0000000000000000, -0.0000004200000000, 0.0001398900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001755300000000 ] - [ 0.0000000000000000, 0.0001915100000000, 0.0000389700000000 ] - [ -0.0001658600000000, -0.0000957600000000, 0.0000389700000000 ] - [ 0.0001658600000000, -0.0000957600000000, 0.0000389700000000 ] - [ -0.0000000900000000, -0.0000000500000000, -0.0007318600000000 ] - [ 0.0000000900000000, -0.0000000500000000, -0.0007318600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007310900000000 ] - [ 0.0000000000000000, 0.0000001000000000, -0.0007318600000000 ] - [ 0.0000000700000000, -0.0000000400000000, -0.0005637300000000 ] - [ -0.0000000700000000, -0.0000000400000000, -0.0005637300000000 ] - [ 0.0000000000000000, 0.0000000800000000, -0.0005637300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005629700000000 ] - [ 0.0000005900000000, -0.0000003400000000, -0.0006583300000000 ] - [ -0.0000005900000000, -0.0000003400000000, -0.0006583300000000 ] - [ 0.0000000000000000, 0.0000006800000000, -0.0006583300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006600900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005619000000000 ] - [ 0.0000000000000000, 0.0000492700000000, 0.0004301100000000 ] - [ -0.0000426700000000, -0.0000246400000000, 0.0004301100000000 ] - [ 0.0000426700000000, -0.0000246400000000, 0.0004301100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005775000000000 ] - [ 0.0000000000000000, 0.0000002300000000, 0.0005834200000000 ] - [ -0.0000002000000000, -0.0000001100000000, 0.0005834200000000 ] - [ 0.0000002000000000, -0.0000001100000000, 0.0005834200000000 ] - [ -0.0000130400000000, -0.0000075300000000, -0.0004150000000000 ] - [ 0.0000130400000000, -0.0000075300000000, -0.0004150000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004893200000000 ] - [ 0.0000000000000000, 0.0000150500000000, -0.0004150000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003393400000000 ] - [ 0.0000000000000000, -0.0000000500000000, 0.0003403700000000 ] - [ 0.0000000400000000, 0.0000000300000000, 0.0003403700000000 ] - [ -0.0000000400000000, 0.0000000300000000, 0.0003403700000000 ] - [ 0.0006135500000000, -0.0003542300000000, -0.0011817300000000 ] - [ -0.0006135500000000, -0.0003542300000000, -0.0011817300000000 ] - [ 0.0000000000000000, 0.0007084700000000, -0.0011817300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004634900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003464100000000 ] - [ 0.0000000000000000, -0.0000001500000000, 0.0003468400000000 ] - [ 0.0000001300000000, 0.0000000700000000, 0.0003468400000000 ] - [ -0.0000001300000000, 0.0000000700000000, 0.0003468400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004164200000000 ] - [ 0.0000000000000000, 0.0000000300000000, 0.0004121200000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0004121200000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0004121200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0376479900000000 ] - [ 0.0000000000000000, -0.0001823300000000, 0.0022164900000000 ] - [ 0.0001579000000000, 0.0000911700000000, 0.0022164900000000 ] - [ -0.0001579000000000, 0.0000911700000000, 0.0022164900000000 ] - [ -0.0035285900000000, -0.0020372400000000, -0.0043802300000000 ] - [ 0.0035285900000000, -0.0020372400000000, -0.0043802300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003882900000000 ] - [ 0.0000000000000000, 0.0040744700000000, -0.0043802300000000 ] - [ -0.0000024700000000, -0.0000014300000000, -0.0002014800000000 ] - [ 0.0000024700000000, -0.0000014300000000, -0.0002014800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001915400000000 ] - [ 0.0000000000000000, 0.0000028500000000, -0.0002014800000000 ]- atom: 77 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000054200000000, 0.0000001400000000, -0.0001847200000000 ] - [ 0.0000064800000000, -0.0000000800000000, -0.0001844600000000 ] - [ -0.0000207500000000, -0.0000160100000000, -0.0002339000000000 ] - [ -0.0000211800000000, 0.0000157400000000, -0.0001356100000000 ] - [ 0.0002263800000000, -0.0000133700000000, 0.0004700200000000 ] - [ -0.0009397000000000, -0.0000063300000000, 0.0004732400000000 ] - [ 0.0059728100000000, -0.0033424600000000, 0.0067801600000000 ] - [ 0.0057123800000000, 0.0031437800000000, -0.0055477900000000 ] - [ -0.0000247200000000, -0.0000002600000000, -0.0003828000000000 ] - [ -0.0002381100000000, 0.0000000000000000, -0.0003818900000000 ] - [ -0.0000055500000000, -0.0000113300000000, -0.0003847500000000 ] - [ -0.0000047000000000, 0.0000113200000000, -0.0003802500000000 ] - [ 0.0000015000000000, -0.0000000700000000, 0.0001618700000000 ] - [ -0.0000017700000000, -0.0000001000000000, 0.0001618800000000 ] - [ 0.0000002300000000, 0.0000011300000000, 0.0001615700000000 ] - [ 0.0000002200000000, -0.0000012000000000, 0.0001621800000000 ] - [ 0.0000013700000000, -0.0000000600000000, -0.0003214000000000 ] - [ -0.0000007100000000, -0.0000000800000000, -0.0003214300000000 ] - [ -0.0000002200000000, 0.0000009400000000, -0.0003219100000000 ] - [ -0.0000002900000000, -0.0000009300000000, -0.0003209800000000 ] - [ 0.0000001600000000, -0.0000001400000000, 0.0002328600000000 ] - [ -0.0000002800000000, -0.0000000900000000, 0.0002328800000000 ] - [ 0.0000002500000000, -0.0000001600000000, 0.0002324900000000 ] - [ 0.0000003700000000, 0.0000000400000000, 0.0002332300000000 ] - [ 0.0000005900000000, 0.0000000800000000, -0.0000396400000000 ] - [ 0.0000011000000000, 0.0000000600000000, -0.0000403300000000 ] - [ 0.0000003000000000, -0.0000004500000000, -0.0000401000000000 ] - [ 0.0000003100000000, 0.0000004800000000, -0.0000399500000000 ] - [ 0.0000081500000000, 0.0000303000000000, 0.0001442400000000 ] - [ 0.0000079800000000, -0.0000301500000000, 0.0002081100000000 ] - [ 0.0000279400000000, 0.0000002200000000, 0.0001762100000000 ] - [ -0.0000442800000000, 0.0000001800000000, 0.0001762100000000 ] - [ 0.0000000800000000, 0.0000000700000000, -0.0006423500000000 ] - [ -0.0000003900000000, 0.0000000600000000, -0.0006423700000000 ] - [ 0.0000001900000000, 0.0000003800000000, -0.0006425400000000 ] - [ 0.0000001900000000, -0.0000002900000000, -0.0006422800000000 ] - [ -0.0000002200000000, 0.0000000000000000, -0.0004755400000000 ] - [ 0.0000002800000000, -0.0000000200000000, -0.0004755600000000 ] - [ 0.0000001900000000, -0.0000002200000000, -0.0004759900000000 ] - [ 0.0000001600000000, 0.0000002500000000, -0.0004753000000000 ] - [ 0.0000008000000000, -0.0000002200000000, -0.0005695700000000 ] - [ -0.0000001500000000, -0.0000002100000000, -0.0005695400000000 ] - [ -0.0000002200000000, 0.0000003700000000, -0.0005705800000000 ] - [ -0.0000001900000000, -0.0000007700000000, -0.0005685500000000 ] - [ 0.0006106400000000, 0.0003538100000000, -0.0000421700000000 ] - [ 0.0006046900000000, -0.0003484900000000, 0.0011575300000000 ] - [ -0.0000149600000000, 0.0000000500000000, 0.0005653900000000 ] - [ -0.0000005300000000, 0.0000001700000000, 0.0005651600000000 ] - [ 0.0000000900000000, -0.0000001000000000, 0.0006731900000000 ] - [ 0.0000001400000000, -0.0000001600000000, 0.0006719100000000 ] - [ 0.0000006700000000, -0.0000001400000000, 0.0006726400000000 ] - [ 0.0000000500000000, -0.0000001100000000, 0.0006725900000000 ] - [ 0.0000337700000000, 0.0000001400000000, -0.0003461300000000 ] - [ 0.0000284400000000, -0.0000002300000000, -0.0003461000000000 ] - [ -0.0000474200000000, -0.0000431200000000, -0.0003033300000000 ] - [ -0.0000478500000000, 0.0000447100000000, -0.0003896100000000 ] - [ -0.0000003900000000, -0.0000002200000000, 0.0004305800000000 ] - [ -0.0000003600000000, 0.0000004400000000, 0.0004306300000000 ] - [ -0.0000001500000000, 0.0000001500000000, 0.0004305600000000 ] - [ 0.0000001900000000, 0.0000001300000000, 0.0004305100000000 ] - [ -0.0000066100000000, -0.0000000200000000, -0.0005308900000000 ] - [ 0.0001254500000000, 0.0000001300000000, -0.0005315400000000 ] - [ -0.0000156400000000, 0.0000052100000000, -0.0005440900000000 ] - [ -0.0000156700000000, -0.0000052700000000, -0.0005182300000000 ] - [ 0.0000006900000000, 0.0000000400000000, 0.0004368300000000 ] - [ 0.0000007200000000, -0.0000002500000000, 0.0004368900000000 ] - [ -0.0000001600000000, -0.0000001500000000, 0.0004368200000000 ] - [ 0.0000004700000000, -0.0000001600000000, 0.0004368300000000 ] - [ 0.0000002900000000, 0.0000012400000000, 0.0005028200000000 ] - [ 0.0000003200000000, -0.0000009800000000, 0.0005042600000000 ] - [ -0.0000031200000000, 0.0000001100000000, 0.0005034800000000 ] - [ -0.0000016400000000, 0.0000001300000000, 0.0005035600000000 ] - [ 0.0018025900000000, 0.0022313400000000, 0.0040382200000000 ] - [ 0.0018073500000000, -0.0022089200000000, -0.0029667900000000 ] - [ -0.0007385800000000, 0.0000049100000000, 0.0005208400000000 ] - [ -0.0020403200000000, 0.0000056700000000, 0.0005167300000000 ] - [ -0.0273773100000000, 0.0001853300000000, -0.0008371900000000 ] - [ 0.0106468100000000, 0.0000053500000000, -0.0005801700000000 ] - [ 0.0019917900000000, -0.0050058200000000, -0.0006965800000000 ] - [ 0.0019818000000000, 0.0049936200000000, -0.0004555900000000 ] - [ 0.0000021400000000, 0.0000002000000000, -0.0001111700000000 ] - [ -0.0000003600000000, 0.0000001900000000, -0.0001110900000000 ] - [ -0.0000002100000000, 0.0000003300000000, -0.0001121600000000 ] - [ -0.0000002100000000, 0.0000001400000000, -0.0001101800000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002420000000000 ] - [ 0.0000000000000000, 0.0001841300000000, -0.0004098200000000 ] - [ -0.0001594600000000, -0.0000920600000000, -0.0004098200000000 ] - [ 0.0001594600000000, -0.0000920600000000, -0.0004098200000000 ] - [ 0.0000000000000000, 0.0093111700000000, 0.0095053100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033730700000000 ] - [ 0.0080637100000000, -0.0046555800000000, 0.0095053100000000 ] - [ -0.0080637100000000, -0.0046555800000000, 0.0095053100000000 ] - [ 0.0000000000000000, 0.0000522500000000, -0.0004210000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007537800000000 ] - [ 0.0000452500000000, -0.0000261200000000, -0.0004210000000000 ] - [ -0.0000452500000000, -0.0000261200000000, -0.0004210000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000102800000000 ] - [ 0.0000000000000000, 0.0000125200000000, -0.0000189300000000 ] - [ -0.0000108400000000, -0.0000062600000000, -0.0000189300000000 ] - [ 0.0000108400000000, -0.0000062600000000, -0.0000189300000000 ] - [ 0.0000000000000000, -0.0000043200000000, -0.0005022100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004980500000000 ] - [ -0.0000037400000000, 0.0000021600000000, -0.0005022100000000 ] - [ 0.0000037400000000, 0.0000021600000000, -0.0005022100000000 ] - [ 0.0000000000000000, -0.0000003900000000, 0.0000541200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000549000000000 ] - [ -0.0000003400000000, 0.0000002000000000, 0.0000541200000000 ] - [ 0.0000003400000000, 0.0000002000000000, 0.0000541200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002208000000000 ] - [ 0.0000000000000000, -0.0000001100000000, -0.0002193900000000 ] - [ 0.0000001000000000, 0.0000000600000000, -0.0002193900000000 ] - [ -0.0000001000000000, 0.0000000600000000, -0.0002193900000000 ] - [ -0.0000647300000000, -0.0000373700000000, 0.0002790900000000 ] - [ 0.0000647300000000, -0.0000373700000000, 0.0002790900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002199900000000 ] - [ 0.0000000000000000, 0.0000747400000000, 0.0002790900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005513900000000 ] - [ 0.0000000000000000, -0.0000000500000000, -0.0005523700000000 ] - [ 0.0000000500000000, 0.0000000300000000, -0.0005523700000000 ] - [ -0.0000000500000000, 0.0000000300000000, -0.0005523700000000 ] - [ 0.0000000000000000, -0.0000003900000000, -0.0003867700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003869800000000 ] - [ -0.0000003400000000, 0.0000001900000000, -0.0003867700000000 ] - [ 0.0000003400000000, 0.0000001900000000, -0.0003867700000000 ] - [ 0.0000000000000000, 0.0000042100000000, -0.0004783900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004839600000000 ] - [ 0.0000036500000000, -0.0000021100000000, -0.0004783900000000 ] - [ -0.0000036500000000, -0.0000021100000000, -0.0004783900000000 ] - [ -0.0005905300000000, -0.0003409400000000, 0.0012358200000000 ] - [ 0.0005905300000000, -0.0003409400000000, 0.0012358200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004966300000000 ] - [ 0.0000000000000000, 0.0006818800000000, 0.0012358200000000 ] - [ 0.0000014200000000, 0.0000008200000000, 0.0007628500000000 ] - [ -0.0000014200000000, 0.0000008200000000, 0.0007628500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007605200000000 ] - [ 0.0000000000000000, -0.0000016500000000, 0.0007628500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003441800000000 ] - [ 0.0000000000000000, 0.0001845900000000, -0.0002153800000000 ] - [ -0.0001598600000000, -0.0000922900000000, -0.0002153800000000 ] - [ 0.0001598600000000, -0.0000922900000000, -0.0002153800000000 ] - [ 0.0000000700000000, 0.0000000400000000, 0.0005205300000000 ] - [ -0.0000000700000000, 0.0000000400000000, 0.0005205300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005196900000000 ] - [ 0.0000000000000000, -0.0000000900000000, 0.0005205300000000 ] - [ 0.0000000000000000, -0.0000012000000000, -0.0005290900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001418900000000 ] - [ -0.0000010400000000, 0.0000006000000000, -0.0005290900000000 ] - [ 0.0000010400000000, 0.0000006000000000, -0.0005290900000000 ] - [ 0.0000000100000000, 0.0000000000000000, 0.0005262700000000 ] - [ -0.0000000100000000, 0.0000000000000000, 0.0005262700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005252900000000 ] - [ 0.0000000000000000, -0.0000000100000000, 0.0005262700000000 ] - [ -0.0000010700000000, -0.0000006200000000, 0.0005872600000000 ] - [ 0.0000010700000000, -0.0000006200000000, 0.0005872600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006149500000000 ] - [ 0.0000000000000000, 0.0000012300000000, 0.0005872600000000 ] - [ 0.0035006800000000, 0.0020211200000000, 0.0043262800000000 ] - [ -0.0035006800000000, 0.0020211200000000, 0.0043262800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004427400000000 ] - [ 0.0000000000000000, -0.0040422300000000, 0.0043262800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0376479000000000 ] - [ 0.0000000000000000, 0.0001356700000000, -0.0023158700000000 ] - [ -0.0001174900000000, -0.0000678300000000, -0.0023158700000000 ] - [ 0.0001174900000000, -0.0000678300000000, -0.0023158700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000152000000000 ] - [ 0.0000000000000000, 0.0000002300000000, -0.0000236100000000 ] - [ -0.0000002000000000, -0.0000001100000000, -0.0000236100000000 ] - [ 0.0000002000000000, -0.0000001100000000, -0.0000236100000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001257100000000 ] - [ 0.0000000000000000, -0.0001828500000000, 0.0000405900000000 ] - [ 0.0001583500000000, 0.0000914200000000, 0.0000405900000000 ] - [ -0.0001583500000000, 0.0000914200000000, 0.0000405900000000 ] - [ 0.0000000000000000, -0.0090329600000000, -0.0084557700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024090700000000 ] - [ -0.0078227700000000, 0.0045164800000000, -0.0084557700000000 ] - [ 0.0078227700000000, 0.0045164800000000, -0.0084557700000000 ] - [ 0.0000000000000000, -0.0000537200000000, -0.0003456700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000043300000000 ] - [ -0.0000465200000000, 0.0000268600000000, -0.0003456700000000 ] - [ 0.0000465200000000, 0.0000268600000000, -0.0003456700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003351000000000 ] - [ 0.0000000000000000, -0.0000128200000000, 0.0003435900000000 ] - [ 0.0000111000000000, 0.0000064100000000, 0.0003435900000000 ] - [ -0.0000111000000000, 0.0000064100000000, 0.0003435900000000 ] - [ 0.0000000000000000, 0.0000042800000000, -0.0001396800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001438000000000 ] - [ 0.0000037000000000, -0.0000021400000000, -0.0001396800000000 ] - [ -0.0000037000000000, -0.0000021400000000, -0.0001396800000000 ] - [ 0.0000000000000000, 0.0000003600000000, 0.0004125200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004116700000000 ] - [ 0.0000003200000000, -0.0000001800000000, 0.0004125200000000 ] - [ -0.0000003200000000, -0.0000001800000000, 0.0004125200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001421500000000 ] - [ 0.0000000000000000, 0.0000001200000000, 0.0001393000000000 ] - [ -0.0000001000000000, -0.0000000600000000, 0.0001393000000000 ] - [ 0.0000001000000000, -0.0000000600000000, 0.0001393000000000 ] - [ 0.0000642900000000, 0.0000371200000000, 0.0000722700000000 ] - [ -0.0000642900000000, 0.0000371200000000, 0.0000722700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001307000000000 ] - [ 0.0000000000000000, -0.0000742300000000, 0.0000722700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007346800000000 ] - [ 0.0000000000000000, 0.0000000400000000, -0.0007335900000000 ] - [ -0.0000000400000000, -0.0000000200000000, -0.0007335900000000 ] - [ 0.0000000400000000, -0.0000000200000000, -0.0007335900000000 ] - [ 0.0000000000000000, 0.0000004100000000, -0.0005639300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005635600000000 ] - [ 0.0000003600000000, -0.0000002100000000, -0.0005639300000000 ] - [ -0.0000003600000000, -0.0000002100000000, -0.0005639300000000 ] - [ 0.0000000000000000, -0.0000042800000000, -0.0006618400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006561000000000 ] - [ -0.0000037000000000, 0.0000021400000000, -0.0006618400000000 ] - [ 0.0000037000000000, 0.0000021400000000, -0.0006618400000000 ] - [ 0.0006101000000000, 0.0003522400000000, -0.0001301700000000 ] - [ -0.0006101000000000, 0.0003522400000000, -0.0001301700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006340200000000 ] - [ 0.0000000000000000, -0.0007044800000000, -0.0001301700000000 ] - [ -0.0000013800000000, -0.0000008000000000, 0.0005804500000000 ] - [ 0.0000013800000000, -0.0000008000000000, 0.0005804500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005829300000000 ] - [ 0.0000000000000000, 0.0000016000000000, 0.0005804500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003449100000000 ] - [ 0.0000000000000000, -0.0001895800000000, -0.0004775800000000 ] - [ 0.0001641800000000, 0.0000947900000000, -0.0004775800000000 ] - [ -0.0001641800000000, 0.0000947900000000, -0.0004775800000000 ] - [ -0.0000000900000000, -0.0000000500000000, 0.0003387300000000 ] - [ 0.0000000900000000, -0.0000000500000000, 0.0003387300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003395000000000 ] - [ 0.0000000000000000, 0.0000001100000000, 0.0003387300000000 ] - [ 0.0000000000000000, 0.0000009800000000, -0.0005339600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009196000000000 ] - [ 0.0000008400000000, -0.0000004900000000, -0.0005339600000000 ] - [ -0.0000008400000000, -0.0000004900000000, -0.0005339600000000 ] - [ -0.0000000100000000, 0.0000000000000000, 0.0003467100000000 ] - [ 0.0000000100000000, 0.0000000000000000, 0.0003467100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003476000000000 ] - [ 0.0000000000000000, 0.0000000100000000, 0.0003467100000000 ] - [ 0.0000011100000000, 0.0000006400000000, 0.0004192900000000 ] - [ -0.0000011100000000, 0.0000006400000000, 0.0004192900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003909100000000 ] - [ 0.0000000000000000, -0.0000012800000000, 0.0004192900000000 ] - [ -0.0034493000000000, -0.0019914600000000, -0.0032185500000000 ] - [ 0.0034493000000000, -0.0019914600000000, -0.0032185500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014854100000000 ] - [ 0.0000000000000000, 0.0039829100000000, -0.0032185500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0360908600000000 ] - [ 0.0000000000000000, -0.0001424300000000, 0.0011718300000000 ] - [ 0.0001233500000000, 0.0000712200000000, 0.0011718300000000 ] - [ -0.0001233500000000, 0.0000712200000000, 0.0011718300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002070500000000 ] - [ 0.0000000000000000, -0.0000002400000000, -0.0001985500000000 ] - [ 0.0000002100000000, 0.0000001200000000, -0.0001985500000000 ] - [ -0.0000002100000000, 0.0000001200000000, -0.0001985500000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000278700000000, -0.0000000600000000, -0.0001854800000000 ] - [ -0.0000821900000000, 0.0000007000000000, -0.0001856600000000 ] - [ 0.0000183300000000, 0.0000574800000000, -0.0001958900000000 ] - [ 0.0000197400000000, -0.0000593500000000, -0.0001740600000000 ] - [ -0.0000014700000000, -0.0000002100000000, 0.0004785100000000 ] - [ 0.0000009300000000, -0.0000001800000000, 0.0004785100000000 ] - [ 0.0000006600000000, -0.0000012000000000, 0.0004775900000000 ] - [ 0.0000006800000000, 0.0000012500000000, 0.0004793400000000 ] - [ -0.0000000800000000, 0.0000000400000000, -0.0003817900000000 ] - [ -0.0000000900000000, -0.0000000300000000, -0.0003818300000000 ] - [ -0.0000001100000000, 0.0000000100000000, -0.0003816400000000 ] - [ -0.0000002000000000, -0.0000000400000000, -0.0003819700000000 ] - [ -0.0000000100000000, -0.0000000500000000, 0.0001618500000000 ] - [ -0.0000005700000000, -0.0000000600000000, 0.0001618400000000 ] - [ -0.0000005300000000, -0.0000000200000000, 0.0001618300000000 ] - [ -0.0000005200000000, -0.0000001000000000, 0.0001618300000000 ] - [ 0.0002311700000000, -0.0000132000000000, -0.0003298500000000 ] - [ -0.0009383900000000, -0.0000062200000000, -0.0003267500000000 ] - [ 0.0059731300000000, -0.0033398300000000, 0.0059673600000000 ] - [ 0.0057129400000000, 0.0031414400000000, -0.0063351700000000 ] - [ 0.0001408600000000, -0.0000002100000000, 0.0002328600000000 ] - [ -0.0001109300000000, -0.0000000200000000, 0.0002328400000000 ] - [ -0.0000123300000000, 0.0000881400000000, 0.0003262400000000 ] - [ -0.0000119700000000, -0.0000885200000000, 0.0001393200000000 ] - [ 0.0000045100000000, 0.0000000600000000, -0.0000396200000000 ] - [ -0.0000040500000000, 0.0000000500000000, -0.0000396100000000 ] - [ -0.0000005500000000, 0.0000020300000000, -0.0000411800000000 ] - [ -0.0000005500000000, -0.0000019900000000, -0.0000381200000000 ] - [ 0.0004662800000000, 0.0002806600000000, -0.0004555100000000 ] - [ 0.0004612300000000, -0.0002736900000000, 0.0007953500000000 ] - [ -0.0000218300000000, 0.0000006500000000, 0.0001774200000000 ] - [ -0.0000163000000000, 0.0000004600000000, 0.0001772500000000 ] - [ 0.0000336100000000, 0.0000001500000000, -0.0006428000000000 ] - [ 0.0000283500000000, 0.0000003300000000, -0.0006432700000000 ] - [ -0.0000477900000000, -0.0000436300000000, -0.0008047600000000 ] - [ -0.0000475800000000, 0.0000441800000000, -0.0004811100000000 ] - [ 0.0000010500000000, 0.0000000000000000, -0.0004759000000000 ] - [ -0.0000002700000000, -0.0000000300000000, -0.0004759200000000 ] - [ -0.0000004000000000, 0.0000008600000000, -0.0004715000000000 ] - [ -0.0000004300000000, -0.0000008200000000, -0.0004804800000000 ] - [ -0.0000003500000000, -0.0000002000000000, -0.0005700000000000 ] - [ -0.0000000200000000, -0.0000002100000000, -0.0005700000000000 ] - [ 0.0000001500000000, -0.0000005000000000, -0.0005698200000000 ] - [ 0.0000001500000000, 0.0000000900000000, -0.0005702000000000 ] - [ 0.0000000900000000, -0.0000004600000000, 0.0005648000000000 ] - [ 0.0000000900000000, 0.0000002000000000, 0.0005648200000000 ] - [ 0.0000002900000000, -0.0000001300000000, 0.0005648600000000 ] - [ 0.0000006400000000, -0.0000001100000000, 0.0005648900000000 ] - [ 0.0018221900000000, 0.0022169500000000, 0.0041965800000000 ] - [ 0.0018269800000000, -0.0021947300000000, -0.0028237100000000 ] - [ -0.0007216400000000, 0.0000047800000000, 0.0006716300000000 ] - [ -0.0019959800000000, 0.0000057100000000, 0.0006673100000000 ] - [ 0.0000001200000000, 0.0000002900000000, -0.0003465700000000 ] - [ -0.0000001100000000, 0.0000002900000000, -0.0003465300000000 ] - [ 0.0000003000000000, 0.0000005500000000, -0.0003464300000000 ] - [ 0.0000003400000000, 0.0000000500000000, -0.0003465500000000 ] - [ -0.0000003800000000, 0.0000005700000000, 0.0004319900000000 ] - [ -0.0000003400000000, -0.0000003400000000, 0.0004300000000000 ] - [ 0.0000009800000000, 0.0000001500000000, 0.0004309500000000 ] - [ -0.0000011600000000, 0.0000001300000000, 0.0004309000000000 ] - [ -0.0000060900000000, -0.0000000600000000, -0.0005318200000000 ] - [ 0.0001261900000000, -0.0000001200000000, -0.0005322800000000 ] - [ -0.0000148900000000, 0.0000050200000000, -0.0005305300000000 ] - [ -0.0000152100000000, -0.0000053400000000, -0.0005320600000000 ] - [ 0.0000061100000000, -0.0000363800000000, 0.0004502600000000 ] - [ 0.0000061300000000, 0.0000362100000000, 0.0004244400000000 ] - [ -0.0000888400000000, -0.0000001800000000, 0.0004373600000000 ] - [ 0.0000690000000000, -0.0000001900000000, 0.0004374900000000 ] - [ 0.0000002700000000, 0.0000003200000000, 0.0005039000000000 ] - [ 0.0000002900000000, -0.0000000600000000, 0.0005041400000000 ] - [ -0.0000005700000000, 0.0000001200000000, 0.0005040000000000 ] - [ -0.0000000800000000, 0.0000001400000000, 0.0005040600000000 ] - [ 0.0000011000000000, 0.0000009500000000, 0.0005251200000000 ] - [ 0.0000010800000000, -0.0000012000000000, 0.0005204300000000 ] - [ -0.0000025200000000, -0.0000001300000000, 0.0005228400000000 ] - [ -0.0000007500000000, -0.0000001300000000, 0.0005229200000000 ] - [ 0.0000020200000000, 0.0000000600000000, -0.0005770100000000 ] - [ -0.0000005100000000, 0.0000001100000000, -0.0005770400000000 ] - [ -0.0000002300000000, 0.0000002900000000, -0.0005772700000000 ] - [ -0.0000002100000000, -0.0000000100000000, -0.0005767700000000 ] - [ -0.0273586900000000, 0.0001852400000000, -0.0003746200000000 ] - [ 0.0106327200000000, 0.0000053800000000, -0.0001146700000000 ] - [ 0.0019773400000000, -0.0050059200000000, -0.0002257600000000 ] - [ 0.0019675500000000, 0.0049937900000000, 0.0000038400000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003663700000000 ] - [ 0.0000000000000000, -0.0002881900000000, -0.0002526300000000 ] - [ 0.0002495800000000, 0.0001441000000000, -0.0002526300000000 ] - [ -0.0002495800000000, 0.0001441000000000, -0.0002526300000000 ] - [ 0.0000000000000000, 0.0000100800000000, 0.0003034600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002980900000000 ] - [ 0.0000087300000000, -0.0000050400000000, 0.0003034600000000 ] - [ -0.0000087300000000, -0.0000050400000000, 0.0003034600000000 ] - [ 0.0000000000000000, 0.0000002100000000, -0.0005595600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005595300000000 ] - [ 0.0000001800000000, -0.0000001100000000, -0.0005595600000000 ] - [ -0.0000001800000000, -0.0000001100000000, -0.0005595600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000154400000000 ] - [ 0.0000000000000000, 0.0000001800000000, -0.0000150500000000 ] - [ -0.0000001500000000, -0.0000000900000000, -0.0000150500000000 ] - [ 0.0000001500000000, -0.0000000900000000, -0.0000150500000000 ] - [ 0.0000000000000000, 0.0092824100000000, 0.0086989200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026022600000000 ] - [ 0.0080388000000000, -0.0046412000000000, 0.0086989200000000 ] - [ -0.0080388000000000, -0.0046412000000000, 0.0086989200000000 ] - [ 0.0000000000000000, 0.0000713400000000, 0.0000476000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000712500000000 ] - [ 0.0000617800000000, -0.0000356700000000, 0.0000476000000000 ] - [ -0.0000617800000000, -0.0000356700000000, 0.0000476000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002187000000000 ] - [ 0.0000000000000000, -0.0000003900000000, -0.0002170700000000 ] - [ 0.0000003300000000, 0.0000001900000000, -0.0002170700000000 ] - [ -0.0000003300000000, 0.0000001900000000, -0.0002170700000000 ] - [ -0.0004754500000000, -0.0002745000000000, 0.0008318700000000 ] - [ 0.0004754500000000, -0.0002745000000000, 0.0008318700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001091800000000 ] - [ 0.0000000000000000, 0.0005490000000000, 0.0008318700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006420000000000 ] - [ 0.0000000000000000, -0.0000497500000000, -0.0005112900000000 ] - [ 0.0000430800000000, 0.0000248700000000, -0.0005112900000000 ] - [ -0.0000430800000000, 0.0000248700000000, -0.0005112900000000 ] - [ 0.0000000000000000, -0.0000005500000000, -0.0003874600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003879400000000 ] - [ -0.0000004700000000, 0.0000002700000000, -0.0003874600000000 ] - [ 0.0000004700000000, 0.0000002700000000, -0.0003874600000000 ] - [ 0.0000000000000000, 0.0000003700000000, -0.0004806900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004813900000000 ] - [ 0.0000003200000000, -0.0000001800000000, -0.0004806900000000 ] - [ -0.0000003200000000, -0.0000001800000000, -0.0004806900000000 ] - [ 0.0000001300000000, 0.0000000800000000, 0.0006535900000000 ] - [ -0.0000001300000000, 0.0000000800000000, 0.0006535900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006530400000000 ] - [ 0.0000000000000000, -0.0000001500000000, 0.0006535900000000 ] - [ 0.0035386600000000, 0.0020430500000000, 0.0044731900000000 ] - [ -0.0035386600000000, 0.0020430500000000, 0.0044731900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002766800000000 ] - [ 0.0000000000000000, -0.0040860900000000, 0.0044731900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002572600000000 ] - [ 0.0000000000000000, 0.0000000900000000, -0.0002578300000000 ] - [ -0.0000000800000000, -0.0000000500000000, -0.0002578300000000 ] - [ 0.0000000800000000, -0.0000000500000000, -0.0002578300000000 ] - [ 0.0000007400000000, 0.0000004300000000, 0.0005200200000000 ] - [ -0.0000007400000000, 0.0000004300000000, 0.0005200200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005184800000000 ] - [ 0.0000000000000000, -0.0000008600000000, 0.0005200200000000 ] - [ 0.0000000000000000, 0.0000140200000000, -0.0005287300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001482400000000 ] - [ 0.0000121400000000, -0.0000070100000000, -0.0005287300000000 ] - [ -0.0000121400000000, -0.0000070100000000, -0.0005287300000000 ] - [ 0.0000136800000000, 0.0000079000000000, 0.0005067400000000 ] - [ -0.0000136800000000, 0.0000079000000000, 0.0005067400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005809500000000 ] - [ 0.0000000000000000, -0.0000158000000000, 0.0005067400000000 ] - [ -0.0000000600000000, -0.0000000300000000, 0.0005928100000000 ] - [ 0.0000000600000000, -0.0000000300000000, 0.0005928100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005917400000000 ] - [ 0.0000000000000000, 0.0000000700000000, 0.0005928100000000 ] - [ -0.0000003400000000, -0.0000002000000000, 0.0006136400000000 ] - [ 0.0000003400000000, -0.0000002000000000, 0.0006136400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006036800000000 ] - [ 0.0000000000000000, 0.0000003900000000, 0.0006136400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004809100000000 ] - [ 0.0000000000000000, 0.0000011300000000, -0.0004892600000000 ] - [ -0.0000009800000000, -0.0000005700000000, -0.0004892600000000 ] - [ 0.0000009800000000, -0.0000005700000000, -0.0004892600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0372571100000000 ] - [ 0.0000000000000000, 0.0001289600000000, -0.0018546400000000 ] - [ -0.0001116800000000, -0.0000644800000000, -0.0018546400000000 ] - [ 0.0001116800000000, -0.0000644800000000, -0.0018546400000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0000036100000000 ] - [ 0.0000000000000000, 0.0002957900000000, -0.0001188700000000 ] - [ -0.0002561600000000, -0.0001478900000000, -0.0001188700000000 ] - [ 0.0002561600000000, -0.0001478900000000, -0.0001188700000000 ] - [ 0.0000000000000000, -0.0000102900000000, 0.0006544900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006598900000000 ] - [ -0.0000089100000000, 0.0000051400000000, 0.0006544900000000 ] - [ 0.0000089100000000, 0.0000051400000000, 0.0006544900000000 ] - [ 0.0000000000000000, -0.0000001800000000, -0.0002031200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002031500000000 ] - [ -0.0000001500000000, 0.0000000900000000, -0.0002031200000000 ] - [ 0.0000001500000000, 0.0000000900000000, -0.0002031200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003399500000000 ] - [ 0.0000000000000000, -0.0000001300000000, 0.0003397100000000 ] - [ 0.0000001100000000, 0.0000000600000000, 0.0003397100000000 ] - [ -0.0000001100000000, 0.0000000600000000, 0.0003397100000000 ] - [ 0.0000000000000000, -0.0090041300000000, -0.0092488200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032378000000000 ] - [ -0.0077978100000000, 0.0045020700000000, -0.0092488200000000 ] - [ 0.0077978100000000, 0.0045020700000000, -0.0092488200000000 ] - [ 0.0000000000000000, -0.0000708300000000, 0.0004192200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003955300000000 ] - [ -0.0000613400000000, 0.0000354100000000, 0.0004192200000000 ] - [ 0.0000613400000000, 0.0000354100000000, 0.0004192200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001402500000000 ] - [ 0.0000000000000000, 0.0000004100000000, 0.0001386900000000 ] - [ -0.0000003500000000, -0.0000002000000000, 0.0001386900000000 ] - [ 0.0000003500000000, -0.0000002000000000, 0.0001386900000000 ] - [ 0.0004907300000000, 0.0002833200000000, -0.0005000200000000 ] - [ -0.0004907300000000, 0.0002833200000000, -0.0005000200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002465300000000 ] - [ 0.0000000000000000, -0.0005666400000000, -0.0005000200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006445100000000 ] - [ 0.0000000000000000, 0.0000497300000000, -0.0007744900000000 ] - [ -0.0000430600000000, -0.0000248600000000, -0.0007744900000000 ] - [ 0.0000430600000000, -0.0000248600000000, -0.0007744900000000 ] - [ 0.0000000000000000, 0.0000005600000000, -0.0005637600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005630600000000 ] - [ 0.0000004800000000, -0.0000002800000000, -0.0005637600000000 ] - [ -0.0000004800000000, -0.0000002800000000, -0.0005637600000000 ] - [ 0.0000000000000000, -0.0000003200000000, -0.0006591900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006585000000000 ] - [ -0.0000002700000000, 0.0000001600000000, -0.0006591900000000 ] - [ 0.0000002700000000, 0.0000001600000000, -0.0006591900000000 ] - [ -0.0000001300000000, -0.0000000700000000, 0.0004743500000000 ] - [ 0.0000001300000000, -0.0000000700000000, 0.0004743500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004750300000000 ] - [ 0.0000000000000000, 0.0000001500000000, 0.0004743500000000 ] - [ -0.0034870100000000, -0.0020132300000000, -0.0030649600000000 ] - [ 0.0034870100000000, -0.0020132300000000, -0.0030649600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016209000000000 ] - [ 0.0000000000000000, 0.0040264600000000, -0.0030649600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004349400000000 ] - [ 0.0000000000000000, -0.0000000800000000, -0.0004343100000000 ] - [ 0.0000000700000000, 0.0000000400000000, -0.0004343100000000 ] - [ -0.0000000700000000, 0.0000000400000000, -0.0004343100000000 ] - [ -0.0000007500000000, -0.0000004300000000, 0.0003402700000000 ] - [ 0.0000007500000000, -0.0000004300000000, 0.0003402700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003416700000000 ] - [ 0.0000000000000000, 0.0000008600000000, 0.0003402700000000 ] - [ 0.0000000000000000, -0.0000145600000000, -0.0005320600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009222600000000 ] - [ -0.0000126100000000, 0.0000072800000000, -0.0005320600000000 ] - [ 0.0000126100000000, 0.0000072800000000, -0.0005320600000000 ] - [ -0.0000136000000000, -0.0000078500000000, 0.0003666300000000 ] - [ 0.0000136000000000, -0.0000078500000000, 0.0003666300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002928000000000 ] - [ 0.0000000000000000, 0.0000157100000000, 0.0003666300000000 ] - [ 0.0000000600000000, 0.0000000300000000, 0.0004141400000000 ] - [ -0.0000000600000000, 0.0000000300000000, 0.0004141400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004151400000000 ] - [ 0.0000000000000000, -0.0000000700000000, 0.0004141400000000 ] - [ 0.0000003900000000, 0.0000002300000000, 0.0004306000000000 ] - [ -0.0000003900000000, 0.0000002300000000, 0.0004306000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004407200000000 ] - [ 0.0000000000000000, -0.0000004500000000, 0.0004306000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006731000000000 ] - [ 0.0000000000000000, -0.0000011300000000, -0.0006645000000000 ] - [ 0.0000009800000000, 0.0000005700000000, -0.0006645000000000 ] - [ -0.0000009800000000, 0.0000005700000000, -0.0006645000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0366022200000000 ] - [ 0.0000000000000000, -0.0001360000000000, 0.0016427800000000 ] - [ 0.0001177800000000, 0.0000680000000000, 0.0016427800000000 ] - [ -0.0001177800000000, 0.0000680000000000, 0.0016427800000000 ]