# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/161ab748-dd21-4fb4-a916-e0a3e4fece97/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 571535](https://mdr.nims.go.jp/datasets/4e9fa9e9-e275-42ae-a597-4883e359b365) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P3m1" number: 156 Hall_symbol: "P 3 -2\""supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 4.222003190000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.111001600000000, 3.656362020000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 54.794638169999999 ] # c points: - symbol: Cd # 1 coordinates: [ 0.333333330000000, 0.666666670000000, 0.656322330000000 ] mass: 112.411000 - symbol: Cd # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.781250780000000 ] mass: 112.411000 - symbol: Cd # 3 coordinates: [ 0.333333330000000, 0.666666670000000, 0.906254310000000 ] mass: 112.411000 - symbol: Cd # 4 coordinates: [ 0.666666670000000, 0.333333330000000, 0.031301220000000 ] mass: 112.411000 - symbol: Cd # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.406157860000000 ] mass: 112.411000 - symbol: Cd # 6 coordinates: [ 0.333333330000000, 0.666666670000000, 0.531249650000000 ] mass: 112.411000 - symbol: Cd # 7 coordinates: [ 0.666666670000000, 0.333333330000000, 0.281208510000000 ] mass: 112.411000 - symbol: Cd # 8 coordinates: [ 0.333333330000000, 0.666666670000000, 0.156269730000000 ] mass: 112.411000 - symbol: I # 9 coordinates: [ 0.333333330000000, 0.666666670000000, 0.750140170000000 ] mass: 126.904470 - symbol: I # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.625211440000000 ] mass: 126.904470 - symbol: I # 11 coordinates: [ 0.666666670000000, 0.333333330000000, 0.187380210000000 ] mass: 126.904470 - symbol: I # 12 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250091100000000 ] mass: 126.904470 - symbol: I # 13 coordinates: [ 0.666666670000000, 0.333333330000000, 0.437265740000000 ] mass: 126.904470 - symbol: I # 14 coordinates: [ 0.333333330000000, 0.666666670000000, 0.312315520000000 ] mass: 126.904470 - symbol: I # 15 coordinates: [ 0.333333330000000, 0.666666670000000, 0.062410090000000 ] mass: 126.904470 - symbol: I # 16 coordinates: [ 0.000000000000000, 0.000000000000000, 0.125152020000000 ] mass: 126.904470 - symbol: I # 17 coordinates: [ 0.666666670000000, 0.333333330000000, 0.687433050000000 ] mass: 126.904470 - symbol: I # 18 coordinates: [ 0.666666670000000, 0.333333330000000, 0.812365280000000 ] mass: 126.904470 - symbol: I # 19 coordinates: [ 0.000000000000000, 0.000000000000000, 0.875131810000000 ] mass: 126.904470 - symbol: I # 20 coordinates: [ 0.666666670000000, 0.333333330000000, 0.562363150000000 ] mass: 126.904470 - symbol: I # 21 coordinates: [ 0.000000000000000, 0.000000000000000, 0.375041390000000 ] mass: 126.904470 - symbol: I # 22 coordinates: [ 0.666666670000000, 0.333333330000000, 0.937373180000000 ] mass: 126.904470 - symbol: I # 23 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000180960000000 ] mass: 126.904470 - symbol: I # 24 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500130440000000 ] mass: 126.904470 reciprocal_lattice: # without 2pi - [ 0.236854392334081, 0.136747947399440, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.273495894151094, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.018249960824588 ] # c*unit_cell: lattice: - [ 4.222003190000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.111001600000000, 3.656362020000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 54.794638169999999 ] # c points: - symbol: Cd # 1 coordinates: [ 0.333333330000000, 0.666666670000000, 0.656322330000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.781250780000000 ] mass: 112.411000 reduced_to: 2 - symbol: Cd # 3 coordinates: [ 0.333333330000000, 0.666666670000000, 0.906254310000000 ] mass: 112.411000 reduced_to: 3 - symbol: Cd # 4 coordinates: [ 0.666666670000000, 0.333333330000000, 0.031301220000000 ] mass: 112.411000 reduced_to: 4 - symbol: Cd # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.406157860000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 6 coordinates: [ 0.333333330000000, 0.666666670000000, 0.531249650000000 ] mass: 112.411000 reduced_to: 6 - symbol: Cd # 7 coordinates: [ 0.666666670000000, 0.333333330000000, 0.281208510000000 ] mass: 112.411000 reduced_to: 7 - symbol: Cd # 8 coordinates: [ 0.333333330000000, 0.666666670000000, 0.156269730000000 ] mass: 112.411000 reduced_to: 8 - symbol: I # 9 coordinates: [ 0.333333330000000, 0.666666670000000, 0.750140170000000 ] mass: 126.904470 reduced_to: 9 - symbol: I # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.625211440000000 ] mass: 126.904470 reduced_to: 10 - symbol: I # 11 coordinates: [ 0.666666670000000, 0.333333330000000, 0.187380210000000 ] mass: 126.904470 reduced_to: 11 - symbol: I # 12 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250091100000000 ] mass: 126.904470 reduced_to: 12 - symbol: I # 13 coordinates: [ 0.666666670000000, 0.333333330000000, 0.437265740000000 ] mass: 126.904470 reduced_to: 13 - symbol: I # 14 coordinates: [ 0.333333330000000, 0.666666670000000, 0.312315520000000 ] mass: 126.904470 reduced_to: 14 - symbol: I # 15 coordinates: [ 0.333333330000000, 0.666666670000000, 0.062410090000000 ] mass: 126.904470 reduced_to: 15 - symbol: I # 16 coordinates: [ 0.000000000000000, 0.000000000000000, 0.125152020000000 ] mass: 126.904470 reduced_to: 16 - symbol: I # 17 coordinates: [ 0.666666670000000, 0.333333330000000, 0.687433050000000 ] mass: 126.904470 reduced_to: 17 - symbol: I # 18 coordinates: [ 0.666666670000000, 0.333333330000000, 0.812365280000000 ] mass: 126.904470 reduced_to: 18 - symbol: I # 19 coordinates: [ 0.000000000000000, 0.000000000000000, 0.875131810000000 ] mass: 126.904470 reduced_to: 19 - symbol: I # 20 coordinates: [ 0.666666670000000, 0.333333330000000, 0.562363150000000 ] mass: 126.904470 reduced_to: 20 - symbol: I # 21 coordinates: [ 0.000000000000000, 0.000000000000000, 0.375041390000000 ] mass: 126.904470 reduced_to: 21 - symbol: I # 22 coordinates: [ 0.666666670000000, 0.333333330000000, 0.937373180000000 ] mass: 126.904470 reduced_to: 22 - symbol: I # 23 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000180960000000 ] mass: 126.904470 reduced_to: 23 - symbol: I # 24 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500130440000000 ] mass: 126.904470 reduced_to: 24supercell: lattice: - [ 8.444006379999999, 0.000000000000000, 0.000000000000000 ] # a - [ -4.222003200000000, 7.312724040000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 54.794638169999999 ] # c points: - symbol: Cd # 1 coordinates: [ 0.166666665000000, 0.333333335000000, 0.656322330000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 2 coordinates: [ 0.666666665000000, 0.333333335000000, 0.656322330000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 3 coordinates: [ 0.166666665000000, 0.833333335000000, 0.656322330000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 4 coordinates: [ 0.666666665000000, 0.833333335000000, 0.656322330000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.781250780000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 6 coordinates: [ 0.500000000000000, 0.000000000000000, 0.781250780000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 7 coordinates: [ 0.000000000000000, 0.500000000000000, 0.781250780000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 8 coordinates: [ 0.500000000000000, 0.500000000000000, 0.781250780000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 9 coordinates: [ 0.166666665000000, 0.333333335000000, 0.906254310000000 ] mass: 112.411000 reduced_to: 9 - symbol: Cd # 10 coordinates: [ 0.666666665000000, 0.333333335000000, 0.906254310000000 ] mass: 112.411000 reduced_to: 9 - symbol: Cd # 11 coordinates: [ 0.166666665000000, 0.833333335000000, 0.906254310000000 ] mass: 112.411000 reduced_to: 9 - symbol: Cd # 12 coordinates: [ 0.666666665000000, 0.833333335000000, 0.906254310000000 ] mass: 112.411000 reduced_to: 9 - symbol: Cd # 13 coordinates: [ 0.333333335000000, 0.166666665000000, 0.031301220000000 ] mass: 112.411000 reduced_to: 13 - symbol: Cd # 14 coordinates: [ 0.833333335000000, 0.166666665000000, 0.031301220000000 ] mass: 112.411000 reduced_to: 13 - symbol: Cd # 15 coordinates: [ 0.333333335000000, 0.666666665000000, 0.031301220000000 ] mass: 112.411000 reduced_to: 13 - symbol: Cd # 16 coordinates: [ 0.833333335000000, 0.666666665000000, 0.031301220000000 ] mass: 112.411000 reduced_to: 13 - symbol: Cd # 17 coordinates: [ 0.166666665000000, 0.333333335000000, 0.406157860000000 ] mass: 112.411000 reduced_to: 17 - symbol: Cd # 18 coordinates: [ 0.666666665000000, 0.333333335000000, 0.406157860000000 ] mass: 112.411000 reduced_to: 17 - symbol: Cd # 19 coordinates: [ 0.166666665000000, 0.833333335000000, 0.406157860000000 ] mass: 112.411000 reduced_to: 17 - symbol: Cd # 20 coordinates: [ 0.666666665000000, 0.833333335000000, 0.406157860000000 ] mass: 112.411000 reduced_to: 17 - symbol: Cd # 21 coordinates: [ 0.166666665000000, 0.333333335000000, 0.531249650000000 ] mass: 112.411000 reduced_to: 21 - symbol: Cd # 22 coordinates: [ 0.666666665000000, 0.333333335000000, 0.531249650000000 ] mass: 112.411000 reduced_to: 21 - symbol: Cd # 23 coordinates: [ 0.166666665000000, 0.833333335000000, 0.531249650000000 ] mass: 112.411000 reduced_to: 21 - symbol: Cd # 24 coordinates: [ 0.666666665000000, 0.833333335000000, 0.531249650000000 ] mass: 112.411000 reduced_to: 21 - symbol: Cd # 25 coordinates: [ 0.333333335000000, 0.166666665000000, 0.281208510000000 ] mass: 112.411000 reduced_to: 25 - symbol: Cd # 26 coordinates: [ 0.833333335000000, 0.166666665000000, 0.281208510000000 ] mass: 112.411000 reduced_to: 25 - symbol: Cd # 27 coordinates: [ 0.333333335000000, 0.666666665000000, 0.281208510000000 ] mass: 112.411000 reduced_to: 25 - symbol: Cd # 28 coordinates: [ 0.833333335000000, 0.666666665000000, 0.281208510000000 ] mass: 112.411000 reduced_to: 25 - symbol: Cd # 29 coordinates: [ 0.166666665000000, 0.333333335000000, 0.156269730000000 ] mass: 112.411000 reduced_to: 29 - symbol: Cd # 30 coordinates: [ 0.666666665000000, 0.333333335000000, 0.156269730000000 ] mass: 112.411000 reduced_to: 29 - symbol: Cd # 31 coordinates: [ 0.166666665000000, 0.833333335000000, 0.156269730000000 ] mass: 112.411000 reduced_to: 29 - symbol: Cd # 32 coordinates: [ 0.666666665000000, 0.833333335000000, 0.156269730000000 ] mass: 112.411000 reduced_to: 29 - symbol: I # 33 coordinates: [ 0.166666665000000, 0.333333335000000, 0.750140170000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 34 coordinates: [ 0.666666665000000, 0.333333335000000, 0.750140170000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 35 coordinates: [ 0.166666665000000, 0.833333335000000, 0.750140170000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 36 coordinates: [ 0.666666665000000, 0.833333335000000, 0.750140170000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 37 coordinates: [ 0.000000000000000, 0.000000000000000, 0.625211440000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 38 coordinates: [ 0.500000000000000, 0.000000000000000, 0.625211440000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 39 coordinates: [ 0.000000000000000, 0.500000000000000, 0.625211440000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 40 coordinates: [ 0.500000000000000, 0.500000000000000, 0.625211440000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 41 coordinates: [ 0.333333335000000, 0.166666665000000, 0.187380210000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 42 coordinates: [ 0.833333335000000, 0.166666665000000, 0.187380210000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 43 coordinates: [ 0.333333335000000, 0.666666665000000, 0.187380210000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 44 coordinates: [ 0.833333335000000, 0.666666665000000, 0.187380210000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 45 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250091100000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 46 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250091100000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 47 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250091100000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 48 coordinates: [ 0.500000000000000, 0.500000000000000, 0.250091100000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 49 coordinates: [ 0.333333335000000, 0.166666665000000, 0.437265740000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 50 coordinates: [ 0.833333335000000, 0.166666665000000, 0.437265740000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 51 coordinates: [ 0.333333335000000, 0.666666665000000, 0.437265740000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 52 coordinates: [ 0.833333335000000, 0.666666665000000, 0.437265740000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 53 coordinates: [ 0.166666665000000, 0.333333335000000, 0.312315520000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 54 coordinates: [ 0.666666665000000, 0.333333335000000, 0.312315520000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 55 coordinates: [ 0.166666665000000, 0.833333335000000, 0.312315520000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 56 coordinates: [ 0.666666665000000, 0.833333335000000, 0.312315520000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 57 coordinates: [ 0.166666665000000, 0.333333335000000, 0.062410090000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 58 coordinates: [ 0.666666665000000, 0.333333335000000, 0.062410090000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 59 coordinates: [ 0.166666665000000, 0.833333335000000, 0.062410090000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 60 coordinates: [ 0.666666665000000, 0.833333335000000, 0.062410090000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 61 coordinates: [ 0.000000000000000, 0.000000000000000, 0.125152020000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 62 coordinates: [ 0.500000000000000, 0.000000000000000, 0.125152020000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 63 coordinates: [ 0.000000000000000, 0.500000000000000, 0.125152020000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 64 coordinates: [ 0.500000000000000, 0.500000000000000, 0.125152020000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 65 coordinates: [ 0.333333335000000, 0.166666665000000, 0.687433050000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 66 coordinates: [ 0.833333335000000, 0.166666665000000, 0.687433050000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 67 coordinates: [ 0.333333335000000, 0.666666665000000, 0.687433050000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 68 coordinates: [ 0.833333335000000, 0.666666665000000, 0.687433050000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 69 coordinates: [ 0.333333335000000, 0.166666665000000, 0.812365280000000 ] mass: 126.904470 reduced_to: 69 - symbol: I # 70 coordinates: [ 0.833333335000000, 0.166666665000000, 0.812365280000000 ] mass: 126.904470 reduced_to: 69 - symbol: I # 71 coordinates: [ 0.333333335000000, 0.666666665000000, 0.812365280000000 ] mass: 126.904470 reduced_to: 69 - symbol: I # 72 coordinates: [ 0.833333335000000, 0.666666665000000, 0.812365280000000 ] mass: 126.904470 reduced_to: 69 - symbol: I # 73 coordinates: [ 0.000000000000000, 0.000000000000000, 0.875131810000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 74 coordinates: [ 0.500000000000000, 0.000000000000000, 0.875131810000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 75 coordinates: [ 0.000000000000000, 0.500000000000000, 0.875131810000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 76 coordinates: [ 0.500000000000000, 0.500000000000000, 0.875131810000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 77 coordinates: [ 0.333333335000000, 0.166666665000000, 0.562363150000000 ] mass: 126.904470 reduced_to: 77 - symbol: I # 78 coordinates: [ 0.833333335000000, 0.166666665000000, 0.562363150000000 ] mass: 126.904470 reduced_to: 77 - symbol: I # 79 coordinates: [ 0.333333335000000, 0.666666665000000, 0.562363150000000 ] mass: 126.904470 reduced_to: 77 - symbol: I # 80 coordinates: [ 0.833333335000000, 0.666666665000000, 0.562363150000000 ] mass: 126.904470 reduced_to: 77 - symbol: I # 81 coordinates: [ 0.000000000000000, 0.000000000000000, 0.375041390000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 82 coordinates: [ 0.500000000000000, 0.000000000000000, 0.375041390000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 83 coordinates: [ 0.000000000000000, 0.500000000000000, 0.375041390000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 84 coordinates: [ 0.500000000000000, 0.500000000000000, 0.375041390000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 85 coordinates: [ 0.333333335000000, 0.166666665000000, 0.937373180000000 ] mass: 126.904470 reduced_to: 85 - symbol: I # 86 coordinates: [ 0.833333335000000, 0.166666665000000, 0.937373180000000 ] mass: 126.904470 reduced_to: 85 - symbol: I # 87 coordinates: [ 0.333333335000000, 0.666666665000000, 0.937373180000000 ] mass: 126.904470 reduced_to: 85 - symbol: I # 88 coordinates: [ 0.833333335000000, 0.666666665000000, 0.937373180000000 ] mass: 126.904470 reduced_to: 85 - symbol: I # 89 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000180960000000 ] mass: 126.904470 reduced_to: 89 - symbol: I # 90 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000180960000000 ] mass: 126.904470 reduced_to: 89 - symbol: I # 91 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000180960000000 ] mass: 126.904470 reduced_to: 89 - symbol: I # 92 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000180960000000 ] mass: 126.904470 reduced_to: 89 - symbol: I # 93 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500130440000000 ] mass: 126.904470 reduced_to: 93 - symbol: I # 94 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500130440000000 ] mass: 126.904470 reduced_to: 93 - symbol: I # 95 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500130440000000 ] mass: 126.904470 reduced_to: 93 - symbol: I # 96 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500130440000000 ] mass: 126.904470 reduced_to: 93displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0336924300000000, 0.0000006400000000, 0.0001154000000000 ] - [ 0.0114423100000000, 0.0000008700000000, 0.0001055100000000 ] - [ 0.0003795100000000, -0.0063865100000000, -0.0039808500000000 ] - [ 0.0003792400000000, 0.0063853600000000, 0.0041929600000000 ] - [ -0.0002786900000000, -0.0000000900000000, 0.0001301600000000 ] - [ 0.0002589100000000, 0.0000001000000000, 0.0001303400000000 ] - [ 0.0000255800000000, -0.0001758700000000, 0.0003681500000000 ] - [ 0.0000259300000000, 0.0001756900000000, -0.0001071800000000 ] - [ -0.0000074500000000, -0.0000000400000000, -0.0000184000000000 ] - [ 0.0000075800000000, -0.0000000500000000, -0.0000184300000000 ] - [ -0.0000005700000000, -0.0000047400000000, -0.0000210800000000 ] - [ -0.0000005600000000, 0.0000046600000000, -0.0000157900000000 ] - [ -0.0000007900000000, -0.0000000600000000, -0.0001184100000000 ] - [ -0.0000007700000000, 0.0000002000000000, -0.0001182300000000 ] - [ -0.0000010100000000, 0.0000000400000000, -0.0001183300000000 ] - [ -0.0000009400000000, 0.0000000400000000, -0.0001183300000000 ] - [ 0.0000096200000000, 0.0000000600000000, -0.0004211300000000 ] - [ -0.0000088800000000, -0.0000000100000000, -0.0004212200000000 ] - [ -0.0000004800000000, 0.0000048400000000, -0.0004172100000000 ] - [ -0.0000004900000000, -0.0000048400000000, -0.0004252400000000 ] - [ -0.0000846000000000, -0.0000004200000000, -0.0002826800000000 ] - [ 0.0000844000000000, 0.0000004300000000, -0.0002818800000000 ] - [ 0.0000466200000000, -0.0000214800000000, -0.0004508600000000 ] - [ 0.0000480600000000, 0.0000213400000000, -0.0001141500000000 ] - [ -0.0000008200000000, 0.0000000800000000, -0.0003447400000000 ] - [ -0.0000007800000000, -0.0000000700000000, -0.0003447400000000 ] - [ -0.0000006800000000, 0.0000000100000000, -0.0003447300000000 ] - [ -0.0000013300000000, 0.0000000200000000, -0.0003447300000000 ] - [ -0.0000010300000000, -0.0000000500000000, -0.0000974200000000 ] - [ -0.0000016100000000, -0.0000000500000000, -0.0000973500000000 ] - [ -0.0000008000000000, 0.0000004400000000, -0.0000973600000000 ] - [ -0.0000008300000000, -0.0000004900000000, -0.0000973300000000 ] - [ -0.0000298300000000, -0.0000001400000000, -0.0002542300000000 ] - [ -0.0000847800000000, 0.0000000300000000, -0.0002539700000000 ] - [ 0.0000179200000000, 0.0000596800000000, -0.0005094000000000 ] - [ 0.0000181800000000, -0.0000590300000000, 0.0000007500000000 ] - [ 0.0002268300000000, 0.0000260800000000, -0.0007533900000000 ] - [ -0.0009408600000000, 0.0000031300000000, -0.0007774800000000 ] - [ 0.0057075900000000, -0.0031431600000000, 0.0070178100000000 ] - [ 0.0059572700000000, 0.0033307400000000, -0.0088479600000000 ] - [ -0.0000006600000000, -0.0000000200000000, 0.0003457700000000 ] - [ -0.0000006600000000, -0.0000003500000000, 0.0003471900000000 ] - [ -0.0000003800000000, -0.0000001900000000, 0.0003464700000000 ] - [ -0.0000008500000000, -0.0000001900000000, 0.0003464800000000 ] - [ -0.0000001600000000, -0.0000001500000000, -0.0004355300000000 ] - [ 0.0000000400000000, -0.0000001500000000, -0.0004355400000000 ] - [ -0.0000004000000000, 0.0000000000000000, -0.0004356000000000 ] - [ -0.0000004000000000, -0.0000002900000000, -0.0004354700000000 ] - [ 0.0000004300000000, -0.0000004000000000, 0.0007346000000000 ] - [ 0.0000004800000000, 0.0000001200000000, 0.0007546900000000 ] - [ -0.0000002800000000, -0.0000000100000000, 0.0007448200000000 ] - [ -0.0000028600000000, -0.0000000100000000, 0.0007448500000000 ] - [ -0.0000007000000000, -0.0000000300000000, 0.0005268400000000 ] - [ -0.0000009800000000, -0.0000000300000000, 0.0005268700000000 ] - [ -0.0000013100000000, -0.0000002300000000, 0.0005271400000000 ] - [ -0.0000013100000000, 0.0000001500000000, 0.0005265800000000 ] - [ -0.0000007500000000, 0.0000000100000000, 0.0005434900000000 ] - [ -0.0000010600000000, 0.0000000200000000, 0.0005434800000000 ] - [ -0.0000019800000000, -0.0000005100000000, 0.0005435600000000 ] - [ -0.0000019900000000, 0.0000005500000000, 0.0005434200000000 ] - [ -0.0000007900000000, 0.0000001700000000, -0.0003683800000000 ] - [ -0.0000012300000000, 0.0000001700000000, -0.0003683900000000 ] - [ -0.0000010700000000, 0.0000003300000000, -0.0003690900000000 ] - [ -0.0000010600000000, 0.0000000100000000, -0.0003676900000000 ] - [ 0.0058788600000000, -0.0032941900000000, 0.0087698600000000 ] - [ 0.0056288700000000, 0.0031060800000000, -0.0070813100000000 ] - [ 0.0002120400000000, -0.0000261200000000, 0.0006826000000000 ] - [ -0.0009388800000000, -0.0000032900000000, 0.0007068300000000 ] - [ -0.0000045700000000, -0.0000986100000000, 0.0003818100000000 ] - [ -0.0000047900000000, 0.0000988500000000, 0.0003878700000000 ] - [ -0.0001756800000000, 0.0000001500000000, 0.0003846500000000 ] - [ 0.0002048400000000, 0.0000000400000000, 0.0003849800000000 ] - [ -0.0000025000000000, 0.0000007600000000, -0.0001386500000000 ] - [ -0.0000009700000000, 0.0000003100000000, -0.0001388200000000 ] - [ 0.0000002100000000, -0.0000014000000000, -0.0001296600000000 ] - [ -0.0000001100000000, 0.0000018700000000, -0.0001474300000000 ] - [ -0.0000049800000000, -0.0000109500000000, 0.0008993800000000 ] - [ -0.0000048800000000, 0.0000111900000000, 0.0008072100000000 ] - [ -0.0000240900000000, -0.0000002700000000, 0.0008540800000000 ] - [ -0.0002362200000000, -0.0000002400000000, 0.0008523500000000 ] - [ -0.0000034300000000, 0.0000001400000000, -0.0005679600000000 ] - [ 0.0000019900000000, 0.0000001500000000, -0.0005679700000000 ] - [ -0.0000007600000000, -0.0000013800000000, -0.0005665500000000 ] - [ -0.0000007700000000, 0.0000016900000000, -0.0005693900000000 ] - [ -0.0000004400000000, 0.0000012700000000, 0.0004278200000000 ] - [ -0.0000004300000000, -0.0000018500000000, 0.0004341900000000 ] - [ 0.0000022600000000, -0.0000003000000000, 0.0004310200000000 ] - [ -0.0000030800000000, -0.0000002800000000, 0.0004309900000000 ] - [ -0.0000000200000000, -0.0000001000000000, -0.0002501100000000 ] - [ -0.0000003800000000, -0.0000001000000000, -0.0002501200000000 ] - [ -0.0000002400000000, 0.0000000300000000, -0.0002498900000000 ] - [ -0.0000002500000000, -0.0000002300000000, -0.0002503300000000 ] - [ 0.0001403400000000, 0.0000003000000000, -0.0007013100000000 ] - [ -0.0001107300000000, -0.0000000900000000, -0.0007010500000000 ] - [ -0.0000125900000000, 0.0000886000000000, -0.0006407400000000 ] - [ -0.0000132200000000, -0.0000883500000000, -0.0007617000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0327377100000000 ] - [ 0.0000000000000000, 0.0047191700000000, -0.0091033100000000 ] - [ -0.0040869200000000, -0.0023595800000000, -0.0091033100000000 ] - [ 0.0040869200000000, -0.0023595800000000, -0.0091033100000000 ] - [ 0.0000000000000000, -0.0000742800000000, 0.0004899100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003497700000000 ] - [ -0.0000643300000000, 0.0000371400000000, 0.0004899100000000 ] - [ 0.0000643300000000, 0.0000371400000000, 0.0004899100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002997200000000 ] - [ 0.0000000000000000, 0.0000030000000000, 0.0002967900000000 ] - [ -0.0000026000000000, -0.0000015000000000, 0.0002967900000000 ] - [ 0.0000026000000000, -0.0000015000000000, 0.0002967900000000 ] - [ -0.0000001800000000, 0.0000001000000000, 0.0001946700000000 ] - [ 0.0000001800000000, 0.0000001000000000, 0.0001946700000000 ] - [ 0.0000000000000000, -0.0000002000000000, 0.0001946700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001940800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000954200000000 ] - [ 0.0000000000000000, -0.0000047300000000, -0.0001083000000000 ] - [ 0.0000040900000000, 0.0000023600000000, -0.0001083000000000 ] - [ -0.0000040900000000, 0.0000023600000000, -0.0001083000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001111700000000 ] - [ 0.0000000000000000, 0.0001949300000000, 0.0001001800000000 ] - [ -0.0001688200000000, -0.0000974700000000, 0.0001001800000000 ] - [ 0.0001688200000000, -0.0000974700000000, 0.0001001800000000 ] - [ 0.0000001700000000, -0.0000001000000000, -0.0000320000000000 ] - [ -0.0000001700000000, -0.0000001000000000, -0.0000320000000000 ] - [ 0.0000000000000000, 0.0000001900000000, -0.0000320000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000323500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002133500000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0002150800000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0002150800000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0002150800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004182400000000 ] - [ 0.0000000000000000, -0.0000125700000000, -0.0002991200000000 ] - [ 0.0000108900000000, 0.0000062900000000, -0.0002991200000000 ] - [ -0.0000108900000000, 0.0000062900000000, -0.0002991200000000 ] - [ 0.0000000000000000, 0.0069919000000000, 0.0081788200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021406700000000 ] - [ 0.0060551600000000, -0.0034959500000000, 0.0081788200000000 ] - [ -0.0060551600000000, -0.0034959500000000, 0.0081788200000000 ] - [ -0.0000007100000000, 0.0000004100000000, 0.0001915700000000 ] - [ 0.0000007100000000, 0.0000004100000000, 0.0001915700000000 ] - [ 0.0000000000000000, -0.0000008200000000, 0.0001915700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001921400000000 ] - [ 0.0000000000000000, -0.0000000500000000, -0.0005933300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005918800000000 ] - [ -0.0000000400000000, 0.0000000200000000, -0.0005933300000000 ] - [ 0.0000000400000000, 0.0000000200000000, -0.0005933300000000 ] - [ 0.0000009700000000, -0.0000005600000000, 0.0005864000000000 ] - [ -0.0000009700000000, -0.0000005600000000, 0.0005864000000000 ] - [ 0.0000000000000000, 0.0000011200000000, 0.0005864000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005955300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003710500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003726800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003726800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003726800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003879100000000 ] - [ 0.0000000000000000, -0.0000000400000000, 0.0003886900000000 ] - [ 0.0000000400000000, 0.0000000200000000, 0.0003886900000000 ] - [ -0.0000000400000000, 0.0000000200000000, 0.0003886900000000 ] - [ 0.0000000000000000, -0.0000008200000000, -0.0005260200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005255200000000 ] - [ -0.0000007100000000, 0.0000004100000000, -0.0005260200000000 ] - [ 0.0000007100000000, 0.0000004100000000, -0.0005260200000000 ] - [ 0.0061620700000000, -0.0035576700000000, 0.0097372600000000 ] - [ -0.0061620700000000, -0.0035576700000000, 0.0097372600000000 ] - [ 0.0000000000000000, 0.0071153400000000, 0.0097372600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036186100000000 ] - [ -0.0000712800000000, 0.0000411600000000, 0.0002379600000000 ] - [ 0.0000712800000000, 0.0000411600000000, 0.0002379600000000 ] - [ 0.0000000000000000, -0.0000823100000000, 0.0002379600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001901800000000 ] - [ 0.0000000000000000, -0.0000005400000000, -0.0002926500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002992300000000 ] - [ -0.0000004600000000, 0.0000002700000000, -0.0002926500000000 ] - [ 0.0000004600000000, 0.0000002700000000, -0.0002926500000000 ] - [ -0.0000019000000000, 0.0000011000000000, 0.0008390100000000 ] - [ 0.0000019000000000, 0.0000011000000000, 0.0008390100000000 ] - [ 0.0000000000000000, -0.0000021900000000, 0.0008390100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005042200000000 ] - [ 0.0000000000000000, -0.0000012400000000, -0.0007246700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007268000000000 ] - [ -0.0000010700000000, 0.0000006200000000, -0.0007246700000000 ] - [ 0.0000010700000000, 0.0000006200000000, -0.0007246700000000 ] - [ -0.0000000200000000, 0.0000000100000000, 0.0002752800000000 ] - [ 0.0000000200000000, 0.0000000100000000, 0.0002752800000000 ] - [ 0.0000000000000000, -0.0000000200000000, 0.0002752800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002784000000000 ] - [ 0.0000000000000000, 0.0000003000000000, -0.0004079600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004062600000000 ] - [ 0.0000002600000000, -0.0000001500000000, -0.0004079600000000 ] - [ -0.0000002600000000, -0.0000001500000000, -0.0004079600000000 ] - [ 0.0000000000000000, 0.0001072200000000, -0.0008668500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008413300000000 ] - [ 0.0000928500000000, -0.0000536100000000, -0.0008668500000000 ] - [ -0.0000928500000000, -0.0000536100000000, -0.0008668500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0328923600000000 ] - [ 0.0000000000000000, -0.0047193300000000, 0.0093159400000000 ] - [ 0.0040870600000000, 0.0023596600000000, 0.0093159400000000 ] - [ -0.0040870600000000, 0.0023596600000000, 0.0093159400000000 ] - [ 0.0000000000000000, 0.0000718200000000, -0.0002278200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000888400000000 ] - [ 0.0000622000000000, -0.0000359100000000, -0.0002278200000000 ] - [ -0.0000622000000000, -0.0000359100000000, -0.0002278200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003352500000000 ] - [ 0.0000000000000000, -0.0000029300000000, -0.0003329500000000 ] - [ 0.0000025400000000, 0.0000014700000000, -0.0003329500000000 ] - [ -0.0000025400000000, 0.0000014700000000, -0.0003329500000000 ] - [ 0.0000001600000000, -0.0000000900000000, -0.0004308100000000 ] - [ -0.0000001600000000, -0.0000000900000000, -0.0004308100000000 ] - [ 0.0000000000000000, 0.0000001800000000, -0.0004308100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004302500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007439100000000 ] - [ 0.0000000000000000, 0.0000046700000000, -0.0007334500000000 ] - [ -0.0000040400000000, -0.0000023300000000, -0.0007334500000000 ] - [ 0.0000040400000000, -0.0000023300000000, -0.0007334500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004526000000000 ] - [ 0.0000000000000000, -0.0001925700000000, -0.0006636500000000 ] - [ 0.0001667700000000, 0.0000962900000000, -0.0006636500000000 ] - [ -0.0001667700000000, 0.0000962900000000, -0.0006636500000000 ] - [ -0.0000001600000000, 0.0000001000000000, -0.0006570000000000 ] - [ 0.0000001600000000, 0.0000001000000000, -0.0006570000000000 ] - [ 0.0000000000000000, -0.0000001900000000, -0.0006570000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006566100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004087500000000 ] - [ 0.0000000000000000, -0.0000000600000000, -0.0004089400000000 ] - [ 0.0000000500000000, 0.0000000300000000, -0.0004089400000000 ] - [ -0.0000000500000000, 0.0000000300000000, -0.0004089400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000910300000000 ] - [ 0.0000000000000000, 0.0000131000000000, -0.0002075800000000 ] - [ -0.0000113400000000, -0.0000065500000000, -0.0002075800000000 ] - [ 0.0000113400000000, -0.0000065500000000, -0.0002075800000000 ] - [ 0.0000000000000000, -0.0072197400000000, -0.0098217300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036919600000000 ] - [ -0.0062524800000000, 0.0036098700000000, -0.0098217300000000 ] - [ 0.0062524800000000, 0.0036098700000000, -0.0098217300000000 ] - [ 0.0000007200000000, -0.0000004200000000, 0.0005027000000000 ] - [ -0.0000007200000000, -0.0000004200000000, 0.0005027000000000 ] - [ 0.0000000000000000, 0.0000008300000000, 0.0005027000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005021800000000 ] - [ 0.0000000000000000, 0.0000000200000000, -0.0002779200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002793500000000 ] - [ 0.0000000100000000, -0.0000000100000000, -0.0002779200000000 ] - [ -0.0000000100000000, -0.0000000100000000, -0.0002779200000000 ] - [ -0.0000009600000000, 0.0000005500000000, 0.0009054800000000 ] - [ 0.0000009600000000, 0.0000005500000000, 0.0009054800000000 ] - [ 0.0000000000000000, -0.0000011100000000, 0.0009054800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008963900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006839600000000 ] - [ 0.0000000000000000, 0.0000000200000000, 0.0006825000000000 ] - [ -0.0000000200000000, -0.0000000100000000, 0.0006825000000000 ] - [ 0.0000000200000000, -0.0000000100000000, 0.0006825000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007004500000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0006998200000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0006998200000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0006998200000000 ] - [ 0.0000000000000000, 0.0000008200000000, -0.0002108500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002113500000000 ] - [ 0.0000007100000000, -0.0000004100000000, -0.0002108500000000 ] - [ -0.0000007100000000, -0.0000004100000000, -0.0002108500000000 ] - [ -0.0059648500000000, 0.0034438100000000, -0.0082344400000000 ] - [ 0.0059648500000000, 0.0034438100000000, -0.0082344400000000 ] - [ 0.0000000000000000, -0.0068876200000000, -0.0082344400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022074200000000 ] - [ 0.0000707900000000, -0.0000408700000000, 0.0005332900000000 ] - [ -0.0000707900000000, -0.0000408700000000, 0.0005332900000000 ] - [ 0.0000000000000000, 0.0000817400000000, 0.0005332900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005823600000000 ] - [ 0.0000000000000000, 0.0000009000000000, 0.0000158100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000217000000000 ] - [ 0.0000007800000000, -0.0000004500000000, 0.0000158100000000 ] - [ -0.0000007800000000, -0.0000004500000000, 0.0000158100000000 ] - [ 0.0000016200000000, -0.0000009300000000, 0.0008697400000000 ] - [ -0.0000016200000000, -0.0000009300000000, 0.0008697400000000 ] - [ 0.0000000000000000, 0.0000018700000000, 0.0008697400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011999000000000 ] - [ 0.0000000000000000, 0.0000012300000000, -0.0004121600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004100600000000 ] - [ 0.0000010700000000, -0.0000006200000000, -0.0004121600000000 ] - [ -0.0000010700000000, -0.0000006200000000, -0.0004121600000000 ] - [ 0.0000000400000000, -0.0000000200000000, 0.0005880200000000 ] - [ -0.0000000400000000, -0.0000000200000000, 0.0005880200000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0005880200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005849100000000 ] - [ 0.0000000000000000, -0.0000002900000000, -0.0000924600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000941600000000 ] - [ -0.0000002500000000, 0.0000001400000000, -0.0000924600000000 ] - [ 0.0000002500000000, 0.0000001400000000, -0.0000924600000000 ] - [ 0.0000000000000000, -0.0001066300000000, -0.0005357700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005600600000000 ] - [ -0.0000923500000000, 0.0000533200000000, -0.0005357700000000 ] - [ 0.0000923500000000, 0.0000533200000000, -0.0005357700000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002785600000000, 0.0000003900000000, 0.0001060300000000 ] - [ 0.0002590900000000, -0.0000006500000000, 0.0001053600000000 ] - [ 0.0000268200000000, -0.0001757800000000, 0.0000422200000000 ] - [ 0.0000250800000000, 0.0001758500000000, 0.0001688300000000 ] - [ -0.0337027100000000, 0.0000004700000000, 0.0001690000000000 ] - [ 0.0114404200000000, 0.0000009400000000, 0.0001294900000000 ] - [ 0.0003801800000000, -0.0063849000000000, 0.0042142200000000 ] - [ 0.0003801100000000, 0.0063839000000000, -0.0039540000000000 ] - [ -0.0002778200000000, 0.0000000500000000, -0.0000188600000000 ] - [ 0.0002586400000000, -0.0000001200000000, -0.0000186600000000 ] - [ 0.0000259300000000, -0.0001752400000000, -0.0002562700000000 ] - [ 0.0000256200000000, 0.0001753200000000, 0.0002191800000000 ] - [ -0.0000010600000000, 0.0000042600000000, -0.0001226800000000 ] - [ -0.0000010700000000, -0.0000041300000000, -0.0001145500000000 ] - [ 0.0000058100000000, 0.0000000600000000, -0.0001186300000000 ] - [ -0.0000083200000000, 0.0000000400000000, -0.0001186200000000 ] - [ -0.0000003600000000, -0.0000000100000000, -0.0004215200000000 ] - [ -0.0000009200000000, 0.0000000000000000, -0.0004215100000000 ] - [ -0.0000004600000000, 0.0000000600000000, -0.0004213500000000 ] - [ -0.0000004400000000, -0.0000000500000000, -0.0004217000000000 ] - [ -0.0000053300000000, -0.0000000400000000, -0.0002826100000000 ] - [ 0.0000029400000000, -0.0000000500000000, -0.0002826400000000 ] - [ -0.0000007900000000, -0.0000026400000000, -0.0002870400000000 ] - [ -0.0000008100000000, 0.0000025900000000, -0.0002782200000000 ] - [ -0.0000011100000000, 0.0000010000000000, -0.0003449800000000 ] - [ -0.0000011000000000, -0.0000009800000000, -0.0003450900000000 ] - [ -0.0000012500000000, 0.0000000100000000, -0.0003450200000000 ] - [ -0.0000028200000000, 0.0000000300000000, -0.0003450300000000 ] - [ -0.0000006700000000, -0.0000000300000000, -0.0000976300000000 ] - [ -0.0000006700000000, -0.0000000500000000, -0.0000976500000000 ] - [ -0.0000004700000000, -0.0000001400000000, -0.0000978200000000 ] - [ -0.0000004800000000, 0.0000000900000000, -0.0000974600000000 ] - [ 0.0002301700000000, -0.0000261200000000, -0.0002306500000000 ] - [ -0.0009375800000000, -0.0000030900000000, -0.0002547600000000 ] - [ 0.0059703200000000, -0.0033363200000000, -0.0083207000000000 ] - [ 0.0057206100000000, 0.0031487800000000, 0.0075357900000000 ] - [ 0.0000059300000000, -0.0000000300000000, -0.0007768500000000 ] - [ 0.0000058200000000, 0.0000002400000000, -0.0007773700000000 ] - [ -0.0000224400000000, -0.0000161200000000, -0.0009366400000000 ] - [ -0.0000218800000000, 0.0000161900000000, -0.0006173600000000 ] - [ -0.0000003500000000, -0.0000002100000000, 0.0003460700000000 ] - [ -0.0000003400000000, -0.0000001500000000, 0.0003462900000000 ] - [ 0.0000002900000000, -0.0000001900000000, 0.0003461900000000 ] - [ -0.0000002900000000, -0.0000001900000000, 0.0003461800000000 ] - [ -0.0000001100000000, -0.0000001500000000, -0.0004358300000000 ] - [ -0.0000002800000000, -0.0000001500000000, -0.0004358300000000 ] - [ 0.0000006200000000, 0.0000003700000000, -0.0004358400000000 ] - [ 0.0000006200000000, -0.0000006600000000, -0.0004358400000000 ] - [ -0.0000001200000000, -0.0000000800000000, 0.0007445000000000 ] - [ -0.0000001200000000, 0.0000000800000000, 0.0007446000000000 ] - [ -0.0000001900000000, -0.0000000100000000, 0.0007445400000000 ] - [ 0.0000000300000000, -0.0000000100000000, 0.0007445500000000 ] - [ -0.0000006900000000, -0.0000000300000000, 0.0005265400000000 ] - [ -0.0000010600000000, -0.0000000300000000, 0.0005265600000000 ] - [ -0.0000008500000000, 0.0000000700000000, 0.0005258700000000 ] - [ -0.0000008600000000, -0.0000001300000000, 0.0005272300000000 ] - [ -0.0000035200000000, 0.0000000200000000, 0.0005431900000000 ] - [ 0.0000026500000000, 0.0000000200000000, 0.0005431800000000 ] - [ -0.0000005100000000, -0.0000017100000000, 0.0005420000000000 ] - [ -0.0000005100000000, 0.0000017600000000, 0.0005443700000000 ] - [ -0.0000005300000000, 0.0000001800000000, -0.0003686900000000 ] - [ -0.0000008200000000, 0.0000001800000000, -0.0003686900000000 ] - [ -0.0000011300000000, 0.0000000000000000, -0.0003685400000000 ] - [ -0.0000011200000000, 0.0000003600000000, -0.0003688400000000 ] - [ 0.0000042300000000, 0.0000306800000000, 0.0007414600000000 ] - [ 0.0000043200000000, -0.0000311600000000, 0.0006704000000000 ] - [ -0.0001473200000000, -0.0000001000000000, 0.0007049400000000 ] - [ -0.0000492700000000, 0.0000000300000000, 0.0007067700000000 ] - [ 0.0058715800000000, 0.0032892700000000, 0.0084400900000000 ] - [ 0.0056217700000000, -0.0031013600000000, -0.0073945500000000 ] - [ -0.0009369900000000, 0.0000032800000000, 0.0003854100000000 ] - [ 0.0002132100000000, 0.0000260800000000, 0.0003612600000000 ] - [ -0.0000291500000000, 0.0000004500000000, -0.0001395700000000 ] - [ -0.0000839300000000, 0.0000002600000000, -0.0001392500000000 ] - [ 0.0000175900000000, 0.0000585200000000, 0.0001134900000000 ] - [ 0.0000173100000000, -0.0000585400000000, -0.0003926400000000 ] - [ 0.0000002500000000, 0.0000014700000000, 0.0008574800000000 ] - [ 0.0000005700000000, -0.0000017700000000, 0.0008472100000000 ] - [ -0.0000011100000000, -0.0000000800000000, 0.0008526500000000 ] - [ -0.0000021300000000, 0.0000003700000000, 0.0008524400000000 ] - [ -0.0000006000000000, 0.0000001400000000, -0.0005682600000000 ] - [ -0.0000008800000000, 0.0000001500000000, -0.0005682700000000 ] - [ -0.0000018400000000, -0.0000004000000000, -0.0005682100000000 ] - [ -0.0000018400000000, 0.0000007100000000, -0.0005683300000000 ] - [ -0.0000041200000000, 0.0000973800000000, 0.0004276500000000 ] - [ -0.0000043100000000, -0.0000980100000000, 0.0004338400000000 ] - [ 0.0002032300000000, -0.0000002400000000, 0.0004309100000000 ] - [ -0.0001734100000000, -0.0000003200000000, 0.0004305600000000 ] - [ 0.0000015600000000, -0.0000000900000000, -0.0002504200000000 ] - [ -0.0000012500000000, -0.0000001000000000, -0.0002504000000000 ] - [ -0.0000002000000000, 0.0000005100000000, -0.0002615100000000 ] - [ -0.0000002100000000, -0.0000007000000000, -0.0002393000000000 ] - [ 0.0000031000000000, 0.0000001200000000, -0.0007014900000000 ] - [ -0.0000034900000000, 0.0000001200000000, -0.0007014600000000 ] - [ -0.0000009400000000, 0.0000015900000000, -0.0007011500000000 ] - [ -0.0000009200000000, -0.0000013600000000, -0.0007018000000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0002753200000000, 0.0004657200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003250100000000 ] - [ 0.0002384400000000, -0.0001376600000000, 0.0004657200000000 ] - [ -0.0002384400000000, -0.0001376600000000, 0.0004657200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0326980700000000 ] - [ 0.0000000000000000, -0.0047157800000000, -0.0090796200000000 ] - [ 0.0040839900000000, 0.0023578900000000, -0.0090796200000000 ] - [ -0.0040839900000000, 0.0023578900000000, -0.0090796200000000 ] - [ 0.0000000000000000, 0.0000739800000000, 0.0003427100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002024800000000 ] - [ 0.0000640700000000, -0.0000369900000000, 0.0003427100000000 ] - [ -0.0000640700000000, -0.0000369900000000, 0.0003427100000000 ] - [ -0.0000040500000000, -0.0000023400000000, 0.0001943000000000 ] - [ 0.0000040500000000, -0.0000023400000000, 0.0001943000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001975300000000 ] - [ 0.0000000000000000, 0.0000046700000000, 0.0001943000000000 ] - [ 0.0000000000000000, -0.0000000200000000, -0.0001080900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001084500000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0001080900000000 ] - [ 0.0000000200000000, 0.0000000100000000, -0.0001080900000000 ] - [ 0.0000000000000000, 0.0000003100000000, 0.0000333000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000295800000000 ] - [ 0.0000002700000000, -0.0000001600000000, 0.0000333000000000 ] - [ -0.0000002700000000, -0.0000001600000000, 0.0000333000000000 ] - [ 0.0000000300000000, 0.0000000200000000, -0.0000316900000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0000316900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000328200000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0000316900000000 ] - [ 0.0000000000000000, -0.0000000800000000, 0.0002160300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002154600000000 ] - [ -0.0000000700000000, 0.0000000400000000, 0.0002160300000000 ] - [ 0.0000000700000000, 0.0000000400000000, 0.0002160300000000 ] - [ 0.0000000000000000, -0.0070011100000000, 0.0086996300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026732500000000 ] - [ -0.0060631400000000, 0.0035005600000000, 0.0086996300000000 ] - [ 0.0060631400000000, 0.0035005600000000, 0.0086996300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008137900000000 ] - [ 0.0000000000000000, 0.0000573400000000, -0.0009809700000000 ] - [ -0.0000496600000000, -0.0000286700000000, -0.0009809700000000 ] - [ 0.0000496600000000, -0.0000286700000000, -0.0009809700000000 ] - [ -0.0000001200000000, -0.0000000700000000, 0.0001917300000000 ] - [ 0.0000001200000000, -0.0000000700000000, 0.0001917300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001931500000000 ] - [ 0.0000000000000000, 0.0000001400000000, 0.0001917300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005934600000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0005919800000000 ] - [ 0.0000000300000000, 0.0000000200000000, -0.0005919800000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0005919800000000 ] - [ 0.0000002700000000, 0.0000001600000000, 0.0005885100000000 ] - [ -0.0000002700000000, 0.0000001600000000, 0.0005885100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005905900000000 ] - [ 0.0000000000000000, -0.0000003100000000, 0.0005885100000000 ] - [ 0.0000000000000000, -0.0000009000000000, 0.0003723400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003728300000000 ] - [ -0.0000007800000000, 0.0000004500000000, 0.0003723400000000 ] - [ 0.0000007800000000, 0.0000004500000000, 0.0003723400000000 ] - [ 0.0000000000000000, 0.0000014800000000, 0.0003895400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003884400000000 ] - [ 0.0000012800000000, -0.0000007400000000, 0.0003895400000000 ] - [ -0.0000012800000000, -0.0000007400000000, 0.0003895400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005269600000000 ] - [ 0.0000000000000000, 0.0000000400000000, -0.0005254300000000 ] - [ -0.0000000400000000, -0.0000000200000000, -0.0005254300000000 ] - [ 0.0000000400000000, -0.0000000200000000, -0.0005254300000000 ] - [ -0.0000135100000000, -0.0000078000000000, 0.0006985100000000 ] - [ 0.0000135100000000, -0.0000078000000000, 0.0006985100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003525800000000 ] - [ 0.0000000000000000, 0.0000156000000000, 0.0006985100000000 ] - [ 0.0061540100000000, 0.0035530200000000, 0.0094171400000000 ] - [ -0.0061540100000000, 0.0035530200000000, 0.0094171400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032995200000000 ] - [ 0.0000000000000000, -0.0071060400000000, 0.0094171400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003051200000000 ] - [ 0.0000000000000000, 0.0000122700000000, -0.0001849400000000 ] - [ -0.0000106200000000, -0.0000061300000000, -0.0001849400000000 ] - [ 0.0000106200000000, -0.0000061300000000, -0.0001849400000000 ] - [ -0.0000012500000000, -0.0000007200000000, 0.0006968300000000 ] - [ 0.0000012500000000, -0.0000007200000000, 0.0006968300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006964900000000 ] - [ 0.0000000000000000, 0.0000014400000000, 0.0006968300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007259900000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0007254300000000 ] - [ 0.0000000300000000, 0.0000000200000000, -0.0007254300000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0007254300000000 ] - [ -0.0000704100000000, -0.0000406500000000, 0.0002857800000000 ] - [ 0.0000704100000000, -0.0000406500000000, 0.0002857800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002379300000000 ] - [ 0.0000000000000000, 0.0000813100000000, 0.0002857800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004019300000000 ] - [ 0.0000000000000000, 0.0000007100000000, -0.0004088300000000 ] - [ -0.0000006200000000, -0.0000003600000000, -0.0004088300000000 ] - [ 0.0000006200000000, -0.0000003600000000, -0.0004088300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008595200000000 ] - [ 0.0000000000000000, 0.0000018100000000, -0.0008579900000000 ] - [ -0.0000015700000000, -0.0000009100000000, -0.0008579900000000 ] - [ 0.0000015700000000, -0.0000009100000000, -0.0008579900000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0002734200000000, -0.0002525000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001138800000000 ] - [ -0.0002367900000000, 0.0001367100000000, -0.0002525000000000 ] - [ 0.0002367900000000, 0.0001367100000000, -0.0002525000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0329142800000000 ] - [ 0.0000000000000000, 0.0047158600000000, 0.0093407700000000 ] - [ -0.0040840500000000, -0.0023579300000000, 0.0093407700000000 ] - [ 0.0040840500000000, -0.0023579300000000, 0.0093407700000000 ] - [ 0.0000000000000000, -0.0000715500000000, -0.0003786200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002395300000000 ] - [ -0.0000619700000000, 0.0000357800000000, -0.0003786200000000 ] - [ 0.0000619700000000, 0.0000357800000000, -0.0003786200000000 ] - [ 0.0000041100000000, 0.0000023700000000, -0.0004303700000000 ] - [ -0.0000041100000000, 0.0000023700000000, -0.0004303700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004336300000000 ] - [ 0.0000000000000000, -0.0000047400000000, -0.0004303700000000 ] - [ 0.0000000000000000, 0.0000000600000000, -0.0007336700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007333200000000 ] - [ 0.0000000500000000, -0.0000000300000000, -0.0007336700000000 ] - [ -0.0000000500000000, -0.0000000300000000, -0.0007336700000000 ] - [ 0.0000000000000000, -0.0000002900000000, -0.0005972200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005935600000000 ] - [ -0.0000002500000000, 0.0000001400000000, -0.0005972200000000 ] - [ 0.0000002500000000, 0.0000001400000000, -0.0005972200000000 ] - [ 0.0000000200000000, 0.0000000100000000, -0.0006572600000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0006572600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006561700000000 ] - [ 0.0000000000000000, -0.0000000200000000, -0.0006572600000000 ] - [ 0.0000000000000000, 0.0000001100000000, -0.0004099400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004094300000000 ] - [ 0.0000001000000000, -0.0000000600000000, -0.0004099400000000 ] - [ -0.0000001000000000, -0.0000000600000000, -0.0004099400000000 ] - [ 0.0000000000000000, 0.0072289700000000, -0.0092963200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031784500000000 ] - [ 0.0062604700000000, -0.0036144900000000, -0.0092963200000000 ] - [ -0.0062604700000000, -0.0036144900000000, -0.0092963200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007396400000000 ] - [ 0.0000000000000000, -0.0000564700000000, -0.0005728700000000 ] - [ 0.0000489000000000, 0.0000282300000000, -0.0005728700000000 ] - [ -0.0000489000000000, 0.0000282300000000, -0.0005728700000000 ] - [ 0.0000001300000000, 0.0000000700000000, 0.0005024500000000 ] - [ -0.0000001300000000, 0.0000000700000000, 0.0005024500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005010000000000 ] - [ 0.0000000000000000, -0.0000001400000000, 0.0005024500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002778600000000 ] - [ 0.0000000000000000, 0.0000000300000000, -0.0002792700000000 ] - [ -0.0000000300000000, -0.0000000200000000, -0.0002792700000000 ] - [ 0.0000000300000000, -0.0000000200000000, -0.0002792700000000 ] - [ -0.0000002700000000, -0.0000001500000000, 0.0009030100000000 ] - [ 0.0000002700000000, -0.0000001500000000, 0.0009030100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009009100000000 ] - [ 0.0000000000000000, 0.0000003100000000, 0.0009030100000000 ] - [ 0.0000000000000000, 0.0000009000000000, 0.0006827700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006822500000000 ] - [ 0.0000007800000000, -0.0000004500000000, 0.0006827700000000 ] - [ -0.0000007800000000, -0.0000004500000000, 0.0006827700000000 ] - [ 0.0000000000000000, -0.0000014700000000, 0.0006988000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006998700000000 ] - [ -0.0000012800000000, 0.0000007400000000, 0.0006988000000000 ] - [ 0.0000012800000000, 0.0000007400000000, 0.0006988000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002099300000000 ] - [ 0.0000000000000000, -0.0000000400000000, -0.0002114400000000 ] - [ 0.0000000300000000, 0.0000000200000000, -0.0002114400000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0002114400000000 ] - [ 0.0000131600000000, 0.0000076000000000, 0.0007166500000000 ] - [ -0.0000131600000000, 0.0000076000000000, 0.0007166500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010578200000000 ] - [ 0.0000000000000000, -0.0000151900000000, 0.0007166500000000 ] - [ -0.0059570400000000, -0.0034393000000000, -0.0085570100000000 ] - [ 0.0059570400000000, -0.0034393000000000, -0.0085570100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025310300000000 ] - [ 0.0000000000000000, 0.0068786000000000, -0.0085570100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000260400000000 ] - [ 0.0000000000000000, -0.0000128200000000, -0.0000910800000000 ] - [ 0.0000111000000000, 0.0000064100000000, -0.0000910800000000 ] - [ -0.0000111000000000, 0.0000064100000000, -0.0000910800000000 ] - [ 0.0000009300000000, 0.0000005300000000, 0.0010096700000000 ] - [ -0.0000009300000000, 0.0000005300000000, 0.0010096700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010106700000000 ] - [ 0.0000000000000000, -0.0000010700000000, 0.0010096700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004105400000000 ] - [ 0.0000000000000000, 0.0000000400000000, -0.0004112700000000 ] - [ -0.0000000400000000, -0.0000000200000000, -0.0004112700000000 ] - [ 0.0000000400000000, -0.0000000200000000, -0.0004112700000000 ] - [ 0.0000698900000000, 0.0000403500000000, 0.0005767500000000 ] - [ -0.0000698900000000, 0.0000403500000000, 0.0005767500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006259100000000 ] - [ 0.0000000000000000, -0.0000807000000000, 0.0005767500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000982500000000 ] - [ 0.0000000000000000, -0.0000007100000000, -0.0000914600000000 ] - [ 0.0000006200000000, 0.0000003600000000, -0.0000914600000000 ] - [ -0.0000006200000000, 0.0000003600000000, -0.0000914600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005427100000000 ] - [ 0.0000000000000000, -0.0000018100000000, -0.0005441700000000 ] - [ 0.0000015700000000, 0.0000009000000000, -0.0005441700000000 ] - [ -0.0000015700000000, 0.0000009000000000, -0.0005441700000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000072900000000, -0.0000000800000000, 0.0001056900000000 ] - [ 0.0000077200000000, -0.0000000900000000, 0.0001057200000000 ] - [ -0.0000004100000000, -0.0000047600000000, 0.0001030900000000 ] - [ -0.0000004200000000, 0.0000046400000000, 0.0001083200000000 ] - [ -0.0002779000000000, -0.0000004300000000, 0.0001303600000000 ] - [ 0.0002584700000000, 0.0000005800000000, 0.0001296800000000 ] - [ 0.0000248300000000, -0.0001754000000000, 0.0001929300000000 ] - [ 0.0000265500000000, 0.0001751600000000, 0.0000668500000000 ] - [ -0.0337191400000000, 0.0000008100000000, 0.0000171200000000 ] - [ 0.0114429500000000, 0.0000009000000000, -0.0000191600000000 ] - [ 0.0003825400000000, -0.0063850900000000, -0.0040984900000000 ] - [ 0.0003823300000000, 0.0063840000000000, 0.0040612400000000 ] - [ 0.0000264000000000, -0.0001747700000000, -0.0000556000000000 ] - [ 0.0000246900000000, 0.0001751100000000, -0.0001812600000000 ] - [ -0.0002774700000000, 0.0000005000000000, -0.0001189200000000 ] - [ 0.0002579800000000, -0.0000005100000000, -0.0001182400000000 ] - [ -0.0000009500000000, -0.0000000200000000, -0.0004215800000000 ] - [ -0.0000014200000000, 0.0000000000000000, -0.0004215000000000 ] - [ -0.0000006300000000, 0.0000004600000000, -0.0004215200000000 ] - [ -0.0000006200000000, -0.0000004500000000, -0.0004214900000000 ] - [ 0.0000006600000000, -0.0000000200000000, -0.0002826400000000 ] - [ -0.0000002000000000, -0.0000000500000000, -0.0002826200000000 ] - [ -0.0000003300000000, -0.0000001200000000, -0.0002827200000000 ] - [ -0.0000003700000000, 0.0000000500000000, -0.0002825000000000 ] - [ -0.0000006500000000, -0.0000001600000000, -0.0003450800000000 ] - [ -0.0000006100000000, 0.0000001700000000, -0.0003449600000000 ] - [ -0.0000009100000000, 0.0000000100000000, -0.0003450100000000 ] - [ -0.0000007400000000, 0.0000000200000000, -0.0003450300000000 ] - [ -0.0000072000000000, -0.0000000300000000, -0.0000975700000000 ] - [ 0.0000077300000000, -0.0000000500000000, -0.0000976200000000 ] - [ -0.0000003600000000, -0.0000047100000000, -0.0001002300000000 ] - [ -0.0000004000000000, 0.0000046500000000, -0.0000950100000000 ] - [ 0.0000068700000000, 0.0000001000000000, -0.0002539000000000 ] - [ 0.0000058000000000, -0.0000002000000000, -0.0002544000000000 ] - [ -0.0000212700000000, -0.0000157600000000, -0.0000950400000000 ] - [ -0.0000218200000000, 0.0000158100000000, -0.0004130900000000 ] - [ 0.0000010200000000, 0.0000000500000000, -0.0007769800000000 ] - [ -0.0000022500000000, 0.0000000600000000, -0.0007769700000000 ] - [ -0.0000007200000000, 0.0000010700000000, -0.0007812000000000 ] - [ -0.0000007100000000, -0.0000009400000000, -0.0007727500000000 ] - [ -0.0000002700000000, 0.0000008200000000, 0.0003420000000000 ] - [ -0.0000002700000000, -0.0000012000000000, 0.0003503700000000 ] - [ 0.0000014800000000, -0.0000001900000000, 0.0003461900000000 ] - [ -0.0000018200000000, -0.0000001900000000, 0.0003461900000000 ] - [ 0.0000001000000000, -0.0000001500000000, -0.0004357900000000 ] - [ -0.0000002300000000, -0.0000001500000000, -0.0004357800000000 ] - [ -0.0000001100000000, -0.0000000300000000, -0.0004355000000000 ] - [ -0.0000001100000000, -0.0000002700000000, -0.0004361000000000 ] - [ -0.0000003900000000, 0.0000001600000000, 0.0007438300000000 ] - [ -0.0000004000000000, -0.0000001600000000, 0.0007452600000000 ] - [ -0.0000001200000000, -0.0000000100000000, 0.0007445400000000 ] - [ -0.0000005700000000, -0.0000000100000000, 0.0007445500000000 ] - [ -0.0000005700000000, -0.0000000400000000, 0.0005265500000000 ] - [ -0.0000009700000000, -0.0000000300000000, 0.0005265800000000 ] - [ -0.0000018500000000, -0.0000005500000000, 0.0005266600000000 ] - [ -0.0000018500000000, 0.0000004700000000, 0.0005264700000000 ] - [ 0.0000063300000000, -0.0000000700000000, 0.0005430300000000 ] - [ 0.0000051300000000, 0.0000001900000000, 0.0005435100000000 ] - [ -0.0000223200000000, -0.0000157100000000, 0.0007016600000000 ] - [ -0.0000217800000000, 0.0000156900000000, 0.0003846600000000 ] - [ -0.0000012100000000, 0.0000006100000000, -0.0003684400000000 ] - [ -0.0000024000000000, 0.0000001700000000, -0.0003686500000000 ] - [ 0.0000002900000000, -0.0000008500000000, -0.0003632500000000 ] - [ -0.0000000200000000, 0.0000010200000000, -0.0003734400000000 ] - [ 0.0000004300000000, -0.0000009800000000, 0.0007104600000000 ] - [ 0.0000007400000000, 0.0000009200000000, 0.0007002100000000 ] - [ -0.0000007800000000, -0.0000005600000000, 0.0007054300000000 ] - [ -0.0000019500000000, -0.0000001200000000, 0.0007056400000000 ] - [ 0.0000036500000000, -0.0000306000000000, 0.0004205100000000 ] - [ 0.0000038000000000, 0.0000310500000000, 0.0003493000000000 ] - [ -0.0000496700000000, -0.0000000300000000, 0.0003856600000000 ] - [ -0.0001451500000000, 0.0000001000000000, 0.0003838400000000 ] - [ 0.0002332800000000, 0.0000263600000000, -0.0001159100000000 ] - [ -0.0009372100000000, 0.0000033900000000, -0.0001398700000000 ] - [ 0.0057028300000000, -0.0031364900000000, 0.0076214400000000 ] - [ 0.0059519800000000, 0.0033241700000000, -0.0081759900000000 ] - [ -0.0000001800000000, 0.0000000600000000, 0.0008529400000000 ] - [ -0.0000001700000000, -0.0000002100000000, 0.0008523700000000 ] - [ 0.0000000600000000, -0.0000000800000000, 0.0008526500000000 ] - [ -0.0000003300000000, -0.0000000800000000, 0.0008526500000000 ] - [ -0.0000006200000000, 0.0000001400000000, -0.0005682100000000 ] - [ -0.0000010800000000, 0.0000001500000000, -0.0005682100000000 ] - [ -0.0000009000000000, 0.0000003100000000, -0.0005689200000000 ] - [ -0.0000009000000000, -0.0000000100000000, -0.0005675300000000 ] - [ 0.0059569200000000, -0.0033271300000000, 0.0084738700000000 ] - [ 0.0057075700000000, 0.0031394200000000, -0.0073359100000000 ] - [ 0.0002330200000000, -0.0000263700000000, 0.0004074900000000 ] - [ -0.0009366800000000, -0.0000033700000000, 0.0004315000000000 ] - [ -0.0000485400000000, 0.0000000400000000, -0.0002514900000000 ] - [ -0.0001442400000000, -0.0000000900000000, -0.0002496900000000 ] - [ 0.0000044100000000, -0.0000307500000000, -0.0002147800000000 ] - [ 0.0000042500000000, 0.0000302900000000, -0.0002866700000000 ] - [ -0.0000005300000000, 0.0000001100000000, -0.0007014500000000 ] - [ -0.0000003100000000, 0.0000001200000000, -0.0007014500000000 ] - [ -0.0000007700000000, 0.0000002500000000, -0.0007015400000000 ] - [ -0.0000007600000000, -0.0000000300000000, -0.0007013600000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0004233400000000 ] - [ 0.0000000000000000, 0.0000029600000000, 0.0004208400000000 ] - [ -0.0000025700000000, -0.0000014800000000, 0.0004208400000000 ] - [ 0.0000025700000000, -0.0000014800000000, 0.0004208400000000 ] - [ 0.0000000000000000, -0.0002754300000000, 0.0004910500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003502600000000 ] - [ -0.0002385300000000, 0.0001377100000000, 0.0004910500000000 ] - [ 0.0002385300000000, 0.0001377100000000, 0.0004910500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0327381900000000 ] - [ 0.0000000000000000, 0.0047111700000000, -0.0092374500000000 ] - [ -0.0040799900000000, -0.0023555800000000, -0.0092374500000000 ] - [ 0.0040799900000000, -0.0023555800000000, -0.0092374500000000 ] - [ -0.0002362600000000, 0.0001364100000000, 0.0002418300000000 ] - [ 0.0002362600000000, 0.0001364100000000, 0.0002418300000000 ] - [ 0.0000000000000000, -0.0002728100000000, 0.0002418300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001035800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001079900000000 ] - [ 0.0000000000000000, 0.0000000300000000, -0.0001076900000000 ] - [ -0.0000000300000000, -0.0000000200000000, -0.0001076900000000 ] - [ 0.0000000300000000, -0.0000000200000000, -0.0001076900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000349300000000 ] - [ 0.0000000000000000, 0.0000000700000000, 0.0000339800000000 ] - [ -0.0000000600000000, -0.0000000300000000, 0.0000339800000000 ] - [ 0.0000000600000000, -0.0000000300000000, 0.0000339800000000 ] - [ -0.0000002100000000, 0.0000001200000000, -0.0000304800000000 ] - [ 0.0000002100000000, 0.0000001200000000, -0.0000304800000000 ] - [ 0.0000000000000000, -0.0000002400000000, -0.0000304800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000311200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002200900000000 ] - [ 0.0000000000000000, 0.0000029700000000, 0.0002177400000000 ] - [ -0.0000025800000000, -0.0000014900000000, 0.0002177400000000 ] - [ 0.0000025800000000, -0.0000014900000000, 0.0002177400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002889500000000 ] - [ 0.0000000000000000, -0.0000576400000000, -0.0004570800000000 ] - [ 0.0000499100000000, 0.0000288200000000, -0.0004570800000000 ] - [ -0.0000499100000000, 0.0000288200000000, -0.0004570800000000 ] - [ 0.0000000000000000, -0.0000009700000000, -0.0009359400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009314900000000 ] - [ -0.0000008400000000, 0.0000004800000000, -0.0009359400000000 ] - [ 0.0000008400000000, 0.0000004800000000, -0.0009359400000000 ] - [ -0.0000007600000000, 0.0000004400000000, 0.0001892000000000 ] - [ 0.0000007600000000, 0.0000004400000000, 0.0001892000000000 ] - [ 0.0000000000000000, -0.0000008800000000, 0.0001892000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001936500000000 ] - [ 0.0000000000000000, 0.0000003000000000, -0.0005941800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005926000000000 ] - [ 0.0000002600000000, -0.0000001500000000, -0.0005941800000000 ] - [ -0.0000002600000000, -0.0000001500000000, -0.0005941800000000 ] - [ -0.0000007300000000, 0.0000004200000000, 0.0005868500000000 ] - [ 0.0000007300000000, 0.0000004200000000, 0.0005868500000000 ] - [ 0.0000000000000000, -0.0000008400000000, 0.0005868500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005874300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003698200000000 ] - [ 0.0000000000000000, -0.0000000600000000, 0.0003705600000000 ] - [ 0.0000000500000000, 0.0000000300000000, 0.0003705600000000 ] - [ -0.0000000500000000, 0.0000000300000000, 0.0003705600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005075600000000 ] - [ 0.0000000000000000, -0.0000566100000000, 0.0003407400000000 ] - [ 0.0000490300000000, 0.0000283100000000, 0.0003407400000000 ] - [ -0.0000490300000000, 0.0000283100000000, 0.0003407400000000 ] - [ 0.0000000000000000, -0.0000004000000000, -0.0005260200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005269600000000 ] - [ -0.0000003500000000, 0.0000002000000000, -0.0005260200000000 ] - [ 0.0000003500000000, 0.0000002000000000, -0.0005260200000000 ] - [ -0.0000006900000000, 0.0000004000000000, 0.0005483800000000 ] - [ 0.0000006900000000, 0.0000004000000000, 0.0005483800000000 ] - [ 0.0000000000000000, -0.0000007900000000, 0.0005483800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005480700000000 ] - [ -0.0000136300000000, 0.0000078700000000, 0.0003746800000000 ] - [ 0.0000136300000000, 0.0000078700000000, 0.0003746800000000 ] - [ 0.0000000000000000, -0.0000157400000000, 0.0003746800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000291800000000 ] - [ 0.0000000000000000, 0.0069708900000000, 0.0088082900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028078600000000 ] - [ 0.0060369700000000, -0.0034854400000000, 0.0088082900000000 ] - [ -0.0060369700000000, -0.0034854400000000, 0.0088082900000000 ] - [ 0.0000003000000000, -0.0000001700000000, 0.0006948300000000 ] - [ -0.0000003000000000, -0.0000001700000000, 0.0006948300000000 ] - [ 0.0000000000000000, 0.0000003500000000, 0.0006948300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006964600000000 ] - [ 0.0000000000000000, -0.0000008300000000, -0.0007261900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007256700000000 ] - [ -0.0000007200000000, 0.0000004200000000, -0.0007261900000000 ] - [ 0.0000007200000000, 0.0000004200000000, -0.0007261900000000 ] - [ 0.0062375700000000, -0.0036012600000000, 0.0094705100000000 ] - [ -0.0062375700000000, -0.0036012600000000, 0.0094705100000000 ] - [ 0.0000000000000000, 0.0072025300000000, 0.0094705100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033742100000000 ] - [ 0.0000000000000000, -0.0000150300000000, -0.0002624400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006023800000000 ] - [ -0.0000130200000000, 0.0000075200000000, -0.0002624400000000 ] - [ 0.0000130200000000, 0.0000075200000000, -0.0002624400000000 ] - [ 0.0000000000000000, -0.0000000100000000, -0.0008596300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008581600000000 ] - [ -0.0000000100000000, 0.0000000100000000, -0.0008596300000000 ] - [ 0.0000000100000000, 0.0000000100000000, -0.0008596300000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002099100000000 ] - [ 0.0000000000000000, -0.0000029300000000, -0.0002072300000000 ] - [ 0.0000025400000000, 0.0000014700000000, -0.0002072300000000 ] - [ -0.0000025400000000, 0.0000014700000000, -0.0002072300000000 ] - [ 0.0000000000000000, 0.0002733000000000, -0.0002257000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000871300000000 ] - [ 0.0002366800000000, -0.0001366500000000, -0.0002257000000000 ] - [ -0.0002366800000000, -0.0001366500000000, -0.0002257000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0326770700000000 ] - [ 0.0000000000000000, -0.0047105600000000, 0.0091981100000000 ] - [ 0.0040794700000000, 0.0023552800000000, 0.0091981100000000 ] - [ -0.0040794700000000, 0.0023552800000000, 0.0091981100000000 ] - [ 0.0002380000000000, -0.0001374100000000, -0.0004799800000000 ] - [ -0.0002380000000000, -0.0001374100000000, -0.0004799800000000 ] - [ 0.0000000000000000, 0.0002748200000000, -0.0004799800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003396900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007361100000000 ] - [ 0.0000000000000000, -0.0000001000000000, -0.0007346800000000 ] - [ 0.0000000800000000, 0.0000000500000000, -0.0007346800000000 ] - [ -0.0000000800000000, 0.0000000500000000, -0.0007346800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005996600000000 ] - [ 0.0000000000000000, -0.0000001000000000, -0.0005975700000000 ] - [ 0.0000000900000000, 0.0000000500000000, -0.0005975700000000 ] - [ -0.0000000900000000, 0.0000000500000000, -0.0005975700000000 ] - [ 0.0000002600000000, -0.0000001500000000, -0.0006605600000000 ] - [ -0.0000002600000000, -0.0000001500000000, -0.0006605600000000 ] - [ 0.0000000000000000, 0.0000003000000000, -0.0006605600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006599900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004137400000000 ] - [ 0.0000000000000000, -0.0000030200000000, -0.0004124400000000 ] - [ 0.0000026200000000, 0.0000015100000000, -0.0004124400000000 ] - [ -0.0000026200000000, 0.0000015100000000, -0.0004124400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002211900000000 ] - [ 0.0000000000000000, 0.0000567500000000, -0.0000532600000000 ] - [ -0.0000491500000000, -0.0000283800000000, -0.0000532600000000 ] - [ 0.0000491500000000, -0.0000283800000000, -0.0000532600000000 ] - [ 0.0000000000000000, 0.0000009400000000, -0.0006196600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006238700000000 ] - [ 0.0000008100000000, -0.0000004700000000, -0.0006196600000000 ] - [ -0.0000008100000000, -0.0000004700000000, -0.0006196600000000 ] - [ 0.0000007800000000, -0.0000004500000000, 0.0005063200000000 ] - [ -0.0000007800000000, -0.0000004500000000, 0.0005063200000000 ] - [ 0.0000000000000000, 0.0000009000000000, 0.0005063200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005020300000000 ] - [ 0.0000000000000000, -0.0000002700000000, -0.0002781000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002797700000000 ] - [ -0.0000002300000000, 0.0000001300000000, -0.0002781000000000 ] - [ 0.0000002300000000, 0.0000001300000000, -0.0002781000000000 ] - [ 0.0000007200000000, -0.0000004200000000, 0.0009056100000000 ] - [ -0.0000007200000000, -0.0000004200000000, 0.0009056100000000 ] - [ 0.0000000000000000, 0.0000008300000000, 0.0009056100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009050200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006866500000000 ] - [ 0.0000000000000000, 0.0000000600000000, 0.0006860200000000 ] - [ -0.0000000500000000, -0.0000000300000000, 0.0006860200000000 ] - [ 0.0000000500000000, -0.0000000300000000, 0.0006860200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005828400000000 ] - [ 0.0000000000000000, 0.0000574700000000, 0.0007497100000000 ] - [ -0.0000497700000000, -0.0000287300000000, 0.0007497100000000 ] - [ 0.0000497700000000, -0.0000287300000000, 0.0007497100000000 ] - [ 0.0000000000000000, 0.0000007200000000, -0.0002120700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002119500000000 ] - [ 0.0000006200000000, -0.0000003600000000, -0.0002120700000000 ] - [ -0.0000006200000000, -0.0000003600000000, -0.0002120700000000 ] - [ 0.0000003600000000, -0.0000002100000000, 0.0008656200000000 ] - [ -0.0000003600000000, -0.0000002100000000, 0.0008656200000000 ] - [ 0.0000000000000000, 0.0000004100000000, 0.0008656200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008663100000000 ] - [ 0.0000133000000000, -0.0000076800000000, 0.0003982100000000 ] - [ -0.0000133000000000, -0.0000076800000000, 0.0003982100000000 ] - [ 0.0000000000000000, 0.0000153600000000, 0.0003982100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007389200000000 ] - [ 0.0000000000000000, -0.0071983100000000, -0.0091739500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030817000000000 ] - [ -0.0062339200000000, 0.0035991600000000, -0.0091739500000000 ] - [ 0.0062339200000000, 0.0035991600000000, -0.0091739500000000 ] - [ -0.0000003000000000, 0.0000001700000000, 0.0010131700000000 ] - [ 0.0000003000000000, 0.0000001700000000, 0.0010131700000000 ] - [ 0.0000000000000000, -0.0000003400000000, 0.0010131700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010115400000000 ] - [ 0.0000000000000000, 0.0000008200000000, -0.0004117100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004123200000000 ] - [ 0.0000007100000000, -0.0000004100000000, -0.0004117100000000 ] - [ -0.0000007100000000, -0.0000004100000000, -0.0004117100000000 ] - [ -0.0060402700000000, 0.0034873500000000, -0.0085165000000000 ] - [ 0.0060402700000000, 0.0034873500000000, -0.0085165000000000 ] - [ 0.0000000000000000, -0.0069747000000000, -0.0085165000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025119400000000 ] - [ 0.0000000000000000, 0.0000153900000000, -0.0002413200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001033600000000 ] - [ 0.0000133300000000, -0.0000077000000000, -0.0002413200000000 ] - [ -0.0000133300000000, -0.0000077000000000, -0.0002413200000000 ] - [ 0.0000000000000000, 0.0000000300000000, -0.0005443100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005459000000000 ] - [ 0.0000000300000000, -0.0000000200000000, -0.0005443100000000 ] - [ -0.0000000300000000, -0.0000000200000000, -0.0005443100000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000006500000000, -0.0000002000000000, 0.0001057100000000 ] - [ -0.0000006500000000, 0.0000000200000000, 0.0001060600000000 ] - [ -0.0000008400000000, -0.0000000600000000, 0.0001058700000000 ] - [ -0.0000008700000000, -0.0000000600000000, 0.0001058800000000 ] - [ -0.0000011300000000, 0.0000042000000000, 0.0001261800000000 ] - [ -0.0000011600000000, -0.0000041700000000, 0.0001343000000000 ] - [ 0.0000057200000000, -0.0000000100000000, 0.0001302200000000 ] - [ -0.0000083900000000, -0.0000000100000000, 0.0001302300000000 ] - [ 0.0000253800000000, -0.0001750500000000, -0.0002558800000000 ] - [ 0.0000257400000000, 0.0001748000000000, 0.0002184200000000 ] - [ -0.0002774300000000, -0.0000001500000000, -0.0000184000000000 ] - [ 0.0002580300000000, 0.0000000400000000, -0.0000186000000000 ] - [ -0.0336837200000000, 0.0000006200000000, -0.0001006100000000 ] - [ 0.0114413000000000, 0.0000009400000000, -0.0001189200000000 ] - [ 0.0003800900000000, -0.0063854600000000, 0.0039662500000000 ] - [ 0.0003798400000000, 0.0063845500000000, -0.0042028400000000 ] - [ -0.0000005900000000, -0.0000001800000000, -0.0004212600000000 ] - [ -0.0000005800000000, 0.0000001600000000, -0.0004214000000000 ] - [ -0.0000008700000000, 0.0000000000000000, -0.0004213400000000 ] - [ -0.0000007000000000, 0.0000000200000000, -0.0004213400000000 ] - [ -0.0000011100000000, -0.0000010200000000, -0.0002824800000000 ] - [ -0.0000011000000000, 0.0000009500000000, -0.0002823900000000 ] - [ -0.0000028200000000, -0.0000000400000000, -0.0002824400000000 ] - [ -0.0000012600000000, -0.0000000400000000, -0.0002824400000000 ] - [ -0.0000071500000000, 0.0000000000000000, -0.0003449000000000 ] - [ 0.0000075000000000, 0.0000000100000000, -0.0003448600000000 ] - [ -0.0000006700000000, -0.0000046900000000, -0.0003422200000000 ] - [ -0.0000006400000000, 0.0000047300000000, -0.0003474700000000 ] - [ 0.0000249000000000, -0.0001756600000000, -0.0001603500000000 ] - [ 0.0000266200000000, 0.0001753700000000, -0.0000342800000000 ] - [ -0.0002782500000000, -0.0000004900000000, -0.0000977700000000 ] - [ 0.0002586100000000, 0.0000005400000000, -0.0000971000000000 ] - [ -0.0000000500000000, -0.0000017500000000, -0.0002551200000000 ] - [ -0.0000000600000000, 0.0000017200000000, -0.0002527800000000 ] - [ -0.0000030600000000, -0.0000000100000000, -0.0002539500000000 ] - [ 0.0000031000000000, -0.0000000200000000, -0.0002539800000000 ] - [ -0.0000009300000000, 0.0000000100000000, -0.0007769600000000 ] - [ -0.0000009400000000, 0.0000000900000000, -0.0007767300000000 ] - [ -0.0000003000000000, 0.0000000700000000, -0.0007768500000000 ] - [ -0.0000008700000000, 0.0000000600000000, -0.0007768400000000 ] - [ 0.0000065600000000, -0.0000000800000000, 0.0003462300000000 ] - [ 0.0000055500000000, -0.0000003800000000, 0.0003467300000000 ] - [ -0.0000216900000000, -0.0000160400000000, 0.0001872300000000 ] - [ -0.0000222400000000, 0.0000157300000000, 0.0005055300000000 ] - [ 0.0000006900000000, 0.0000008800000000, -0.0004302400000000 ] - [ 0.0000003900000000, -0.0000010000000000, -0.0004405000000000 ] - [ -0.0000020200000000, -0.0000001500000000, -0.0004356800000000 ] - [ -0.0000008100000000, -0.0000005900000000, -0.0004354700000000 ] - [ -0.0000001500000000, -0.0000000100000000, 0.0007447800000000 ] - [ -0.0000005600000000, -0.0000000100000000, 0.0007447900000000 ] - [ -0.0000014600000000, -0.0000005300000000, 0.0007446800000000 ] - [ -0.0000014600000000, 0.0000005000000000, 0.0007449000000000 ] - [ -0.0000008300000000, 0.0000009800000000, 0.0005309900000000 ] - [ -0.0000008200000000, -0.0000010500000000, 0.0005226000000000 ] - [ 0.0000009400000000, -0.0000000400000000, 0.0005267900000000 ] - [ -0.0000023700000000, -0.0000000400000000, 0.0005268000000000 ] - [ 0.0057211300000000, -0.0031492600000000, -0.0072495100000000 ] - [ 0.0059709000000000, 0.0033368500000000, 0.0086129700000000 ] - [ 0.0002298500000000, 0.0000261200000000, 0.0005199500000000 ] - [ -0.0009383600000000, 0.0000031000000000, 0.0005440600000000 ] - [ 0.0000037800000000, 0.0000311200000000, -0.0003331300000000 ] - [ 0.0000036600000000, -0.0000305300000000, -0.0004045300000000 ] - [ -0.0001465900000000, 0.0000001600000000, -0.0003678100000000 ] - [ -0.0000496700000000, 0.0000000200000000, -0.0003696400000000 ] - [ -0.0000002300000000, -0.0000001200000000, 0.0007058700000000 ] - [ -0.0000005100000000, -0.0000001200000000, 0.0007058600000000 ] - [ -0.0000008200000000, -0.0000003000000000, 0.0007060300000000 ] - [ -0.0000008200000000, 0.0000000600000000, 0.0007057300000000 ] - [ 0.0000008600000000, 0.0000001100000000, 0.0003847600000000 ] - [ -0.0000020000000000, 0.0000001000000000, 0.0003847400000000 ] - [ -0.0000009400000000, 0.0000007200000000, 0.0003736600000000 ] - [ -0.0000009500000000, -0.0000005000000000, 0.0003958500000000 ] - [ -0.0000046900000000, 0.0000978300000000, -0.0001422200000000 ] - [ -0.0000044800000000, -0.0000971600000000, -0.0001359900000000 ] - [ 0.0002023800000000, 0.0000002600000000, -0.0001392500000000 ] - [ -0.0001734500000000, 0.0000003600000000, -0.0001389200000000 ] - [ -0.0000003300000000, -0.0000000800000000, 0.0008528800000000 ] - [ -0.0000004700000000, -0.0000000700000000, 0.0008529000000000 ] - [ 0.0000004200000000, 0.0000004400000000, 0.0008528900000000 ] - [ 0.0000004200000000, -0.0000006000000000, 0.0008529000000000 ] - [ -0.0000007800000000, 0.0000000200000000, -0.0005678100000000 ] - [ -0.0000007800000000, 0.0000002700000000, -0.0005684100000000 ] - [ -0.0000008900000000, 0.0000001500000000, -0.0005681000000000 ] - [ -0.0000005700000000, 0.0000001500000000, -0.0005681200000000 ] - [ -0.0000292500000000, -0.0000004000000000, 0.0004314400000000 ] - [ -0.0000830900000000, -0.0000002500000000, 0.0004312000000000 ] - [ 0.0000172600000000, 0.0000580700000000, 0.0006832600000000 ] - [ 0.0000175100000000, -0.0000579800000000, 0.0001797500000000 ] - [ 0.0056138500000000, 0.0030956300000000, 0.0075193000000000 ] - [ 0.0058634900000000, -0.0032834000000000, -0.0082960700000000 ] - [ -0.0009368300000000, -0.0000032600000000, -0.0002510900000000 ] - [ 0.0002152400000000, -0.0000260500000000, -0.0002269300000000 ] - [ -0.0000010300000000, -0.0000000500000000, -0.0007020300000000 ] - [ -0.0000010200000000, 0.0000002900000000, -0.0007006000000000 ] - [ -0.0000012200000000, 0.0000001100000000, -0.0007013200000000 ] - [ -0.0000007400000000, 0.0000001200000000, -0.0007013200000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000000400000000, 0.0000000300000000, 0.0004202600000000 ] - [ 0.0000000400000000, 0.0000000300000000, 0.0004202600000000 ] - [ 0.0000000000000000, -0.0000000500000000, 0.0004202600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004197200000000 ] - [ -0.0000040700000000, -0.0000023500000000, 0.0004463700000000 ] - [ 0.0000040700000000, -0.0000023500000000, 0.0004463700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004495100000000 ] - [ 0.0000000000000000, 0.0000047000000000, 0.0004463700000000 ] - [ 0.0000617800000000, -0.0000356700000000, 0.0003424800000000 ] - [ -0.0000617800000000, -0.0000356700000000, 0.0003424800000000 ] - [ 0.0000000000000000, 0.0000713400000000, 0.0003424800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002038600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0329811200000000 ] - [ 0.0000000000000000, -0.0047161300000000, -0.0093279900000000 ] - [ 0.0040842800000000, 0.0023580600000000, -0.0093279900000000 ] - [ -0.0040842800000000, 0.0023580600000000, -0.0093279900000000 ] - [ 0.0000002100000000, -0.0000001200000000, -0.0001082300000000 ] - [ -0.0000002100000000, -0.0000001200000000, -0.0001082300000000 ] - [ 0.0000000000000000, 0.0000002500000000, -0.0001082300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001089800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000328600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000328600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000328600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000317400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000320500000000 ] - [ 0.0000000000000000, -0.0000029500000000, -0.0000327300000000 ] - [ 0.0000025600000000, 0.0000014800000000, -0.0000327300000000 ] - [ -0.0000025600000000, 0.0000014800000000, -0.0000327300000000 ] - [ 0.0002361700000000, -0.0001363600000000, 0.0002611100000000 ] - [ -0.0002361700000000, -0.0001363600000000, 0.0002611100000000 ] - [ 0.0000000000000000, 0.0002727100000000, 0.0002611100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001229800000000 ] - [ 0.0000012600000000, -0.0000007200000000, -0.0004097100000000 ] - [ -0.0000012600000000, -0.0000007200000000, -0.0004097100000000 ] - [ 0.0000000000000000, 0.0000014500000000, -0.0004097100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004109000000000 ] - [ -0.0000000900000000, -0.0000000500000000, -0.0009346000000000 ] - [ 0.0000000900000000, -0.0000000500000000, -0.0009346000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009332900000000 ] - [ 0.0000000000000000, 0.0000001000000000, -0.0009346000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003130400000000 ] - [ 0.0000000000000000, 0.0000565400000000, 0.0001463500000000 ] - [ -0.0000489700000000, -0.0000282700000000, 0.0001463500000000 ] - [ 0.0000489700000000, -0.0000282700000000, 0.0001463500000000 ] - [ -0.0000003200000000, -0.0000001900000000, -0.0005916500000000 ] - [ 0.0000003200000000, -0.0000001900000000, -0.0005916500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005926500000000 ] - [ 0.0000000000000000, 0.0000003700000000, -0.0005916500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005888300000000 ] - [ 0.0000000000000000, 0.0000000700000000, 0.0005897400000000 ] - [ -0.0000000600000000, -0.0000000400000000, 0.0005897400000000 ] - [ 0.0000000600000000, -0.0000000400000000, 0.0005897400000000 ] - [ 0.0000007300000000, -0.0000004200000000, 0.0003727300000000 ] - [ -0.0000007300000000, -0.0000004200000000, 0.0003727300000000 ] - [ 0.0000000000000000, 0.0000008400000000, 0.0003727300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003770600000000 ] - [ -0.0062620300000000, 0.0036153900000000, 0.0095894100000000 ] - [ 0.0062620300000000, 0.0036153900000000, 0.0095894100000000 ] - [ 0.0000000000000000, -0.0072307700000000, 0.0095894100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034684000000000 ] - [ -0.0000131800000000, -0.0000076100000000, -0.0003790400000000 ] - [ 0.0000131800000000, -0.0000076100000000, -0.0003790400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007189800000000 ] - [ 0.0000000000000000, 0.0000152200000000, -0.0003790400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005504500000000 ] - [ 0.0000000000000000, 0.0000000900000000, 0.0005517200000000 ] - [ -0.0000000800000000, -0.0000000500000000, 0.0005517200000000 ] - [ 0.0000000800000000, -0.0000000500000000, 0.0005517200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002343200000000 ] - [ 0.0000000000000000, 0.0000007200000000, 0.0002279100000000 ] - [ -0.0000006300000000, -0.0000003600000000, 0.0002279100000000 ] - [ 0.0000006300000000, -0.0000003600000000, 0.0002279100000000 ] - [ -0.0000696900000000, -0.0000402300000000, -0.0002837400000000 ] - [ 0.0000696900000000, -0.0000402300000000, -0.0002837400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003330200000000 ] - [ 0.0000000000000000, 0.0000804700000000, -0.0002837400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006974200000000 ] - [ 0.0000000000000000, -0.0000000400000000, 0.0006987100000000 ] - [ 0.0000000300000000, 0.0000000200000000, 0.0006987100000000 ] - [ -0.0000000300000000, 0.0000000200000000, 0.0006987100000000 ] - [ 0.0000002500000000, 0.0000001500000000, -0.0007255800000000 ] - [ -0.0000002500000000, 0.0000001500000000, -0.0007255800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007240600000000 ] - [ 0.0000000000000000, -0.0000002900000000, -0.0007255800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002677500000000 ] - [ 0.0000000000000000, 0.0000125200000000, 0.0003841200000000 ] - [ -0.0000108500000000, -0.0000062600000000, 0.0003841200000000 ] - [ 0.0000108500000000, -0.0000062600000000, 0.0003841200000000 ] - [ 0.0059504500000000, 0.0034354900000000, 0.0086885900000000 ] - [ -0.0059504500000000, 0.0034354900000000, 0.0086885900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026665600000000 ] - [ 0.0000000000000000, -0.0068709900000000, 0.0086885900000000 ] - [ -0.0000007200000000, -0.0000004200000000, -0.0008585800000000 ] - [ 0.0000007200000000, -0.0000004200000000, -0.0008585800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008580900000000 ] - [ 0.0000000000000000, 0.0000008400000000, -0.0008585800000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000900000000, -0.0000000500000000, -0.0002066100000000 ] - [ -0.0000000900000000, -0.0000000500000000, -0.0002066100000000 ] - [ 0.0000000000000000, 0.0000001100000000, -0.0002066100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002060400000000 ] - [ 0.0000040700000000, 0.0000023500000000, -0.0001817300000000 ] - [ -0.0000040700000000, 0.0000023500000000, -0.0001817300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001849800000000 ] - [ 0.0000000000000000, -0.0000047000000000, -0.0001817300000000 ] - [ -0.0000638400000000, 0.0000368600000000, -0.0003789900000000 ] - [ 0.0000638400000000, 0.0000368600000000, -0.0003789900000000 ] - [ 0.0000000000000000, -0.0000737100000000, -0.0003789900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002391600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0326762200000000 ] - [ 0.0000000000000000, 0.0047162900000000, 0.0090928900000000 ] - [ -0.0040844300000000, -0.0023581500000000, 0.0090928900000000 ] - [ 0.0040844300000000, -0.0023581500000000, 0.0090928900000000 ] - [ -0.0000002400000000, 0.0000001400000000, -0.0007339200000000 ] - [ 0.0000002400000000, 0.0000001400000000, -0.0007339200000000 ] - [ 0.0000000000000000, -0.0000002700000000, -0.0007339200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007332900000000 ] - [ -0.0000000100000000, 0.0000000000000000, -0.0005963000000000 ] - [ 0.0000000100000000, 0.0000000000000000, -0.0005963000000000 ] - [ 0.0000000000000000, -0.0000000100000000, -0.0005963000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005951900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006603800000000 ] - [ 0.0000000000000000, 0.0000030100000000, -0.0006582900000000 ] - [ -0.0000026100000000, -0.0000015100000000, -0.0006582900000000 ] - [ 0.0000026100000000, -0.0000015100000000, -0.0006582900000000 ] - [ -0.0002379900000000, 0.0001374000000000, -0.0004565800000000 ] - [ 0.0002379900000000, 0.0001374000000000, -0.0004565800000000 ] - [ 0.0000000000000000, -0.0002748100000000, -0.0004565800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003163200000000 ] - [ -0.0000012700000000, 0.0000007400000000, -0.0000984700000000 ] - [ 0.0000012700000000, 0.0000007400000000, -0.0000984700000000 ] - [ 0.0000000000000000, -0.0000014700000000, -0.0000984700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000974200000000 ] - [ 0.0000001100000000, 0.0000000600000000, -0.0006189300000000 ] - [ -0.0000001100000000, 0.0000000600000000, -0.0006189300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006203900000000 ] - [ 0.0000000000000000, -0.0000001300000000, -0.0006189300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003813600000000 ] - [ 0.0000000000000000, -0.0000574400000000, 0.0005486900000000 ] - [ 0.0000497500000000, 0.0000287200000000, 0.0005486900000000 ] - [ -0.0000497500000000, 0.0000287200000000, 0.0005486900000000 ] - [ 0.0000006700000000, 0.0000003800000000, -0.0002780700000000 ] - [ -0.0000006700000000, 0.0000003800000000, -0.0002780700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002777600000000 ] - [ 0.0000000000000000, -0.0000007700000000, -0.0002780700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009028300000000 ] - [ 0.0000000000000000, -0.0000000700000000, 0.0009020900000000 ] - [ 0.0000000600000000, 0.0000000300000000, 0.0009020900000000 ] - [ -0.0000000600000000, 0.0000000300000000, 0.0009020900000000 ] - [ -0.0000007700000000, 0.0000004400000000, 0.0006833000000000 ] - [ 0.0000007700000000, 0.0000004400000000, 0.0006833000000000 ] - [ 0.0000000000000000, -0.0000008800000000, 0.0006833000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006788500000000 ] - [ 0.0060648900000000, -0.0035015600000000, -0.0084121900000000 ] - [ -0.0060648900000000, -0.0035015600000000, -0.0084121900000000 ] - [ 0.0000000000000000, 0.0070031300000000, -0.0084121900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023829400000000 ] - [ 0.0000135800000000, 0.0000078400000000, -0.0003588100000000 ] - [ -0.0000135800000000, 0.0000078400000000, -0.0003588100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000139700000000 ] - [ 0.0000000000000000, -0.0000156800000000, -0.0003588100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008638900000000 ] - [ 0.0000000000000000, -0.0000000400000000, 0.0008623200000000 ] - [ 0.0000000400000000, 0.0000000200000000, 0.0008623200000000 ] - [ -0.0000000400000000, 0.0000000200000000, 0.0008623200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005367400000000 ] - [ 0.0000000000000000, -0.0000007300000000, 0.0005433300000000 ] - [ 0.0000006300000000, 0.0000003700000000, 0.0005433300000000 ] - [ -0.0000006300000000, 0.0000003700000000, 0.0005433300000000 ] - [ 0.0000702300000000, 0.0000405500000000, 0.0000075800000000 ] - [ -0.0000702300000000, 0.0000405500000000, 0.0000075800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000553700000000 ] - [ 0.0000000000000000, -0.0000810900000000, 0.0000075800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010101800000000 ] - [ 0.0000000000000000, 0.0000000200000000, 0.0010088700000000 ] - [ -0.0000000200000000, -0.0000000100000000, 0.0010088700000000 ] - [ 0.0000000200000000, -0.0000000100000000, 0.0010088700000000 ] - [ -0.0000002500000000, -0.0000001400000000, -0.0004104200000000 ] - [ 0.0000002500000000, -0.0000001400000000, -0.0004104200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004119900000000 ] - [ 0.0000000000000000, 0.0000002900000000, -0.0004104200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005971100000000 ] - [ 0.0000000000000000, -0.0000119800000000, 0.0004779700000000 ] - [ 0.0000103800000000, 0.0000059900000000, 0.0004779700000000 ] - [ -0.0000103800000000, 0.0000059900000000, 0.0004779700000000 ] - [ -0.0061474900000000, -0.0035492500000000, -0.0092786400000000 ] - [ 0.0061474900000000, -0.0035492500000000, -0.0092786400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031650600000000 ] - [ 0.0000000000000000, 0.0070985100000000, -0.0092786400000000 ] - [ 0.0000007100000000, 0.0000004100000000, -0.0005436000000000 ] - [ -0.0000007100000000, 0.0000004100000000, -0.0005436000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005441300000000 ] - [ 0.0000000000000000, -0.0000008200000000, -0.0005436000000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000100700000000, -0.0000000300000000, 0.0001057800000000 ] - [ -0.0000084700000000, -0.0000000900000000, 0.0001057900000000 ] - [ -0.0000000700000000, 0.0000047900000000, 0.0001098000000000 ] - [ -0.0000000600000000, -0.0000049100000000, 0.0001017600000000 ] - [ -0.0000000900000000, 0.0000000100000000, 0.0001301200000000 ] - [ -0.0000008100000000, 0.0000000100000000, 0.0001301000000000 ] - [ -0.0000002500000000, 0.0000000900000000, 0.0001300900000000 ] - [ -0.0000002500000000, -0.0000001000000000, 0.0001301200000000 ] - [ -0.0000006700000000, -0.0000000600000000, -0.0000186100000000 ] - [ -0.0000011500000000, -0.0000000500000000, -0.0000186300000000 ] - [ -0.0000003500000000, 0.0000004200000000, -0.0000186400000000 ] - [ -0.0000003500000000, -0.0000005000000000, -0.0000186100000000 ] - [ -0.0000003100000000, -0.0000000900000000, -0.0001182700000000 ] - [ -0.0000003000000000, 0.0000002200000000, -0.0001187600000000 ] - [ -0.0000005800000000, 0.0000000400000000, -0.0001185200000000 ] - [ -0.0000004600000000, 0.0000000500000000, -0.0001185100000000 ] - [ -0.0337314700000000, 0.0000008900000000, -0.0003929500000000 ] - [ 0.0114432000000000, 0.0000009600000000, -0.0004218500000000 ] - [ 0.0003800100000000, -0.0063866300000000, -0.0045083600000000 ] - [ 0.0003798400000000, 0.0063856400000000, 0.0036657100000000 ] - [ -0.0000846700000000, 0.0000004200000000, -0.0002821400000000 ] - [ 0.0000848100000000, -0.0000005300000000, -0.0002829900000000 ] - [ 0.0000485000000000, -0.0000214300000000, -0.0004506300000000 ] - [ 0.0000469700000000, 0.0000214100000000, -0.0001140700000000 ] - [ 0.0000262700000000, -0.0001755500000000, -0.0001077200000000 ] - [ 0.0000259800000000, 0.0001757200000000, -0.0005825100000000 ] - [ -0.0002780800000000, 0.0000001100000000, -0.0003447800000000 ] - [ 0.0002591200000000, -0.0000000600000000, -0.0003449800000000 ] - [ -0.0000067400000000, -0.0000000300000000, -0.0000975000000000 ] - [ 0.0000080800000000, -0.0000000500000000, -0.0000975500000000 ] - [ -0.0000000600000000, -0.0000047400000000, -0.0001001800000000 ] - [ -0.0000000800000000, 0.0000046800000000, -0.0000949000000000 ] - [ 0.0000004000000000, -0.0000000100000000, -0.0002540300000000 ] - [ 0.0000001300000000, -0.0000000200000000, -0.0002540200000000 ] - [ -0.0000002100000000, -0.0000002000000000, -0.0002537300000000 ] - [ -0.0000002100000000, 0.0000001800000000, -0.0002543400000000 ] - [ -0.0000003400000000, 0.0000000500000000, -0.0007769200000000 ] - [ -0.0000029300000000, 0.0000000500000000, -0.0007769500000000 ] - [ 0.0000004000000000, -0.0000000600000000, -0.0007868200000000 ] - [ 0.0000003600000000, 0.0000004600000000, -0.0007666700000000 ] - [ 0.0000006900000000, -0.0000017600000000, 0.0003549400000000 ] - [ 0.0000010100000000, 0.0000015600000000, 0.0003370500000000 ] - [ -0.0000017600000000, -0.0000006300000000, 0.0003460900000000 ] - [ -0.0000001600000000, -0.0000001800000000, 0.0003462900000000 ] - [ -0.0001744800000000, -0.0000001900000000, -0.0004355600000000 ] - [ 0.0002056700000000, -0.0000000800000000, -0.0004359000000000 ] - [ -0.0000037400000000, -0.0000988100000000, -0.0004387900000000 ] - [ -0.0000035200000000, 0.0000984700000000, -0.0004327400000000 ] - [ 0.0059622200000000, -0.0033330400000000, 0.0088210000000000 ] - [ 0.0057123800000000, 0.0031455100000000, -0.0070548700000000 ] - [ 0.0002276900000000, -0.0000260800000000, 0.0007212600000000 ] - [ -0.0009396500000000, -0.0000030800000000, 0.0007454100000000 ] - [ -0.0000301900000000, 0.0000001100000000, 0.0005270600000000 ] - [ -0.0000844500000000, -0.0000000800000000, 0.0005268100000000 ] - [ 0.0000179300000000, 0.0000586400000000, 0.0002729200000000 ] - [ 0.0000176600000000, -0.0000593800000000, 0.0007813100000000 ] - [ -0.0000002400000000, 0.0000000200000000, 0.0005433000000000 ] - [ -0.0000004800000000, 0.0000000200000000, 0.0005432800000000 ] - [ -0.0000008100000000, -0.0000001700000000, 0.0005431500000000 ] - [ -0.0000008200000000, 0.0000002100000000, 0.0005434400000000 ] - [ 0.0000023600000000, 0.0000001700000000, -0.0003685900000000 ] - [ -0.0000029200000000, 0.0000001800000000, -0.0003685900000000 ] - [ -0.0000003100000000, 0.0000017100000000, -0.0003717800000000 ] - [ -0.0000003000000000, -0.0000013600000000, -0.0003654000000000 ] - [ 0.0000001700000000, -0.0000016500000000, 0.0007071500000000 ] - [ 0.0000001700000000, 0.0000014200000000, 0.0007043200000000 ] - [ -0.0000024800000000, -0.0000001200000000, 0.0007057300000000 ] - [ 0.0000029300000000, -0.0000001200000000, 0.0007057600000000 ] - [ -0.0000004900000000, 0.0000002500000000, 0.0003845700000000 ] - [ -0.0000004900000000, -0.0000000500000000, 0.0003846900000000 ] - [ -0.0000002300000000, 0.0000001100000000, 0.0003846300000000 ] - [ -0.0000000500000000, 0.0000001000000000, 0.0003846300000000 ] - [ -0.0000002100000000, 0.0000003100000000, -0.0001390300000000 ] - [ -0.0000006800000000, 0.0000003100000000, -0.0001390200000000 ] - [ -0.0000004900000000, 0.0000004800000000, -0.0001397500000000 ] - [ -0.0000005000000000, 0.0000001500000000, -0.0001383200000000 ] - [ -0.0000122700000000, 0.0000882700000000, 0.0009131500000000 ] - [ -0.0000116200000000, -0.0000884400000000, 0.0007924200000000 ] - [ 0.0001410900000000, -0.0000002700000000, 0.0008528600000000 ] - [ -0.0001096500000000, 0.0000001300000000, 0.0008526200000000 ] - [ 0.0002133600000000, 0.0000261000000000, -0.0005449100000000 ] - [ -0.0009390800000000, 0.0000033100000000, -0.0005690700000000 ] - [ 0.0056206800000000, -0.0031005600000000, 0.0072098800000000 ] - [ 0.0058704300000000, 0.0032885900000000, -0.0086227400000000 ] - [ -0.0000002500000000, -0.0000001200000000, 0.0004301200000000 ] - [ -0.0000002400000000, -0.0000004500000000, 0.0004315100000000 ] - [ 0.0000000400000000, -0.0000002900000000, 0.0004308200000000 ] - [ -0.0000004100000000, -0.0000002900000000, 0.0004308000000000 ] - [ 0.0000001300000000, -0.0000001000000000, -0.0002503000000000 ] - [ 0.0000007800000000, -0.0000001000000000, -0.0002503200000000 ] - [ 0.0000001000000000, -0.0000000800000000, -0.0002504300000000 ] - [ 0.0000000900000000, -0.0000001200000000, -0.0002501700000000 ] - [ -0.0000237200000000, 0.0000002900000000, -0.0007025400000000 ] - [ -0.0002362300000000, 0.0000002900000000, -0.0007008000000000 ] - [ -0.0000048800000000, -0.0000109400000000, -0.0006553300000000 ] - [ -0.0000049500000000, 0.0000107800000000, -0.0007481200000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0004304600000000 ] - [ 0.0000000000000000, -0.0000045800000000, 0.0004185900000000 ] - [ 0.0000039600000000, 0.0000022900000000, 0.0004185900000000 ] - [ -0.0000039600000000, 0.0000022900000000, 0.0004185900000000 ] - [ 0.0000000000000000, 0.0000001100000000, 0.0004452500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004448100000000 ] - [ 0.0000000900000000, -0.0000000500000000, 0.0004452500000000 ] - [ -0.0000000900000000, -0.0000000500000000, 0.0004452500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002949100000000 ] - [ 0.0000000000000000, 0.0000000600000000, 0.0002945300000000 ] - [ -0.0000000500000000, -0.0000000300000000, 0.0002945300000000 ] - [ 0.0000000500000000, -0.0000000300000000, 0.0002945300000000 ] - [ 0.0000001700000000, -0.0000001000000000, 0.0001918300000000 ] - [ -0.0000001700000000, -0.0000001000000000, 0.0001918300000000 ] - [ 0.0000000000000000, 0.0000002000000000, 0.0001918300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001912100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0331807400000000 ] - [ 0.0000000000000000, 0.0047191500000000, -0.0096300300000000 ] - [ -0.0040869000000000, -0.0023595700000000, -0.0096300300000000 ] - [ 0.0040869000000000, -0.0023595700000000, -0.0096300300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001017900000000 ] - [ 0.0000000000000000, 0.0001922400000000, 0.0000989800000000 ] - [ -0.0001664800000000, -0.0000961200000000, 0.0000989800000000 ] - [ 0.0001664800000000, -0.0000961200000000, 0.0000989800000000 ] - [ -0.0000619700000000, 0.0000357800000000, 0.0000109700000000 ] - [ 0.0000619700000000, 0.0000357800000000, 0.0000109700000000 ] - [ 0.0000000000000000, -0.0000715600000000, 0.0000109700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001278000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002167400000000 ] - [ 0.0000000000000000, 0.0000028900000000, 0.0002145000000000 ] - [ -0.0000025100000000, -0.0000014500000000, 0.0002145000000000 ] - [ 0.0000025100000000, -0.0000014500000000, 0.0002145000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004147200000000 ] - [ 0.0000000000000000, 0.0000000100000000, -0.0004130100000000 ] - [ -0.0000000100000000, 0.0000000000000000, -0.0004130100000000 ] - [ 0.0000000100000000, 0.0000000000000000, -0.0004130100000000 ] - [ 0.0000000000000000, 0.0000012100000000, -0.0009399800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009307800000000 ] - [ 0.0000010400000000, -0.0000006000000000, -0.0009399800000000 ] - [ -0.0000010400000000, -0.0000006000000000, -0.0009399800000000 ] - [ -0.0000008300000000, 0.0000004800000000, 0.0001953300000000 ] - [ 0.0000008300000000, 0.0000004800000000, 0.0001953300000000 ] - [ 0.0000000000000000, -0.0000009500000000, 0.0001953300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001894900000000 ] - [ 0.0000000000000000, -0.0000815700000000, -0.0005859500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006351300000000 ] - [ -0.0000706400000000, 0.0000407800000000, -0.0005859500000000 ] - [ 0.0000706400000000, 0.0000407800000000, -0.0005859500000000 ] - [ 0.0062556400000000, -0.0036117000000000, 0.0097939600000000 ] - [ -0.0062556400000000, -0.0036117000000000, 0.0097939600000000 ] - [ 0.0000000000000000, 0.0072233900000000, 0.0097939600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036604500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003667100000000 ] - [ 0.0000000000000000, -0.0000128700000000, 0.0004831700000000 ] - [ 0.0000111400000000, 0.0000064300000000, 0.0004831700000000 ] - [ -0.0000111400000000, 0.0000064300000000, 0.0004831700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003905400000000 ] - [ 0.0000000000000000, -0.0000000300000000, 0.0003923500000000 ] - [ 0.0000000200000000, 0.0000000100000000, 0.0003923500000000 ] - [ -0.0000000200000000, 0.0000000100000000, 0.0003923500000000 ] - [ 0.0000000000000000, -0.0000001700000000, -0.0005303800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005274000000000 ] - [ -0.0000001500000000, 0.0000000800000000, -0.0005303800000000 ] - [ 0.0000001500000000, 0.0000000800000000, -0.0005303800000000 ] - [ -0.0000010700000000, 0.0000006200000000, 0.0005526800000000 ] - [ 0.0000010700000000, 0.0000006200000000, 0.0005526800000000 ] - [ 0.0000000000000000, -0.0000012300000000, 0.0005526800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005505300000000 ] - [ -0.0000000600000000, 0.0000000300000000, 0.0002295200000000 ] - [ 0.0000000600000000, 0.0000000300000000, 0.0002295200000000 ] - [ 0.0000000000000000, -0.0000000600000000, 0.0002295200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002311500000000 ] - [ 0.0000000000000000, -0.0000008300000000, -0.0002970900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002965900000000 ] - [ -0.0000007200000000, 0.0000004200000000, -0.0002970900000000 ] - [ 0.0000007200000000, 0.0000004200000000, -0.0002970900000000 ] - [ 0.0000921000000000, -0.0000531700000000, 0.0006897800000000 ] - [ -0.0000921000000000, -0.0000531700000000, 0.0006897800000000 ] - [ 0.0000000000000000, 0.0001063500000000, 0.0006897800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007138700000000 ] - [ 0.0000000000000000, 0.0068802100000000, 0.0083658500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023429400000000 ] - [ 0.0059584400000000, -0.0034401100000000, 0.0083658500000000 ] - [ -0.0059584400000000, -0.0034401100000000, 0.0083658500000000 ] - [ -0.0000007300000000, 0.0000004200000000, 0.0002766800000000 ] - [ 0.0000007300000000, 0.0000004200000000, 0.0002766800000000 ] - [ 0.0000000000000000, -0.0000008400000000, 0.0002766800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002771900000000 ] - [ 0.0000000000000000, -0.0000001200000000, -0.0004120300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004104300000000 ] - [ -0.0000001000000000, 0.0000000600000000, -0.0004120300000000 ] - [ 0.0000001000000000, 0.0000000600000000, -0.0004120300000000 ] - [ 0.0000000000000000, -0.0000015600000000, -0.0007204800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010507000000000 ] - [ -0.0000013500000000, 0.0000007800000000, -0.0007204800000000 ] - [ 0.0000013500000000, 0.0000007800000000, -0.0007204800000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002166100000000 ] - [ 0.0000000000000000, 0.0000047400000000, -0.0002051800000000 ] - [ -0.0000041100000000, -0.0000023700000000, -0.0002051800000000 ] - [ 0.0000041100000000, -0.0000023700000000, -0.0002051800000000 ] - [ 0.0000000000000000, -0.0000002500000000, -0.0001786900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001783600000000 ] - [ -0.0000002100000000, 0.0000001200000000, -0.0001786900000000 ] - [ 0.0000002100000000, 0.0000001200000000, -0.0001786900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003319600000000 ] - [ 0.0000000000000000, -0.0000000800000000, -0.0003312200000000 ] - [ 0.0000000700000000, 0.0000000400000000, -0.0003312200000000 ] - [ -0.0000000700000000, 0.0000000400000000, -0.0003312200000000 ] - [ 0.0000000600000000, -0.0000000300000000, -0.0004324000000000 ] - [ -0.0000000600000000, -0.0000000300000000, -0.0004324000000000 ] - [ 0.0000000000000000, 0.0000000700000000, -0.0004324000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004317600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0323708800000000 ] - [ 0.0000000000000000, -0.0047190500000000, 0.0087864100000000 ] - [ 0.0040868100000000, 0.0023595200000000, 0.0087864100000000 ] - [ -0.0040868100000000, 0.0023595200000000, 0.0087864100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004605600000000 ] - [ 0.0000000000000000, -0.0001946700000000, -0.0006631400000000 ] - [ 0.0001685900000000, 0.0000973300000000, -0.0006631400000000 ] - [ -0.0001685900000000, 0.0000973300000000, -0.0006631400000000 ] - [ 0.0000642000000000, -0.0000370600000000, -0.0007049500000000 ] - [ -0.0000642000000000, -0.0000370600000000, -0.0007049500000000 ] - [ 0.0000000000000000, 0.0000741300000000, -0.0007049500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005651100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004117300000000 ] - [ 0.0000000000000000, -0.0000030200000000, -0.0004107600000000 ] - [ 0.0000026200000000, 0.0000015100000000, -0.0004107600000000 ] - [ -0.0000026200000000, 0.0000015100000000, -0.0004107600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001017200000000 ] - [ 0.0000000000000000, -0.0000000200000000, -0.0001032000000000 ] - [ 0.0000000200000000, 0.0000000100000000, -0.0001032000000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0001032000000000 ] - [ 0.0000000000000000, -0.0000011700000000, -0.0006207800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006297700000000 ] - [ -0.0000010100000000, 0.0000005800000000, -0.0006207800000000 ] - [ 0.0000010100000000, 0.0000005800000000, -0.0006207800000000 ] - [ 0.0000005100000000, -0.0000002900000000, 0.0005039800000000 ] - [ -0.0000005100000000, -0.0000002900000000, 0.0005039800000000 ] - [ 0.0000000000000000, 0.0000005800000000, 0.0005039800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005106000000000 ] - [ 0.0000000000000000, 0.0000822100000000, -0.0002903700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002426500000000 ] - [ 0.0000712000000000, -0.0000411100000000, -0.0002903700000000 ] - [ -0.0000712000000000, -0.0000411100000000, -0.0002903700000000 ] - [ -0.0060581600000000, 0.0034976800000000, -0.0082083600000000 ] - [ 0.0060581600000000, 0.0034976800000000, -0.0082083600000000 ] - [ 0.0000000000000000, -0.0069953600000000, -0.0082083600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021663900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006962400000000 ] - [ 0.0000000000000000, 0.0000123200000000, 0.0005764300000000 ] - [ -0.0000106700000000, -0.0000061600000000, 0.0005764300000000 ] - [ 0.0000106700000000, -0.0000061600000000, 0.0005764300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007052400000000 ] - [ 0.0000000000000000, 0.0000000600000000, 0.0007034200000000 ] - [ -0.0000000500000000, -0.0000000300000000, 0.0007034200000000 ] - [ 0.0000000500000000, -0.0000000300000000, 0.0007034200000000 ] - [ 0.0000000000000000, 0.0000000200000000, -0.0002138200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002169700000000 ] - [ 0.0000000200000000, -0.0000000100000000, -0.0002138200000000 ] - [ -0.0000000200000000, -0.0000000100000000, -0.0002138200000000 ] - [ 0.0000010300000000, -0.0000006000000000, 0.0008667300000000 ] - [ -0.0000010300000000, -0.0000006000000000, 0.0008667300000000 ] - [ 0.0000000000000000, 0.0000011900000000, 0.0008667300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008686600000000 ] - [ 0.0000000400000000, -0.0000000200000000, 0.0005467600000000 ] - [ -0.0000000400000000, -0.0000000200000000, 0.0005467600000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0005467600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005453900000000 ] - [ 0.0000000000000000, 0.0000008400000000, 0.0000150500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000145900000000 ] - [ 0.0000007200000000, -0.0000004200000000, 0.0000150500000000 ] - [ -0.0000007200000000, -0.0000004200000000, 0.0000150500000000 ] - [ -0.0000926700000000, 0.0000535000000000, 0.0010219200000000 ] - [ 0.0000926700000000, 0.0000535000000000, 0.0010219200000000 ] - [ 0.0000000000000000, -0.0001070000000000, 0.0010219200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009965100000000 ] - [ 0.0000000000000000, -0.0071077300000000, -0.0095981400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034837300000000 ] - [ -0.0061554700000000, 0.0035538600000000, -0.0095981400000000 ] - [ 0.0061554700000000, 0.0035538600000000, -0.0095981400000000 ] - [ 0.0000007400000000, -0.0000004200000000, 0.0005896300000000 ] - [ -0.0000007400000000, -0.0000004200000000, 0.0005896300000000 ] - [ 0.0000000000000000, 0.0000008500000000, 0.0005896300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005891500000000 ] - [ 0.0000000000000000, 0.0000001000000000, -0.0000959300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000973200000000 ] - [ 0.0000000900000000, -0.0000000500000000, -0.0000959300000000 ] - [ -0.0000000900000000, -0.0000000500000000, -0.0000959300000000 ] - [ 0.0000000000000000, 0.0000018400000000, -0.0006893500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003547500000000 ] - [ 0.0000016000000000, -0.0000009200000000, -0.0006893500000000 ] - [ -0.0000016000000000, -0.0000009200000000, -0.0006893500000000 ]- atom: 21 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000845300000000, 0.0000003200000000, 0.0001062000000000 ] - [ 0.0000845000000000, -0.0000005600000000, 0.0001052300000000 ] - [ 0.0000481500000000, -0.0000214500000000, -0.0000619100000000 ] - [ 0.0000466600000000, 0.0000213900000000, 0.0002736000000000 ] - [ -0.0000055100000000, 0.0000000300000000, 0.0001300100000000 ] - [ 0.0000026900000000, 0.0000000100000000, 0.0001300200000000 ] - [ -0.0000009700000000, -0.0000026200000000, 0.0001302100000000 ] - [ -0.0000010000000000, 0.0000026000000000, 0.0001298000000000 ] - [ 0.0000005800000000, -0.0000000400000000, -0.0000187400000000 ] - [ -0.0000002700000000, -0.0000000500000000, -0.0000187300000000 ] - [ -0.0000004300000000, -0.0000001300000000, -0.0000188200000000 ] - [ -0.0000004300000000, 0.0000000500000000, -0.0000186400000000 ] - [ -0.0000011700000000, -0.0000009200000000, -0.0001185700000000 ] - [ -0.0000011700000000, 0.0000010600000000, -0.0001186700000000 ] - [ -0.0000029000000000, 0.0000000500000000, -0.0001186300000000 ] - [ -0.0000013200000000, 0.0000000600000000, -0.0001186200000000 ] - [ -0.0000850400000000, -0.0000003500000000, -0.0004219700000000 ] - [ 0.0000844900000000, 0.0000004800000000, -0.0004210700000000 ] - [ 0.0000466500000000, -0.0000214500000000, -0.0005892600000000 ] - [ 0.0000481300000000, 0.0000214200000000, -0.0002541700000000 ] - [ -0.0337156000000000, 0.0000005100000000, -0.0002443500000000 ] - [ 0.0114463500000000, 0.0000009100000000, -0.0002831000000000 ] - [ 0.0003811100000000, -0.0063878900000000, -0.0043683800000000 ] - [ 0.0003808600000000, 0.0063868100000000, 0.0038032900000000 ] - [ -0.0000011000000000, -0.0000026000000000, -0.0003448200000000 ] - [ -0.0000010300000000, 0.0000026300000000, -0.0003452600000000 ] - [ -0.0000055900000000, 0.0000000000000000, -0.0003450100000000 ] - [ 0.0000026200000000, 0.0000000300000000, -0.0003450500000000 ] - [ 0.0000007200000000, -0.0000000600000000, -0.0000976200000000 ] - [ -0.0000002500000000, -0.0000000500000000, -0.0000976400000000 ] - [ -0.0000004000000000, -0.0000001100000000, -0.0000977400000000 ] - [ -0.0000004200000000, 0.0000000700000000, -0.0000975600000000 ] - [ -0.0000027000000000, 0.0000000000000000, -0.0002541400000000 ] - [ 0.0000019400000000, -0.0000000100000000, -0.0002541800000000 ] - [ -0.0000001000000000, -0.0000011900000000, -0.0002588300000000 ] - [ -0.0000001100000000, 0.0000011800000000, -0.0002495000000000 ] - [ -0.0000244300000000, 0.0000002400000000, -0.0007782100000000 ] - [ -0.0002378200000000, 0.0000002300000000, -0.0007764900000000 ] - [ -0.0000053000000000, -0.0000111400000000, -0.0007308900000000 ] - [ -0.0000053800000000, 0.0000109000000000, -0.0008239500000000 ] - [ -0.0000003100000000, -0.0000000500000000, 0.0003464900000000 ] - [ -0.0000003000000000, -0.0000003200000000, 0.0003459100000000 ] - [ -0.0000000800000000, -0.0000001900000000, 0.0003462000000000 ] - [ -0.0000004500000000, -0.0000001900000000, 0.0003461900000000 ] - [ 0.0000008400000000, -0.0000001500000000, -0.0004358500000000 ] - [ -0.0000010300000000, -0.0000001400000000, -0.0004358400000000 ] - [ -0.0000001800000000, 0.0000004400000000, -0.0004385700000000 ] - [ -0.0000001700000000, -0.0000007300000000, -0.0004331200000000 ] - [ -0.0000048200000000, -0.0000110300000000, 0.0007911700000000 ] - [ -0.0000047600000000, 0.0000114000000000, 0.0006986100000000 ] - [ -0.0000242100000000, -0.0000001900000000, 0.0007457100000000 ] - [ -0.0002362000000000, -0.0000001700000000, 0.0007440100000000 ] - [ -0.0000032600000000, -0.0000000200000000, 0.0005265500000000 ] - [ 0.0000013000000000, -0.0000000300000000, 0.0005266100000000 ] - [ -0.0000007300000000, -0.0000012100000000, 0.0005219300000000 ] - [ -0.0000007300000000, 0.0000011400000000, 0.0005312300000000 ] - [ -0.0000007200000000, 0.0000000200000000, 0.0005432000000000 ] - [ -0.0000008500000000, 0.0000000200000000, 0.0005431900000000 ] - [ 0.0000000400000000, 0.0000005300000000, 0.0005431800000000 ] - [ 0.0000000300000000, -0.0000004900000000, 0.0005432300000000 ] - [ -0.0000006100000000, 0.0000001800000000, -0.0003687000000000 ] - [ -0.0000003500000000, 0.0000001800000000, -0.0003687000000000 ] - [ -0.0000008400000000, 0.0000003100000000, -0.0003688000000000 ] - [ -0.0000008300000000, 0.0000000500000000, -0.0003686000000000 ] - [ -0.0000124200000000, 0.0000892700000000, 0.0007660500000000 ] - [ -0.0000117900000000, -0.0000895400000000, 0.0006452800000000 ] - [ 0.0001427500000000, -0.0000003000000000, 0.0007057500000000 ] - [ -0.0001110400000000, 0.0000000800000000, 0.0007055100000000 ] - [ -0.0000007300000000, 0.0000006900000000, 0.0003817900000000 ] - [ -0.0000007500000000, -0.0000004900000000, 0.0003872600000000 ] - [ 0.0000002800000000, 0.0000001100000000, 0.0003845400000000 ] - [ -0.0000016000000000, 0.0000001000000000, 0.0003845200000000 ] - [ -0.0000003900000000, 0.0000003200000000, -0.0001391300000000 ] - [ -0.0000007600000000, 0.0000003200000000, -0.0001391100000000 ] - [ -0.0000006100000000, 0.0000004500000000, -0.0001388300000000 ] - [ -0.0000006200000000, 0.0000002000000000, -0.0001394300000000 ] - [ 0.0059562600000000, -0.0033289600000000, 0.0089112900000000 ] - [ 0.0057067600000000, 0.0031415900000000, -0.0069294600000000 ] - [ 0.0002288300000000, -0.0000261300000000, 0.0008293100000000 ] - [ -0.0009411900000000, -0.0000031500000000, 0.0008534300000000 ] - [ 0.0001421700000000, 0.0000003300000000, -0.0005683900000000 ] - [ -0.0001114300000000, -0.0000000500000000, -0.0005681400000000 ] - [ -0.0000122300000000, 0.0000895000000000, -0.0005079600000000 ] - [ -0.0000128600000000, -0.0000891500000000, -0.0006286800000000 ] - [ -0.0000005000000000, -0.0000001600000000, 0.0004305800000000 ] - [ -0.0000004800000000, -0.0000004200000000, 0.0004308100000000 ] - [ -0.0000002700000000, -0.0000003000000000, 0.0004307000000000 ] - [ -0.0000000100000000, -0.0000002800000000, 0.0004307000000000 ] - [ -0.0000001300000000, -0.0000001000000000, -0.0002504100000000 ] - [ -0.0000005800000000, -0.0000001000000000, -0.0002504200000000 ] - [ -0.0000004000000000, 0.0000000500000000, -0.0002511300000000 ] - [ -0.0000004200000000, -0.0000002600000000, -0.0002497000000000 ] - [ 0.0002293500000000, 0.0000261300000000, -0.0006782300000000 ] - [ -0.0009418000000000, 0.0000032000000000, -0.0007022700000000 ] - [ 0.0056980200000000, -0.0031362000000000, 0.0070719200000000 ] - [ 0.0059473200000000, 0.0033235300000000, -0.0087512300000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0002795900000000 ] - [ 0.0000000000000000, 0.0001932800000000, 0.0004881500000000 ] - [ -0.0001673800000000, -0.0000966400000000, 0.0004881500000000 ] - [ 0.0001673800000000, -0.0000966400000000, 0.0004881500000000 ] - [ 0.0000000000000000, -0.0000051100000000, 0.0004459100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004422300000000 ] - [ -0.0000044300000000, 0.0000025600000000, 0.0004459100000000 ] - [ 0.0000044300000000, 0.0000025600000000, 0.0004459100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002996000000000 ] - [ 0.0000000000000000, 0.0000001400000000, 0.0002983300000000 ] - [ -0.0000001200000000, -0.0000000700000000, 0.0002983300000000 ] - [ 0.0000001200000000, -0.0000000700000000, 0.0002983300000000 ] - [ -0.0000000100000000, 0.0000000100000000, 0.0001960500000000 ] - [ 0.0000000100000000, 0.0000000100000000, 0.0001960500000000 ] - [ 0.0000000000000000, -0.0000000200000000, 0.0001960500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001949200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002423500000000 ] - [ 0.0000000000000000, 0.0001955700000000, -0.0000386400000000 ] - [ -0.0001693700000000, -0.0000977800000000, -0.0000386400000000 ] - [ 0.0001693700000000, -0.0000977800000000, -0.0000386400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0330886100000000 ] - [ 0.0000000000000000, 0.0047180000000000, -0.0095007800000000 ] - [ -0.0040859100000000, -0.0023590000000000, -0.0095007800000000 ] - [ 0.0040859100000000, -0.0023590000000000, -0.0095007800000000 ] - [ -0.0000044400000000, 0.0000025600000000, -0.0000293000000000 ] - [ 0.0000044400000000, 0.0000025600000000, -0.0000293000000000 ] - [ 0.0000000000000000, -0.0000051200000000, -0.0000293000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000330500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002144300000000 ] - [ 0.0000000000000000, 0.0000001200000000, 0.0002179600000000 ] - [ -0.0000001100000000, -0.0000000600000000, 0.0002179600000000 ] - [ 0.0000001100000000, -0.0000000600000000, 0.0002179600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004187500000000 ] - [ 0.0000000000000000, 0.0000008000000000, -0.0004065200000000 ] - [ -0.0000007000000000, -0.0000004000000000, -0.0004065200000000 ] - [ 0.0000007000000000, -0.0000004000000000, -0.0004065200000000 ] - [ 0.0000000000000000, -0.0000016400000000, -0.0007929800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011267200000000 ] - [ -0.0000014200000000, 0.0000008200000000, -0.0007929800000000 ] - [ 0.0000014200000000, 0.0000008200000000, -0.0007929800000000 ] - [ 0.0000003000000000, -0.0000001800000000, 0.0001909600000000 ] - [ -0.0000003000000000, -0.0000001800000000, 0.0001909600000000 ] - [ 0.0000000000000000, 0.0000003500000000, 0.0001909600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001925700000000 ] - [ 0.0000000000000000, -0.0000018800000000, -0.0005946000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005910700000000 ] - [ -0.0000016300000000, 0.0000009400000000, -0.0005946000000000 ] - [ 0.0000016300000000, 0.0000009400000000, -0.0005946000000000 ] - [ -0.0000018400000000, 0.0000010600000000, 0.0007306400000000 ] - [ 0.0000018400000000, 0.0000010600000000, 0.0007306400000000 ] - [ 0.0000000000000000, -0.0000021200000000, 0.0007306400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003934300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003619900000000 ] - [ 0.0000000000000000, 0.0000008000000000, 0.0003751700000000 ] - [ -0.0000006900000000, -0.0000004000000000, 0.0003751700000000 ] - [ 0.0000006900000000, -0.0000004000000000, 0.0003751700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003881300000000 ] - [ 0.0000000000000000, 0.0000000300000000, 0.0003894300000000 ] - [ -0.0000000200000000, -0.0000000100000000, 0.0003894300000000 ] - [ 0.0000000200000000, -0.0000000100000000, 0.0003894300000000 ] - [ 0.0000000000000000, -0.0000000200000000, -0.0005270600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005255900000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0005270600000000 ] - [ 0.0000000200000000, 0.0000000100000000, -0.0005270600000000 ] - [ 0.0000928600000000, -0.0000536100000000, 0.0005408200000000 ] - [ -0.0000928600000000, -0.0000536100000000, 0.0005408200000000 ] - [ 0.0000000000000000, 0.0001072200000000, 0.0005408200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005657400000000 ] - [ -0.0000015800000000, 0.0000009100000000, 0.0002268800000000 ] - [ 0.0000015800000000, 0.0000009100000000, 0.0002268800000000 ] - [ 0.0000000000000000, -0.0000018200000000, 0.0002268800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002304000000000 ] - [ 0.0000000000000000, 0.0000003300000000, -0.0002957000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002941600000000 ] - [ 0.0000002800000000, -0.0000001600000000, -0.0002957000000000 ] - [ -0.0000002800000000, -0.0000001600000000, -0.0002957000000000 ] - [ 0.0062403200000000, -0.0036028500000000, 0.0098961100000000 ] - [ -0.0062403200000000, -0.0036028500000000, 0.0098961100000000 ] - [ 0.0000000000000000, 0.0072057000000000, 0.0098961100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037863800000000 ] - [ 0.0000000000000000, 0.0001077200000000, -0.0007347300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007086600000000 ] - [ 0.0000932900000000, -0.0000538600000000, -0.0007347300000000 ] - [ -0.0000932900000000, -0.0000538600000000, -0.0007347300000000 ] - [ -0.0000000500000000, 0.0000000300000000, 0.0002751900000000 ] - [ 0.0000000500000000, 0.0000000300000000, 0.0002751900000000 ] - [ 0.0000000000000000, -0.0000000500000000, 0.0002751900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002766900000000 ] - [ 0.0000000000000000, -0.0000008000000000, -0.0004086600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004081000000000 ] - [ -0.0000006900000000, 0.0000004000000000, -0.0004086600000000 ] - [ 0.0000006900000000, 0.0000004000000000, -0.0004086600000000 ] - [ 0.0000000000000000, 0.0069702200000000, 0.0082491600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022356400000000 ] - [ 0.0060363900000000, -0.0034851100000000, 0.0082491600000000 ] - [ -0.0060363900000000, -0.0034851100000000, 0.0082491600000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0000621200000000 ] - [ 0.0000000000000000, -0.0001956800000000, -0.0002759600000000 ] - [ 0.0001694700000000, 0.0000978400000000, -0.0002759600000000 ] - [ -0.0001694700000000, 0.0000978400000000, -0.0002759600000000 ] - [ 0.0000000000000000, 0.0000051400000000, -0.0001843400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001805900000000 ] - [ 0.0000044500000000, -0.0000025700000000, -0.0001843400000000 ] - [ -0.0000044500000000, -0.0000025700000000, -0.0001843400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003364100000000 ] - [ 0.0000000000000000, -0.0000001100000000, -0.0003346400000000 ] - [ 0.0000000900000000, 0.0000000500000000, -0.0003346400000000 ] - [ -0.0000000900000000, 0.0000000500000000, -0.0003346400000000 ] - [ 0.0000000100000000, 0.0000000000000000, -0.0004322300000000 ] - [ -0.0000000100000000, 0.0000000000000000, -0.0004322300000000 ] - [ 0.0000000000000000, 0.0000000100000000, -0.0004322300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004310900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006030400000000 ] - [ 0.0000000000000000, -0.0001932100000000, -0.0008027600000000 ] - [ 0.0001673200000000, 0.0000966000000000, -0.0008027600000000 ] - [ -0.0001673200000000, 0.0000966000000000, -0.0008027600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0324796100000000 ] - [ 0.0000000000000000, -0.0047180400000000, 0.0089367100000000 ] - [ 0.0040859400000000, 0.0023590200000000, 0.0089367100000000 ] - [ -0.0040859400000000, 0.0023590200000000, 0.0089367100000000 ] - [ 0.0000044100000000, -0.0000025500000000, -0.0006596500000000 ] - [ -0.0000044100000000, -0.0000025500000000, -0.0006596500000000 ] - [ 0.0000000000000000, 0.0000050900000000, -0.0006596500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006559800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004078500000000 ] - [ 0.0000000000000000, -0.0000001200000000, -0.0004118800000000 ] - [ 0.0000001100000000, 0.0000000600000000, -0.0004118800000000 ] - [ -0.0000001100000000, 0.0000000600000000, -0.0004118800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000888800000000 ] - [ 0.0000000000000000, -0.0000008100000000, -0.0001012800000000 ] - [ 0.0000007000000000, 0.0000004000000000, -0.0001012800000000 ] - [ -0.0000007000000000, 0.0000004000000000, -0.0001012800000000 ] - [ 0.0000000000000000, 0.0000020100000000, -0.0007623100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004239100000000 ] - [ 0.0000017400000000, -0.0000010100000000, -0.0007623100000000 ] - [ -0.0000017400000000, -0.0000010100000000, -0.0007623100000000 ] - [ -0.0000003000000000, 0.0000001700000000, 0.0005031700000000 ] - [ 0.0000003000000000, 0.0000001700000000, 0.0005031700000000 ] - [ 0.0000000000000000, -0.0000003500000000, 0.0005031700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005016000000000 ] - [ 0.0000000000000000, 0.0000018300000000, -0.0002766900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002801700000000 ] - [ 0.0000015800000000, -0.0000009100000000, -0.0002766900000000 ] - [ -0.0000015800000000, -0.0000009100000000, -0.0002766900000000 ] - [ 0.0000016000000000, -0.0000009300000000, 0.0007623600000000 ] - [ -0.0000016000000000, -0.0000009300000000, 0.0007623600000000 ] - [ 0.0000000000000000, 0.0000018500000000, 0.0007623600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010950300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006927600000000 ] - [ 0.0000000000000000, -0.0000007900000000, 0.0006798700000000 ] - [ 0.0000006900000000, 0.0000004000000000, 0.0006798700000000 ] - [ -0.0000006900000000, 0.0000004000000000, 0.0006798700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007002200000000 ] - [ 0.0000000000000000, -0.0000000400000000, 0.0006989000000000 ] - [ 0.0000000300000000, 0.0000000200000000, 0.0006989000000000 ] - [ -0.0000000300000000, 0.0000000200000000, 0.0006989000000000 ] - [ 0.0000000000000000, 0.0000000100000000, -0.0002097900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002112900000000 ] - [ 0.0000000100000000, -0.0000000100000000, -0.0002097900000000 ] - [ -0.0000000100000000, -0.0000000100000000, -0.0002097900000000 ] - [ -0.0000933600000000, 0.0000539000000000, 0.0008732400000000 ] - [ 0.0000933600000000, 0.0000539000000000, 0.0008732400000000 ] - [ 0.0000000000000000, -0.0001078100000000, 0.0008732400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008471700000000 ] - [ 0.0000016100000000, -0.0000009300000000, 0.0005445800000000 ] - [ -0.0000016100000000, -0.0000009300000000, 0.0005445800000000 ] - [ 0.0000000000000000, 0.0000018600000000, 0.0005445800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005410400000000 ] - [ 0.0000000000000000, -0.0000003200000000, 0.0000180700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000164700000000 ] - [ -0.0000002800000000, 0.0000001600000000, 0.0000180700000000 ] - [ 0.0000002800000000, 0.0000001600000000, 0.0000180700000000 ] - [ -0.0060433500000000, 0.0034891300000000, -0.0080996700000000 ] - [ 0.0060433500000000, 0.0034891300000000, -0.0080996700000000 ] - [ 0.0000000000000000, -0.0069782600000000, -0.0080996700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020818500000000 ] - [ 0.0000000000000000, -0.0001071200000000, -0.0004023000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004272100000000 ] - [ -0.0000927600000000, 0.0000535600000000, -0.0004023000000000 ] - [ 0.0000927600000000, 0.0000535600000000, -0.0004023000000000 ] - [ 0.0000000400000000, -0.0000000200000000, 0.0005881400000000 ] - [ -0.0000000400000000, -0.0000000200000000, 0.0005881400000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0005881400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005866800000000 ] - [ 0.0000000000000000, 0.0000008200000000, -0.0000917800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000923300000000 ] - [ 0.0000007100000000, -0.0000004100000000, -0.0000917800000000 ] - [ -0.0000007100000000, -0.0000004100000000, -0.0000917800000000 ] - [ 0.0000000000000000, -0.0071977800000000, -0.0097406400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036352000000000 ] - [ -0.0062334600000000, 0.0035988900000000, -0.0097406400000000 ] - [ 0.0062334600000000, 0.0035988900000000, -0.0097406400000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000003500000000, -0.0000000200000000, 0.0001058200000000 ] - [ -0.0000003500000000, -0.0000001500000000, 0.0001054500000000 ] - [ -0.0000002400000000, -0.0000000600000000, 0.0001056200000000 ] - [ -0.0000008400000000, -0.0000000500000000, 0.0001056200000000 ] - [ -0.0000008500000000, 0.0000010000000000, 0.0001300300000000 ] - [ -0.0000009000000000, -0.0000009700000000, 0.0001299200000000 ] - [ -0.0000010300000000, 0.0000000200000000, 0.0001299600000000 ] - [ -0.0000025800000000, -0.0000000200000000, 0.0001299700000000 ] - [ -0.0000003300000000, -0.0000002000000000, -0.0000190200000000 ] - [ -0.0000003300000000, 0.0000001100000000, -0.0000185400000000 ] - [ -0.0000006100000000, -0.0000000400000000, -0.0000187900000000 ] - [ -0.0000004800000000, -0.0000000300000000, -0.0000187700000000 ] - [ -0.0000068300000000, 0.0000000800000000, -0.0001186800000000 ] - [ 0.0000077800000000, 0.0000000700000000, -0.0001186900000000 ] - [ -0.0000003500000000, -0.0000046400000000, -0.0001160500000000 ] - [ -0.0000003500000000, 0.0000047500000000, -0.0001213200000000 ] - [ 0.0000252500000000, -0.0001757500000000, -0.0004846000000000 ] - [ 0.0000270000000000, 0.0001755500000000, -0.0003582900000000 ] - [ -0.0002781100000000, -0.0000004600000000, -0.0004219200000000 ] - [ 0.0002590900000000, 0.0000005900000000, -0.0004212500000000 ] - [ -0.0000006300000000, -0.0000026400000000, -0.0002870800000000 ] - [ -0.0000006600000000, 0.0000025500000000, -0.0002782900000000 ] - [ -0.0000051400000000, -0.0000000300000000, -0.0002826900000000 ] - [ 0.0000030600000000, -0.0000000300000000, -0.0002826900000000 ] - [ -0.0337217700000000, -0.0000001600000000, -0.0003023300000000 ] - [ 0.0114395300000000, 0.0000008900000000, -0.0003456000000000 ] - [ 0.0003803000000000, -0.0063843300000000, 0.0037388200000000 ] - [ 0.0003800800000000, 0.0063833800000000, -0.0044287400000000 ] - [ 0.0000259800000000, -0.0001758700000000, -0.0003354700000000 ] - [ 0.0000263200000000, 0.0001756400000000, 0.0001397200000000 ] - [ -0.0002782800000000, -0.0000001300000000, -0.0000975500000000 ] - [ 0.0002593000000000, 0.0000000600000000, -0.0000977300000000 ] - [ -0.0000000700000000, 0.0000000900000000, -0.0002548800000000 ] - [ -0.0000000700000000, -0.0000001100000000, -0.0002535300000000 ] - [ 0.0000000900000000, -0.0000000100000000, -0.0002541900000000 ] - [ -0.0000002700000000, 0.0000000000000000, -0.0002542200000000 ] - [ -0.0000005100000000, -0.0000000200000000, -0.0007771600000000 ] - [ -0.0000005100000000, 0.0000001500000000, -0.0007770600000000 ] - [ -0.0000005900000000, 0.0000000700000000, -0.0007771000000000 ] - [ -0.0000003700000000, 0.0000000700000000, -0.0007771000000000 ] - [ -0.0000299000000000, -0.0000002900000000, 0.0003465500000000 ] - [ -0.0000841400000000, -0.0000001400000000, 0.0003462900000000 ] - [ 0.0000179900000000, 0.0000591800000000, 0.0006011400000000 ] - [ 0.0000182500000000, -0.0000588700000000, 0.0000921100000000 ] - [ 0.0056191000000000, 0.0030994700000000, 0.0073377300000000 ] - [ 0.0058688300000000, -0.0032874100000000, -0.0084860300000000 ] - [ -0.0009363000000000, -0.0000033100000000, -0.0004368200000000 ] - [ 0.0002137500000000, -0.0000261100000000, -0.0004126600000000 ] - [ 0.0000066200000000, 0.0000001100000000, 0.0007443500000000 ] - [ 0.0000064700000000, -0.0000001900000000, 0.0007448700000000 ] - [ -0.0000211500000000, -0.0000160700000000, 0.0005851600000000 ] - [ -0.0000217000000000, 0.0000161300000000, 0.0009038600000000 ] - [ 0.0057250300000000, -0.0031520500000000, -0.0072699800000000 ] - [ 0.0059748400000000, 0.0033396200000000, 0.0085997800000000 ] - [ 0.0002289600000000, 0.0000260900000000, 0.0005030800000000 ] - [ -0.0009375500000000, 0.0000030500000000, 0.0005271900000000 ] - [ 0.0000004700000000, -0.0000017200000000, 0.0005339600000000 ] - [ 0.0000001600000000, 0.0000015800000000, 0.0005517700000000 ] - [ -0.0000022700000000, 0.0000004700000000, 0.0005429500000000 ] - [ -0.0000006900000000, 0.0000000200000000, 0.0005431600000000 ] - [ -0.0000044000000000, 0.0000989200000000, -0.0003718300000000 ] - [ -0.0000041900000000, -0.0000985200000000, -0.0003657500000000 ] - [ 0.0002051300000000, 0.0000001200000000, -0.0003689300000000 ] - [ -0.0001752800000000, 0.0000002200000000, -0.0003686000000000 ] - [ 0.0000000200000000, -0.0000001200000000, 0.0007056100000000 ] - [ -0.0000002600000000, -0.0000001200000000, 0.0007056200000000 ] - [ -0.0000012200000000, -0.0000006700000000, 0.0007056700000000 ] - [ -0.0000012300000000, 0.0000004400000000, 0.0007055800000000 ] - [ -0.0000005300000000, 0.0000001000000000, 0.0003844800000000 ] - [ -0.0000006900000000, 0.0000001000000000, 0.0003845000000000 ] - [ 0.0000002100000000, 0.0000006200000000, 0.0003845000000000 ] - [ 0.0000002100000000, -0.0000004100000000, 0.0003845000000000 ] - [ -0.0000005000000000, 0.0000003000000000, -0.0001394500000000 ] - [ -0.0000005100000000, 0.0000003400000000, -0.0001391600000000 ] - [ 0.0000001700000000, 0.0000003300000000, -0.0001393000000000 ] - [ -0.0000004700000000, 0.0000003200000000, -0.0001393100000000 ] - [ 0.0000037000000000, -0.0000000600000000, 0.0008526400000000 ] - [ -0.0000028500000000, -0.0000000700000000, 0.0008526400000000 ] - [ -0.0000003000000000, 0.0000014000000000, 0.0008529500000000 ] - [ -0.0000003100000000, -0.0000015400000000, 0.0008523200000000 ] - [ 0.0000040100000000, 0.0000309500000000, -0.0005328200000000 ] - [ 0.0000039200000000, -0.0000303900000000, -0.0006045200000000 ] - [ -0.0001477800000000, 0.0000001400000000, -0.0005676700000000 ] - [ -0.0000491600000000, 0.0000000100000000, -0.0005695100000000 ] - [ -0.0000000600000000, -0.0000002800000000, 0.0004307800000000 ] - [ -0.0000003000000000, -0.0000002900000000, 0.0004307800000000 ] - [ -0.0000006300000000, -0.0000004800000000, 0.0004309400000000 ] - [ -0.0000006400000000, -0.0000000900000000, 0.0004306400000000 ] - [ 0.0000001000000000, -0.0000016300000000, -0.0002536400000000 ] - [ 0.0000001200000000, 0.0000014400000000, -0.0002472900000000 ] - [ -0.0000025000000000, -0.0000001000000000, -0.0002504500000000 ] - [ 0.0000027700000000, -0.0000000900000000, -0.0002504600000000 ] - [ 0.0000002500000000, 0.0000018300000000, -0.0006961400000000 ] - [ -0.0000000600000000, -0.0000014100000000, -0.0007064100000000 ] - [ -0.0000014200000000, 0.0000001200000000, -0.0007015800000000 ] - [ -0.0000024400000000, -0.0000003200000000, -0.0007013800000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0004187100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004187100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004187100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004182800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004432600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004432600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004421500000000 ] - [ 0.0000000000000000, -0.0000000100000000, 0.0004432600000000 ] - [ -0.0000000500000000, 0.0000000300000000, 0.0002960600000000 ] - [ 0.0000000500000000, 0.0000000300000000, 0.0002960600000000 ] - [ 0.0000000000000000, -0.0000000500000000, 0.0002960600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002954600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001966100000000 ] - [ 0.0000000000000000, -0.0000028900000000, 0.0001954300000000 ] - [ 0.0000025000000000, 0.0000014500000000, 0.0001954300000000 ] - [ -0.0000025000000000, 0.0000014500000000, 0.0001954300000000 ] - [ 0.0002364200000000, -0.0001365000000000, -0.0000623800000000 ] - [ -0.0002364200000000, -0.0001365000000000, -0.0000623800000000 ] - [ 0.0000000000000000, 0.0002730000000000, -0.0000623800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002006600000000 ] - [ 0.0000002800000000, -0.0000001600000000, 0.0000330100000000 ] - [ -0.0000002800000000, -0.0000001600000000, 0.0000330100000000 ] - [ 0.0000000000000000, 0.0000003200000000, 0.0000330100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000293200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0331485800000000 ] - [ 0.0000000000000000, -0.0047154300000000, -0.0095547500000000 ] - [ 0.0040836800000000, 0.0023577200000000, -0.0095547500000000 ] - [ -0.0040836800000000, 0.0023577200000000, -0.0095547500000000 ] - [ 0.0000620000000000, -0.0000357900000000, 0.0002617400000000 ] - [ -0.0000620000000000, -0.0000357900000000, 0.0002617400000000 ] - [ 0.0000000000000000, 0.0000715900000000, 0.0002617400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001230500000000 ] - [ -0.0000007700000000, 0.0000004500000000, -0.0004094600000000 ] - [ 0.0000007700000000, 0.0000004500000000, -0.0004094600000000 ] - [ 0.0000000000000000, -0.0000008900000000, -0.0004094600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004089900000000 ] - [ 0.0000002800000000, 0.0000001600000000, -0.0009346900000000 ] - [ -0.0000002800000000, 0.0000001600000000, -0.0009346900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009326100000000 ] - [ 0.0000000000000000, -0.0000003200000000, -0.0009346900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001830000000000 ] - [ 0.0000000000000000, 0.0000128600000000, 0.0003003900000000 ] - [ -0.0000111400000000, -0.0000064300000000, 0.0003003900000000 ] - [ 0.0000111400000000, -0.0000064300000000, 0.0003003900000000 ] - [ 0.0059537600000000, 0.0034374000000000, 0.0085035700000000 ] - [ -0.0059537600000000, 0.0034374000000000, 0.0085035700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024814000000000 ] - [ 0.0000000000000000, -0.0068748100000000, 0.0085035700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007092900000000 ] - [ 0.0000000000000000, 0.0000564000000000, 0.0005421600000000 ] - [ -0.0000488400000000, -0.0000282000000000, 0.0005421600000000 ] - [ 0.0000488400000000, -0.0000282000000000, 0.0005421600000000 ] - [ -0.0062644900000000, 0.0036168100000000, 0.0095724900000000 ] - [ 0.0062644900000000, 0.0036168100000000, 0.0095724900000000 ] - [ 0.0000000000000000, -0.0072336100000000, 0.0095724900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034507000000000 ] - [ 0.0000007500000000, -0.0000004300000000, 0.0003897300000000 ] - [ -0.0000007500000000, -0.0000004300000000, 0.0003897300000000 ] - [ 0.0000000000000000, 0.0000008700000000, 0.0003897300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003838900000000 ] - [ -0.0000707500000000, -0.0000408500000000, -0.0005159300000000 ] - [ 0.0000707500000000, -0.0000408500000000, -0.0005159300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005651000000000 ] - [ 0.0000000000000000, 0.0000817000000000, -0.0005159300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005489500000000 ] - [ 0.0000000000000000, -0.0000000300000000, 0.0005498500000000 ] - [ 0.0000000300000000, 0.0000000200000000, 0.0005498500000000 ] - [ -0.0000000300000000, 0.0000000200000000, 0.0005498500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002280800000000 ] - [ 0.0000000000000000, -0.0000000300000000, 0.0002293100000000 ] - [ 0.0000000300000000, 0.0000000200000000, 0.0002293100000000 ] - [ -0.0000000300000000, 0.0000000200000000, 0.0002293100000000 ] - [ -0.0000001300000000, -0.0000000700000000, -0.0002950200000000 ] - [ 0.0000001300000000, -0.0000000700000000, -0.0002950200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002935600000000 ] - [ 0.0000000000000000, 0.0000001400000000, -0.0002950200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006954500000000 ] - [ 0.0000000000000000, 0.0000018000000000, 0.0006968200000000 ] - [ -0.0000015600000000, -0.0000009000000000, 0.0006968200000000 ] - [ 0.0000015600000000, -0.0000009000000000, 0.0006968200000000 ] - [ -0.0000129700000000, -0.0000074900000000, -0.0005788400000000 ] - [ 0.0000129700000000, -0.0000074900000000, -0.0005788400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009200400000000 ] - [ 0.0000000000000000, 0.0000149800000000, -0.0005788400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002749000000000 ] - [ 0.0000000000000000, 0.0000000500000000, 0.0002763100000000 ] - [ -0.0000000400000000, -0.0000000200000000, 0.0002763100000000 ] - [ 0.0000000400000000, -0.0000000200000000, 0.0002763100000000 ] - [ -0.0000000800000000, -0.0000000400000000, -0.0004086600000000 ] - [ 0.0000000800000000, -0.0000000400000000, -0.0004086600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004055600000000 ] - [ 0.0000000000000000, 0.0000000900000000, -0.0004086600000000 ] - [ -0.0000009300000000, -0.0000005400000000, -0.0008579400000000 ] - [ 0.0000009300000000, -0.0000005400000000, -0.0008579400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008589200000000 ] - [ 0.0000000000000000, 0.0000010700000000, -0.0008579400000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000500000000, -0.0000000300000000, -0.0002064000000000 ] - [ -0.0000000500000000, -0.0000000300000000, -0.0002064000000000 ] - [ 0.0000000000000000, 0.0000000600000000, -0.0002064000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002060700000000 ] - [ 0.0000000200000000, 0.0000000100000000, -0.0001820500000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0001820500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001809600000000 ] - [ 0.0000000000000000, -0.0000000200000000, -0.0001820500000000 ] - [ 0.0000000500000000, -0.0000000300000000, -0.0003326500000000 ] - [ -0.0000000500000000, -0.0000000300000000, -0.0003326500000000 ] - [ 0.0000000000000000, 0.0000000500000000, -0.0003326500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003320100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004334700000000 ] - [ 0.0000000000000000, 0.0000030200000000, -0.0004318600000000 ] - [ -0.0000026100000000, -0.0000015100000000, -0.0004318600000000 ] - [ 0.0000026100000000, -0.0000015100000000, -0.0004318600000000 ] - [ -0.0002382000000000, 0.0001375200000000, -0.0007802600000000 ] - [ 0.0002382000000000, 0.0001375200000000, -0.0007802600000000 ] - [ 0.0000000000000000, -0.0002750500000000, -0.0007802600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006397400000000 ] - [ -0.0000002400000000, 0.0000001400000000, -0.0005972900000000 ] - [ 0.0000002400000000, 0.0000001400000000, -0.0005972900000000 ] - [ 0.0000000000000000, -0.0000002800000000, -0.0005972900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005935700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0324475600000000 ] - [ 0.0000000000000000, 0.0047153900000000, 0.0088654200000000 ] - [ -0.0040836500000000, -0.0023577000000000, 0.0088654200000000 ] - [ 0.0040836500000000, -0.0023577000000000, 0.0088654200000000 ] - [ -0.0000641900000000, 0.0000370600000000, -0.0004562100000000 ] - [ 0.0000641900000000, 0.0000370600000000, -0.0004562100000000 ] - [ 0.0000000000000000, -0.0000741100000000, -0.0004562100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003162800000000 ] - [ 0.0000007800000000, -0.0000004500000000, -0.0000985900000000 ] - [ -0.0000007800000000, -0.0000004500000000, -0.0000985900000000 ] - [ 0.0000000000000000, 0.0000009000000000, -0.0000985900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000991200000000 ] - [ -0.0000002700000000, -0.0000001600000000, -0.0006194900000000 ] - [ 0.0000002700000000, -0.0000001600000000, -0.0006194900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006216000000000 ] - [ 0.0000000000000000, 0.0000003100000000, -0.0006194900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005121200000000 ] - [ 0.0000000000000000, -0.0000123300000000, 0.0003922300000000 ] - [ 0.0000106700000000, 0.0000061600000000, 0.0003922300000000 ] - [ -0.0000106700000000, 0.0000061600000000, 0.0003922300000000 ] - [ -0.0061507600000000, -0.0035511400000000, -0.0094638500000000 ] - [ 0.0061507600000000, -0.0035511400000000, -0.0094638500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0033499300000000 ] - [ 0.0000000000000000, 0.0071022800000000, -0.0094638500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007818400000000 ] - [ 0.0000000000000000, -0.0000572700000000, 0.0009494100000000 ] - [ 0.0000496000000000, 0.0000286300000000, 0.0009494100000000 ] - [ -0.0000496000000000, 0.0000286300000000, 0.0009494100000000 ] - [ 0.0060671700000000, -0.0035028800000000, -0.0084288400000000 ] - [ -0.0060671700000000, -0.0035028800000000, -0.0084288400000000 ] - [ 0.0000000000000000, 0.0070057600000000, -0.0084288400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023984700000000 ] - [ -0.0000004200000000, 0.0000002400000000, 0.0006975800000000 ] - [ 0.0000004200000000, 0.0000002400000000, 0.0006975800000000 ] - [ 0.0000000000000000, -0.0000004800000000, 0.0006975800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007041700000000 ] - [ 0.0000712800000000, 0.0000411500000000, -0.0002209200000000 ] - [ -0.0000712800000000, 0.0000411500000000, -0.0002209200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001729700000000 ] - [ 0.0000000000000000, -0.0000823100000000, -0.0002209200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008644500000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0008636900000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0008636900000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0008636900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005430600000000 ] - [ 0.0000000000000000, 0.0000000200000000, 0.0005417800000000 ] - [ -0.0000000200000000, -0.0000000100000000, 0.0005417800000000 ] - [ 0.0000000200000000, -0.0000000100000000, 0.0005417800000000 ] - [ 0.0000001200000000, 0.0000000700000000, 0.0000169900000000 ] - [ -0.0000001200000000, 0.0000000700000000, 0.0000169900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000154900000000 ] - [ 0.0000000000000000, -0.0000001400000000, 0.0000169900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010115200000000 ] - [ 0.0000000000000000, -0.0000018000000000, 0.0010100800000000 ] - [ 0.0000015600000000, 0.0000009000000000, 0.0010100800000000 ] - [ -0.0000015600000000, 0.0000009000000000, 0.0010100800000000 ] - [ 0.0000133900000000, 0.0000077300000000, -0.0005597800000000 ] - [ -0.0000133900000000, 0.0000077300000000, -0.0005597800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002137600000000 ] - [ 0.0000000000000000, -0.0000154600000000, -0.0005597800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005883200000000 ] - [ 0.0000000000000000, -0.0000000400000000, 0.0005868000000000 ] - [ 0.0000000300000000, 0.0000000200000000, 0.0005868000000000 ] - [ -0.0000000300000000, 0.0000000200000000, 0.0005868000000000 ] - [ 0.0000000300000000, 0.0000000200000000, -0.0000920900000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0000920900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000952100000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0000920900000000 ] - [ 0.0000012500000000, 0.0000007200000000, -0.0005442100000000 ] - [ -0.0000012500000000, 0.0000007200000000, -0.0005442100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005438500000000 ] - [ 0.0000000000000000, -0.0000014400000000, -0.0005442100000000 ]- atom: 29 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000009100000000, -0.0000001000000000, 0.0001058300000000 ] - [ -0.0000015200000000, -0.0000000800000000, 0.0001057600000000 ] - [ -0.0000007000000000, 0.0000004000000000, 0.0001057500000000 ] - [ -0.0000007100000000, -0.0000005400000000, 0.0001057600000000 ] - [ -0.0000007700000000, 0.0000000100000000, 0.0001300900000000 ] - [ -0.0000007600000000, 0.0000000100000000, 0.0001300900000000 ] - [ -0.0000005700000000, -0.0000001200000000, 0.0001299800000000 ] - [ -0.0000005800000000, 0.0000001100000000, 0.0001301700000000 ] - [ -0.0000072300000000, -0.0000000500000000, -0.0000186300000000 ] - [ 0.0000076900000000, -0.0000000500000000, -0.0000186400000000 ] - [ -0.0000004200000000, -0.0000047200000000, -0.0000212700000000 ] - [ -0.0000004200000000, 0.0000046400000000, -0.0000160100000000 ] - [ 0.0000259000000000, -0.0001753600000000, 0.0001184800000000 ] - [ 0.0000256000000000, 0.0001756500000000, -0.0003558800000000 ] - [ -0.0002782300000000, 0.0000001400000000, -0.0001183900000000 ] - [ 0.0002586500000000, -0.0000000300000000, -0.0001185800000000 ] - [ -0.0000070500000000, 0.0000000000000000, -0.0004214200000000 ] - [ 0.0000077800000000, 0.0000000000000000, -0.0004214600000000 ] - [ -0.0000003700000000, -0.0000047100000000, -0.0004240900000000 ] - [ -0.0000003900000000, 0.0000047200000000, -0.0004188300000000 ] - [ 0.0000007700000000, -0.0000000600000000, -0.0002825400000000 ] - [ -0.0000002200000000, -0.0000000500000000, -0.0002825900000000 ] - [ -0.0000003500000000, -0.0000001200000000, -0.0002826900000000 ] - [ -0.0000003900000000, 0.0000000500000000, -0.0002824700000000 ] - [ 0.0000266400000000, -0.0001757000000000, -0.0002816700000000 ] - [ 0.0000249300000000, 0.0001759000000000, -0.0004079600000000 ] - [ -0.0002787100000000, 0.0000004700000000, -0.0003452800000000 ] - [ 0.0002589300000000, -0.0000005400000000, -0.0003446300000000 ] - [ -0.0337009900000000, 0.0000010700000000, -0.0000669600000000 ] - [ 0.0114396600000000, 0.0000009300000000, -0.0000980100000000 ] - [ 0.0003803100000000, -0.0063844500000000, -0.0041810000000000 ] - [ 0.0003801400000000, 0.0063833900000000, 0.0039860800000000 ] - [ 0.0000000100000000, -0.0000000200000000, -0.0002540400000000 ] - [ -0.0000003300000000, -0.0000000100000000, -0.0002540400000000 ] - [ -0.0000012400000000, -0.0000005400000000, -0.0002539500000000 ] - [ -0.0000012500000000, 0.0000005200000000, -0.0002541500000000 ] - [ -0.0000006800000000, 0.0000000500000000, -0.0007769400000000 ] - [ -0.0000011500000000, 0.0000000600000000, -0.0007769400000000 ] - [ -0.0000009700000000, 0.0000002200000000, -0.0007776800000000 ] - [ -0.0000009600000000, -0.0000001100000000, -0.0007762100000000 ] - [ 0.0059696800000000, -0.0033360600000000, 0.0084146600000000 ] - [ 0.0057199300000000, 0.0031481500000000, -0.0074454900000000 ] - [ 0.0002302900000000, -0.0000262900000000, 0.0003227700000000 ] - [ -0.0009374800000000, -0.0000032700000000, 0.0003469000000000 ] - [ -0.0000492200000000, 0.0000000000000000, -0.0004368700000000 ] - [ -0.0001466000000000, -0.0000001300000000, -0.0004350500000000 ] - [ 0.0000043900000000, -0.0000312000000000, -0.0004004100000000 ] - [ 0.0000043000000000, 0.0000306500000000, -0.0004717000000000 ] - [ -0.0000001900000000, 0.0000010000000000, 0.0007403900000000 ] - [ -0.0000002100000000, -0.0000010100000000, 0.0007488300000000 ] - [ 0.0000015500000000, -0.0000000100000000, 0.0007446200000000 ] - [ -0.0000017300000000, -0.0000000100000000, 0.0007446100000000 ] - [ 0.0000062600000000, -0.0000001300000000, 0.0005264400000000 ] - [ 0.0000052700000000, 0.0000001500000000, 0.0005269700000000 ] - [ -0.0000226200000000, -0.0000160100000000, 0.0006860500000000 ] - [ -0.0000220700000000, 0.0000158700000000, 0.0003671400000000 ] - [ -0.0000304700000000, 0.0000001600000000, 0.0005436700000000 ] - [ -0.0000844200000000, -0.0000000200000000, 0.0005433700000000 ] - [ 0.0000176000000000, 0.0000584900000000, 0.0002897700000000 ] - [ 0.0000173200000000, -0.0000591200000000, 0.0007976100000000 ] - [ 0.0002133300000000, 0.0000261200000000, -0.0003453600000000 ] - [ -0.0009369100000000, 0.0000033400000000, -0.0003694900000000 ] - [ 0.0056178000000000, -0.0030989200000000, 0.0074043300000000 ] - [ 0.0058674900000000, 0.0032869000000000, -0.0084179200000000 ] - [ -0.0000004600000000, 0.0000000400000000, 0.0007049800000000 ] - [ -0.0000004700000000, -0.0000002700000000, 0.0007063700000000 ] - [ -0.0000001900000000, -0.0000001100000000, 0.0007056700000000 ] - [ -0.0000006400000000, -0.0000001200000000, 0.0007056800000000 ] - [ -0.0000007000000000, 0.0000002300000000, 0.0003848100000000 ] - [ -0.0000007000000000, -0.0000000400000000, 0.0003843600000000 ] - [ -0.0000004700000000, 0.0000001100000000, 0.0003845800000000 ] - [ -0.0000008400000000, 0.0000001000000000, 0.0003845700000000 ] - [ 0.0000021600000000, 0.0000003200000000, -0.0001390900000000 ] - [ -0.0000031800000000, 0.0000003100000000, -0.0001390600000000 ] - [ -0.0000005300000000, 0.0000018800000000, -0.0001422500000000 ] - [ -0.0000005400000000, -0.0000012300000000, -0.0001358900000000 ] - [ -0.0000003300000000, 0.0000000700000000, 0.0008526200000000 ] - [ -0.0000003200000000, -0.0000002200000000, 0.0008527900000000 ] - [ -0.0000000700000000, -0.0000000800000000, 0.0008527000000000 ] - [ 0.0000001300000000, -0.0000000800000000, 0.0008527100000000 ] - [ -0.0000012600000000, 0.0000005900000000, -0.0005679600000000 ] - [ -0.0000024400000000, 0.0000001400000000, -0.0005681700000000 ] - [ 0.0000002700000000, -0.0000008900000000, -0.0005627400000000 ] - [ -0.0000000400000000, 0.0000010100000000, -0.0005730200000000 ] - [ 0.0000002700000000, -0.0000018300000000, 0.0004393100000000 ] - [ 0.0000006000000000, 0.0000014200000000, 0.0004216800000000 ] - [ -0.0000021100000000, -0.0000007400000000, 0.0004306000000000 ] - [ -0.0000006000000000, -0.0000002800000000, 0.0004307800000000 ] - [ -0.0001746300000000, -0.0000001300000000, -0.0002501500000000 ] - [ 0.0002051600000000, -0.0000000400000000, -0.0002505000000000 ] - [ -0.0000040200000000, -0.0000986900000000, -0.0002534000000000 ] - [ -0.0000038200000000, 0.0000984400000000, -0.0002472800000000 ] - [ -0.0000004400000000, 0.0000001100000000, -0.0007014000000000 ] - [ -0.0000008100000000, 0.0000001200000000, -0.0007013800000000 ] - [ -0.0000006800000000, 0.0000002400000000, -0.0007011000000000 ] - [ -0.0000006600000000, -0.0000000200000000, -0.0007016900000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0004176200000000 ] - [ 0.0000000000000000, 0.0000000600000000, 0.0004183000000000 ] - [ -0.0000000500000000, -0.0000000300000000, 0.0004183000000000 ] - [ 0.0000000500000000, -0.0000000300000000, 0.0004183000000000 ] - [ 0.0000000000000000, -0.0000001900000000, 0.0004436600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004431300000000 ] - [ -0.0000001600000000, 0.0000000900000000, 0.0004436600000000 ] - [ 0.0000001600000000, 0.0000000900000000, 0.0004436600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002990600000000 ] - [ 0.0000000000000000, 0.0000029400000000, 0.0002969100000000 ] - [ -0.0000025400000000, -0.0000014700000000, 0.0002969100000000 ] - [ 0.0000025400000000, -0.0000014700000000, 0.0002969100000000 ] - [ -0.0000619400000000, 0.0000357600000000, 0.0002406800000000 ] - [ 0.0000619400000000, 0.0000357600000000, 0.0002406800000000 ] - [ 0.0000000000000000, -0.0000715200000000, 0.0002406800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001022000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001053300000000 ] - [ 0.0000000000000000, 0.0000029500000000, -0.0001075900000000 ] - [ -0.0000025600000000, -0.0000014800000000, -0.0001075900000000 ] - [ 0.0000025600000000, -0.0000014800000000, -0.0001075900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000295000000000 ] - [ 0.0000000000000000, 0.0000000500000000, 0.0000328100000000 ] - [ -0.0000000400000000, -0.0000000300000000, 0.0000328100000000 ] - [ 0.0000000400000000, -0.0000000300000000, 0.0000328100000000 ] - [ -0.0002366700000000, 0.0001366400000000, 0.0000140100000000 ] - [ 0.0002366700000000, 0.0001366400000000, 0.0000140100000000 ] - [ 0.0000000000000000, -0.0002732900000000, 0.0000140100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001243100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0329018500000000 ] - [ 0.0000000000000000, 0.0047154100000000, -0.0093075200000000 ] - [ -0.0040836700000000, -0.0023577100000000, -0.0093075200000000 ] - [ 0.0040836700000000, -0.0023577100000000, -0.0093075200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004101800000000 ] - [ 0.0000000000000000, -0.0000000500000000, -0.0004094700000000 ] - [ 0.0000000500000000, 0.0000000300000000, -0.0004094700000000 ] - [ -0.0000000500000000, 0.0000000300000000, -0.0004094700000000 ] - [ 0.0000000000000000, -0.0000008500000000, -0.0009343400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009338200000000 ] - [ -0.0000007400000000, 0.0000004300000000, -0.0009343400000000 ] - [ 0.0000007400000000, 0.0000004300000000, -0.0009343400000000 ] - [ 0.0062605600000000, -0.0036145300000000, 0.0093903600000000 ] - [ -0.0062605600000000, -0.0036145300000000, 0.0093903600000000 ] - [ 0.0000000000000000, 0.0072290700000000, 0.0093903600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032701600000000 ] - [ 0.0000000000000000, -0.0000152800000000, -0.0004458800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007869200000000 ] - [ -0.0000132300000000, 0.0000076400000000, -0.0004458800000000 ] - [ 0.0000132300000000, 0.0000076400000000, -0.0004458800000000 ] - [ -0.0000007700000000, 0.0000004500000000, 0.0005875900000000 ] - [ 0.0000007700000000, 0.0000004500000000, 0.0005875900000000 ] - [ 0.0000000000000000, -0.0000008900000000, 0.0005875900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005920600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004924500000000 ] - [ 0.0000000000000000, -0.0000566900000000, 0.0003250200000000 ] - [ 0.0000491000000000, 0.0000283500000000, 0.0003250200000000 ] - [ -0.0000491000000000, 0.0000283500000000, 0.0003250200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003809000000000 ] - [ 0.0000000000000000, -0.0000127800000000, 0.0004971600000000 ] - [ 0.0000110700000000, 0.0000063900000000, 0.0004971600000000 ] - [ -0.0000110700000000, 0.0000063900000000, 0.0004971600000000 ] - [ 0.0000000000000000, 0.0068745900000000, 0.0085712600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025487900000000 ] - [ 0.0059535700000000, -0.0034373000000000, 0.0085712600000000 ] - [ -0.0059535700000000, -0.0034373000000000, 0.0085712600000000 ] - [ -0.0000007100000000, 0.0000004100000000, 0.0005496900000000 ] - [ 0.0000007100000000, 0.0000004100000000, 0.0005496900000000 ] - [ 0.0000000000000000, -0.0000008200000000, 0.0005496900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005501900000000 ] - [ 0.0000002800000000, -0.0000001600000000, 0.0002279400000000 ] - [ -0.0000002800000000, -0.0000001600000000, 0.0002279400000000 ] - [ 0.0000000000000000, 0.0000003200000000, 0.0002279400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002296500000000 ] - [ 0.0000000000000000, -0.0000000800000000, -0.0002951900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002920800000000 ] - [ -0.0000000700000000, 0.0000000400000000, -0.0002951900000000 ] - [ 0.0000000700000000, 0.0000000400000000, -0.0002951900000000 ] - [ 0.0000000100000000, 0.0000000000000000, 0.0006959700000000 ] - [ -0.0000000100000000, 0.0000000000000000, 0.0006959700000000 ] - [ 0.0000000000000000, 0.0000000100000000, 0.0006959700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006974600000000 ] - [ 0.0000000000000000, -0.0000004000000000, -0.0007249000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007258400000000 ] - [ -0.0000003500000000, 0.0000002000000000, -0.0007249000000000 ] - [ 0.0000003500000000, 0.0000002000000000, -0.0007249000000000 ] - [ -0.0000008200000000, 0.0000004800000000, 0.0002768800000000 ] - [ 0.0000008200000000, 0.0000004800000000, 0.0002768800000000 ] - [ 0.0000000000000000, -0.0000009500000000, 0.0002768800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002709700000000 ] - [ 0.0000000000000000, -0.0000814900000000, -0.0003979500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004469900000000 ] - [ -0.0000705700000000, 0.0000407400000000, -0.0003979500000000 ] - [ 0.0000705700000000, 0.0000407400000000, -0.0003979500000000 ] - [ 0.0000000000000000, 0.0000003400000000, -0.0008586400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008570300000000 ] - [ 0.0000002900000000, -0.0000001700000000, -0.0008586400000000 ] - [ -0.0000002900000000, -0.0000001700000000, -0.0008586400000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002045800000000 ] - [ 0.0000000000000000, -0.0000000500000000, -0.0002058100000000 ] - [ 0.0000000500000000, 0.0000000300000000, -0.0002058100000000 ] - [ -0.0000000500000000, 0.0000000300000000, -0.0002058100000000 ] - [ 0.0000000000000000, 0.0000001900000000, -0.0001821600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001815900000000 ] - [ 0.0000001700000000, -0.0000001000000000, -0.0001821600000000 ] - [ -0.0000001700000000, -0.0000001000000000, -0.0001821600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003349000000000 ] - [ 0.0000000000000000, -0.0000029500000000, -0.0003333000000000 ] - [ 0.0000025600000000, 0.0000014800000000, -0.0003333000000000 ] - [ -0.0000025600000000, 0.0000014800000000, -0.0003333000000000 ] - [ 0.0000640600000000, -0.0000369800000000, -0.0004772100000000 ] - [ -0.0000640600000000, -0.0000369800000000, -0.0004772100000000 ] - [ 0.0000000000000000, 0.0000739700000000, -0.0004772100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003375700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007353300000000 ] - [ 0.0000000000000000, -0.0000029900000000, -0.0007343300000000 ] - [ 0.0000025900000000, 0.0000014900000000, -0.0007343300000000 ] - [ -0.0000025900000000, 0.0000014900000000, -0.0007343300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005926400000000 ] - [ 0.0000000000000000, -0.0000001300000000, -0.0005968700000000 ] - [ 0.0000001100000000, 0.0000000600000000, -0.0005968700000000 ] - [ -0.0000001100000000, 0.0000000600000000, -0.0005968700000000 ] - [ 0.0002384000000000, -0.0001376400000000, -0.0007036800000000 ] - [ -0.0002384000000000, -0.0001376400000000, -0.0007036800000000 ] - [ 0.0000000000000000, 0.0002752800000000, -0.0007036800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005631900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0326706300000000 ] - [ 0.0000000000000000, -0.0047153300000000, 0.0091136500000000 ] - [ 0.0040835900000000, 0.0023576600000000, 0.0091136500000000 ] - [ -0.0040835900000000, 0.0023576600000000, 0.0091136500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000974500000000 ] - [ 0.0000000000000000, 0.0000000400000000, -0.0000983600000000 ] - [ -0.0000000300000000, -0.0000000200000000, -0.0000983600000000 ] - [ 0.0000000300000000, -0.0000000200000000, -0.0000983600000000 ] - [ 0.0000000000000000, 0.0000008700000000, -0.0006194800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006200100000000 ] - [ 0.0000007500000000, -0.0000004300000000, -0.0006194800000000 ] - [ -0.0000007500000000, -0.0000004300000000, -0.0006194800000000 ] - [ -0.0060630800000000, 0.0035005200000000, -0.0086075300000000 ] - [ 0.0060630800000000, 0.0035005200000000, -0.0086075300000000 ] - [ 0.0000000000000000, -0.0070010400000000, -0.0086075300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025786700000000 ] - [ 0.0000000000000000, 0.0000156400000000, -0.0004266700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000808700000000 ] - [ 0.0000135400000000, -0.0000078200000000, -0.0004266700000000 ] - [ -0.0000135400000000, -0.0000078200000000, -0.0004266700000000 ] - [ 0.0000008000000000, -0.0000004600000000, 0.0009038100000000 ] - [ -0.0000008000000000, -0.0000004600000000, 0.0009038100000000 ] - [ 0.0000000000000000, 0.0000009200000000, 0.0009038100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008993800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005622300000000 ] - [ 0.0000000000000000, 0.0000575700000000, 0.0007298100000000 ] - [ -0.0000498600000000, -0.0000287800000000, 0.0007298100000000 ] - [ 0.0000498600000000, -0.0000287800000000, 0.0007298100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007093800000000 ] - [ 0.0000000000000000, 0.0000122500000000, 0.0005899800000000 ] - [ -0.0000106100000000, -0.0000061200000000, 0.0005899800000000 ] - [ 0.0000106100000000, -0.0000061200000000, 0.0005899800000000 ] - [ 0.0000000000000000, -0.0071020600000000, -0.0093969500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032828500000000 ] - [ -0.0061505700000000, 0.0035510300000000, -0.0093969500000000 ] - [ 0.0061505700000000, 0.0035510300000000, -0.0093969500000000 ] - [ 0.0000007200000000, -0.0000004200000000, 0.0008639500000000 ] - [ -0.0000007200000000, -0.0000004200000000, 0.0008639500000000 ] - [ 0.0000000000000000, 0.0000008300000000, 0.0008639500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008634600000000 ] - [ -0.0000002700000000, 0.0000001600000000, 0.0005434100000000 ] - [ 0.0000002700000000, 0.0000001600000000, 0.0005434100000000 ] - [ 0.0000000000000000, -0.0000003100000000, 0.0005434100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005416900000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0000175900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000144600000000 ] - [ 0.0000000400000000, -0.0000000200000000, 0.0000175900000000 ] - [ -0.0000000400000000, -0.0000000200000000, 0.0000175900000000 ] - [ -0.0000000300000000, 0.0000000200000000, 0.0010109800000000 ] - [ 0.0000000300000000, 0.0000000200000000, 0.0010109800000000 ] - [ 0.0000000000000000, -0.0000000400000000, 0.0010109800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010095100000000 ] - [ 0.0000000000000000, 0.0000007600000000, -0.0004112600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004109800000000 ] - [ 0.0000006600000000, -0.0000003800000000, -0.0004112600000000 ] - [ -0.0000006600000000, -0.0000003800000000, -0.0004112600000000 ] - [ 0.0000004800000000, -0.0000002800000000, 0.0005856100000000 ] - [ -0.0000004800000000, -0.0000002800000000, 0.0005856100000000 ] - [ 0.0000000000000000, 0.0000005600000000, 0.0005856100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005921800000000 ] - [ 0.0000000000000000, 0.0000820900000000, -0.0001023600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000546100000000 ] - [ 0.0000710900000000, -0.0000410500000000, -0.0001023600000000 ] - [ -0.0000710900000000, -0.0000410500000000, -0.0001023600000000 ] - [ 0.0000000000000000, -0.0000003600000000, -0.0005436500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005452600000000 ] - [ -0.0000003100000000, 0.0000001800000000, -0.0005436500000000 ] - [ 0.0000003100000000, 0.0000001800000000, -0.0005436500000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000284700000000, -0.0000000300000000, 0.0001056500000000 ] - [ -0.0000837000000000, -0.0000007900000000, 0.0001054500000000 ] - [ 0.0000192700000000, 0.0000598900000000, 0.0001172700000000 ] - [ 0.0000177900000000, -0.0000581200000000, 0.0000950500000000 ] - [ 0.0002300300000000, 0.0000132800000000, 0.0001222400000000 ] - [ -0.0009384700000000, 0.0000061700000000, 0.0001254000000000 ] - [ 0.0057154000000000, -0.0031434800000000, -0.0058947100000000 ] - [ 0.0059754200000000, 0.0033418300000000, 0.0064311200000000 ] - [ 0.0000068900000000, -0.0000002000000000, -0.0000180400000000 ] - [ 0.0000059500000000, 0.0000000500000000, -0.0000178100000000 ] - [ -0.0000213600000000, -0.0000155700000000, 0.0000315000000000 ] - [ -0.0000209700000000, 0.0000157400000000, -0.0000676400000000 ] - [ -0.0000002000000000, -0.0000019300000000, -0.0001165200000000 ] - [ -0.0000002100000000, 0.0000020800000000, -0.0001192000000000 ] - [ -0.0000036800000000, 0.0000000500000000, -0.0001178700000000 ] - [ 0.0000035400000000, 0.0000000500000000, -0.0001178700000000 ] - [ 0.0000001300000000, -0.0000000100000000, -0.0004208100000000 ] - [ 0.0000000900000000, 0.0000000000000000, -0.0004208000000000 ] - [ -0.0000002200000000, -0.0000001600000000, -0.0004208200000000 ] - [ -0.0000002100000000, 0.0000001900000000, -0.0004208000000000 ] - [ -0.0000028200000000, -0.0000000400000000, -0.0002818800000000 ] - [ 0.0000017400000000, -0.0000000600000000, -0.0002819000000000 ] - [ 0.0000004700000000, -0.0000007600000000, -0.0002826700000000 ] - [ 0.0000004300000000, 0.0000007300000000, -0.0002811600000000 ] - [ -0.0000002600000000, -0.0000001300000000, -0.0003445800000000 ] - [ -0.0000002100000000, 0.0000001500000000, -0.0003440200000000 ] - [ -0.0000004800000000, 0.0000000200000000, -0.0003442800000000 ] - [ -0.0000006900000000, 0.0000000400000000, -0.0003443000000000 ] - [ 0.0000001500000000, -0.0000000200000000, -0.0000969000000000 ] - [ -0.0000004300000000, -0.0000000500000000, -0.0000969100000000 ] - [ -0.0000007400000000, -0.0000002100000000, -0.0000969300000000 ] - [ -0.0000007800000000, 0.0000001700000000, -0.0000968900000000 ] - [ -0.0273760500000000, -0.0001849300000000, -0.0005179600000000 ] - [ 0.0106527400000000, -0.0000056800000000, -0.0002571300000000 ] - [ 0.0019641100000000, -0.0050066500000000, -0.0001315800000000 ] - [ 0.0019740400000000, 0.0050195900000000, -0.0003748600000000 ] - [ -0.0000076400000000, 0.0000000400000000, -0.0007770100000000 ] - [ 0.0001265100000000, 0.0000001200000000, -0.0007775000000000 ] - [ -0.0000165100000000, 0.0000051500000000, -0.0007772300000000 ] - [ -0.0000161800000000, -0.0000049100000000, -0.0007758800000000 ] - [ 0.0000004300000000, -0.0000000700000000, 0.0003462100000000 ] - [ 0.0000004300000000, -0.0000002900000000, 0.0003465500000000 ] - [ 0.0000006200000000, -0.0000001900000000, 0.0003463700000000 ] - [ -0.0000002000000000, -0.0000001900000000, 0.0003463900000000 ] - [ -0.0000004700000000, -0.0000001500000000, -0.0004355500000000 ] - [ -0.0000000200000000, -0.0000001400000000, -0.0004355500000000 ] - [ 0.0000000300000000, -0.0000004400000000, -0.0004354800000000 ] - [ 0.0000000400000000, 0.0000001500000000, -0.0004356300000000 ] - [ 0.0000001300000000, -0.0000000100000000, 0.0007444800000000 ] - [ 0.0000001300000000, 0.0000000200000000, 0.0007450000000000 ] - [ 0.0000001000000000, -0.0000000100000000, 0.0007447400000000 ] - [ 0.0000002900000000, 0.0000000000000000, 0.0007447400000000 ] - [ 0.0000002000000000, -0.0000000300000000, 0.0005267300000000 ] - [ -0.0000013900000000, -0.0000000200000000, 0.0005267500000000 ] - [ -0.0000012400000000, 0.0000000600000000, 0.0005267200000000 ] - [ -0.0000012400000000, -0.0000001200000000, 0.0005267600000000 ] - [ 0.0000007700000000, 0.0000000300000000, 0.0005433900000000 ] - [ -0.0000011200000000, 0.0000000200000000, 0.0005433800000000 ] - [ -0.0000002000000000, 0.0000005600000000, 0.0005446100000000 ] - [ -0.0000002000000000, -0.0000005000000000, 0.0005421700000000 ] - [ -0.0000003700000000, 0.0000001800000000, -0.0003684100000000 ] - [ -0.0000004800000000, 0.0000001800000000, -0.0003684100000000 ] - [ -0.0000002600000000, 0.0000001100000000, -0.0003684400000000 ] - [ -0.0000002600000000, 0.0000002400000000, -0.0003683800000000 ] - [ 0.0004725000000000, -0.0002835800000000, 0.0000691600000000 ] - [ 0.0004673700000000, 0.0002766200000000, 0.0013288300000000 ] - [ -0.0000151800000000, -0.0000004200000000, 0.0007063600000000 ] - [ -0.0000217500000000, -0.0000006300000000, 0.0007066300000000 ] - [ 0.0018057500000000, -0.0022301700000000, 0.0039016500000000 ] - [ 0.0018104600000000, 0.0022075500000000, -0.0031051100000000 ] - [ -0.0020349900000000, -0.0000056900000000, 0.0003789400000000 ] - [ -0.0007419600000000, -0.0000048900000000, 0.0003832400000000 ] - [ -0.0000068900000000, 0.0000002600000000, -0.0001386700000000 ] - [ 0.0001257700000000, 0.0000001200000000, -0.0001393500000000 ] - [ -0.0000157900000000, 0.0000053700000000, -0.0001270600000000 ] - [ -0.0000157800000000, -0.0000049000000000, -0.0001509500000000 ] - [ 0.0000022900000000, -0.0000013100000000, 0.0008553900000000 ] - [ 0.0000023200000000, 0.0000012000000000, 0.0008502500000000 ] - [ 0.0000001300000000, -0.0000000800000000, 0.0008528500000000 ] - [ -0.0000019500000000, -0.0000000700000000, 0.0008528600000000 ] - [ -0.0000003400000000, 0.0000001500000000, -0.0005679800000000 ] - [ -0.0000006800000000, 0.0000001600000000, -0.0005679800000000 ] - [ -0.0000002300000000, 0.0000001000000000, -0.0005679500000000 ] - [ -0.0000002400000000, 0.0000002200000000, -0.0005680200000000 ] - [ 0.0000090400000000, -0.0000301500000000, 0.0003992600000000 ] - [ 0.0000088800000000, 0.0000297300000000, 0.0004627300000000 ] - [ -0.0000429100000000, -0.0000003200000000, 0.0004309700000000 ] - [ 0.0000276900000000, -0.0000003700000000, 0.0004310200000000 ] - [ 0.0000000400000000, -0.0000000900000000, -0.0002501500000000 ] - [ -0.0000002000000000, -0.0000001000000000, -0.0002501500000000 ] - [ -0.0000002400000000, 0.0000000800000000, -0.0002463100000000 ] - [ -0.0000002700000000, -0.0000002700000000, -0.0002539600000000 ] - [ 0.0000002100000000, 0.0000001000000000, -0.0007012100000000 ] - [ -0.0000013500000000, 0.0000001200000000, -0.0007011900000000 ] - [ -0.0000009200000000, 0.0000007700000000, -0.0007015900000000 ] - [ -0.0000009100000000, -0.0000005200000000, -0.0007008300000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0000570600000000 ] - [ 0.0000000000000000, 0.0002907200000000, 0.0000600900000000 ] - [ -0.0002517700000000, -0.0001453600000000, 0.0000600900000000 ] - [ 0.0002517700000000, -0.0001453600000000, 0.0000600900000000 ] - [ 0.0000000000000000, -0.0092933400000000, 0.0091746300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030598600000000 ] - [ -0.0080482700000000, 0.0046466700000000, 0.0091746300000000 ] - [ 0.0080482700000000, 0.0046466700000000, 0.0091746300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000508800000000 ] - [ 0.0000000000000000, -0.0001841500000000, -0.0002203200000000 ] - [ 0.0001594700000000, 0.0000920700000000, -0.0002203200000000 ] - [ -0.0001594700000000, 0.0000920700000000, -0.0002203200000000 ] - [ -0.0000010900000000, 0.0000006300000000, -0.0002728000000000 ] - [ 0.0000010900000000, 0.0000006300000000, -0.0002728000000000 ] - [ 0.0000000000000000, -0.0000012600000000, -0.0002728000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002741000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005759900000000 ] - [ 0.0000000000000000, -0.0000003500000000, -0.0005758300000000 ] - [ 0.0000003000000000, 0.0000001700000000, -0.0005758300000000 ] - [ -0.0000003000000000, 0.0000001700000000, -0.0005758300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004459400000000 ] - [ 0.0000000000000000, 0.0000053000000000, -0.0004346900000000 ] - [ -0.0000045900000000, -0.0000026500000000, -0.0004346900000000 ] - [ 0.0000045900000000, -0.0000026500000000, -0.0004346900000000 ] - [ -0.0000003600000000, 0.0000002100000000, -0.0004995400000000 ] - [ 0.0000003600000000, 0.0000002100000000, -0.0004995400000000 ] - [ 0.0000000000000000, -0.0000004100000000, -0.0004995400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004993000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002521100000000 ] - [ 0.0000000000000000, -0.0000000800000000, -0.0002520800000000 ] - [ 0.0000000700000000, 0.0000000400000000, -0.0002520800000000 ] - [ -0.0000000700000000, 0.0000000400000000, -0.0002520800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0373317500000000 ] - [ 0.0000000000000000, -0.0001369800000000, -0.0020231100000000 ] - [ 0.0001186300000000, 0.0000684900000000, -0.0020231100000000 ] - [ -0.0001186300000000, 0.0000684900000000, -0.0020231100000000 ] - [ 0.0000000000000000, -0.0000143800000000, -0.0007862900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004016100000000 ] - [ -0.0000124600000000, 0.0000071900000000, -0.0007862900000000 ] - [ 0.0000124600000000, 0.0000071900000000, -0.0007862900000000 ] - [ -0.0000001000000000, 0.0000000600000000, 0.0004240900000000 ] - [ 0.0000001000000000, 0.0000000600000000, 0.0004240900000000 ] - [ 0.0000000000000000, -0.0000001200000000, 0.0004240900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004234500000000 ] - [ 0.0000000000000000, 0.0000000100000000, -0.0003580500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003585200000000 ] - [ 0.0000000100000000, -0.0000000100000000, -0.0003580500000000 ] - [ -0.0000000100000000, -0.0000000100000000, -0.0003580500000000 ] - [ -0.0000002000000000, 0.0000001200000000, 0.0008235100000000 ] - [ 0.0000002000000000, 0.0000001200000000, 0.0008235100000000 ] - [ 0.0000000000000000, -0.0000002300000000, 0.0008235100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008236900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006046400000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0006037100000000 ] - [ -0.0000000400000000, -0.0000000200000000, 0.0006037100000000 ] - [ 0.0000000400000000, -0.0000000200000000, 0.0006037100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006206800000000 ] - [ 0.0000000000000000, -0.0000014000000000, 0.0006209400000000 ] - [ 0.0000012100000000, 0.0000007000000000, 0.0006209400000000 ] - [ -0.0000012100000000, 0.0000007000000000, 0.0006209400000000 ] - [ 0.0000000000000000, -0.0000000600000000, -0.0002909200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002914700000000 ] - [ -0.0000000500000000, 0.0000000300000000, -0.0002909200000000 ] - [ 0.0000000500000000, 0.0000000300000000, -0.0002909200000000 ] - [ -0.0004790900000000, 0.0002766000000000, 0.0013535000000000 ] - [ 0.0004790900000000, 0.0002766000000000, 0.0013535000000000 ] - [ 0.0000000000000000, -0.0005532100000000, 0.0013535000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006284000000000 ] - [ 0.0035093500000000, -0.0020261200000000, 0.0041788300000000 ] - [ -0.0035093500000000, -0.0020261200000000, 0.0041788300000000 ] - [ 0.0000000000000000, 0.0040522500000000, 0.0041788300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005915400000000 ] - [ 0.0000000000000000, 0.0000006700000000, -0.0001493800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002368900000000 ] - [ 0.0000005800000000, -0.0000003300000000, -0.0001493800000000 ] - [ -0.0000005800000000, -0.0000003300000000, -0.0001493800000000 ] - [ 0.0000008600000000, -0.0000005000000000, 0.0009338600000000 ] - [ -0.0000008600000000, -0.0000005000000000, 0.0009338600000000 ] - [ 0.0000000000000000, 0.0000010000000000, 0.0009338600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009236600000000 ] - [ 0.0000000000000000, -0.0000000200000000, -0.0004910000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004921000000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0004910000000000 ] - [ 0.0000000200000000, 0.0000000100000000, -0.0004910000000000 ] - [ -0.0000646900000000, 0.0000373500000000, 0.0005220500000000 ] - [ 0.0000646900000000, 0.0000373500000000, 0.0005220500000000 ] - [ 0.0000000000000000, -0.0000747000000000, 0.0005220500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004624200000000 ] - [ 0.0000000000000000, -0.0000010900000000, -0.0001708000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001770600000000 ] - [ -0.0000009500000000, 0.0000005500000000, -0.0001708000000000 ] - [ 0.0000009500000000, 0.0000005500000000, -0.0001708000000000 ] - [ 0.0000000000000000, 0.0000051800000000, -0.0006236700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006244800000000 ] - [ 0.0000044800000000, -0.0000025900000000, -0.0006236700000000 ] - [ -0.0000044800000000, -0.0000025900000000, -0.0006236700000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0002688300000000 ] - [ 0.0000000000000000, -0.0002982900000000, 0.0001505100000000 ] - [ 0.0002583200000000, 0.0001491400000000, 0.0001505100000000 ] - [ -0.0002583200000000, 0.0001491400000000, 0.0001505100000000 ] - [ 0.0000000000000000, 0.0090154700000000, -0.0088207100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027911500000000 ] - [ 0.0078076300000000, -0.0045077400000000, -0.0088207100000000 ] - [ -0.0078076300000000, -0.0045077400000000, -0.0088207100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000168000000000 ] - [ 0.0000000000000000, 0.0001829800000000, 0.0001849000000000 ] - [ -0.0001584600000000, -0.0000914900000000, 0.0001849000000000 ] - [ 0.0001584600000000, -0.0000914900000000, 0.0001849000000000 ] - [ 0.0000010600000000, -0.0000006100000000, 0.0000379700000000 ] - [ -0.0000010600000000, -0.0000006100000000, 0.0000379700000000 ] - [ 0.0000000000000000, 0.0000012200000000, 0.0000379700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000392600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002646400000000 ] - [ 0.0000000000000000, 0.0000002900000000, -0.0002647400000000 ] - [ -0.0000002500000000, -0.0000001500000000, -0.0002647400000000 ] - [ 0.0000002500000000, -0.0000001500000000, -0.0002647400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001170300000000 ] - [ 0.0000000000000000, -0.0000055400000000, -0.0001281900000000 ] - [ 0.0000048000000000, 0.0000027700000000, -0.0001281900000000 ] - [ -0.0000048000000000, 0.0000027700000000, -0.0001281900000000 ] - [ 0.0000003600000000, -0.0000002100000000, -0.0001880700000000 ] - [ -0.0000003600000000, -0.0000002100000000, -0.0001880700000000 ] - [ 0.0000000000000000, 0.0000004100000000, -0.0001880700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001883000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000593500000000 ] - [ 0.0000000000000000, 0.0000000700000000, 0.0000594200000000 ] - [ -0.0000000600000000, -0.0000000400000000, 0.0000594200000000 ] - [ 0.0000000600000000, -0.0000000400000000, 0.0000594200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0363683100000000 ] - [ 0.0000000000000000, 0.0001439400000000, 0.0015244400000000 ] - [ -0.0001246600000000, -0.0000719700000000, 0.0015244400000000 ] - [ 0.0001246600000000, -0.0000719700000000, 0.0015244400000000 ] - [ 0.0000000000000000, 0.0000148200000000, -0.0007670200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011616700000000 ] - [ 0.0000128400000000, -0.0000074100000000, -0.0007670200000000 ] - [ -0.0000128400000000, -0.0000074100000000, -0.0007670200000000 ] - [ 0.0000001000000000, -0.0000000600000000, 0.0002696000000000 ] - [ -0.0000001000000000, -0.0000000600000000, 0.0002696000000000 ] - [ 0.0000000000000000, 0.0000001200000000, 0.0002696000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002702300000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0005146000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005140900000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0005146000000000 ] - [ 0.0000000300000000, 0.0000000200000000, -0.0005146000000000 ] - [ 0.0000002000000000, -0.0000001100000000, 0.0006675300000000 ] - [ -0.0000002000000000, -0.0000001100000000, 0.0006675300000000 ] - [ 0.0000000000000000, 0.0000002300000000, 0.0006675300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006673400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004499400000000 ] - [ 0.0000000000000000, -0.0000000300000000, 0.0004508500000000 ] - [ 0.0000000200000000, 0.0000000100000000, 0.0004508500000000 ] - [ -0.0000000200000000, 0.0000000100000000, 0.0004508500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004670000000000 ] - [ 0.0000000000000000, 0.0000013800000000, 0.0004668000000000 ] - [ -0.0000012000000000, -0.0000006900000000, 0.0004668000000000 ] - [ 0.0000012000000000, -0.0000006900000000, 0.0004668000000000 ] - [ 0.0000000000000000, 0.0000000600000000, -0.0004472800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004467400000000 ] - [ 0.0000000500000000, -0.0000000300000000, -0.0004472800000000 ] - [ -0.0000000500000000, -0.0000000300000000, -0.0004472800000000 ] - [ 0.0004945400000000, -0.0002855200000000, 0.0000394400000000 ] - [ -0.0004945400000000, -0.0002855200000000, 0.0000394400000000 ] - [ 0.0000000000000000, 0.0005710400000000, 0.0000394400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007889200000000 ] - [ -0.0034580600000000, 0.0019965100000000, -0.0033438000000000 ] - [ 0.0034580600000000, 0.0019965100000000, -0.0033438000000000 ] - [ 0.0000000000000000, -0.0039930200000000, -0.0033438000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013619700000000 ] - [ 0.0000000000000000, -0.0000004900000000, -0.0001303600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005152300000000 ] - [ -0.0000004200000000, 0.0000002400000000, -0.0001303600000000 ] - [ 0.0000004200000000, 0.0000002400000000, -0.0001303600000000 ] - [ -0.0000008900000000, 0.0000005100000000, 0.0007728700000000 ] - [ 0.0000008900000000, 0.0000005100000000, 0.0007728700000000 ] - [ 0.0000000000000000, -0.0000010300000000, 0.0007728700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007833900000000 ] - [ 0.0000000000000000, 0.0000000300000000, -0.0006469600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006458300000000 ] - [ 0.0000000200000000, -0.0000000100000000, -0.0006469600000000 ] - [ -0.0000000200000000, -0.0000000100000000, -0.0006469600000000 ] - [ 0.0000642800000000, -0.0000371100000000, 0.0003408500000000 ] - [ -0.0000642800000000, -0.0000371100000000, 0.0003408500000000 ] - [ 0.0000000000000000, 0.0000742200000000, 0.0003408500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003999400000000 ] - [ 0.0000000000000000, 0.0000011000000000, -0.0003308500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003246100000000 ] - [ 0.0000009500000000, -0.0000005500000000, -0.0003308500000000 ] - [ -0.0000009500000000, -0.0000005500000000, -0.0003308500000000 ] - [ 0.0000000000000000, -0.0000053100000000, -0.0007801600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007793200000000 ] - [ -0.0000046000000000, 0.0000026600000000, -0.0007801600000000 ] - [ 0.0000046000000000, 0.0000026600000000, -0.0007801600000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002276300000000, -0.0000132400000000, 0.0000979400000000 ] - [ -0.0009407500000000, -0.0000062600000000, 0.0001011200000000 ] - [ 0.0059633300000000, -0.0033362900000000, 0.0063988900000000 ] - [ 0.0057033400000000, 0.0031378500000000, -0.0059110900000000 ] - [ 0.0000066800000000, 0.0000001800000000, 0.0001307000000000 ] - [ 0.0000066100000000, -0.0000000700000000, 0.0001309300000000 ] - [ -0.0000209200000000, -0.0000161200000000, 0.0000813300000000 ] - [ -0.0000212800000000, 0.0000158800000000, 0.0001800000000000 ] - [ 0.0000011700000000, -0.0000000400000000, -0.0000179800000000 ] - [ -0.0000009500000000, -0.0000000500000000, -0.0000179900000000 ] - [ -0.0000000400000000, 0.0000006600000000, -0.0000186500000000 ] - [ -0.0000000400000000, -0.0000007200000000, -0.0000173300000000 ] - [ 0.0000000400000000, -0.0000000800000000, -0.0001177500000000 ] - [ 0.0000000400000000, 0.0000002300000000, -0.0001179500000000 ] - [ 0.0000004900000000, 0.0000000600000000, -0.0001178600000000 ] - [ 0.0000003100000000, 0.0000000500000000, -0.0001178600000000 ] - [ 0.0000004900000000, 0.0000000200000000, -0.0004208000000000 ] - [ -0.0000013500000000, 0.0000000200000000, -0.0004208100000000 ] - [ 0.0000012200000000, -0.0000004200000000, -0.0004198900000000 ] - [ 0.0000012800000000, 0.0000001300000000, -0.0004220700000000 ] - [ -0.0000237500000000, -0.0000003200000000, -0.0002828600000000 ] - [ -0.0002375500000000, -0.0000000100000000, -0.0002819100000000 ] - [ -0.0000052300000000, -0.0000109800000000, -0.0002842300000000 ] - [ -0.0000043100000000, 0.0000109300000000, -0.0002808800000000 ] - [ -0.0000001600000000, -0.0000000500000000, -0.0003440900000000 ] - [ -0.0000001300000000, 0.0000000700000000, -0.0003444700000000 ] - [ 0.0000001300000000, 0.0000000200000000, -0.0003442700000000 ] - [ -0.0000000300000000, 0.0000000400000000, -0.0003442800000000 ] - [ -0.0000001200000000, -0.0000000200000000, -0.0000968900000000 ] - [ -0.0000004600000000, -0.0000000500000000, -0.0000969000000000 ] - [ 0.0000001000000000, -0.0000001300000000, -0.0000972100000000 ] - [ 0.0000000700000000, 0.0000001000000000, -0.0000965900000000 ] - [ -0.0000069100000000, 0.0000000700000000, -0.0002535800000000 ] - [ 0.0001274800000000, 0.0000002000000000, -0.0002542800000000 ] - [ -0.0000158500000000, 0.0000052600000000, -0.0002665600000000 ] - [ -0.0000158900000000, -0.0000050900000000, -0.0002412800000000 ] - [ -0.0273547200000000, 0.0001852200000000, -0.0010414100000000 ] - [ 0.0106433800000000, 0.0000053000000000, -0.0007803000000000 ] - [ 0.0019906400000000, -0.0050043200000000, -0.0008973400000000 ] - [ 0.0019806200000000, 0.0049919900000000, -0.0006551800000000 ] - [ 0.0000005500000000, -0.0000003300000000, 0.0003465000000000 ] - [ 0.0000005600000000, -0.0000000300000000, 0.0003462800000000 ] - [ -0.0000000200000000, -0.0000001800000000, 0.0003463900000000 ] - [ 0.0000008200000000, -0.0000001800000000, 0.0003463900000000 ] - [ 0.0000006700000000, -0.0000001400000000, -0.0004355600000000 ] - [ 0.0000003200000000, -0.0000001400000000, -0.0004355600000000 ] - [ 0.0000003300000000, -0.0000001400000000, -0.0004356100000000 ] - [ 0.0000003300000000, -0.0000001400000000, -0.0004355300000000 ] - [ 0.0000015600000000, 0.0000012100000000, 0.0007442900000000 ] - [ 0.0000015700000000, -0.0000011900000000, 0.0007452700000000 ] - [ -0.0000030500000000, 0.0000000000000000, 0.0007447500000000 ] - [ -0.0000005100000000, 0.0000000000000000, 0.0007447500000000 ] - [ -0.0000003000000000, -0.0000000200000000, 0.0005267400000000 ] - [ -0.0000001200000000, -0.0000000200000000, 0.0005267600000000 ] - [ -0.0000003400000000, -0.0000000100000000, 0.0005265400000000 ] - [ -0.0000003400000000, -0.0000000500000000, 0.0005269500000000 ] - [ 0.0000002400000000, 0.0000000300000000, 0.0005434100000000 ] - [ -0.0000005500000000, 0.0000000200000000, 0.0005433900000000 ] - [ 0.0000001600000000, 0.0000000800000000, 0.0005432400000000 ] - [ 0.0000001600000000, -0.0000000200000000, 0.0005435700000000 ] - [ 0.0000000100000000, 0.0000001800000000, -0.0003684200000000 ] - [ -0.0000005000000000, 0.0000001900000000, -0.0003684200000000 ] - [ 0.0000006700000000, 0.0000008600000000, -0.0003684000000000 ] - [ 0.0000006800000000, -0.0000005000000000, -0.0003684400000000 ] - [ 0.0018030200000000, 0.0022322600000000, 0.0042218000000000 ] - [ 0.0018076300000000, -0.0022096800000000, -0.0027829800000000 ] - [ -0.0007386800000000, 0.0000049100000000, 0.0007043600000000 ] - [ -0.0020414400000000, 0.0000056900000000, 0.0007001500000000 ] - [ 0.0000083800000000, 0.0000303600000000, 0.0003527800000000 ] - [ 0.0000082100000000, -0.0000302900000000, 0.0004167100000000 ] - [ 0.0000280800000000, 0.0000002000000000, 0.0003847900000000 ] - [ -0.0000442200000000, 0.0000001400000000, 0.0003847000000000 ] - [ 0.0000026300000000, 0.0000003300000000, -0.0001389900000000 ] - [ -0.0000008000000000, 0.0000003200000000, -0.0001389500000000 ] - [ -0.0000002400000000, 0.0000006500000000, -0.0001399700000000 ] - [ -0.0000002600000000, 0.0000000100000000, -0.0001379700000000 ] - [ 0.0006076000000000, 0.0003519900000000, 0.0002506700000000 ] - [ 0.0006018000000000, -0.0003466200000000, 0.0014418400000000 ] - [ -0.0000149300000000, 0.0000001000000000, 0.0008537700000000 ] - [ -0.0000002900000000, 0.0000002000000000, 0.0008535000000000 ] - [ 0.0000004000000000, 0.0000001600000000, -0.0005679900000000 ] - [ 0.0000009600000000, 0.0000001700000000, -0.0005679900000000 ] - [ -0.0000003800000000, -0.0000006200000000, -0.0005683400000000 ] - [ -0.0000003700000000, 0.0000009300000000, -0.0005676700000000 ] - [ 0.0000001100000000, 0.0000000600000000, 0.0004320700000000 ] - [ 0.0000001300000000, -0.0000006300000000, 0.0004299700000000 ] - [ 0.0000008000000000, -0.0000002900000000, 0.0004310400000000 ] - [ -0.0000004700000000, -0.0000002700000000, 0.0004310200000000 ] - [ 0.0000006800000000, -0.0000000900000000, -0.0002501500000000 ] - [ 0.0000004000000000, -0.0000000900000000, -0.0002501600000000 ] - [ 0.0000003300000000, -0.0000001300000000, -0.0002502100000000 ] - [ 0.0000003200000000, -0.0000000500000000, -0.0002500700000000 ] - [ 0.0000313800000000, -0.0000000300000000, -0.0007011400000000 ] - [ 0.0000275100000000, -0.0000003800000000, -0.0007011400000000 ] - [ -0.0000476900000000, -0.0000429400000000, -0.0006583800000000 ] - [ -0.0000481400000000, 0.0000441600000000, -0.0007447500000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0092983400000000, 0.0091518300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030254200000000 ] - [ 0.0080526000000000, -0.0046491700000000, 0.0091518300000000 ] - [ -0.0080526000000000, -0.0046491700000000, 0.0091518300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000993200000000 ] - [ 0.0000000000000000, 0.0001849300000000, -0.0000691400000000 ] - [ -0.0001601600000000, -0.0000924700000000, -0.0000691400000000 ] - [ 0.0001601600000000, -0.0000924700000000, -0.0000691400000000 ] - [ 0.0000000000000000, -0.0000047500000000, -0.0001762500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001721000000000 ] - [ -0.0000041100000000, 0.0000023700000000, -0.0001762500000000 ] - [ 0.0000041100000000, 0.0000023700000000, -0.0001762500000000 ] - [ 0.0000001400000000, 0.0000000800000000, -0.0002765400000000 ] - [ -0.0000001400000000, 0.0000000800000000, -0.0002765400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002759100000000 ] - [ 0.0000000000000000, -0.0000001600000000, -0.0002765400000000 ] - [ 0.0000000000000000, -0.0000114900000000, -0.0005801000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005701600000000 ] - [ -0.0000099500000000, 0.0000057500000000, -0.0005801000000000 ] - [ 0.0000099500000000, 0.0000057500000000, -0.0005801000000000 ] - [ 0.0000000000000000, 0.0000528900000000, -0.0002984900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006303600000000 ] - [ 0.0000458100000000, -0.0000264500000000, -0.0002984900000000 ] - [ -0.0000458100000000, -0.0000264500000000, -0.0002984900000000 ] - [ -0.0000001500000000, -0.0000000900000000, -0.0005031000000000 ] - [ 0.0000001500000000, -0.0000000900000000, -0.0005031000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005021000000000 ] - [ 0.0000000000000000, 0.0000001800000000, -0.0005031000000000 ] - [ 0.0000000000000000, -0.0000003500000000, -0.0002542000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002540500000000 ] - [ -0.0000003000000000, 0.0000001800000000, -0.0002542000000000 ] - [ 0.0000003000000000, 0.0000001800000000, -0.0002542000000000 ] - [ 0.0000000000000000, -0.0000008000000000, -0.0002674500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001231200000000 ] - [ -0.0000007000000000, 0.0000004000000000, -0.0002674500000000 ] - [ 0.0000007000000000, 0.0000004000000000, -0.0002674500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0378584900000000 ] - [ 0.0000000000000000, 0.0001364400000000, -0.0025326200000000 ] - [ -0.0001181600000000, -0.0000682200000000, -0.0025326200000000 ] - [ 0.0001181600000000, -0.0000682200000000, -0.0025326200000000 ] - [ 0.0000002200000000, 0.0000001300000000, 0.0004274300000000 ] - [ -0.0000002200000000, 0.0000001300000000, 0.0004274300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004267800000000 ] - [ 0.0000000000000000, -0.0000002600000000, 0.0004274300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003583700000000 ] - [ 0.0000000000000000, 0.0000001400000000, -0.0003583800000000 ] - [ -0.0000001200000000, -0.0000000700000000, -0.0003583800000000 ] - [ 0.0000001200000000, -0.0000000700000000, -0.0003583800000000 ] - [ -0.0000003400000000, -0.0000002000000000, 0.0008214500000000 ] - [ 0.0000003400000000, -0.0000002000000000, 0.0008214500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008479400000000 ] - [ 0.0000000000000000, 0.0000003900000000, 0.0008214500000000 ] - [ 0.0000000000000000, -0.0000002700000000, 0.0006075100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006078500000000 ] - [ -0.0000002300000000, 0.0000001400000000, 0.0006075100000000 ] - [ 0.0000002300000000, 0.0000001400000000, 0.0006075100000000 ] - [ 0.0000000000000000, -0.0000001800000000, 0.0006252700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006247000000000 ] - [ -0.0000001600000000, 0.0000000900000000, 0.0006252700000000 ] - [ 0.0000001600000000, 0.0000000900000000, 0.0006252700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002920600000000 ] - [ 0.0000000000000000, -0.0000000100000000, -0.0002926500000000 ] - [ 0.0000000100000000, 0.0000000100000000, -0.0002926500000000 ] - [ -0.0000000100000000, 0.0000000100000000, -0.0002926500000000 ] - [ 0.0035030500000000, 0.0020224900000000, 0.0045032100000000 ] - [ -0.0035030500000000, 0.0020224900000000, 0.0045032100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002662500000000 ] - [ 0.0000000000000000, -0.0040449700000000, 0.0045032100000000 ] - [ -0.0000649200000000, -0.0000374800000000, 0.0004799500000000 ] - [ 0.0000649200000000, -0.0000374800000000, 0.0004799500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004204200000000 ] - [ 0.0000000000000000, 0.0000749700000000, 0.0004799500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000542900000000 ] - [ 0.0000000000000000, 0.0000002200000000, -0.0000649600000000 ] - [ -0.0000001900000000, -0.0000001100000000, -0.0000649600000000 ] - [ 0.0000001900000000, -0.0000001100000000, -0.0000649600000000 ] - [ -0.0005860200000000, -0.0003383400000000, 0.0015106000000000 ] - [ 0.0005860200000000, -0.0003383400000000, 0.0015106000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007773000000000 ] - [ 0.0000000000000000, 0.0006766800000000, 0.0015106000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004932300000000 ] - [ 0.0000000000000000, -0.0000047900000000, -0.0004910000000000 ] - [ 0.0000041500000000, 0.0000023900000000, -0.0004910000000000 ] - [ -0.0000041500000000, 0.0000023900000000, -0.0004910000000000 ] - [ 0.0000017400000000, 0.0000010100000000, 0.0005115100000000 ] - [ -0.0000017400000000, 0.0000010100000000, 0.0005115100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005093900000000 ] - [ 0.0000000000000000, -0.0000020100000000, 0.0005115100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001743100000000 ] - [ 0.0000000000000000, -0.0000000100000000, -0.0001738900000000 ] - [ 0.0000000100000000, 0.0000000100000000, -0.0001738900000000 ] - [ -0.0000000100000000, 0.0000000100000000, -0.0001738900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007120000000000 ] - [ 0.0000000000000000, 0.0001850600000000, -0.0005828600000000 ] - [ -0.0001602700000000, -0.0000925300000000, -0.0005828600000000 ] - [ 0.0001602700000000, -0.0000925300000000, -0.0005828600000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0090207700000000, -0.0088451900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028039100000000 ] - [ -0.0078122200000000, 0.0045103900000000, -0.0088451900000000 ] - [ 0.0078122200000000, 0.0045103900000000, -0.0088451900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001703000000000 ] - [ 0.0000000000000000, -0.0001835200000000, 0.0003372300000000 ] - [ 0.0001589300000000, 0.0000917600000000, 0.0003372300000000 ] - [ -0.0001589300000000, 0.0000917600000000, 0.0003372300000000 ] - [ 0.0000000000000000, 0.0000045300000000, 0.0001415800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001374700000000 ] - [ 0.0000039200000000, -0.0000022700000000, 0.0001415800000000 ] - [ -0.0000039200000000, -0.0000022700000000, 0.0001415800000000 ] - [ -0.0000001100000000, -0.0000000700000000, 0.0000381100000000 ] - [ 0.0000001100000000, -0.0000000700000000, 0.0000381100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000375200000000 ] - [ 0.0000000000000000, 0.0000001300000000, 0.0000381100000000 ] - [ 0.0000000000000000, 0.0000118200000000, -0.0002613600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002713800000000 ] - [ 0.0000102300000000, -0.0000059100000000, -0.0002613600000000 ] - [ -0.0000102300000000, -0.0000059100000000, -0.0002613600000000 ] - [ 0.0000000000000000, -0.0000543700000000, -0.0002668200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000735000000000 ] - [ -0.0000470900000000, 0.0000271800000000, -0.0002668200000000 ] - [ 0.0000470900000000, 0.0000271800000000, -0.0002668200000000 ] - [ 0.0000001100000000, 0.0000000600000000, -0.0001884100000000 ] - [ -0.0000001100000000, 0.0000000600000000, -0.0001884100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001892900000000 ] - [ 0.0000000000000000, -0.0000001300000000, -0.0001884100000000 ] - [ 0.0000000000000000, 0.0000002900000000, 0.0000602000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000601300000000 ] - [ 0.0000002500000000, -0.0000001400000000, 0.0000602000000000 ] - [ -0.0000002500000000, -0.0000001400000000, 0.0000602000000000 ] - [ 0.0000000000000000, 0.0000007700000000, -0.0002499200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006389300000000 ] - [ 0.0000006600000000, -0.0000003800000000, -0.0002499200000000 ] - [ -0.0000006600000000, -0.0000003800000000, -0.0002499200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0358382000000000 ] - [ 0.0000000000000000, -0.0001432700000000, 0.0009815600000000 ] - [ 0.0001240800000000, 0.0000716400000000, 0.0009815600000000 ] - [ -0.0001240800000000, 0.0000716400000000, 0.0009815600000000 ] - [ -0.0000002200000000, -0.0000001300000000, 0.0002725300000000 ] - [ 0.0000002200000000, -0.0000001300000000, 0.0002725300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002731800000000 ] - [ 0.0000000000000000, 0.0000002500000000, 0.0002725300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005184200000000 ] - [ 0.0000000000000000, -0.0000001800000000, -0.0005187300000000 ] - [ 0.0000001600000000, 0.0000000900000000, -0.0005187300000000 ] - [ -0.0000001600000000, 0.0000000900000000, -0.0005187300000000 ] - [ 0.0000004000000000, 0.0000002300000000, 0.0006754600000000 ] - [ -0.0000004000000000, 0.0000002300000000, 0.0006754600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006482000000000 ] - [ 0.0000000000000000, -0.0000004700000000, 0.0006754600000000 ] - [ 0.0000000000000000, 0.0000003800000000, 0.0004531200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004528500000000 ] - [ 0.0000003300000000, -0.0000001900000000, 0.0004531200000000 ] - [ -0.0000003300000000, -0.0000001900000000, 0.0004531200000000 ] - [ 0.0000000000000000, 0.0000001100000000, 0.0004706200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004713900000000 ] - [ 0.0000000900000000, -0.0000000500000000, 0.0004706200000000 ] - [ -0.0000000900000000, -0.0000000500000000, 0.0004706200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004522900000000 ] - [ 0.0000000000000000, 0.0000000800000000, -0.0004520600000000 ] - [ -0.0000000700000000, -0.0000000400000000, -0.0004520600000000 ] - [ 0.0000000700000000, -0.0000000400000000, -0.0004520600000000 ] - [ -0.0034517400000000, -0.0019928700000000, -0.0030199400000000 ] - [ 0.0034517400000000, -0.0019928700000000, -0.0030199400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016846300000000 ] - [ 0.0000000000000000, 0.0039857300000000, -0.0030199400000000 ] - [ 0.0000645700000000, 0.0000372800000000, 0.0002967900000000 ] - [ -0.0000645700000000, 0.0000372800000000, 0.0002967900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003557100000000 ] - [ 0.0000000000000000, -0.0000745600000000, 0.0002967900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002286500000000 ] - [ 0.0000000000000000, -0.0000002100000000, -0.0002181600000000 ] - [ 0.0000001800000000, 0.0000001000000000, -0.0002181600000000 ] - [ -0.0000001800000000, 0.0000001000000000, -0.0002181600000000 ] - [ 0.0006055100000000, 0.0003495900000000, 0.0001795900000000 ] - [ -0.0006055100000000, 0.0003495900000000, 0.0001795900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009378800000000 ] - [ 0.0000000000000000, -0.0006991800000000, 0.0001795900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006498700000000 ] - [ 0.0000000000000000, 0.0000049300000000, -0.0006524700000000 ] - [ -0.0000042700000000, -0.0000024600000000, -0.0006524700000000 ] - [ 0.0000042700000000, -0.0000024600000000, -0.0006524700000000 ] - [ -0.0000016600000000, -0.0000009600000000, 0.0003556500000000 ] - [ 0.0000016600000000, -0.0000009600000000, 0.0003556500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003576500000000 ] - [ 0.0000000000000000, 0.0000019200000000, 0.0003556500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003341800000000 ] - [ 0.0000000000000000, 0.0000000200000000, -0.0003346800000000 ] - [ -0.0000000100000000, -0.0000000100000000, -0.0003346800000000 ] - [ 0.0000000100000000, -0.0000000100000000, -0.0003346800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006940900000000 ] - [ 0.0000000000000000, -0.0001899600000000, -0.0008272300000000 ] - [ 0.0001645100000000, 0.0000949800000000, -0.0008272300000000 ] - [ -0.0001645100000000, 0.0000949800000000, -0.0008272300000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0000001900000000, 0.0001055000000000 ] - [ 0.0000000100000000, 0.0000000300000000, 0.0001060500000000 ] - [ -0.0000001900000000, -0.0000000600000000, 0.0001057600000000 ] - [ -0.0000005500000000, -0.0000000500000000, 0.0001057600000000 ] - [ 0.0000000900000000, -0.0000001400000000, 0.0001301600000000 ] - [ 0.0000000300000000, 0.0000001800000000, 0.0001299400000000 ] - [ 0.0000005000000000, 0.0000000100000000, 0.0001300300000000 ] - [ 0.0000003400000000, -0.0000000200000000, 0.0001300500000000 ] - [ -0.0000000900000000, 0.0000006600000000, -0.0000192800000000 ] - [ -0.0000000700000000, -0.0000007500000000, -0.0000180500000000 ] - [ 0.0000011400000000, -0.0000000400000000, -0.0000186700000000 ] - [ -0.0000010200000000, -0.0000000300000000, -0.0000186600000000 ] - [ 0.0000068700000000, -0.0000000900000000, -0.0001184900000000 ] - [ 0.0000059500000000, 0.0000001700000000, -0.0001187300000000 ] - [ -0.0000215100000000, -0.0000155700000000, -0.0001678700000000 ] - [ -0.0000211200000000, 0.0000159200000000, -0.0000690600000000 ] - [ 0.0000013800000000, -0.0000017900000000, -0.0004218600000000 ] - [ 0.0000010800000000, 0.0000015600000000, -0.0004204900000000 ] - [ -0.0000013900000000, 0.0000004700000000, -0.0004213000000000 ] - [ 0.0000009100000000, 0.0000000500000000, -0.0004214800000000 ] - [ -0.0000000100000000, 0.0000000400000000, -0.0002823800000000 ] - [ -0.0000000100000000, -0.0000001200000000, -0.0002827800000000 ] - [ 0.0000001300000000, -0.0000000300000000, -0.0002825800000000 ] - [ 0.0000002100000000, -0.0000000300000000, -0.0002825800000000 ] - [ -0.0000287200000000, 0.0000000500000000, -0.0003441600000000 ] - [ -0.0000832400000000, -0.0000006800000000, -0.0003439700000000 ] - [ 0.0000191400000000, 0.0000596400000000, -0.0003555700000000 ] - [ 0.0000177100000000, -0.0000577100000000, -0.0003337800000000 ] - [ 0.0057150800000000, -0.0031430600000000, 0.0059278700000000 ] - [ 0.0059751400000000, 0.0033413600000000, -0.0063980400000000 ] - [ 0.0002304900000000, 0.0000132300000000, -0.0000891000000000 ] - [ -0.0009379900000000, 0.0000061300000000, -0.0000922600000000 ] - [ 0.0000007100000000, 0.0000000400000000, -0.0002536900000000 ] - [ 0.0000006900000000, -0.0000000600000000, -0.0002533700000000 ] - [ 0.0000007900000000, 0.0000000000000000, -0.0002535300000000 ] - [ -0.0000000100000000, 0.0000000000000000, -0.0002535500000000 ] - [ 0.0000000700000000, -0.0000000900000000, -0.0007763200000000 ] - [ 0.0000000600000000, 0.0000002200000000, -0.0007765400000000 ] - [ -0.0000005200000000, 0.0000000700000000, -0.0007764300000000 ] - [ 0.0000003300000000, 0.0000000700000000, -0.0007764200000000 ] - [ -0.0273971800000000, -0.0001854200000000, 0.0006094400000000 ] - [ 0.0106541600000000, -0.0000058600000000, 0.0003502400000000 ] - [ 0.0019645800000000, -0.0050073700000000, 0.0002242000000000 ] - [ 0.0019745100000000, 0.0050199600000000, 0.0004678300000000 ] - [ 0.0004658700000000, 0.0002759100000000, -0.0010573600000000 ] - [ 0.0004710000000000, -0.0002829200000000, 0.0002005400000000 ] - [ -0.0000215500000000, -0.0000006500000000, -0.0004360400000000 ] - [ -0.0000154900000000, -0.0000004600000000, -0.0004357900000000 ] - [ 0.0000030700000000, 0.0000000100000000, 0.0007450800000000 ] - [ -0.0000002500000000, 0.0000000000000000, 0.0007450800000000 ] - [ 0.0000003100000000, 0.0000003100000000, 0.0007448100000000 ] - [ 0.0000003100000000, -0.0000003300000000, 0.0007453200000000 ] - [ -0.0000159600000000, 0.0000052600000000, 0.0005275600000000 ] - [ -0.0000156400000000, -0.0000052100000000, 0.0005261600000000 ] - [ -0.0000067400000000, -0.0000000500000000, 0.0005273100000000 ] - [ 0.0001273200000000, 0.0000000300000000, 0.0005278200000000 ] - [ -0.0000160100000000, 0.0000053100000000, 0.0005317100000000 ] - [ -0.0000159700000000, -0.0000054400000000, 0.0005558400000000 ] - [ -0.0000066800000000, -0.0000000500000000, 0.0005434200000000 ] - [ 0.0001270400000000, -0.0000001700000000, 0.0005441400000000 ] - [ 0.0018095600000000, 0.0022069000000000, 0.0031215900000000 ] - [ 0.0018048300000000, -0.0022293600000000, -0.0038848400000000 ] - [ -0.0007420200000000, -0.0000048200000000, -0.0003666000000000 ] - [ -0.0020346500000000, -0.0000056100000000, -0.0003623000000000 ] - [ 0.0000004200000000, -0.0000001100000000, 0.0007061400000000 ] - [ -0.0000001000000000, -0.0000001100000000, 0.0007061300000000 ] - [ 0.0000010800000000, 0.0000005700000000, 0.0007061600000000 ] - [ 0.0000010800000000, -0.0000007900000000, 0.0007061300000000 ] - [ 0.0000000400000000, 0.0000001100000000, 0.0003850600000000 ] - [ -0.0000002500000000, 0.0000001000000000, 0.0003850600000000 ] - [ -0.0000003200000000, 0.0000000700000000, 0.0003849800000000 ] - [ -0.0000003200000000, 0.0000001500000000, 0.0003851300000000 ] - [ -0.0000001600000000, 0.0000006600000000, -0.0001376000000000 ] - [ -0.0000001700000000, -0.0000000200000000, -0.0001396800000000 ] - [ 0.0000005200000000, 0.0000003300000000, -0.0001386300000000 ] - [ -0.0000007600000000, 0.0000003300000000, -0.0001386400000000 ] - [ 0.0000005600000000, -0.0000000600000000, 0.0008531500000000 ] - [ 0.0000002300000000, -0.0000000600000000, 0.0008531700000000 ] - [ 0.0000002300000000, -0.0000000700000000, 0.0008531200000000 ] - [ 0.0000002200000000, -0.0000000700000000, 0.0008532100000000 ] - [ 0.0000007300000000, 0.0000011700000000, -0.0005652400000000 ] - [ 0.0000007100000000, -0.0000008500000000, -0.0005700600000000 ] - [ -0.0000031100000000, 0.0000001600000000, -0.0005676800000000 ] - [ -0.0000010400000000, 0.0000001500000000, -0.0005677100000000 ] - [ 0.0000028100000000, -0.0000002800000000, 0.0004313300000000 ] - [ -0.0000005800000000, -0.0000002900000000, 0.0004313200000000 ] - [ -0.0000000500000000, 0.0000000200000000, 0.0004303100000000 ] - [ -0.0000000500000000, -0.0000005900000000, 0.0004323500000000 ] - [ 0.0000087700000000, 0.0000304600000000, -0.0002816500000000 ] - [ 0.0000089600000000, -0.0000304900000000, -0.0002180200000000 ] - [ 0.0000286800000000, -0.0000001800000000, -0.0002498600000000 ] - [ -0.0000439200000000, -0.0000001100000000, -0.0002497800000000 ] - [ -0.0000003000000000, 0.0000001500000000, -0.0007012000000000 ] - [ -0.0000002900000000, 0.0000000900000000, -0.0007005700000000 ] - [ -0.0000001000000000, 0.0000001100000000, -0.0007008800000000 ] - [ -0.0000003500000000, 0.0000001200000000, -0.0007008800000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000002600000000, 0.0000001500000000, -0.0000499000000000 ] - [ 0.0000002600000000, 0.0000001500000000, -0.0000499000000000 ] - [ 0.0000000000000000, -0.0000003000000000, -0.0000499000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000497800000000 ] - [ 0.0000001300000000, 0.0000000800000000, -0.0000256200000000 ] - [ -0.0000001300000000, 0.0000000800000000, -0.0000256200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000250200000000 ] - [ 0.0000000000000000, -0.0000001600000000, -0.0000256200000000 ] - [ -0.0000039800000000, 0.0000023000000000, -0.0001761200000000 ] - [ 0.0000039800000000, 0.0000023000000000, -0.0001761200000000 ] - [ 0.0000000000000000, -0.0000046000000000, -0.0001761200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001719800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001531600000000 ] - [ 0.0000000000000000, 0.0001831400000000, -0.0003202900000000 ] - [ -0.0001586000000000, -0.0000915700000000, -0.0003202900000000 ] - [ 0.0001586000000000, -0.0000915700000000, -0.0003202900000000 ] - [ 0.0000092000000000, -0.0000053100000000, -0.0005751400000000 ] - [ -0.0000092000000000, -0.0000053100000000, -0.0005751400000000 ] - [ 0.0000000000000000, 0.0000106200000000, -0.0005751400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005810000000000 ] - [ 0.0000002600000000, -0.0000001500000000, -0.0004389400000000 ] - [ -0.0000002600000000, -0.0000001500000000, -0.0004389400000000 ] - [ 0.0000000000000000, 0.0000003000000000, -0.0004389400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004384100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005080000000000 ] - [ 0.0000000000000000, -0.0002975600000000, -0.0003887600000000 ] - [ 0.0002576900000000, 0.0001487800000000, -0.0003887600000000 ] - [ -0.0002576900000000, 0.0001487800000000, -0.0003887600000000 ] - [ 0.0078093700000000, -0.0045087400000000, 0.0088551700000000 ] - [ -0.0078093700000000, -0.0045087400000000, 0.0088551700000000 ] - [ 0.0000000000000000, 0.0090174900000000, 0.0088551700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028232200000000 ] - [ -0.0000001200000000, 0.0000000700000000, -0.0001757200000000 ] - [ 0.0000001200000000, 0.0000000700000000, -0.0001757200000000 ] - [ 0.0000000000000000, -0.0000001400000000, -0.0001757200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001764400000000 ] - [ 0.0000002200000000, 0.0000001300000000, -0.0006978000000000 ] - [ -0.0000002200000000, 0.0000001300000000, -0.0006978000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006984800000000 ] - [ 0.0000000000000000, -0.0000002500000000, -0.0006978000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0363051200000000 ] - [ 0.0000000000000000, 0.0001441200000000, -0.0014320700000000 ] - [ -0.0001248100000000, -0.0000720600000000, -0.0014320700000000 ] - [ 0.0001248100000000, -0.0000720600000000, -0.0014320700000000 ] - [ -0.0004934300000000, -0.0002848800000000, 0.0002317500000000 ] - [ 0.0004934300000000, -0.0002848800000000, 0.0002317500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005168800000000 ] - [ 0.0000000000000000, 0.0005697700000000, 0.0002317500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008315900000000 ] - [ 0.0000000000000000, 0.0000011500000000, 0.0008210000000000 ] - [ -0.0000010000000000, -0.0000005800000000, 0.0008210000000000 ] - [ 0.0000010000000000, -0.0000005800000000, 0.0008210000000000 ] - [ 0.0000123500000000, -0.0000071300000000, 0.0005158500000000 ] - [ -0.0000123500000000, -0.0000071300000000, 0.0005158500000000 ] - [ 0.0000000000000000, 0.0000142600000000, 0.0005158500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009089000000000 ] - [ -0.0000006600000000, 0.0000003800000000, 0.0005339900000000 ] - [ 0.0000006600000000, 0.0000003800000000, 0.0005339900000000 ] - [ 0.0000000000000000, -0.0000007600000000, 0.0005339900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009204100000000 ] - [ 0.0034558400000000, 0.0019952300000000, 0.0033606400000000 ] - [ -0.0034558400000000, 0.0019952300000000, 0.0033606400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013446300000000 ] - [ 0.0000000000000000, -0.0039904600000000, 0.0033606400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007844100000000 ] - [ 0.0000000000000000, -0.0000000400000000, 0.0007839400000000 ] - [ 0.0000000300000000, 0.0000000200000000, 0.0007839400000000 ] - [ -0.0000000300000000, 0.0000000200000000, 0.0007839400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004632800000000 ] - [ 0.0000000000000000, -0.0000000400000000, 0.0004636300000000 ] - [ 0.0000000300000000, 0.0000000200000000, 0.0004636300000000 ] - [ -0.0000000300000000, 0.0000000200000000, 0.0004636300000000 ] - [ 0.0000016900000000, 0.0000009700000000, -0.0000602900000000 ] - [ -0.0000016900000000, 0.0000009700000000, -0.0000602900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000624700000000 ] - [ 0.0000000000000000, -0.0000019500000000, -0.0000602900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009314000000000 ] - [ 0.0000000000000000, 0.0000001400000000, 0.0009315500000000 ] - [ -0.0000001200000000, -0.0000000700000000, 0.0009315500000000 ] - [ 0.0000001200000000, -0.0000000700000000, 0.0009315500000000 ] - [ -0.0000003800000000, -0.0000002200000000, -0.0004867500000000 ] - [ 0.0000003800000000, -0.0000002200000000, -0.0004867500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004973000000000 ] - [ 0.0000000000000000, 0.0000004400000000, -0.0004867500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005168000000000 ] - [ 0.0000000000000000, 0.0000002300000000, 0.0005063000000000 ] - [ -0.0000002000000000, -0.0000001200000000, 0.0005063000000000 ] - [ 0.0000002000000000, -0.0000001200000000, 0.0005063000000000 ] - [ -0.0000643900000000, -0.0000371700000000, -0.0001577900000000 ] - [ 0.0000643900000000, -0.0000371700000000, -0.0001577900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002168000000000 ] - [ 0.0000000000000000, 0.0000743500000000, -0.0001577900000000 ] - [ -0.0000002800000000, -0.0000001600000000, -0.0006224700000000 ] - [ 0.0000002800000000, -0.0000001600000000, -0.0006224700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006230100000000 ] - [ 0.0000000000000000, 0.0000003300000000, -0.0006224700000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000003200000000, -0.0000001800000000, 0.0002615700000000 ] - [ -0.0000003200000000, -0.0000001800000000, 0.0002615700000000 ] - [ 0.0000000000000000, 0.0000003700000000, 0.0002615700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002614100000000 ] - [ -0.0000001300000000, -0.0000000800000000, 0.0002882400000000 ] - [ 0.0000001300000000, -0.0000000800000000, 0.0002882400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002875700000000 ] - [ 0.0000000000000000, 0.0000001500000000, 0.0002882400000000 ] - [ 0.0000041100000000, -0.0000023700000000, 0.0001383200000000 ] - [ -0.0000041100000000, -0.0000023700000000, 0.0001383200000000 ] - [ 0.0000000000000000, 0.0000047500000000, 0.0001383200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001341200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000877900000000 ] - [ 0.0000000000000000, -0.0001843000000000, 0.0000807500000000 ] - [ 0.0001596100000000, 0.0000921500000000, 0.0000807500000000 ] - [ -0.0001596100000000, 0.0000921500000000, 0.0000807500000000 ] - [ -0.0000086700000000, 0.0000050100000000, -0.0002684300000000 ] - [ 0.0000086700000000, 0.0000050100000000, -0.0002684300000000 ] - [ 0.0000000000000000, -0.0000100200000000, -0.0002684300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002633500000000 ] - [ -0.0000002500000000, 0.0000001400000000, -0.0001262500000000 ] - [ 0.0000002500000000, 0.0000001400000000, -0.0001262500000000 ] - [ 0.0000000000000000, -0.0000002900000000, -0.0001262500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001267900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001831000000000 ] - [ 0.0000000000000000, 0.0002900200000000, -0.0003007900000000 ] - [ -0.0002511600000000, -0.0001450100000000, -0.0003007900000000 ] - [ 0.0002511600000000, -0.0001450100000000, -0.0003007900000000 ] - [ -0.0080498600000000, 0.0046475900000000, -0.0091415300000000 ] - [ 0.0080498600000000, 0.0046475900000000, -0.0091415300000000 ] - [ 0.0000000000000000, -0.0092951800000000, -0.0091415300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030246100000000 ] - [ 0.0000001100000000, -0.0000000600000000, -0.0003333200000000 ] - [ -0.0000001100000000, -0.0000000600000000, -0.0003333200000000 ] - [ 0.0000000000000000, 0.0000001300000000, -0.0003333200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003326900000000 ] - [ -0.0000001900000000, -0.0000001100000000, -0.0008564300000000 ] - [ 0.0000001900000000, -0.0000001100000000, -0.0008564300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008559500000000 ] - [ 0.0000000000000000, 0.0000002200000000, -0.0008564300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0374089400000000 ] - [ 0.0000000000000000, -0.0001373100000000, 0.0021172500000000 ] - [ 0.0001189100000000, 0.0000686500000000, 0.0021172500000000 ] - [ -0.0001189100000000, 0.0000686500000000, 0.0021172500000000 ] - [ 0.0004780700000000, 0.0002760100000000, -0.0010825400000000 ] - [ -0.0004780700000000, 0.0002760100000000, -0.0010825400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003582600000000 ] - [ 0.0000000000000000, -0.0005520200000000, -0.0010825400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006615400000000 ] - [ 0.0000000000000000, -0.0000011200000000, 0.0006718800000000 ] - [ 0.0000009700000000, 0.0000005600000000, 0.0006718800000000 ] - [ -0.0000009700000000, 0.0000005600000000, 0.0006718800000000 ] - [ -0.0000119600000000, 0.0000069100000000, 0.0005393600000000 ] - [ 0.0000119600000000, 0.0000069100000000, 0.0005393600000000 ] - [ 0.0000000000000000, -0.0000138100000000, 0.0005393600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001561300000000 ] - [ 0.0000008200000000, -0.0000004700000000, 0.0005575200000000 ] - [ -0.0000008200000000, -0.0000004700000000, 0.0005575200000000 ] - [ 0.0000000000000000, 0.0000009400000000, 0.0005575200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001696900000000 ] - [ -0.0035073000000000, -0.0020249400000000, -0.0041631700000000 ] - [ 0.0035073000000000, -0.0020249400000000, -0.0041631700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006075100000000 ] - [ 0.0000000000000000, 0.0040498900000000, -0.0041631700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006307000000000 ] - [ 0.0000000000000000, 0.0000000900000000, 0.0006309800000000 ] - [ -0.0000000700000000, -0.0000000400000000, 0.0006309800000000 ] - [ 0.0000000700000000, -0.0000000400000000, 0.0006309800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003091600000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0003087800000000 ] - [ -0.0000000400000000, -0.0000000200000000, 0.0003087800000000 ] - [ 0.0000000400000000, -0.0000000200000000, 0.0003087800000000 ] - [ -0.0000016800000000, -0.0000009700000000, -0.0002170200000000 ] - [ 0.0000016800000000, -0.0000009700000000, -0.0002170200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002151100000000 ] - [ 0.0000000000000000, 0.0000019400000000, -0.0002170200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007771000000000 ] - [ 0.0000000000000000, -0.0000001600000000, 0.0007770300000000 ] - [ 0.0000001400000000, 0.0000000800000000, 0.0007770300000000 ] - [ -0.0000001400000000, 0.0000000800000000, 0.0007770300000000 ] - [ 0.0000003800000000, 0.0000002200000000, -0.0006498000000000 ] - [ -0.0000003800000000, 0.0000002200000000, -0.0006498000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006395700000000 ] - [ 0.0000000000000000, -0.0000004400000000, -0.0006498000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003474000000000 ] - [ 0.0000000000000000, -0.0000001900000000, 0.0003577800000000 ] - [ 0.0000001600000000, 0.0000000900000000, 0.0003577800000000 ] - [ -0.0000001600000000, 0.0000000900000000, 0.0003577800000000 ] - [ 0.0000647300000000, 0.0000373700000000, -0.0003431300000000 ] - [ -0.0000647300000000, 0.0000373700000000, -0.0003431300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002837100000000 ] - [ 0.0000000000000000, -0.0000747400000000, -0.0003431300000000 ] - [ 0.0000002600000000, 0.0000001500000000, -0.0007805000000000 ] - [ -0.0000002600000000, 0.0000001500000000, -0.0007805000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007799300000000 ] - [ 0.0000000000000000, -0.0000003000000000, -0.0007805000000000 ]- atom: 45 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000005300000000, -0.0000000800000000, 0.0001062800000000 ] - [ 0.0000003400000000, -0.0000000900000000, 0.0001062800000000 ] - [ 0.0000000800000000, 0.0000002100000000, 0.0001064400000000 ] - [ 0.0000000600000000, -0.0000003200000000, 0.0001060900000000 ] - [ 0.0000004600000000, 0.0000000200000000, 0.0001305600000000 ] - [ 0.0000000600000000, 0.0000000300000000, 0.0001305500000000 ] - [ 0.0000002500000000, 0.0000001200000000, 0.0001304900000000 ] - [ 0.0000002800000000, -0.0000001200000000, 0.0001306000000000 ] - [ 0.0000000800000000, -0.0000000400000000, -0.0000181600000000 ] - [ 0.0000002100000000, -0.0000000400000000, -0.0000181600000000 ] - [ -0.0000000600000000, 0.0000000400000000, -0.0000180100000000 ] - [ -0.0000000500000000, -0.0000001100000000, -0.0000183100000000 ] - [ 0.0000009600000000, 0.0000009200000000, -0.0001188400000000 ] - [ 0.0000012100000000, -0.0000010100000000, -0.0001178200000000 ] - [ -0.0000007600000000, 0.0000000900000000, -0.0001180500000000 ] - [ -0.0000003200000000, 0.0000005000000000, -0.0001182000000000 ] - [ -0.0001745800000000, -0.0000000500000000, -0.0004209700000000 ] - [ 0.0002048800000000, -0.0000000500000000, -0.0004209300000000 ] - [ -0.0000038700000000, -0.0000984800000000, -0.0004913600000000 ] - [ -0.0000038500000000, 0.0000986500000000, -0.0003506100000000 ] - [ 0.0000004600000000, -0.0000000200000000, -0.0002820600000000 ] - [ -0.0000003100000000, -0.0000000500000000, -0.0002820800000000 ] - [ -0.0000000900000000, 0.0000003000000000, -0.0002835800000000 ] - [ -0.0000001400000000, -0.0000003500000000, -0.0002805700000000 ] - [ 0.0058749400000000, 0.0032926500000000, 0.0058459400000000 ] - [ 0.0056127200000000, -0.0030944600000000, -0.0062607200000000 ] - [ -0.0009372700000000, 0.0000064600000000, -0.0003498300000000 ] - [ 0.0002134900000000, 0.0000151200000000, -0.0003537800000000 ] - [ -0.0000491400000000, -0.0000001000000000, -0.0000966800000000 ] - [ -0.0001469800000000, -0.0000028500000000, -0.0000974300000000 ] - [ 0.0000051100000000, -0.0000303100000000, -0.0001109800000000 ] - [ 0.0000034400000000, 0.0000313700000000, -0.0000841100000000 ] - [ -0.0000004400000000, 0.0000000000000000, -0.0002538500000000 ] - [ 0.0000000500000000, -0.0000000100000000, -0.0002538400000000 ] - [ 0.0000002100000000, -0.0000003700000000, -0.0002539000000000 ] - [ 0.0000001900000000, 0.0000003700000000, -0.0002538100000000 ] - [ 0.0000000400000000, 0.0000000600000000, -0.0007767400000000 ] - [ -0.0000002700000000, 0.0000000600000000, -0.0007767400000000 ] - [ -0.0000003500000000, 0.0000000300000000, -0.0007768600000000 ] - [ -0.0000003400000000, 0.0000001100000000, -0.0007766200000000 ] - [ 0.0004713200000000, 0.0002823000000000, -0.0001452900000000 ] - [ 0.0004652300000000, -0.0002765400000000, 0.0008260900000000 ] - [ -0.0000217100000000, -0.0000000800000000, 0.0003467400000000 ] - [ -0.0000156600000000, 0.0000035800000000, 0.0003502600000000 ] - [ -0.0269264600000000, -0.0002008300000000, -0.0006998600000000 ] - [ 0.0107459800000000, -0.0000056800000000, -0.0004386600000000 ] - [ 0.0019859500000000, -0.0050484300000000, -0.0002762300000000 ] - [ 0.0019958200000000, 0.0050602700000000, -0.0005930100000000 ] - [ 0.0000088200000000, 0.0000303600000000, 0.0006800800000000 ] - [ 0.0000087500000000, -0.0000304500000000, 0.0008095700000000 ] - [ 0.0000284500000000, 0.0000000500000000, 0.0007447800000000 ] - [ -0.0000438700000000, -0.0000000200000000, 0.0007446800000000 ] - [ -0.0020350500000000, -0.0000067100000000, 0.0005202600000000 ] - [ -0.0007419600000000, -0.0000047300000000, 0.0005253000000000 ] - [ 0.0018060100000000, -0.0022297400000000, 0.0040228800000000 ] - [ 0.0018090900000000, 0.0022073900000000, -0.0029416100000000 ] - [ -0.0000009900000000, 0.0000000400000000, 0.0005434800000000 ] - [ -0.0000030600000000, 0.0000000200000000, 0.0005434100000000 ] - [ 0.0000007200000000, -0.0000009500000000, 0.0005428900000000 ] - [ 0.0000007400000000, 0.0000010300000000, 0.0005439000000000 ] - [ 0.0000275100000000, -0.0000001300000000, -0.0003681500000000 ] - [ -0.0000065800000000, -0.0000004900000000, -0.0003689400000000 ] - [ -0.0000472000000000, -0.0000224600000000, -0.0003374200000000 ] - [ -0.0000461300000000, 0.0000238400000000, -0.0003993400000000 ] - [ 0.0000005200000000, -0.0000001900000000, 0.0007057500000000 ] - [ 0.0000005200000000, -0.0000000300000000, 0.0007059300000000 ] - [ -0.0000002700000000, -0.0000001100000000, 0.0007058400000000 ] - [ 0.0000006600000000, -0.0000001100000000, 0.0007058500000000 ] - [ 0.0000000000000000, -0.0000000100000000, 0.0003848300000000 ] - [ 0.0000000100000000, 0.0000002200000000, 0.0003846800000000 ] - [ -0.0000005600000000, 0.0000001200000000, 0.0003847600000000 ] - [ 0.0000002000000000, 0.0000001100000000, 0.0003847500000000 ] - [ 0.0000001800000000, 0.0000003300000000, -0.0001389600000000 ] - [ -0.0000001800000000, 0.0000003200000000, -0.0001389500000000 ] - [ -0.0000001600000000, 0.0000003400000000, -0.0001389400000000 ] - [ -0.0000001700000000, 0.0000003200000000, -0.0001389800000000 ] - [ 0.0000001500000000, 0.0000006700000000, 0.0008539100000000 ] - [ 0.0000001600000000, -0.0000008000000000, 0.0008518200000000 ] - [ 0.0000016000000000, -0.0000000800000000, 0.0008528600000000 ] - [ -0.0000011200000000, -0.0000000700000000, 0.0008528600000000 ] - [ 0.0000276500000000, 0.0000000700000000, -0.0005679600000000 ] - [ -0.0000060100000000, -0.0000000300000000, -0.0005683100000000 ] - [ -0.0000465800000000, -0.0000234200000000, -0.0003997000000000 ] - [ -0.0000468300000000, 0.0000235600000000, -0.0007364100000000 ] - [ 0.0000000100000000, -0.0000002400000000, 0.0004308000000000 ] - [ 0.0000000200000000, -0.0000003300000000, 0.0004312800000000 ] - [ 0.0000002000000000, -0.0000002900000000, 0.0004310500000000 ] - [ -0.0000000500000000, -0.0000002800000000, 0.0004310400000000 ] - [ 0.0000026600000000, -0.0000000700000000, -0.0002501300000000 ] - [ -0.0000001200000000, -0.0000001000000000, -0.0002501500000000 ] - [ 0.0000003000000000, 0.0000001400000000, -0.0002503000000000 ] - [ 0.0000002700000000, -0.0000003400000000, -0.0002499400000000 ] - [ 0.0000024900000000, 0.0000001200000000, -0.0007012000000000 ] - [ -0.0000013500000000, 0.0000001200000000, -0.0007011800000000 ] - [ -0.0000005700000000, 0.0000005600000000, -0.0007014600000000 ] - [ -0.0000005600000000, -0.0000003300000000, -0.0007009300000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000001500000000, -0.0000507900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000500900000000 ] - [ 0.0000001300000000, -0.0000000800000000, -0.0000507900000000 ] - [ -0.0000001300000000, -0.0000000800000000, -0.0000507900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000269500000000 ] - [ 0.0000000000000000, -0.0000000200000000, -0.0000259700000000 ] - [ 0.0000000200000000, 0.0000000100000000, -0.0000259700000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0000259700000000 ] - [ 0.0000000000000000, 0.0000002700000000, -0.0001759800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001754700000000 ] - [ 0.0000002400000000, -0.0000001400000000, -0.0001759800000000 ] - [ -0.0000002400000000, -0.0000001400000000, -0.0001759800000000 ] - [ 0.0000048900000000, 0.0000028200000000, -0.0002748900000000 ] - [ -0.0000048900000000, 0.0000028200000000, -0.0002748900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002744800000000 ] - [ 0.0000000000000000, -0.0000056400000000, -0.0002748900000000 ] - [ 0.0000000000000000, -0.0000027500000000, -0.0005678600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006176800000000 ] - [ -0.0000023800000000, 0.0000013800000000, -0.0005678600000000 ] - [ 0.0000023800000000, 0.0000013800000000, -0.0005678600000000 ] - [ 0.0000000000000000, -0.0000029000000000, -0.0004404900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004372800000000 ] - [ -0.0000025200000000, 0.0000014500000000, -0.0004404900000000 ] - [ 0.0000025200000000, 0.0000014500000000, -0.0004404900000000 ] - [ 0.0080318200000000, 0.0046371700000000, 0.0086854600000000 ] - [ -0.0080318200000000, 0.0046371700000000, 0.0086854600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025748100000000 ] - [ 0.0000000000000000, -0.0092743400000000, 0.0086854600000000 ] - [ 0.0000000000000000, 0.0000401600000000, -0.0001083600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004474100000000 ] - [ 0.0000347800000000, -0.0000200800000000, -0.0001083600000000 ] - [ -0.0000347800000000, -0.0000200800000000, -0.0001083600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001763700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001768500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001763700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001763700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006985200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006981600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006981600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006981600000000 ] - [ -0.0006189500000000, -0.0003573500000000, 0.0009924100000000 ] - [ 0.0006189500000000, -0.0003573500000000, 0.0009924100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002690400000000 ] - [ 0.0000000000000000, 0.0007147000000000, 0.0009924100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0376450100000000 ] - [ 0.0000000000000000, -0.0001790100000000, -0.0021341500000000 ] - [ 0.0001550300000000, 0.0000895100000000, -0.0021341500000000 ] - [ -0.0001550300000000, 0.0000895100000000, -0.0021341500000000 ] - [ -0.0000319500000000, -0.0000184500000000, 0.0008379200000000 ] - [ 0.0000319500000000, -0.0000184500000000, 0.0008379200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007785600000000 ] - [ 0.0000000000000000, 0.0000369000000000, 0.0008379200000000 ] - [ 0.0000000000000000, 0.0040762100000000, 0.0043205300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004494700000000 ] - [ 0.0035301000000000, -0.0020381000000000, 0.0043205300000000 ] - [ -0.0035301000000000, -0.0020381000000000, 0.0043205300000000 ] - [ 0.0000000000000000, 0.0000028600000000, 0.0006247100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006143200000000 ] - [ 0.0000024800000000, -0.0000014300000000, 0.0006247100000000 ] - [ -0.0000024800000000, -0.0000014300000000, 0.0006247100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003809000000000 ] - [ 0.0000000000000000, 0.0001918700000000, -0.0002418100000000 ] - [ -0.0001661700000000, -0.0000959400000000, -0.0002418100000000 ] - [ 0.0001661700000000, -0.0000959400000000, -0.0002418100000000 ] - [ -0.0000000700000000, -0.0000000400000000, 0.0007856100000000 ] - [ 0.0000000700000000, -0.0000000400000000, 0.0007856100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007851100000000 ] - [ 0.0000000000000000, 0.0000000800000000, 0.0007856100000000 ] - [ 0.0000002400000000, 0.0000001400000000, 0.0004648000000000 ] - [ -0.0000002400000000, 0.0000001400000000, 0.0004648000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004641800000000 ] - [ 0.0000000000000000, -0.0000002800000000, 0.0004648000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000610000000000 ] - [ 0.0000000000000000, 0.0000000700000000, -0.0000609600000000 ] - [ -0.0000000600000000, -0.0000000400000000, -0.0000609600000000 ] - [ 0.0000000600000000, -0.0000000400000000, -0.0000609600000000 ] - [ 0.0000013900000000, 0.0000008000000000, 0.0009324900000000 ] - [ -0.0000013900000000, 0.0000008000000000, 0.0009324900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009313200000000 ] - [ 0.0000000000000000, -0.0000016000000000, 0.0009324900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005820700000000 ] - [ 0.0000000000000000, 0.0000358100000000, -0.0004410900000000 ] - [ -0.0000310100000000, -0.0000179000000000, -0.0004410900000000 ] - [ 0.0000310100000000, -0.0000179000000000, -0.0004410900000000 ] - [ -0.0000002900000000, -0.0000001700000000, 0.0005099000000000 ] - [ 0.0000002900000000, -0.0000001700000000, 0.0005099000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005093400000000 ] - [ 0.0000000000000000, 0.0000003400000000, 0.0005099000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001652400000000 ] - [ 0.0000000000000000, 0.0000002700000000, -0.0001730600000000 ] - [ -0.0000002400000000, -0.0000001400000000, -0.0001730600000000 ] - [ 0.0000002400000000, -0.0000001400000000, -0.0001730600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006164700000000 ] - [ 0.0000000000000000, -0.0000000700000000, -0.0006244900000000 ] - [ 0.0000000600000000, 0.0000000400000000, -0.0006244900000000 ] - [ -0.0000000600000000, 0.0000000400000000, -0.0006244900000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000003200000000, 0.0002650700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002644300000000 ] - [ -0.0000002800000000, 0.0000001600000000, 0.0002650700000000 ] - [ 0.0000002800000000, 0.0000001600000000, 0.0002650700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002924100000000 ] - [ 0.0000000000000000, 0.0000001800000000, 0.0002912200000000 ] - [ -0.0000001600000000, -0.0000000900000000, 0.0002912200000000 ] - [ 0.0000001600000000, -0.0000000900000000, 0.0002912200000000 ] - [ 0.0000000000000000, -0.0000003800000000, 0.0001409000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001404000000000 ] - [ -0.0000003300000000, 0.0000001900000000, 0.0001409000000000 ] - [ 0.0000003300000000, 0.0000001900000000, 0.0001409000000000 ] - [ -0.0000052600000000, -0.0000030400000000, 0.0000373400000000 ] - [ 0.0000052600000000, -0.0000030400000000, 0.0000373400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000374700000000 ] - [ 0.0000000000000000, 0.0000060800000000, 0.0000373400000000 ] - [ 0.0000000000000000, 0.0000029000000000, -0.0002735200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002241700000000 ] - [ 0.0000025100000000, -0.0000014500000000, -0.0002735200000000 ] - [ -0.0000025100000000, -0.0000014500000000, -0.0002735200000000 ] - [ 0.0000000000000000, 0.0000029400000000, -0.0001220100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001252400000000 ] - [ 0.0000025500000000, -0.0000014700000000, -0.0001220100000000 ] - [ -0.0000025500000000, -0.0000014700000000, -0.0001220100000000 ] - [ -0.0077911100000000, -0.0044982000000000, -0.0092820400000000 ] - [ 0.0077911100000000, -0.0044982000000000, -0.0092820400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032568100000000 ] - [ 0.0000000000000000, 0.0089963900000000, -0.0092820400000000 ] - [ 0.0000000000000000, -0.0000420300000000, -0.0000890000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002589900000000 ] - [ -0.0000364000000000, 0.0000210100000000, -0.0000890000000000 ] - [ 0.0000364000000000, 0.0000210100000000, -0.0000890000000000 ] - [ 0.0000000000000000, 0.0000000600000000, -0.0003352800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003346200000000 ] - [ 0.0000000500000000, -0.0000000300000000, -0.0003352800000000 ] - [ -0.0000000500000000, -0.0000000300000000, -0.0003352800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008579800000000 ] - [ 0.0000000000000000, 0.0000000200000000, -0.0008585300000000 ] - [ -0.0000000200000000, -0.0000000100000000, -0.0008585300000000 ] - [ 0.0000000200000000, -0.0000000100000000, -0.0008585300000000 ] - [ 0.0006390000000000, 0.0003689300000000, -0.0003187900000000 ] - [ -0.0006390000000000, 0.0003689300000000, -0.0003187900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004307600000000 ] - [ 0.0000000000000000, -0.0007378500000000, -0.0003187900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0363336600000000 ] - [ 0.0000000000000000, 0.0001868800000000, 0.0012692700000000 ] - [ -0.0001618400000000, -0.0000934400000000, 0.0012692700000000 ] - [ 0.0001618400000000, -0.0000934400000000, 0.0012692700000000 ] - [ 0.0000317300000000, 0.0000183200000000, 0.0006543600000000 ] - [ -0.0000317300000000, 0.0000183200000000, 0.0006543600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007131700000000 ] - [ 0.0000000000000000, -0.0000366400000000, 0.0006543600000000 ] - [ 0.0000000000000000, -0.0040167200000000, -0.0032016200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015056200000000 ] - [ -0.0034785800000000, 0.0020083600000000, -0.0032016200000000 ] - [ 0.0034785800000000, 0.0020083600000000, -0.0032016200000000 ] - [ 0.0000000000000000, -0.0000029500000000, 0.0004653100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004759700000000 ] - [ -0.0000025500000000, 0.0000014700000000, 0.0004653100000000 ] - [ 0.0000025500000000, 0.0000014700000000, 0.0004653100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003566000000000 ] - [ 0.0000000000000000, -0.0001969900000000, -0.0004996500000000 ] - [ 0.0001706000000000, 0.0000985000000000, -0.0004996500000000 ] - [ -0.0001706000000000, 0.0000985000000000, -0.0004996500000000 ] - [ 0.0000000900000000, 0.0000000500000000, 0.0006287700000000 ] - [ -0.0000000900000000, 0.0000000500000000, 0.0006287700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006290200000000 ] - [ 0.0000000000000000, -0.0000001100000000, 0.0006287700000000 ] - [ -0.0000002500000000, -0.0000001400000000, 0.0003070100000000 ] - [ 0.0000002500000000, -0.0000001400000000, 0.0003070100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003075500000000 ] - [ 0.0000000000000000, 0.0000002900000000, 0.0003070100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002188400000000 ] - [ 0.0000000000000000, -0.0000000500000000, -0.0002191200000000 ] - [ 0.0000000500000000, 0.0000000300000000, -0.0002191200000000 ] - [ -0.0000000500000000, 0.0000000300000000, -0.0002191200000000 ] - [ -0.0000013700000000, -0.0000007900000000, 0.0007751200000000 ] - [ 0.0000013700000000, -0.0000007900000000, 0.0007751200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007763500000000 ] - [ 0.0000000000000000, 0.0000015800000000, 0.0007751200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005574700000000 ] - [ 0.0000000000000000, -0.0000358600000000, -0.0006979000000000 ] - [ 0.0000310500000000, 0.0000179300000000, -0.0006979000000000 ] - [ -0.0000310500000000, 0.0000179300000000, -0.0006979000000000 ] - [ 0.0000003500000000, 0.0000002000000000, 0.0003536800000000 ] - [ -0.0000003500000000, 0.0000002000000000, 0.0003536800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003541200000000 ] - [ 0.0000000000000000, -0.0000004000000000, 0.0003536800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003382500000000 ] - [ 0.0000000000000000, -0.0000003000000000, -0.0003303200000000 ] - [ 0.0000002600000000, 0.0000001500000000, -0.0003303200000000 ] - [ -0.0000002600000000, 0.0000001500000000, -0.0003303200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007886600000000 ] - [ 0.0000000000000000, 0.0000001000000000, -0.0007807200000000 ] - [ -0.0000000900000000, -0.0000000500000000, -0.0007807200000000 ] - [ 0.0000000900000000, -0.0000000500000000, -0.0007807200000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000011500000000, -0.0000001900000000, 0.0001069400000000 ] - [ 0.0000011100000000, 0.0000003500000000, 0.0001049200000000 ] - [ 0.0000003900000000, -0.0000000800000000, 0.0001057400000000 ] - [ -0.0000014900000000, -0.0000000600000000, 0.0001057500000000 ] - [ -0.0000001000000000, -0.0000000400000000, 0.0001302200000000 ] - [ -0.0000001600000000, 0.0000000800000000, 0.0001298400000000 ] - [ 0.0000001500000000, 0.0000000100000000, 0.0001300100000000 ] - [ -0.0000000200000000, -0.0000000100000000, 0.0001300300000000 ] - [ 0.0000000000000000, -0.0000001600000000, -0.0000189800000000 ] - [ 0.0000000100000000, 0.0000000700000000, -0.0000184100000000 ] - [ -0.0000001900000000, -0.0000000400000000, -0.0000186900000000 ] - [ -0.0000005500000000, -0.0000000300000000, -0.0000186900000000 ] - [ 0.0000001300000000, 0.0000000800000000, -0.0001185500000000 ] - [ -0.0000005700000000, 0.0000000800000000, -0.0001185600000000 ] - [ -0.0000008600000000, -0.0000001100000000, -0.0001185700000000 ] - [ -0.0000008600000000, 0.0000002200000000, -0.0001185600000000 ] - [ 0.0057071300000000, -0.0031402100000000, 0.0055990700000000 ] - [ 0.0059672200000000, 0.0033385700000000, -0.0067170700000000 ] - [ 0.0002274500000000, 0.0000132300000000, -0.0004130000000000 ] - [ -0.0009405700000000, 0.0000062000000000, -0.0004161800000000 ] - [ -0.0000043600000000, -0.0000111700000000, -0.0002837000000000 ] - [ -0.0000053000000000, 0.0000111000000000, -0.0002801300000000 ] - [ -0.0000241100000000, 0.0000002700000000, -0.0002816300000000 ] - [ -0.0002365600000000, -0.0000000600000000, -0.0002826000000000 ] - [ 0.0000064900000000, -0.0000001500000000, -0.0003449400000000 ] - [ 0.0000064600000000, 0.0000001100000000, -0.0003451900000000 ] - [ -0.0000214100000000, -0.0000158200000000, -0.0003941700000000 ] - [ -0.0000210000000000, 0.0000161100000000, -0.0002956700000000 ] - [ -0.0000001000000000, 0.0000006800000000, -0.0000982300000000 ] - [ -0.0000000800000000, -0.0000007600000000, -0.0000969700000000 ] - [ 0.0000011500000000, -0.0000000200000000, -0.0000976100000000 ] - [ -0.0000010300000000, -0.0000000100000000, -0.0000976000000000 ] - [ 0.0000002200000000, 0.0000000100000000, -0.0002537500000000 ] - [ 0.0000002200000000, -0.0000000300000000, -0.0002533600000000 ] - [ 0.0000002600000000, 0.0000000000000000, -0.0002535500000000 ] - [ 0.0000004400000000, -0.0000000100000000, -0.0002535700000000 ] - [ 0.0000009600000000, 0.0000012600000000, -0.0007769700000000 ] - [ 0.0000009500000000, -0.0000011400000000, -0.0007759800000000 ] - [ -0.0000036700000000, 0.0000000700000000, -0.0007764500000000 ] - [ -0.0000011200000000, 0.0000000700000000, -0.0007764400000000 ] - [ 0.0000029000000000, -0.0000001700000000, 0.0003467100000000 ] - [ -0.0000005600000000, -0.0000001800000000, 0.0003466800000000 ] - [ 0.0000000000000000, 0.0000001400000000, 0.0003456700000000 ] - [ -0.0000000100000000, -0.0000005000000000, 0.0003477200000000 ] - [ 0.0000086800000000, 0.0000302200000000, -0.0004672200000000 ] - [ 0.0000088600000000, -0.0000303500000000, -0.0004033100000000 ] - [ 0.0000285600000000, -0.0000002300000000, -0.0004353000000000 ] - [ -0.0000436900000000, -0.0000001600000000, -0.0004352300000000 ] - [ -0.0273525400000000, -0.0001853100000000, 0.0010104200000000 ] - [ 0.0106456300000000, -0.0000057100000000, 0.0007488700000000 ] - [ 0.0019815000000000, -0.0049925200000000, 0.0006237000000000 ] - [ 0.0019916500000000, 0.0050053000000000, 0.0008653300000000 ] - [ -0.0000165300000000, 0.0000051200000000, 0.0005144600000000 ] - [ -0.0000164900000000, -0.0000053500000000, 0.0005397700000000 ] - [ -0.0000074400000000, -0.0000001000000000, 0.0005267700000000 ] - [ 0.0001262700000000, -0.0000002300000000, 0.0005274800000000 ] - [ -0.0000002000000000, -0.0000000400000000, 0.0005437200000000 ] - [ -0.0000002100000000, 0.0000000900000000, 0.0005436900000000 ] - [ -0.0000003100000000, 0.0000000300000000, 0.0005437000000000 ] - [ -0.0000004300000000, 0.0000000300000000, 0.0005437100000000 ] - [ -0.0000002900000000, 0.0000005400000000, -0.0003670500000000 ] - [ -0.0000002900000000, -0.0000001800000000, -0.0003691700000000 ] - [ 0.0000004200000000, 0.0000001900000000, -0.0003681100000000 ] - [ -0.0000009100000000, 0.0000001800000000, -0.0003681100000000 ] - [ 0.0000008100000000, -0.0000001200000000, 0.0007061300000000 ] - [ 0.0000013600000000, -0.0000001200000000, 0.0007061200000000 ] - [ 0.0000000200000000, -0.0000008800000000, 0.0007058000000000 ] - [ 0.0000000200000000, 0.0000006700000000, 0.0007064800000000 ] - [ 0.0000000400000000, 0.0000001100000000, 0.0003850400000000 ] - [ -0.0000003100000000, 0.0000001000000000, 0.0003850500000000 ] - [ -0.0000003000000000, 0.0000001100000000, 0.0003850100000000 ] - [ -0.0000003100000000, 0.0000001100000000, 0.0003850900000000 ] - [ 0.0000001900000000, 0.0000001700000000, -0.0001385700000000 ] - [ 0.0000001800000000, 0.0000004700000000, -0.0001387500000000 ] - [ -0.0000003900000000, 0.0000003200000000, -0.0001386500000000 ] - [ 0.0000004400000000, 0.0000003300000000, -0.0001386700000000 ] - [ 0.0000318000000000, 0.0000000700000000, 0.0008530700000000 ] - [ 0.0000277700000000, 0.0000004400000000, 0.0008530900000000 ] - [ -0.0000475600000000, -0.0000439300000000, 0.0008964400000000 ] - [ -0.0000471100000000, 0.0000428000000000, 0.0008105800000000 ] - [ 0.0018067800000000, 0.0022093400000000, 0.0029212400000000 ] - [ 0.0018021500000000, -0.0022318300000000, -0.0040837600000000 ] - [ -0.0007392400000000, -0.0000048600000000, -0.0005662100000000 ] - [ -0.0020416400000000, -0.0000056400000000, -0.0005620200000000 ] - [ 0.0000002800000000, -0.0000002800000000, 0.0004313200000000 ] - [ -0.0000002100000000, -0.0000002900000000, 0.0004313300000000 ] - [ 0.0000009500000000, 0.0000003900000000, 0.0004313600000000 ] - [ 0.0000009500000000, -0.0000009500000000, 0.0004313000000000 ] - [ 0.0000006200000000, -0.0000002000000000, -0.0002500000000000 ] - [ 0.0000006200000000, 0.0000000100000000, -0.0002496800000000 ] - [ 0.0000000100000000, -0.0000001000000000, -0.0002498300000000 ] - [ 0.0000008000000000, -0.0000000900000000, -0.0002498300000000 ] - [ 0.0005996500000000, 0.0003456700000000, -0.0012879700000000 ] - [ 0.0006054200000000, -0.0003509000000000, -0.0001007300000000 ] - [ -0.0000154700000000, -0.0000000600000000, -0.0007018300000000 ] - [ -0.0000006900000000, -0.0000001400000000, -0.0007015600000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000101500000000, 0.0000058600000000, -0.0000528700000000 ] - [ 0.0000101500000000, 0.0000058600000000, -0.0000528700000000 ] - [ 0.0000000000000000, -0.0000117200000000, -0.0000528700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000429000000000 ] - [ -0.0000001400000000, -0.0000000800000000, -0.0000244600000000 ] - [ 0.0000001400000000, -0.0000000800000000, -0.0000244600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000235400000000 ] - [ 0.0000000000000000, 0.0000001600000000, -0.0000244600000000 ] - [ -0.0000001900000000, 0.0000001100000000, -0.0001766300000000 ] - [ 0.0000001900000000, 0.0000001100000000, -0.0001766300000000 ] - [ 0.0000000000000000, -0.0000002200000000, -0.0001766300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001765000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002777800000000 ] - [ 0.0000000000000000, 0.0000000200000000, -0.0002779300000000 ] - [ -0.0000000200000000, -0.0000000100000000, -0.0002779300000000 ] - [ 0.0000000200000000, -0.0000000100000000, -0.0002779300000000 ] - [ 0.0078171000000000, -0.0045132100000000, 0.0085332600000000 ] - [ -0.0078171000000000, -0.0045132100000000, 0.0085332600000000 ] - [ 0.0000000000000000, 0.0090264100000000, 0.0085332600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024883000000000 ] - [ 0.0000468500000000, -0.0000270500000000, -0.0002966700000000 ] - [ -0.0000468500000000, -0.0000270500000000, -0.0002966700000000 ] - [ 0.0000000000000000, 0.0000540900000000, -0.0002966700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006358800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003828200000000 ] - [ 0.0000000000000000, 0.0001833500000000, -0.0005501300000000 ] - [ -0.0001587800000000, -0.0000916700000000, -0.0005501300000000 ] - [ 0.0001587800000000, -0.0000916700000000, -0.0005501300000000 ] - [ -0.0000040300000000, 0.0000023300000000, -0.0002565700000000 ] - [ 0.0000040300000000, 0.0000023300000000, -0.0002565700000000 ] - [ 0.0000000000000000, -0.0000046500000000, -0.0002565700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002525500000000 ] - [ -0.0000002900000000, 0.0000001700000000, -0.0001795800000000 ] - [ 0.0000002900000000, 0.0000001700000000, -0.0001795800000000 ] - [ 0.0000000000000000, -0.0000003300000000, -0.0001795800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001792700000000 ] - [ -0.0000003800000000, -0.0000002200000000, -0.0007060700000000 ] - [ 0.0000003800000000, -0.0000002200000000, -0.0007060700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006790500000000 ] - [ 0.0000000000000000, 0.0000004400000000, -0.0007060700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004365800000000 ] - [ 0.0000000000000000, 0.0000002300000000, 0.0004260000000000 ] - [ -0.0000002000000000, -0.0000001100000000, 0.0004260000000000 ] - [ 0.0000002000000000, -0.0000001100000000, 0.0004260000000000 ] - [ -0.0000644100000000, -0.0000371900000000, -0.0003452400000000 ] - [ 0.0000644100000000, -0.0000371900000000, -0.0003452400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004042900000000 ] - [ 0.0000000000000000, 0.0000743800000000, -0.0003452400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0358889200000000 ] - [ 0.0000000000000000, 0.0001429900000000, -0.0010128700000000 ] - [ -0.0001238400000000, -0.0000715000000000, -0.0010128700000000 ] - [ 0.0001238400000000, -0.0000715000000000, -0.0010128700000000 ] - [ -0.0000006700000000, 0.0000003900000000, 0.0005219100000000 ] - [ 0.0000006700000000, 0.0000003900000000, 0.0005219100000000 ] - [ 0.0000000000000000, -0.0000007700000000, 0.0005219100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009094700000000 ] - [ 0.0000000500000000, -0.0000000300000000, 0.0006261500000000 ] - [ -0.0000000500000000, -0.0000000300000000, 0.0006261500000000 ] - [ 0.0000000000000000, 0.0000000600000000, 0.0006261500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006253500000000 ] - [ 0.0000016700000000, 0.0000009600000000, -0.0002918000000000 ] - [ -0.0000016700000000, 0.0000009600000000, -0.0002918000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002940600000000 ] - [ 0.0000000000000000, -0.0000019300000000, -0.0002918000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007876300000000 ] - [ 0.0000000000000000, -0.0000049000000000, 0.0007898600000000 ] - [ 0.0000042400000000, 0.0000024500000000, 0.0007898600000000 ] - [ -0.0000042400000000, 0.0000024500000000, 0.0007898600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004676500000000 ] - [ 0.0000000000000000, 0.0000001700000000, 0.0004678600000000 ] - [ -0.0000001400000000, -0.0000000800000000, 0.0004678600000000 ] - [ 0.0000001400000000, -0.0000000800000000, 0.0004678600000000 ] - [ 0.0000002300000000, 0.0000001300000000, -0.0000617400000000 ] - [ -0.0000002300000000, 0.0000001300000000, -0.0000617400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000625100000000 ] - [ 0.0000000000000000, -0.0000002600000000, -0.0000617400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008456300000000 ] - [ 0.0000000000000000, 0.0001892900000000, 0.0009782300000000 ] - [ -0.0001639300000000, -0.0000946500000000, 0.0009782300000000 ] - [ 0.0001639300000000, -0.0000946500000000, 0.0009782300000000 ] - [ 0.0034504600000000, 0.0019921200000000, 0.0031586200000000 ] - [ -0.0034504600000000, 0.0019921200000000, 0.0031586200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015457600000000 ] - [ 0.0000000000000000, -0.0039842500000000, 0.0031586200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005117500000000 ] - [ 0.0000000000000000, -0.0000000300000000, 0.0005112500000000 ] - [ 0.0000000300000000, 0.0000000200000000, 0.0005112500000000 ] - [ -0.0000000300000000, 0.0000000200000000, 0.0005112500000000 ] - [ -0.0000001500000000, -0.0000000800000000, -0.0001738100000000 ] - [ 0.0000001500000000, -0.0000000800000000, -0.0001738100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001744800000000 ] - [ 0.0000000000000000, 0.0000001700000000, -0.0001738100000000 ] - [ -0.0006036600000000, -0.0003485200000000, -0.0000290800000000 ] - [ 0.0006036600000000, -0.0003485200000000, -0.0000290800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007852000000000 ] - [ 0.0000000000000000, 0.0006970500000000, -0.0000290800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000099800000000, -0.0000057600000000, 0.0002646700000000 ] - [ -0.0000099800000000, -0.0000057600000000, 0.0002646700000000 ] - [ 0.0000000000000000, 0.0000115200000000, 0.0002646700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002548800000000 ] - [ 0.0000001400000000, 0.0000000800000000, 0.0002869000000000 ] - [ -0.0000001400000000, 0.0000000800000000, 0.0002869000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002859400000000 ] - [ 0.0000000000000000, -0.0000001700000000, 0.0002869000000000 ] - [ 0.0000002800000000, -0.0000001600000000, 0.0001389300000000 ] - [ -0.0000002800000000, -0.0000001600000000, 0.0001389300000000 ] - [ 0.0000000000000000, 0.0000003200000000, 0.0001389300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001388000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000385000000000 ] - [ 0.0000000000000000, -0.0000000700000000, 0.0000384100000000 ] - [ 0.0000000600000000, 0.0000000300000000, 0.0000384100000000 ] - [ -0.0000000600000000, 0.0000000300000000, 0.0000384100000000 ] - [ -0.0080578900000000, 0.0046522300000000, -0.0094698200000000 ] - [ 0.0080578900000000, 0.0046522300000000, -0.0094698200000000 ] - [ 0.0000000000000000, -0.0093044500000000, -0.0094698200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0033396300000000 ] - [ -0.0000455800000000, 0.0000263100000000, -0.0002648500000000 ] - [ 0.0000455800000000, 0.0000263100000000, -0.0002648500000000 ] - [ 0.0000000000000000, -0.0000526300000000, -0.0002648500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000659400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003107000000000 ] - [ 0.0000000000000000, -0.0001845100000000, -0.0001418200000000 ] - [ 0.0001597900000000, 0.0000922500000000, -0.0001418200000000 ] - [ -0.0001597900000000, 0.0000922500000000, -0.0001418200000000 ] - [ 0.0000040200000000, -0.0000023200000000, 0.0000601800000000 ] - [ -0.0000040200000000, -0.0000023200000000, 0.0000601800000000 ] - [ 0.0000000000000000, 0.0000046400000000, 0.0000601800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000560600000000 ] - [ 0.0000002800000000, -0.0000001600000000, -0.0003311200000000 ] - [ -0.0000002800000000, -0.0000001600000000, -0.0003311200000000 ] - [ 0.0000000000000000, 0.0000003200000000, -0.0003311200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003314700000000 ] - [ 0.0000003600000000, 0.0000002100000000, -0.0008500500000000 ] - [ -0.0000003600000000, 0.0000002100000000, -0.0008500500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008766900000000 ] - [ 0.0000000000000000, -0.0000004200000000, -0.0008500500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002607600000000 ] - [ 0.0000000000000000, -0.0000002500000000, 0.0002714500000000 ] - [ 0.0000002200000000, 0.0000001300000000, 0.0002714500000000 ] - [ -0.0000002200000000, 0.0000001300000000, 0.0002714500000000 ] - [ 0.0000648400000000, 0.0000374400000000, -0.0005276000000000 ] - [ -0.0000648400000000, 0.0000374400000000, -0.0005276000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004680500000000 ] - [ 0.0000000000000000, -0.0000748700000000, -0.0005276000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0378000800000000 ] - [ 0.0000000000000000, -0.0001360600000000, 0.0024978000000000 ] - [ 0.0001178300000000, 0.0000680300000000, 0.0024978000000000 ] - [ -0.0001178300000000, 0.0000680300000000, 0.0024978000000000 ] - [ 0.0000008200000000, -0.0000004700000000, 0.0005372000000000 ] - [ -0.0000008200000000, -0.0000004700000000, 0.0005372000000000 ] - [ 0.0000000000000000, 0.0000009400000000, 0.0005372000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001480400000000 ] - [ -0.0000000300000000, 0.0000000200000000, 0.0004661100000000 ] - [ 0.0000000300000000, 0.0000000200000000, 0.0004661100000000 ] - [ 0.0000000000000000, -0.0000000300000000, 0.0004661100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004667000000000 ] - [ -0.0000017100000000, -0.0000009800000000, -0.0004473100000000 ] - [ 0.0000017100000000, -0.0000009800000000, -0.0004473100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004451200000000 ] - [ 0.0000000000000000, 0.0000019700000000, -0.0004473100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006291400000000 ] - [ 0.0000000000000000, 0.0000048000000000, 0.0006267500000000 ] - [ -0.0000041600000000, -0.0000024000000000, 0.0006267500000000 ] - [ 0.0000041600000000, -0.0000024000000000, 0.0006267500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003062900000000 ] - [ 0.0000000000000000, -0.0000001600000000, 0.0003061600000000 ] - [ 0.0000001400000000, 0.0000000800000000, 0.0003061600000000 ] - [ -0.0000001400000000, 0.0000000800000000, 0.0003061600000000 ] - [ -0.0000002300000000, -0.0000001300000000, -0.0002167800000000 ] - [ 0.0000002300000000, -0.0000001300000000, -0.0002167800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002161100000000 ] - [ 0.0000000000000000, 0.0000002600000000, -0.0002167800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008617300000000 ] - [ 0.0000000000000000, -0.0001843800000000, 0.0007330300000000 ] - [ 0.0001596800000000, 0.0000921900000000, 0.0007330300000000 ] - [ -0.0001596800000000, 0.0000921900000000, 0.0007330300000000 ] - [ -0.0035016400000000, -0.0020216700000000, -0.0043605000000000 ] - [ 0.0035016400000000, -0.0020216700000000, -0.0043605000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004078300000000 ] - [ 0.0000000000000000, 0.0040433400000000, -0.0043605000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003533200000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0003538300000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0003538300000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0003538300000000 ] - [ 0.0000001100000000, 0.0000000600000000, -0.0003287900000000 ] - [ -0.0000001100000000, 0.0000000600000000, -0.0003287900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003281200000000 ] - [ 0.0000000000000000, -0.0000001200000000, -0.0003287900000000 ] - [ 0.0005842100000000, 0.0003372900000000, -0.0013544700000000 ] - [ -0.0005842100000000, 0.0003372900000000, -0.0013544700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006230200000000 ] - [ 0.0000000000000000, -0.0006745900000000, -0.0013544700000000 ]- atom: 53 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000001300000000, -0.0000000800000000, 0.0001058000000000 ] - [ 0.0000000600000000, -0.0000000900000000, 0.0001057900000000 ] - [ -0.0000002300000000, -0.0000002200000000, 0.0001057800000000 ] - [ -0.0000002500000000, 0.0000001200000000, 0.0001057900000000 ] - [ -0.0000003200000000, 0.0000000200000000, 0.0001300900000000 ] - [ -0.0000006100000000, 0.0000000300000000, 0.0001300700000000 ] - [ -0.0000001300000000, -0.0000001200000000, 0.0001297600000000 ] - [ -0.0000001100000000, 0.0000001200000000, 0.0001303700000000 ] - [ 0.0000002000000000, -0.0000000400000000, -0.0000186500000000 ] - [ -0.0000004300000000, -0.0000000400000000, -0.0000186500000000 ] - [ -0.0000007400000000, -0.0000002100000000, -0.0000186500000000 ] - [ -0.0000007400000000, 0.0000001400000000, -0.0000186500000000 ] - [ -0.0000002200000000, 0.0000007900000000, -0.0001179000000000 ] - [ -0.0000002400000000, -0.0000006300000000, -0.0001191200000000 ] - [ 0.0000010000000000, 0.0000000600000000, -0.0001185200000000 ] - [ -0.0000011600000000, 0.0000000500000000, -0.0001185100000000 ] - [ -0.0000285900000000, -0.0000000100000000, -0.0004206400000000 ] - [ -0.0000831100000000, 0.0000007100000000, -0.0004204500000000 ] - [ 0.0000177900000000, 0.0000577300000000, -0.0004102600000000 ] - [ 0.0000192500000000, -0.0000595800000000, -0.0004320600000000 ] - [ -0.0000027100000000, 0.0000000000000000, -0.0002825600000000 ] - [ 0.0000017600000000, -0.0000000300000000, -0.0002825700000000 ] - [ 0.0000005000000000, -0.0000007800000000, -0.0002832900000000 ] - [ 0.0000004600000000, 0.0000007000000000, -0.0002818000000000 ] - [ 0.0059803900000000, -0.0033452100000000, -0.0066494900000000 ] - [ 0.0057202500000000, 0.0031467100000000, 0.0056844700000000 ] - [ 0.0002292200000000, -0.0000132100000000, -0.0003364300000000 ] - [ -0.0009379800000000, -0.0000061100000000, -0.0003396300000000 ] - [ 0.0000069900000000, 0.0000001400000000, -0.0000975000000000 ] - [ 0.0000061100000000, -0.0000001400000000, -0.0000977600000000 ] - [ -0.0000210600000000, -0.0000159400000000, -0.0000479800000000 ] - [ -0.0000214800000000, 0.0000156600000000, -0.0001470000000000 ] - [ 0.0000008700000000, 0.0000000000000000, -0.0002535200000000 ] - [ -0.0000007300000000, 0.0000000000000000, -0.0002535200000000 ] - [ -0.0000005700000000, 0.0000000900000000, -0.0002535200000000 ] - [ -0.0000005800000000, -0.0000000900000000, -0.0002535300000000 ] - [ -0.0000004000000000, 0.0000000600000000, -0.0007764100000000 ] - [ -0.0000002200000000, 0.0000000600000000, -0.0007764100000000 ] - [ -0.0000003800000000, 0.0000000600000000, -0.0007766800000000 ] - [ -0.0000003800000000, 0.0000000900000000, -0.0007761500000000 ] - [ -0.0000156600000000, 0.0000052900000000, 0.0003589600000000 ] - [ -0.0000157000000000, -0.0000054600000000, 0.0003346200000000 ] - [ -0.0000063600000000, -0.0000001100000000, 0.0003464500000000 ] - [ 0.0001279300000000, 0.0000000200000000, 0.0003471700000000 ] - [ -0.0020345200000000, 0.0000056500000000, -0.0004294300000000 ] - [ -0.0007414300000000, 0.0000048600000000, -0.0004337300000000 ] - [ 0.0018104300000000, -0.0022072900000000, 0.0030553500000000 ] - [ 0.0018057300000000, 0.0022298400000000, -0.0039528900000000 ] - [ -0.0000155600000000, 0.0000050500000000, 0.0007441700000000 ] - [ -0.0000158700000000, -0.0000051300000000, 0.0007456200000000 ] - [ -0.0000069000000000, 0.0000000200000000, 0.0007453600000000 ] - [ 0.0001265700000000, -0.0000000600000000, 0.0007458500000000 ] - [ -0.0273912900000000, 0.0001849700000000, 0.0007884900000000 ] - [ 0.0106537300000000, 0.0000051700000000, 0.0005306500000000 ] - [ 0.0019739400000000, -0.0050200600000000, 0.0006478900000000 ] - [ 0.0019641300000000, 0.0050073600000000, 0.0004049200000000 ] - [ 0.0000025100000000, 0.0000000300000000, 0.0005437600000000 ] - [ -0.0000009300000000, 0.0000000300000000, 0.0005437200000000 ] - [ -0.0000003900000000, 0.0000003400000000, 0.0005447700000000 ] - [ -0.0000003900000000, -0.0000002800000000, 0.0005427100000000 ] - [ -0.0000446000000000, 0.0000002000000000, -0.0003680400000000 ] - [ 0.0000281400000000, 0.0000002700000000, -0.0003681200000000 ] - [ 0.0000082000000000, -0.0000304300000000, -0.0003999900000000 ] - [ 0.0000083900000000, 0.0000306400000000, -0.0003361700000000 ] - [ 0.0000002500000000, -0.0000001700000000, 0.0007062100000000 ] - [ 0.0000002600000000, -0.0000000500000000, 0.0007061200000000 ] - [ 0.0000001500000000, -0.0000001100000000, 0.0007061700000000 ] - [ -0.0000001900000000, -0.0000001100000000, 0.0007061800000000 ] - [ -0.0000005000000000, -0.0000001700000000, 0.0003851600000000 ] - [ -0.0000005100000000, 0.0000003900000000, 0.0003850100000000 ] - [ -0.0000009900000000, 0.0000001200000000, 0.0003850900000000 ] - [ -0.0000005600000000, 0.0000001200000000, 0.0003850800000000 ] - [ 0.0000003500000000, 0.0000003300000000, -0.0001386400000000 ] - [ -0.0000004600000000, 0.0000003300000000, -0.0001386200000000 ] - [ 0.0000001700000000, 0.0000004400000000, -0.0001387900000000 ] - [ 0.0000001400000000, 0.0000002200000000, -0.0001384700000000 ] - [ -0.0000004100000000, 0.0000005800000000, 0.0008528300000000 ] - [ -0.0000004000000000, -0.0000007200000000, 0.0008535700000000 ] - [ 0.0000007100000000, -0.0000000600000000, 0.0008532000000000 ] - [ -0.0000008500000000, -0.0000000600000000, 0.0008531900000000 ] - [ -0.0000153700000000, 0.0000004700000000, -0.0005681900000000 ] - [ -0.0000221300000000, 0.0000006700000000, -0.0005684500000000 ] - [ 0.0004655800000000, -0.0002756600000000, -0.0011883300000000 ] - [ 0.0004707600000000, 0.0002827300000000, 0.0000667200000000 ] - [ 0.0000001000000000, -0.0000003400000000, 0.0004313600000000 ] - [ 0.0000001300000000, -0.0000002200000000, 0.0004313700000000 ] - [ 0.0000000000000000, -0.0000002900000000, 0.0004313900000000 ] - [ -0.0000001100000000, -0.0000002800000000, 0.0004313700000000 ] - [ -0.0000003500000000, -0.0000000900000000, -0.0002497900000000 ] - [ 0.0000009800000000, -0.0000001000000000, -0.0002498000000000 ] - [ 0.0000002800000000, -0.0000004500000000, -0.0002487300000000 ] - [ 0.0000002600000000, 0.0000002700000000, -0.0002508600000000 ] - [ -0.0000003100000000, 0.0000001300000000, -0.0007009000000000 ] - [ -0.0000023700000000, 0.0000001300000000, -0.0007008800000000 ] - [ 0.0000018700000000, -0.0000011500000000, -0.0006983000000000 ] - [ 0.0000018600000000, 0.0000013700000000, -0.0007034200000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0000491800000000 ] - [ 0.0000000000000000, -0.0000002700000000, -0.0000489800000000 ] - [ 0.0000002300000000, 0.0000001300000000, -0.0000489800000000 ] - [ -0.0000002300000000, 0.0000001300000000, -0.0000489800000000 ] - [ 0.0000000000000000, -0.0000004700000000, -0.0000226000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000223900000000 ] - [ -0.0000004000000000, 0.0000002300000000, -0.0000226000000000 ] - [ 0.0000004000000000, 0.0000002300000000, -0.0000226000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001746400000000 ] - [ 0.0000000000000000, -0.0000000900000000, -0.0001749300000000 ] - [ 0.0000000800000000, 0.0000000400000000, -0.0001749300000000 ] - [ -0.0000000800000000, 0.0000000400000000, -0.0001749300000000 ] - [ 0.0000041000000000, -0.0000023700000000, -0.0002769000000000 ] - [ -0.0000041000000000, -0.0000023700000000, -0.0002769000000000 ] - [ 0.0000000000000000, 0.0000047400000000, -0.0002769000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002727500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005843400000000 ] - [ 0.0000000000000000, 0.0002971000000000, -0.0004659100000000 ] - [ -0.0002573000000000, -0.0001485500000000, -0.0004659100000000 ] - [ 0.0002573000000000, -0.0001485500000000, -0.0004659100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004469800000000 ] - [ 0.0000000000000000, 0.0000054500000000, -0.0004351200000000 ] - [ -0.0000047200000000, -0.0000027300000000, -0.0004351200000000 ] - [ 0.0000047200000000, -0.0000027300000000, -0.0004351200000000 ] - [ -0.0078139800000000, 0.0045114000000000, 0.0086064700000000 ] - [ 0.0078139800000000, 0.0045114000000000, 0.0086064700000000 ] - [ 0.0000000000000000, -0.0090228100000000, 0.0086064700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025730700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001319400000000 ] - [ 0.0000000000000000, -0.0001834700000000, -0.0002996600000000 ] - [ 0.0001588900000000, 0.0000917400000000, -0.0002996600000000 ] - [ -0.0001588900000000, 0.0000917400000000, -0.0002996600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001809300000000 ] - [ 0.0000000000000000, 0.0000000400000000, -0.0001818300000000 ] - [ -0.0000000300000000, -0.0000000200000000, -0.0001818300000000 ] - [ 0.0000000300000000, -0.0000000200000000, -0.0001818300000000 ] - [ 0.0000000000000000, -0.0000001800000000, -0.0007024900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007020700000000 ] - [ -0.0000001500000000, 0.0000000900000000, -0.0007024900000000 ] - [ 0.0000001500000000, 0.0000000900000000, -0.0007024900000000 ] - [ 0.0000006600000000, -0.0000003800000000, 0.0003410900000000 ] - [ -0.0000006600000000, -0.0000003800000000, 0.0003410900000000 ] - [ 0.0000000000000000, 0.0000007600000000, 0.0003410900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007287100000000 ] - [ 0.0000000000000000, 0.0039916600000000, 0.0032918100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014148200000000 ] - [ 0.0034568800000000, -0.0019958300000000, 0.0032918100000000 ] - [ -0.0034568800000000, -0.0019958300000000, 0.0032918100000000 ] - [ -0.0000128600000000, 0.0000074300000000, 0.0007394300000000 ] - [ 0.0000128600000000, 0.0000074300000000, 0.0007394300000000 ] - [ 0.0000000000000000, -0.0000148500000000, 0.0007394300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011325000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0361229600000000 ] - [ 0.0000000000000000, -0.0001439000000000, -0.0012465800000000 ] - [ 0.0001246200000000, 0.0000719500000000, -0.0012465800000000 ] - [ -0.0001246200000000, 0.0000719500000000, -0.0012465800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006349000000000 ] - [ 0.0000000000000000, -0.0000002400000000, 0.0006243100000000 ] - [ 0.0000002000000000, 0.0000001200000000, 0.0006243100000000 ] - [ -0.0000002000000000, 0.0000001200000000, 0.0006243100000000 ] - [ 0.0000000000000000, -0.0000745000000000, -0.0002806700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003398700000000 ] - [ -0.0000645200000000, 0.0000372500000000, -0.0002806700000000 ] - [ 0.0000645200000000, 0.0000372500000000, -0.0002806700000000 ] - [ -0.0000000600000000, 0.0000000400000000, 0.0007889600000000 ] - [ 0.0000000600000000, 0.0000000400000000, 0.0007889600000000 ] - [ 0.0000000000000000, -0.0000000700000000, 0.0007889600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007876300000000 ] - [ 0.0000000100000000, -0.0000000100000000, 0.0004681100000000 ] - [ -0.0000000100000000, -0.0000000100000000, 0.0004681100000000 ] - [ 0.0000000000000000, 0.0000000100000000, 0.0004681100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004676700000000 ] - [ 0.0000000000000000, -0.0000001000000000, -0.0000643200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000648800000000 ] - [ -0.0000000900000000, 0.0000000500000000, -0.0000643200000000 ] - [ 0.0000000900000000, 0.0000000500000000, -0.0000643200000000 ] - [ 0.0000045500000000, -0.0000026200000000, 0.0009347200000000 ] - [ -0.0000045500000000, -0.0000026200000000, 0.0009347200000000 ] - [ 0.0000000000000000, 0.0000052500000000, 0.0009347200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009338600000000 ] - [ 0.0000000000000000, -0.0005692200000000, 0.0000931400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006538900000000 ] - [ -0.0004929600000000, 0.0002846100000000, 0.0000931400000000 ] - [ 0.0004929600000000, 0.0002846100000000, 0.0000931400000000 ] - [ -0.0000000600000000, 0.0000000300000000, 0.0005124300000000 ] - [ 0.0000000600000000, 0.0000000300000000, 0.0005124300000000 ] - [ 0.0000000000000000, -0.0000000700000000, 0.0005124300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005118300000000 ] - [ 0.0000000000000000, 0.0000019500000000, -0.0001760300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001780700000000 ] - [ 0.0000016900000000, -0.0000009700000000, -0.0001760300000000 ] - [ -0.0000016900000000, -0.0000009700000000, -0.0001760300000000 ] - [ 0.0000000000000000, 0.0000010400000000, -0.0006233200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006338900000000 ] - [ 0.0000009000000000, -0.0000005200000000, -0.0006233200000000 ] - [ -0.0000009000000000, -0.0000005200000000, -0.0006233200000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0002617000000000 ] - [ 0.0000000000000000, 0.0000004200000000, 0.0002615100000000 ] - [ -0.0000003600000000, -0.0000002100000000, 0.0002615100000000 ] - [ 0.0000003600000000, -0.0000002100000000, 0.0002615100000000 ] - [ 0.0000000000000000, 0.0000003100000000, 0.0002882400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002879600000000 ] - [ 0.0000002700000000, -0.0000001500000000, 0.0002882400000000 ] - [ -0.0000002700000000, -0.0000001500000000, 0.0002882400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001372600000000 ] - [ 0.0000000000000000, 0.0000001100000000, 0.0001374100000000 ] - [ -0.0000001000000000, -0.0000000600000000, 0.0001374100000000 ] - [ 0.0000001000000000, -0.0000000600000000, 0.0001374100000000 ] - [ -0.0000038800000000, 0.0000022400000000, 0.0000356600000000 ] - [ 0.0000038800000000, 0.0000022400000000, 0.0000356600000000 ] - [ 0.0000000000000000, -0.0000044800000000, 0.0000356600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000315000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002578400000000 ] - [ 0.0000000000000000, -0.0002896300000000, -0.0003754100000000 ] - [ 0.0002508300000000, 0.0001448200000000, -0.0003754100000000 ] - [ -0.0002508300000000, 0.0001448200000000, -0.0003754100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001174300000000 ] - [ 0.0000000000000000, -0.0000053600000000, -0.0001294200000000 ] - [ 0.0000046400000000, 0.0000026800000000, -0.0001294200000000 ] - [ -0.0000046400000000, 0.0000026800000000, -0.0001294200000000 ] - [ 0.0080547600000000, -0.0046504200000000, -0.0093920500000000 ] - [ -0.0080547600000000, -0.0046504200000000, -0.0093920500000000 ] - [ 0.0000000000000000, 0.0093008400000000, -0.0093920500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032735300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000656800000000 ] - [ 0.0000000000000000, 0.0001845700000000, 0.0001030300000000 ] - [ -0.0001598500000000, -0.0000922900000000, 0.0001030300000000 ] - [ 0.0001598500000000, -0.0000922900000000, 0.0001030300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003333800000000 ] - [ 0.0000000000000000, -0.0000000400000000, -0.0003322100000000 ] - [ 0.0000000300000000, 0.0000000200000000, -0.0003322100000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0003322100000000 ] - [ 0.0000000000000000, 0.0000002300000000, -0.0008560100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008561700000000 ] - [ 0.0000002000000000, -0.0000001200000000, -0.0008560100000000 ] - [ -0.0000002000000000, -0.0000001200000000, -0.0008560100000000 ] - [ -0.0000007800000000, 0.0000004500000000, 0.0003600400000000 ] - [ 0.0000007800000000, 0.0000004500000000, 0.0003600400000000 ] - [ 0.0000000000000000, -0.0000009000000000, 0.0003600400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000288100000000 ] - [ 0.0000000000000000, -0.0040508500000000, -0.0042305400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005406900000000 ] - [ -0.0035081400000000, 0.0020254300000000, -0.0042305400000000 ] - [ 0.0035081400000000, 0.0020254300000000, -0.0042305400000000 ] - [ 0.0000124500000000, -0.0000071900000000, 0.0007559200000000 ] - [ -0.0000124500000000, -0.0000071900000000, 0.0007559200000000 ] - [ 0.0000000000000000, 0.0000143800000000, 0.0007559200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003727500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0375860500000000 ] - [ 0.0000000000000000, 0.0001369300000000, 0.0022971300000000 ] - [ -0.0001185900000000, -0.0000684700000000, 0.0022971300000000 ] - [ 0.0001185900000000, -0.0000684700000000, 0.0022971300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004612600000000 ] - [ 0.0000000000000000, 0.0000002700000000, 0.0004719400000000 ] - [ -0.0000002400000000, -0.0000001400000000, 0.0004719400000000 ] - [ 0.0000002400000000, -0.0000001400000000, 0.0004719400000000 ] - [ 0.0000000000000000, 0.0000748500000000, -0.0004613900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004018600000000 ] - [ 0.0000648200000000, -0.0000374200000000, -0.0004613900000000 ] - [ -0.0000648200000000, -0.0000374200000000, -0.0004613900000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0006306100000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0006306100000000 ] - [ 0.0000000000000000, 0.0000000300000000, 0.0006306100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006316200000000 ] - [ -0.0000000400000000, 0.0000000200000000, 0.0003088100000000 ] - [ 0.0000000400000000, 0.0000000200000000, 0.0003088100000000 ] - [ 0.0000000000000000, -0.0000000500000000, 0.0003088100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003094700000000 ] - [ 0.0000000000000000, 0.0000001400000000, -0.0002166900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002160400000000 ] - [ 0.0000001200000000, -0.0000000700000000, -0.0002166900000000 ] - [ -0.0000001200000000, -0.0000000700000000, -0.0002166900000000 ] - [ -0.0000044700000000, 0.0000025800000000, 0.0007770300000000 ] - [ 0.0000044700000000, 0.0000025800000000, 0.0007770300000000 ] - [ 0.0000000000000000, -0.0000051600000000, 0.0007770300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007778400000000 ] - [ 0.0000000000000000, 0.0005514300000000, -0.0012137100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004911500000000 ] - [ 0.0004775600000000, -0.0002757200000000, -0.0012137100000000 ] - [ -0.0004775600000000, -0.0002757200000000, -0.0012137100000000 ] - [ 0.0000000400000000, -0.0000000200000000, 0.0003554700000000 ] - [ -0.0000000400000000, -0.0000000200000000, 0.0003554700000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0003554700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003560400000000 ] - [ 0.0000000000000000, -0.0000019800000000, -0.0003299700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003276800000000 ] - [ -0.0000017100000000, 0.0000009900000000, -0.0003299700000000 ] - [ 0.0000017100000000, 0.0000009900000000, -0.0003299700000000 ] - [ 0.0000000000000000, -0.0000010000000000, -0.0007827300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007726300000000 ] - [ -0.0000008600000000, 0.0000005000000000, -0.0007827300000000 ] - [ 0.0000008600000000, 0.0000005000000000, -0.0007827300000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000001600000000, -0.0000000700000000, 0.0001057600000000 ] - [ -0.0000004100000000, -0.0000000800000000, 0.0001057600000000 ] - [ -0.0000007400000000, -0.0000002400000000, 0.0001057300000000 ] - [ -0.0000007500000000, 0.0000001400000000, 0.0001057600000000 ] - [ -0.0000035300000000, 0.0000000200000000, 0.0001300400000000 ] - [ 0.0000036200000000, 0.0000000300000000, 0.0001300300000000 ] - [ -0.0000001100000000, -0.0000019900000000, 0.0001313500000000 ] - [ -0.0000000800000000, 0.0000019800000000, 0.0001287000000000 ] - [ 0.0000070000000000, 0.0000001300000000, -0.0000186300000000 ] - [ 0.0000059300000000, -0.0000001300000000, -0.0000188800000000 ] - [ -0.0000208400000000, -0.0000157200000000, 0.0000308100000000 ] - [ -0.0000212200000000, 0.0000154100000000, -0.0000680500000000 ] - [ 0.0059767500000000, -0.0033423400000000, -0.0064207000000000 ] - [ 0.0057166100000000, 0.0031440200000000, 0.0059085200000000 ] - [ 0.0002304000000000, -0.0000131600000000, -0.0001100700000000 ] - [ -0.0009385000000000, -0.0000061000000000, -0.0001132400000000 ] - [ 0.0000001900000000, -0.0000000100000000, -0.0004215000000000 ] - [ 0.0000001200000000, 0.0000000100000000, -0.0004214900000000 ] - [ -0.0000001700000000, -0.0000001500000000, -0.0004214800000000 ] - [ -0.0000001600000000, 0.0000001800000000, -0.0004215200000000 ] - [ 0.0000005000000000, -0.0000000100000000, -0.0002825900000000 ] - [ 0.0000001800000000, -0.0000000500000000, -0.0002826000000000 ] - [ 0.0000003700000000, 0.0000000700000000, -0.0002825600000000 ] - [ 0.0000003300000000, -0.0000001200000000, -0.0002826400000000 ] - [ 0.0000008700000000, -0.0000015400000000, -0.0003440800000000 ] - [ 0.0000012300000000, 0.0000018000000000, -0.0003452800000000 ] - [ -0.0000015600000000, -0.0000004500000000, -0.0003447700000000 ] - [ 0.0000007300000000, 0.0000000200000000, -0.0003449900000000 ] - [ -0.0000285600000000, -0.0000000300000000, -0.0000967700000000 ] - [ -0.0000828000000000, 0.0000006600000000, -0.0000965900000000 ] - [ 0.0000177700000000, 0.0000575100000000, -0.0000864600000000 ] - [ 0.0000191900000000, -0.0000594200000000, -0.0001081300000000 ] - [ 0.0000014200000000, 0.0000000000000000, -0.0002535500000000 ] - [ -0.0000004800000000, -0.0000000100000000, -0.0002535500000000 ] - [ 0.0000004500000000, 0.0000005300000000, -0.0002523200000000 ] - [ 0.0000004400000000, -0.0000005400000000, -0.0002547900000000 ] - [ 0.0000002300000000, 0.0000000700000000, -0.0007764500000000 ] - [ -0.0000005900000000, 0.0000000700000000, -0.0007764500000000 ] - [ 0.0000000300000000, 0.0000001900000000, -0.0007766200000000 ] - [ 0.0000000300000000, -0.0000000400000000, -0.0007762700000000 ] - [ -0.0000151700000000, 0.0000050000000000, 0.0003457700000000 ] - [ -0.0000154800000000, -0.0000054500000000, 0.0003471800000000 ] - [ -0.0000062800000000, -0.0000001600000000, 0.0003469400000000 ] - [ 0.0001272100000000, -0.0000002400000000, 0.0003474300000000 ] - [ -0.0000005100000000, -0.0000001400000000, -0.0004352700000000 ] - [ -0.0000025600000000, -0.0000001400000000, -0.0004352600000000 ] - [ 0.0000012500000000, -0.0000011600000000, -0.0004328500000000 ] - [ 0.0000012300000000, 0.0000008600000000, -0.0004376300000000 ] - [ 0.0000003300000000, -0.0000000800000000, 0.0007450600000000 ] - [ 0.0000003400000000, 0.0000001000000000, 0.0007450300000000 ] - [ 0.0000001800000000, 0.0000000000000000, 0.0007450500000000 ] - [ -0.0000000800000000, 0.0000000000000000, 0.0007450500000000 ] - [ 0.0000025500000000, -0.0000000200000000, 0.0005270500000000 ] - [ -0.0000007600000000, -0.0000000200000000, 0.0005270600000000 ] - [ -0.0000002100000000, 0.0000002900000000, 0.0005272800000000 ] - [ -0.0000002000000000, -0.0000003400000000, 0.0005267800000000 ] - [ -0.0273895300000000, 0.0001851300000000, 0.0008080800000000 ] - [ 0.0106546400000000, 0.0000052300000000, 0.0005472200000000 ] - [ 0.0019740900000000, -0.0050204400000000, 0.0006648400000000 ] - [ 0.0019642800000000, 0.0050078600000000, 0.0004211700000000 ] - [ -0.0000156700000000, 0.0000004900000000, -0.0003686400000000 ] - [ -0.0000220500000000, 0.0000006900000000, -0.0003689000000000 ] - [ 0.0004628700000000, -0.0002742500000000, -0.0009865100000000 ] - [ 0.0004680900000000, 0.0002813700000000, 0.0002640400000000 ] - [ 0.0000002400000000, -0.0000001700000000, 0.0007060800000000 ] - [ 0.0000002500000000, -0.0000000500000000, 0.0007061400000000 ] - [ 0.0000001400000000, -0.0000001100000000, 0.0007061100000000 ] - [ 0.0000000200000000, -0.0000001100000000, 0.0007061300000000 ] - [ -0.0000008000000000, 0.0000002800000000, 0.0003888500000000 ] - [ -0.0000007900000000, -0.0000000600000000, 0.0003812100000000 ] - [ -0.0000005000000000, 0.0000001100000000, 0.0003850500000000 ] - [ -0.0000007600000000, 0.0000001100000000, 0.0003850300000000 ] - [ -0.0000429900000000, 0.0000003500000000, -0.0001386200000000 ] - [ 0.0000274400000000, 0.0000004100000000, -0.0001386700000000 ] - [ 0.0000086600000000, -0.0000296100000000, -0.0001702900000000 ] - [ 0.0000088100000000, 0.0000301200000000, -0.0001070100000000 ] - [ 0.0000000200000000, -0.0000003500000000, 0.0008532100000000 ] - [ 0.0000000200000000, 0.0000002300000000, 0.0008530700000000 ] - [ -0.0000004700000000, -0.0000000700000000, 0.0008531400000000 ] - [ -0.0000000300000000, -0.0000000600000000, 0.0008531500000000 ] - [ -0.0000003800000000, 0.0000001500000000, -0.0005676700000000 ] - [ -0.0000001200000000, 0.0000001600000000, -0.0005676700000000 ] - [ -0.0000003200000000, 0.0000001300000000, -0.0005679800000000 ] - [ -0.0000003200000000, 0.0000001900000000, -0.0005673700000000 ] - [ -0.0000153900000000, 0.0000050100000000, 0.0004432000000000 ] - [ -0.0000154100000000, -0.0000053900000000, 0.0004194900000000 ] - [ -0.0000064100000000, -0.0000002200000000, 0.0004310200000000 ] - [ 0.0001251800000000, -0.0000000700000000, 0.0004317000000000 ] - [ -0.0020342200000000, 0.0000057200000000, -0.0002440300000000 ] - [ -0.0007415000000000, 0.0000049000000000, -0.0002483500000000 ] - [ 0.0018108300000000, -0.0022072900000000, 0.0032400400000000 ] - [ 0.0018060900000000, 0.0022299400000000, -0.0037667600000000 ] - [ 0.0000003600000000, 0.0000001200000000, -0.0007009000000000 ] - [ -0.0000004700000000, 0.0000001300000000, -0.0007008900000000 ] - [ 0.0000001000000000, 0.0000002700000000, -0.0007007900000000 ] - [ 0.0000001000000000, -0.0000000300000000, -0.0007010000000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0000497700000000 ] - [ 0.0000000000000000, -0.0000000800000000, -0.0000499600000000 ] - [ 0.0000000700000000, 0.0000000400000000, -0.0000499600000000 ] - [ -0.0000000700000000, 0.0000000400000000, -0.0000499600000000 ] - [ 0.0000000000000000, -0.0000012400000000, -0.0000252900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000265900000000 ] - [ -0.0000010700000000, 0.0000006200000000, -0.0000252900000000 ] - [ 0.0000010700000000, 0.0000006200000000, -0.0000252900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000540200000000 ] - [ 0.0000000000000000, -0.0001823800000000, -0.0002210500000000 ] - [ 0.0001579500000000, 0.0000911900000000, -0.0002210500000000 ] - [ -0.0001579500000000, 0.0000911900000000, -0.0002210500000000 ] - [ -0.0078105700000000, 0.0045094400000000, 0.0088351800000000 ] - [ 0.0078105700000000, 0.0045094400000000, 0.0088351800000000 ] - [ 0.0000000000000000, -0.0090188700000000, 0.0088351800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028028000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005776000000000 ] - [ 0.0000000000000000, 0.0000001600000000, -0.0005769900000000 ] - [ -0.0000001400000000, -0.0000000800000000, -0.0005769900000000 ] - [ 0.0000001400000000, -0.0000000800000000, -0.0005769900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004394700000000 ] - [ 0.0000000000000000, -0.0000000400000000, -0.0004385100000000 ] - [ 0.0000000300000000, 0.0000000200000000, -0.0004385100000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0004385100000000 ] - [ -0.0000091900000000, 0.0000053000000000, -0.0004988000000000 ] - [ 0.0000091900000000, 0.0000053000000000, -0.0004988000000000 ] - [ 0.0000000000000000, -0.0000106100000000, -0.0004988000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005046000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002599900000000 ] - [ 0.0000000000000000, 0.0002968900000000, -0.0001418300000000 ] - [ -0.0002571100000000, -0.0001484400000000, -0.0001418300000000 ] - [ 0.0002571100000000, -0.0001484400000000, -0.0001418300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001761200000000 ] - [ 0.0000000000000000, -0.0000014000000000, -0.0001759700000000 ] - [ 0.0000012100000000, 0.0000007000000000, -0.0001759700000000 ] - [ -0.0000012100000000, 0.0000007000000000, -0.0001759700000000 ] - [ 0.0000000000000000, -0.0000001300000000, -0.0006978300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006984800000000 ] - [ -0.0000001100000000, 0.0000000600000000, -0.0006978300000000 ] - [ 0.0000001100000000, 0.0000000600000000, -0.0006978300000000 ] - [ -0.0000122700000000, 0.0000070800000000, 0.0003358100000000 ] - [ 0.0000122700000000, 0.0000070800000000, 0.0003358100000000 ] - [ 0.0000000000000000, -0.0000141600000000, 0.0003358100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007275500000000 ] - [ 0.0000000000000000, -0.0000004600000000, -0.0003541300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003646400000000 ] - [ -0.0000004000000000, 0.0000002300000000, -0.0003541300000000 ] - [ 0.0000004000000000, 0.0000002300000000, -0.0003541300000000 ] - [ 0.0000000500000000, -0.0000000300000000, 0.0008232500000000 ] - [ -0.0000000500000000, -0.0000000300000000, 0.0008232500000000 ] - [ 0.0000000000000000, 0.0000000600000000, 0.0008232500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008224800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006127000000000 ] - [ 0.0000000000000000, -0.0000011700000000, 0.0006021500000000 ] - [ 0.0000010100000000, 0.0000005800000000, 0.0006021500000000 ] - [ -0.0000010100000000, 0.0000005800000000, 0.0006021500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0360963800000000 ] - [ 0.0000000000000000, -0.0001442300000000, -0.0012351100000000 ] - [ 0.0001249100000000, 0.0000721200000000, -0.0012351100000000 ] - [ -0.0001249100000000, 0.0000721200000000, -0.0012351100000000 ] - [ 0.0000000000000000, -0.0005663700000000, 0.0002953500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004493300000000 ] - [ -0.0004904900000000, 0.0002831800000000, 0.0002953500000000 ] - [ 0.0004904900000000, 0.0002831800000000, 0.0002953500000000 ] - [ -0.0000000400000000, 0.0000000200000000, 0.0007841900000000 ] - [ 0.0000000400000000, 0.0000000200000000, 0.0007841900000000 ] - [ 0.0000000000000000, -0.0000000500000000, 0.0007841900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007836400000000 ] - [ -0.0000009400000000, 0.0000005400000000, 0.0004651900000000 ] - [ 0.0000009400000000, 0.0000005400000000, 0.0004651900000000 ] - [ 0.0000000000000000, -0.0000010800000000, 0.0004651900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004588900000000 ] - [ 0.0000000000000000, -0.0000740000000000, -0.0000475400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001064500000000 ] - [ -0.0000640900000000, 0.0000370000000000, -0.0000475400000000 ] - [ 0.0000640900000000, 0.0000370000000000, -0.0000475400000000 ] - [ 0.0000000200000000, -0.0000000100000000, 0.0009314300000000 ] - [ -0.0000000200000000, -0.0000000100000000, 0.0009314300000000 ] - [ 0.0000000000000000, 0.0000000200000000, 0.0009314300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009309500000000 ] - [ 0.0000000000000000, -0.0000003000000000, -0.0004893000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004898500000000 ] - [ -0.0000002600000000, 0.0000001500000000, -0.0004893000000000 ] - [ 0.0000002600000000, 0.0000001500000000, -0.0004893000000000 ] - [ 0.0000004600000000, -0.0000002700000000, 0.0004227100000000 ] - [ -0.0000004600000000, -0.0000002700000000, 0.0004227100000000 ] - [ 0.0000000000000000, 0.0000005300000000, 0.0004227100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008052400000000 ] - [ 0.0000000000000000, 0.0039914700000000, 0.0034788600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012267000000000 ] - [ 0.0034567200000000, -0.0019957400000000, 0.0034788600000000 ] - [ -0.0034567200000000, -0.0019957400000000, 0.0034788600000000 ] - [ 0.0000000000000000, 0.0000002600000000, -0.0006222400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006229200000000 ] - [ 0.0000002300000000, -0.0000001300000000, -0.0006222400000000 ] - [ -0.0000002300000000, -0.0000001300000000, -0.0006222400000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0002614900000000 ] - [ 0.0000000000000000, 0.0000001300000000, 0.0002615700000000 ] - [ -0.0000001100000000, -0.0000000600000000, 0.0002615700000000 ] - [ 0.0000001100000000, -0.0000000600000000, 0.0002615700000000 ] - [ 0.0000000000000000, 0.0000011700000000, 0.0002878000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002890900000000 ] - [ 0.0000010100000000, -0.0000005800000000, 0.0002878000000000 ] - [ -0.0000010100000000, -0.0000005800000000, 0.0002878000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000151100000000 ] - [ 0.0000000000000000, 0.0001835400000000, 0.0001832400000000 ] - [ -0.0001589500000000, -0.0000917700000000, 0.0001832400000000 ] - [ 0.0001589500000000, -0.0000917700000000, 0.0001832400000000 ] - [ 0.0080511600000000, -0.0046483400000000, -0.0091648000000000 ] - [ -0.0080511600000000, -0.0046483400000000, -0.0091648000000000 ] - [ 0.0000000000000000, 0.0092966700000000, -0.0091648000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030474200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002667100000000 ] - [ 0.0000000000000000, -0.0000001900000000, -0.0002671600000000 ] - [ 0.0000001700000000, 0.0000001000000000, -0.0002671600000000 ] - [ -0.0000001700000000, 0.0000001000000000, -0.0002671600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001260900000000 ] - [ 0.0000000000000000, 0.0000000100000000, -0.0001269000000000 ] - [ -0.0000000100000000, 0.0000000000000000, -0.0001269000000000 ] - [ 0.0000000100000000, 0.0000000000000000, -0.0001269000000000 ] - [ 0.0000086900000000, -0.0000050200000000, -0.0001933800000000 ] - [ -0.0000086900000000, -0.0000050200000000, -0.0001933800000000 ] - [ 0.0000000000000000, 0.0000100400000000, -0.0001933800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001883700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000655600000000 ] - [ 0.0000000000000000, -0.0002893500000000, -0.0000517000000000 ] - [ 0.0002505900000000, 0.0001446800000000, -0.0000517000000000 ] - [ -0.0002505900000000, 0.0001446800000000, -0.0000517000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003332200000000 ] - [ 0.0000000000000000, 0.0000013900000000, -0.0003333900000000 ] - [ -0.0000012000000000, -0.0000006900000000, -0.0003333900000000 ] - [ 0.0000012000000000, -0.0000006900000000, -0.0003333900000000 ] - [ 0.0000000000000000, 0.0000001600000000, -0.0008569600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008560200000000 ] - [ 0.0000001400000000, -0.0000000800000000, -0.0008569600000000 ] - [ -0.0000001400000000, -0.0000000800000000, -0.0008569600000000 ] - [ 0.0000119000000000, -0.0000068700000000, 0.0003583800000000 ] - [ -0.0000119000000000, -0.0000068700000000, 0.0003583800000000 ] - [ 0.0000000000000000, 0.0000137400000000, 0.0003583800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000233000000000 ] - [ 0.0000000000000000, 0.0000004700000000, -0.0005172100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005070200000000 ] - [ 0.0000004000000000, -0.0000002300000000, -0.0005172100000000 ] - [ -0.0000004000000000, -0.0000002300000000, -0.0005172100000000 ] - [ -0.0000000600000000, 0.0000000300000000, 0.0006699100000000 ] - [ 0.0000000600000000, 0.0000000300000000, 0.0006699100000000 ] - [ 0.0000000000000000, -0.0000000600000000, 0.0006699100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006706800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004447900000000 ] - [ 0.0000000000000000, 0.0000011400000000, 0.0004550500000000 ] - [ -0.0000009900000000, -0.0000005700000000, 0.0004550500000000 ] - [ 0.0000009900000000, -0.0000005700000000, 0.0004550500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0376027000000000 ] - [ 0.0000000000000000, 0.0001374000000000, 0.0023149300000000 ] - [ -0.0001189900000000, -0.0000687000000000, 0.0023149300000000 ] - [ 0.0001189900000000, -0.0000687000000000, 0.0023149300000000 ] - [ 0.0000000000000000, 0.0005486100000000, -0.0010127300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002923600000000 ] - [ 0.0004751100000000, -0.0002743100000000, -0.0010127300000000 ] - [ -0.0004751100000000, -0.0002743100000000, -0.0010127300000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0006311700000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0006311700000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0006311700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006314700000000 ] - [ 0.0000009400000000, -0.0000005400000000, 0.0003072200000000 ] - [ -0.0000009400000000, -0.0000005400000000, 0.0003072200000000 ] - [ 0.0000000000000000, 0.0000010800000000, 0.0003072200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003136200000000 ] - [ 0.0000000000000000, 0.0000744500000000, -0.0002299100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001703800000000 ] - [ 0.0000644800000000, -0.0000372300000000, -0.0002299100000000 ] - [ -0.0000644800000000, -0.0000372300000000, -0.0002299100000000 ] - [ -0.0000000400000000, 0.0000000200000000, 0.0007773300000000 ] - [ 0.0000000400000000, 0.0000000200000000, 0.0007773300000000 ] - [ 0.0000000000000000, -0.0000000400000000, 0.0007773300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007777400000000 ] - [ 0.0000000000000000, 0.0000002700000000, -0.0006478200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006473500000000 ] - [ 0.0000002400000000, -0.0000001400000000, -0.0006478200000000 ] - [ -0.0000002400000000, -0.0000001400000000, -0.0006478200000000 ] - [ -0.0000006000000000, 0.0000003400000000, 0.0004420700000000 ] - [ 0.0000006000000000, 0.0000003400000000, 0.0004420700000000 ] - [ 0.0000000000000000, -0.0000006900000000, 0.0004420700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000581100000000 ] - [ 0.0000000000000000, -0.0040509100000000, -0.0040450300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007260700000000 ] - [ -0.0035082000000000, 0.0020254600000000, -0.0040450300000000 ] - [ 0.0035082000000000, 0.0020254600000000, -0.0040450300000000 ] - [ 0.0000000000000000, -0.0000002500000000, -0.0007809900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007803700000000 ] - [ -0.0000002200000000, 0.0000001300000000, -0.0007809900000000 ] - [ 0.0000002200000000, 0.0000001300000000, -0.0007809900000000 ]- atom: 61 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000002300000000, -0.0000000700000000, 0.0001063200000000 ] - [ -0.0000005100000000, -0.0000000900000000, 0.0001063200000000 ] - [ -0.0000000100000000, -0.0000001800000000, 0.0001060100000000 ] - [ -0.0000000200000000, 0.0000000800000000, 0.0001066100000000 ] - [ 0.0000001500000000, 0.0000000100000000, 0.0001306200000000 ] - [ -0.0000000300000000, 0.0000000300000000, 0.0001306000000000 ] - [ -0.0000002700000000, -0.0000001300000000, 0.0001306300000000 ] - [ -0.0000002400000000, 0.0000001300000000, 0.0001305700000000 ] - [ -0.0000001800000000, -0.0000004900000000, -0.0000182900000000 ] - [ -0.0000005900000000, -0.0000000800000000, -0.0000181200000000 ] - [ 0.0000010800000000, -0.0000008900000000, -0.0000189300000000 ] - [ 0.0000013500000000, 0.0000010500000000, -0.0000179100000000 ] - [ 0.0000049900000000, 0.0000302600000000, -0.0001318400000000 ] - [ 0.0000033500000000, -0.0000312100000000, -0.0001050200000000 ] - [ -0.0001464500000000, 0.0000028500000000, -0.0001183500000000 ] - [ -0.0000490700000000, 0.0000001200000000, -0.0001176000000000 ] - [ 0.0000021300000000, 0.0000000000000000, -0.0004209200000000 ] - [ -0.0000019700000000, 0.0000000000000000, -0.0004209200000000 ] - [ -0.0000000400000000, 0.0000012700000000, -0.0004208900000000 ] - [ -0.0000000300000000, -0.0000012300000000, -0.0004209700000000 ] - [ 0.0000004900000000, -0.0000000200000000, -0.0002820200000000 ] - [ 0.0000004000000000, -0.0000000500000000, -0.0002820300000000 ] - [ 0.0000001400000000, 0.0000001800000000, -0.0002818500000000 ] - [ 0.0000001000000000, -0.0000002500000000, -0.0002822000000000 ] - [ -0.0000040400000000, 0.0000985700000000, -0.0004148600000000 ] - [ -0.0000039800000000, -0.0000986800000000, -0.0002739700000000 ] - [ 0.0002048400000000, 0.0000000700000000, -0.0003443500000000 ] - [ -0.0001748400000000, 0.0000000700000000, -0.0003444100000000 ] - [ 0.0002139400000000, -0.0000150500000000, -0.0001063400000000 ] - [ -0.0009369800000000, -0.0000064900000000, -0.0001024200000000 ] - [ 0.0058745300000000, -0.0032921600000000, 0.0060932100000000 ] - [ 0.0056122100000000, 0.0030939000000000, -0.0060131100000000 ] - [ 0.0000003000000000, 0.0000000000000000, -0.0002538000000000 ] - [ 0.0000000700000000, -0.0000000100000000, -0.0002537900000000 ] - [ 0.0000004500000000, -0.0000000900000000, -0.0002538800000000 ] - [ 0.0000004600000000, 0.0000000900000000, -0.0002537300000000 ] - [ -0.0000000600000000, 0.0000000600000000, -0.0007767000000000 ] - [ -0.0000005900000000, 0.0000000600000000, -0.0007766900000000 ] - [ 0.0000005900000000, 0.0000007500000000, -0.0007767300000000 ] - [ 0.0000006000000000, -0.0000006100000000, -0.0007766600000000 ] - [ 0.0018060600000000, 0.0022291000000000, 0.0038416600000000 ] - [ 0.0018091600000000, -0.0022071700000000, -0.0031210300000000 ] - [ -0.0007415900000000, 0.0000045200000000, 0.0003449700000000 ] - [ -0.0020342400000000, 0.0000065000000000, 0.0003399700000000 ] - [ 0.0000283500000000, -0.0000000800000000, -0.0004354900000000 ] - [ -0.0000057300000000, 0.0000000500000000, -0.0004358400000000 ] - [ -0.0000461800000000, -0.0000233400000000, -0.0006039700000000 ] - [ -0.0000459100000000, 0.0000232200000000, -0.0002672000000000 ] - [ 0.0000002700000000, 0.0000003700000000, 0.0007465200000000 ] - [ 0.0000002700000000, -0.0000003500000000, 0.0007431100000000 ] - [ 0.0000009600000000, -0.0000000100000000, 0.0007448200000000 ] - [ -0.0000003400000000, 0.0000000000000000, 0.0007448200000000 ] - [ -0.0000447500000000, -0.0000000100000000, 0.0005267100000000 ] - [ 0.0000280600000000, -0.0000000800000000, 0.0005268400000000 ] - [ 0.0000083800000000, -0.0000306300000000, 0.0004620800000000 ] - [ 0.0000083100000000, 0.0000306700000000, 0.0005916700000000 ] - [ -0.0000156700000000, -0.0000037200000000, 0.0005473100000000 ] - [ -0.0000220300000000, -0.0000000700000000, 0.0005437900000000 ] - [ 0.0004685700000000, -0.0002808600000000, 0.0000546000000000 ] - [ 0.0004623900000000, 0.0002747600000000, 0.0010202100000000 ] - [ -0.0269250100000000, 0.0002009700000000, -0.0006370800000000 ] - [ 0.0107454100000000, 0.0000052500000000, -0.0003714700000000 ] - [ 0.0019953000000000, -0.0050600100000000, -0.0005258700000000 ] - [ 0.0019855700000000, 0.0050485500000000, -0.0002090000000000 ] - [ 0.0000005700000000, -0.0000002900000000, 0.0007059900000000 ] - [ 0.0000005800000000, 0.0000000700000000, 0.0007057800000000 ] - [ 0.0000000500000000, -0.0000001000000000, 0.0007058900000000 ] - [ 0.0000008800000000, -0.0000001100000000, 0.0007059000000000 ] - [ -0.0000004000000000, 0.0000001000000000, 0.0003844900000000 ] - [ -0.0000004000000000, 0.0000001200000000, 0.0003851100000000 ] - [ -0.0000001300000000, 0.0000001100000000, 0.0003848100000000 ] - [ -0.0000003800000000, 0.0000001100000000, 0.0003848000000000 ] - [ 0.0000021900000000, 0.0000003100000000, -0.0001389300000000 ] - [ -0.0000005600000000, 0.0000003200000000, -0.0001389200000000 ] - [ -0.0000001700000000, 0.0000005600000000, -0.0001387300000000 ] - [ -0.0000001700000000, 0.0000001100000000, -0.0001390900000000 ] - [ 0.0000005200000000, -0.0000002400000000, 0.0008527700000000 ] - [ 0.0000005400000000, 0.0000001100000000, 0.0008530600000000 ] - [ -0.0000001500000000, -0.0000000700000000, 0.0008529200000000 ] - [ 0.0000008200000000, -0.0000000700000000, 0.0008529200000000 ] - [ 0.0000020700000000, 0.0000001500000000, -0.0005679200000000 ] - [ -0.0000008800000000, 0.0000001600000000, -0.0005679200000000 ] - [ -0.0000004700000000, 0.0000004000000000, -0.0005676800000000 ] - [ -0.0000004700000000, -0.0000000800000000, -0.0005681900000000 ] - [ 0.0000010400000000, 0.0000006700000000, 0.0004305800000000 ] - [ 0.0000010700000000, -0.0000012600000000, 0.0004315700000000 ] - [ -0.0000026600000000, -0.0000002800000000, 0.0004311100000000 ] - [ -0.0000006200000000, -0.0000002900000000, 0.0004311400000000 ] - [ 0.0000279900000000, 0.0000002000000000, -0.0002498300000000 ] - [ -0.0000059700000000, 0.0000005800000000, -0.0002506300000000 ] - [ -0.0000453800000000, -0.0000236600000000, -0.0002808600000000 ] - [ -0.0000464500000000, 0.0000224600000000, -0.0002192500000000 ] - [ 0.0000000700000000, 0.0000001200000000, -0.0007011600000000 ] - [ -0.0000002000000000, 0.0000001200000000, -0.0007011500000000 ] - [ -0.0000002800000000, 0.0000000700000000, -0.0007012500000000 ] - [ -0.0000002800000000, 0.0000001700000000, -0.0007010500000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000004000000000, -0.0000507100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000504800000000 ] - [ -0.0000003500000000, 0.0000002000000000, -0.0000507100000000 ] - [ 0.0000003500000000, 0.0000002000000000, -0.0000507100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000263700000000 ] - [ 0.0000000000000000, -0.0000002700000000, -0.0000262300000000 ] - [ 0.0000002400000000, 0.0000001400000000, -0.0000262300000000 ] - [ -0.0000002400000000, 0.0000001400000000, -0.0000262300000000 ] - [ 0.0000000000000000, 0.0000055900000000, -0.0001756900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001752800000000 ] - [ 0.0000048400000000, -0.0000027900000000, -0.0001756900000000 ] - [ -0.0000048400000000, -0.0000027900000000, -0.0001756900000000 ] - [ 0.0000348500000000, 0.0000201200000000, -0.0001298400000000 ] - [ -0.0000348500000000, 0.0000201200000000, -0.0001298400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004679100000000 ] - [ 0.0000000000000000, -0.0000402400000000, -0.0001298400000000 ] - [ 0.0000000000000000, -0.0000035000000000, -0.0005784500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005755900000000 ] - [ -0.0000030300000000, 0.0000017500000000, -0.0005784500000000 ] - [ 0.0000030300000000, 0.0000017500000000, -0.0005784500000000 ] - [ 0.0000000000000000, 0.0000002100000000, -0.0004396500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004390000000000 ] - [ 0.0000001800000000, -0.0000001100000000, -0.0004396500000000 ] - [ -0.0000001800000000, -0.0000001100000000, -0.0004396500000000 ] - [ -0.0000023500000000, -0.0000013600000000, -0.0004912700000000 ] - [ 0.0000023500000000, -0.0000013600000000, -0.0004912700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005412500000000 ] - [ 0.0000000000000000, 0.0000027100000000, -0.0004912700000000 ] - [ 0.0000000000000000, 0.0092734500000000, 0.0089334500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028225900000000 ] - [ 0.0080310400000000, -0.0046367300000000, 0.0089334500000000 ] - [ -0.0080310400000000, -0.0046367300000000, 0.0089334500000000 ] - [ 0.0000000000000000, -0.0000000800000000, -0.0001763100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001770900000000 ] - [ -0.0000000700000000, 0.0000000400000000, -0.0001763100000000 ] - [ 0.0000000700000000, 0.0000000400000000, -0.0001763100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006981300000000 ] - [ 0.0000000000000000, 0.0000000300000000, -0.0006986000000000 ] - [ -0.0000000300000000, -0.0000000200000000, -0.0006986000000000 ] - [ 0.0000000300000000, -0.0000000200000000, -0.0006986000000000 ] - [ 0.0035291800000000, 0.0020375700000000, 0.0041390500000000 ] - [ -0.0035291800000000, 0.0020375700000000, 0.0041390500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006301400000000 ] - [ 0.0000000000000000, -0.0040751400000000, 0.0041390500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004495300000000 ] - [ 0.0000000000000000, -0.0000356800000000, -0.0003081300000000 ] - [ 0.0000309000000000, 0.0000178400000000, -0.0003081300000000 ] - [ -0.0000309000000000, 0.0000178400000000, -0.0003081300000000 ] - [ 0.0000010200000000, 0.0000005900000000, 0.0008249900000000 ] - [ -0.0000010200000000, 0.0000005900000000, 0.0008249900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008228300000000 ] - [ 0.0000000000000000, -0.0000011800000000, 0.0008249900000000 ] - [ 0.0000000000000000, -0.0000368400000000, 0.0006191500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005596300000000 ] - [ -0.0000319000000000, 0.0000184200000000, 0.0006191500000000 ] - [ 0.0000319000000000, 0.0000184200000000, 0.0006191500000000 ] - [ 0.0000000000000000, -0.0007105000000000, 0.0011861000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004665600000000 ] - [ -0.0006153100000000, 0.0003552500000000, 0.0011861000000000 ] - [ 0.0006153100000000, 0.0003552500000000, 0.0011861000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0375693400000000 ] - [ 0.0000000000000000, 0.0001790000000000, -0.0020677800000000 ] - [ -0.0001550200000000, -0.0000895000000000, -0.0020677800000000 ] - [ 0.0001550200000000, -0.0000895000000000, -0.0020677800000000 ] - [ 0.0000002300000000, 0.0000001300000000, 0.0007859100000000 ] - [ -0.0000002300000000, 0.0000001300000000, 0.0007859100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007852400000000 ] - [ 0.0000000000000000, -0.0000002700000000, 0.0007859100000000 ] - [ -0.0000002900000000, -0.0000001700000000, 0.0004647500000000 ] - [ 0.0000002900000000, -0.0000001700000000, 0.0004647500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004641900000000 ] - [ 0.0000000000000000, 0.0000003400000000, 0.0004647500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000548900000000 ] - [ 0.0000000000000000, -0.0000002300000000, -0.0000626400000000 ] - [ 0.0000002000000000, 0.0000001100000000, -0.0000626400000000 ] - [ -0.0000002000000000, 0.0000001100000000, -0.0000626400000000 ] - [ -0.0000000800000000, -0.0000000400000000, 0.0009326900000000 ] - [ 0.0000000800000000, -0.0000000400000000, 0.0009326900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009320000000000 ] - [ 0.0000000000000000, 0.0000000900000000, 0.0009326900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004831900000000 ] - [ 0.0000000000000000, -0.0000002400000000, -0.0004913900000000 ] - [ 0.0000002100000000, 0.0000001200000000, -0.0004913900000000 ] - [ -0.0000002100000000, 0.0000001200000000, -0.0004913900000000 ] - [ 0.0000024000000000, 0.0000013900000000, 0.0005125400000000 ] - [ -0.0000024000000000, 0.0000013900000000, 0.0005125400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005022500000000 ] - [ 0.0000000000000000, -0.0000027800000000, 0.0005125400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002621100000000 ] - [ 0.0000000000000000, -0.0001913100000000, -0.0001235700000000 ] - [ 0.0001656800000000, 0.0000956600000000, -0.0001235700000000 ] - [ -0.0001656800000000, 0.0000956600000000, -0.0001235700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006227800000000 ] - [ 0.0000000000000000, -0.0000000400000000, -0.0006224200000000 ] - [ 0.0000000300000000, 0.0000000200000000, -0.0006224200000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0006224200000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000002400000000, 0.0002651700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002649800000000 ] - [ 0.0000002100000000, -0.0000001200000000, 0.0002651700000000 ] - [ -0.0000002100000000, -0.0000001200000000, 0.0002651700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002921600000000 ] - [ 0.0000000000000000, 0.0000004300000000, 0.0002917700000000 ] - [ -0.0000003700000000, -0.0000002200000000, 0.0002917700000000 ] - [ 0.0000003700000000, -0.0000002200000000, 0.0002917700000000 ] - [ 0.0000000000000000, -0.0000062000000000, 0.0001401100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001402900000000 ] - [ -0.0000053700000000, 0.0000031000000000, 0.0001401100000000 ] - [ 0.0000053700000000, 0.0000031000000000, 0.0001401100000000 ] - [ -0.0000364100000000, -0.0000210200000000, -0.0001106900000000 ] - [ 0.0000364100000000, -0.0000210200000000, -0.0001106900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002362500000000 ] - [ 0.0000000000000000, 0.0000420500000000, -0.0001106900000000 ] - [ 0.0000000000000000, 0.0000035000000000, -0.0002627200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002654900000000 ] - [ 0.0000030300000000, -0.0000017500000000, -0.0002627200000000 ] - [ -0.0000030300000000, -0.0000017500000000, -0.0002627200000000 ] - [ 0.0000000000000000, -0.0000001400000000, -0.0001226600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001233300000000 ] - [ -0.0000001200000000, 0.0000000700000000, -0.0001226600000000 ] - [ 0.0000001200000000, 0.0000000700000000, -0.0001226600000000 ] - [ 0.0000025000000000, 0.0000014400000000, -0.0001984800000000 ] - [ -0.0000025000000000, 0.0000014400000000, -0.0001984800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001490300000000 ] - [ 0.0000000000000000, -0.0000028800000000, -0.0001984800000000 ] - [ 0.0000000000000000, -0.0089954900000000, -0.0090334500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030080700000000 ] - [ -0.0077903200000000, 0.0044977400000000, -0.0090334500000000 ] - [ 0.0077903200000000, 0.0044977400000000, -0.0090334500000000 ] - [ 0.0000000000000000, 0.0000001100000000, -0.0003349400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003339300000000 ] - [ 0.0000001000000000, -0.0000000600000000, -0.0003349400000000 ] - [ -0.0000001000000000, -0.0000000600000000, -0.0003349400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008580100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008577500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008577500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008577500000000 ] - [ -0.0034777500000000, -0.0020078800000000, -0.0033812900000000 ] - [ 0.0034777500000000, -0.0020078800000000, -0.0033812900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013253000000000 ] - [ 0.0000000000000000, 0.0040157500000000, -0.0033812900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004242500000000 ] - [ 0.0000000000000000, 0.0000357500000000, -0.0005649200000000 ] - [ -0.0000309600000000, -0.0000178700000000, -0.0005649200000000 ] - [ 0.0000309600000000, -0.0000178700000000, -0.0005649200000000 ] - [ -0.0000009700000000, -0.0000005600000000, 0.0006672000000000 ] - [ 0.0000009700000000, -0.0000005600000000, 0.0006672000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006691500000000 ] - [ 0.0000000000000000, 0.0000011200000000, 0.0006672000000000 ] - [ 0.0000000000000000, 0.0000365800000000, 0.0004373100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004964400000000 ] - [ 0.0000316800000000, -0.0000182900000000, 0.0004373100000000 ] - [ -0.0000316800000000, -0.0000182900000000, 0.0004373100000000 ] - [ 0.0000000000000000, 0.0007335200000000, -0.0001178000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006278800000000 ] - [ 0.0006352500000000, -0.0003667600000000, -0.0001178000000000 ] - [ -0.0006352500000000, -0.0003667600000000, -0.0001178000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0363736800000000 ] - [ 0.0000000000000000, -0.0001868900000000, 0.0013369200000000 ] - [ 0.0001618500000000, 0.0000934400000000, 0.0013369200000000 ] - [ -0.0001618500000000, 0.0000934400000000, 0.0013369200000000 ] - [ -0.0000002100000000, -0.0000001200000000, 0.0006284800000000 ] - [ 0.0000002100000000, -0.0000001200000000, 0.0006284800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006289500000000 ] - [ 0.0000000000000000, 0.0000002400000000, 0.0006284800000000 ] - [ 0.0000002700000000, 0.0000001600000000, 0.0003069700000000 ] - [ -0.0000002700000000, 0.0000001600000000, 0.0003069700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003074500000000 ] - [ 0.0000000000000000, -0.0000003200000000, 0.0003069700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002246900000000 ] - [ 0.0000000000000000, 0.0000002700000000, -0.0002169600000000 ] - [ -0.0000002300000000, -0.0000001300000000, -0.0002169600000000 ] - [ 0.0000002300000000, -0.0000001300000000, -0.0002169600000000 ] - [ 0.0000000900000000, 0.0000000500000000, 0.0007750100000000 ] - [ -0.0000000900000000, 0.0000000500000000, 0.0007750100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007757600000000 ] - [ 0.0000000000000000, -0.0000001000000000, 0.0007750100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006553200000000 ] - [ 0.0000000000000000, 0.0000002700000000, -0.0006474500000000 ] - [ -0.0000002300000000, -0.0000001300000000, -0.0006474500000000 ] - [ 0.0000002300000000, -0.0000001300000000, -0.0006474500000000 ] - [ -0.0000024000000000, -0.0000013800000000, 0.0003509700000000 ] - [ 0.0000024000000000, -0.0000013800000000, 0.0003509700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003613800000000 ] - [ 0.0000000000000000, 0.0000027700000000, 0.0003509700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002382800000000 ] - [ 0.0000000000000000, 0.0001964300000000, -0.0003807200000000 ] - [ -0.0001701200000000, -0.0000982200000000, -0.0003807200000000 ] - [ 0.0001701200000000, -0.0000982200000000, -0.0003807200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007821200000000 ] - [ 0.0000000000000000, 0.0000000700000000, -0.0007824700000000 ] - [ -0.0000000600000000, -0.0000000400000000, -0.0007824700000000 ] - [ 0.0000000600000000, -0.0000000400000000, -0.0007824700000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0056230700000000, -0.0031011300000000, 0.0060332300000000 ] - [ 0.0058855500000000, 0.0032993500000000, -0.0060958800000000 ] - [ 0.0002123900000000, 0.0000150800000000, 0.0001152000000000 ] - [ -0.0009392500000000, 0.0000064000000000, 0.0001112400000000 ] - [ 0.0000034700000000, 0.0000314100000000, 0.0001172600000000 ] - [ 0.0000050600000000, -0.0000302600000000, 0.0001439900000000 ] - [ -0.0001476500000000, -0.0000028000000000, 0.0001304900000000 ] - [ -0.0000491400000000, -0.0000000900000000, 0.0001297700000000 ] - [ 0.0000014200000000, -0.0000011400000000, -0.0000187900000000 ] - [ 0.0000011700000000, 0.0000008200000000, -0.0000177300000000 ] - [ -0.0000001300000000, 0.0000004100000000, -0.0000184000000000 ] - [ -0.0000005300000000, 0.0000000000000000, -0.0000185500000000 ] - [ 0.0000001200000000, 0.0000000600000000, -0.0001184300000000 ] - [ 0.0000000000000000, 0.0000000800000000, -0.0001184300000000 ] - [ -0.0000002500000000, -0.0000000900000000, -0.0001184000000000 ] - [ -0.0000002500000000, 0.0000001900000000, -0.0001184800000000 ] - [ 0.0000000400000000, -0.0000018000000000, -0.0004223000000000 ] - [ 0.0000000600000000, 0.0000018100000000, -0.0004204500000000 ] - [ -0.0000030700000000, 0.0000000000000000, -0.0004213800000000 ] - [ 0.0000034600000000, 0.0000000200000000, -0.0004213700000000 ] - [ -0.0000116900000000, 0.0000895100000000, -0.0001887100000000 ] - [ -0.0000118900000000, -0.0000893800000000, -0.0003761500000000 ] - [ 0.0001431300000000, 0.0000000600000000, -0.0002825600000000 ] - [ -0.0001113800000000, -0.0000000700000000, -0.0002824800000000 ] - [ 0.0000000800000000, 0.0000000000000000, -0.0003448500000000 ] - [ -0.0000004100000000, 0.0000000200000000, -0.0003448700000000 ] - [ -0.0000008000000000, -0.0000001900000000, -0.0003448100000000 ] - [ -0.0000007800000000, 0.0000002500000000, -0.0003449000000000 ] - [ 0.0000000800000000, -0.0000001500000000, -0.0000977600000000 ] - [ 0.0000000900000000, 0.0000000700000000, -0.0000971800000000 ] - [ -0.0000001100000000, -0.0000000200000000, -0.0000974800000000 ] - [ -0.0000004300000000, -0.0000000200000000, -0.0000974700000000 ] - [ 0.0004671400000000, -0.0002770400000000, -0.0007344100000000 ] - [ 0.0004732400000000, 0.0002831600000000, 0.0002391900000000 ] - [ -0.0000149200000000, 0.0000037700000000, -0.0002574900000000 ] - [ -0.0000214900000000, 0.0000001000000000, -0.0002539900000000 ] - [ 0.0018063700000000, 0.0022098600000000, 0.0026867600000000 ] - [ 0.0018033600000000, -0.0022320800000000, -0.0042675300000000 ] - [ -0.0007391300000000, -0.0000046400000000, -0.0007750400000000 ] - [ -0.0020419000000000, -0.0000066200000000, -0.0007700300000000 ] - [ 0.0000004400000000, -0.0000001800000000, 0.0003466400000000 ] - [ -0.0000000700000000, -0.0000001800000000, 0.0003466200000000 ] - [ 0.0000011100000000, 0.0000005000000000, 0.0003466000000000 ] - [ 0.0000011000000000, -0.0000008700000000, 0.0003466600000000 ] - [ 0.0000006500000000, -0.0000003100000000, -0.0004354700000000 ] - [ 0.0000006500000000, 0.0000000300000000, -0.0004351700000000 ] - [ -0.0000000400000000, -0.0000001500000000, -0.0004353200000000 ] - [ 0.0000009500000000, -0.0000001400000000, -0.0004353300000000 ] - [ 0.0000008900000000, 0.0000000000000000, 0.0007449800000000 ] - [ 0.0000013000000000, 0.0000000100000000, 0.0007450000000000 ] - [ -0.0000000400000000, -0.0000007800000000, 0.0007491300000000 ] - [ -0.0000000400000000, 0.0000007700000000, 0.0007408500000000 ] - [ -0.0000001700000000, -0.0000000700000000, 0.0005268900000000 ] - [ -0.0000001800000000, 0.0000000200000000, 0.0005270800000000 ] - [ -0.0000002500000000, -0.0000000300000000, 0.0005269800000000 ] - [ -0.0000004500000000, -0.0000000300000000, 0.0005269900000000 ] - [ -0.0000000700000000, -0.0000000600000000, 0.0005435600000000 ] - [ -0.0000000700000000, 0.0000001100000000, 0.0005437200000000 ] - [ -0.0000002200000000, 0.0000000300000000, 0.0005436300000000 ] - [ -0.0000004700000000, 0.0000000300000000, 0.0005436500000000 ] - [ 0.0000001900000000, 0.0000000000000000, -0.0003680800000000 ] - [ 0.0000001800000000, 0.0000003600000000, -0.0003682700000000 ] - [ -0.0000003400000000, 0.0000001800000000, -0.0003681800000000 ] - [ 0.0000004900000000, 0.0000001800000000, -0.0003681800000000 ] - [ -0.0269593500000000, -0.0002009000000000, 0.0009759900000000 ] - [ 0.0107547200000000, -0.0000056600000000, 0.0007094900000000 ] - [ 0.0019870300000000, -0.0050528200000000, 0.0005448100000000 ] - [ 0.0019969100000000, 0.0050647200000000, 0.0008653700000000 ] - [ 0.0000275400000000, -0.0000002000000000, 0.0003847200000000 ] - [ -0.0000063900000000, -0.0000005700000000, 0.0003855200000000 ] - [ -0.0000473300000000, -0.0000227100000000, 0.0003539700000000 ] - [ -0.0000462700000000, 0.0000239600000000, 0.0004159500000000 ] - [ 0.0000009000000000, 0.0000013200000000, -0.0001392300000000 ] - [ 0.0000008800000000, -0.0000006500000000, -0.0001382200000000 ] - [ -0.0000028500000000, 0.0000003200000000, -0.0001387300000000 ] - [ -0.0000008100000000, 0.0000003400000000, -0.0001388000000000 ] - [ 0.0000308300000000, -0.0000001600000000, 0.0008530500000000 ] - [ 0.0000268500000000, -0.0000003100000000, 0.0008534200000000 ] - [ -0.0000486600000000, -0.0000439600000000, 0.0006884200000000 ] - [ -0.0000489000000000, 0.0000433800000000, 0.0010178900000000 ] - [ -0.0000001300000000, 0.0000005700000000, -0.0005688300000000 ] - [ -0.0000001300000000, -0.0000002600000000, -0.0005666600000000 ] - [ 0.0000006600000000, 0.0000001600000000, -0.0005677500000000 ] - [ -0.0000008400000000, 0.0000001600000000, -0.0005677700000000 ] - [ 0.0000025100000000, -0.0000002600000000, 0.0004312700000000 ] - [ -0.0000002400000000, -0.0000002900000000, 0.0004312800000000 ] - [ 0.0000001500000000, -0.0000000700000000, 0.0004314600000000 ] - [ 0.0000001300000000, -0.0000005100000000, 0.0004310800000000 ] - [ 0.0000002600000000, -0.0000001000000000, -0.0002502200000000 ] - [ 0.0000002700000000, -0.0000000900000000, -0.0002496000000000 ] - [ 0.0000005300000000, -0.0000000900000000, -0.0002499100000000 ] - [ 0.0000002800000000, -0.0000000900000000, -0.0002499000000000 ] - [ 0.0000059200000000, -0.0000361500000000, -0.0006874700000000 ] - [ 0.0000058900000000, 0.0000363200000000, -0.0007143900000000 ] - [ -0.0000886300000000, 0.0000001700000000, -0.0007009800000000 ] - [ 0.0000686600000000, 0.0000001500000000, -0.0007010700000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0078046800000000, -0.0045060300000000, 0.0090450100000000 ] - [ -0.0078046800000000, -0.0045060300000000, 0.0090450100000000 ] - [ 0.0000000000000000, 0.0090120600000000, 0.0090450100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030150600000000 ] - [ 0.0000362300000000, 0.0000209200000000, 0.0001251800000000 ] - [ -0.0000362300000000, 0.0000209200000000, 0.0001251800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002229200000000 ] - [ 0.0000000000000000, -0.0000418300000000, 0.0001251800000000 ] - [ 0.0000053800000000, -0.0000031100000000, -0.0001755200000000 ] - [ -0.0000053800000000, -0.0000031100000000, -0.0001755200000000 ] - [ 0.0000000000000000, 0.0000062100000000, -0.0001755200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001757100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002777500000000 ] - [ 0.0000000000000000, -0.0000003200000000, -0.0002775600000000 ] - [ 0.0000002800000000, 0.0000001600000000, -0.0002775600000000 ] - [ -0.0000002800000000, 0.0000001600000000, -0.0002775600000000 ] - [ 0.0000015300000000, -0.0000008800000000, -0.0005783600000000 ] - [ -0.0000015300000000, -0.0000008800000000, -0.0005783600000000 ] - [ 0.0000000000000000, 0.0000017700000000, -0.0005783600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005807200000000 ] - [ 0.0000607200000000, -0.0000350600000000, -0.0004482100000000 ] - [ -0.0000607200000000, -0.0000350600000000, -0.0004482100000000 ] - [ 0.0000000000000000, 0.0000701100000000, -0.0004482100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004239100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005040700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005041500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005041500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005041500000000 ] - [ -0.0000003500000000, 0.0000002000000000, -0.0002553700000000 ] - [ 0.0000003500000000, 0.0000002000000000, -0.0002553700000000 ] - [ 0.0000000000000000, -0.0000004000000000, -0.0002553700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002552400000000 ] - [ -0.0006399200000000, 0.0003694600000000, 0.0004112000000000 ] - [ 0.0006399200000000, 0.0003694600000000, 0.0004112000000000 ] - [ 0.0000000000000000, -0.0007389200000000, 0.0004112000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003390900000000 ] - [ 0.0034768300000000, 0.0020073500000000, 0.0029520900000000 ] - [ -0.0034768300000000, 0.0020073500000000, 0.0029520900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017531600000000 ] - [ 0.0000000000000000, -0.0040147000000000, 0.0029520900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004276600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004272900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004272900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004272900000000 ] - [ -0.0000000400000000, -0.0000000300000000, -0.0003575600000000 ] - [ 0.0000000400000000, -0.0000000300000000, -0.0003575600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003582300000000 ] - [ 0.0000000000000000, 0.0000000500000000, -0.0003575600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008252700000000 ] - [ 0.0000000000000000, 0.0000004000000000, 0.0008274700000000 ] - [ -0.0000003500000000, -0.0000002000000000, 0.0008274700000000 ] - [ 0.0000003500000000, -0.0000002000000000, 0.0008274700000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0006080400000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0006080400000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0006080400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006069200000000 ] - [ -0.0000000400000000, 0.0000000200000000, 0.0006253700000000 ] - [ 0.0000000400000000, 0.0000000200000000, 0.0006253700000000 ] - [ 0.0000000000000000, -0.0000000500000000, 0.0006253700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006243400000000 ] - [ 0.0000002000000000, 0.0000001200000000, -0.0002911400000000 ] - [ -0.0000002000000000, 0.0000001200000000, -0.0002911400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002918300000000 ] - [ 0.0000000000000000, -0.0000002300000000, -0.0002911400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0360672100000000 ] - [ 0.0000000000000000, 0.0001890400000000, -0.0010001200000000 ] - [ -0.0001637200000000, -0.0000945200000000, -0.0010001200000000 ] - [ 0.0001637200000000, -0.0000945200000000, -0.0010001200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003733100000000 ] - [ 0.0000000000000000, -0.0001968900000000, 0.0005160400000000 ] - [ 0.0001705100000000, 0.0000984400000000, 0.0005160400000000 ] - [ -0.0001705100000000, 0.0000984400000000, 0.0005160400000000 ] - [ 0.0000024900000000, 0.0000014400000000, -0.0000592400000000 ] - [ -0.0000024900000000, 0.0000014400000000, -0.0000592400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000698500000000 ] - [ 0.0000000000000000, -0.0000028700000000, -0.0000592400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008464100000000 ] - [ 0.0000000000000000, -0.0000490500000000, 0.0009788500000000 ] - [ 0.0000424800000000, 0.0000245200000000, 0.0009788500000000 ] - [ -0.0000424800000000, 0.0000245200000000, 0.0009788500000000 ] - [ -0.0000011300000000, -0.0000006500000000, -0.0004909600000000 ] - [ 0.0000011300000000, -0.0000006500000000, -0.0004909600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004912100000000 ] - [ 0.0000000000000000, 0.0000013100000000, -0.0004909600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005176900000000 ] - [ 0.0000000000000000, -0.0000002200000000, 0.0005098400000000 ] - [ 0.0000001900000000, 0.0000001100000000, 0.0005098400000000 ] - [ -0.0000001900000000, 0.0000001100000000, 0.0005098400000000 ] - [ -0.0000003100000000, -0.0000001800000000, -0.0001731200000000 ] - [ 0.0000003100000000, -0.0000001800000000, -0.0001731200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001737000000000 ] - [ 0.0000000000000000, 0.0000003500000000, -0.0001731200000000 ] - [ 0.0000130400000000, 0.0000075300000000, -0.0006426500000000 ] - [ -0.0000130400000000, 0.0000075300000000, -0.0006426500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005692600000000 ] - [ 0.0000000000000000, -0.0000150600000000, -0.0006426500000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0080453100000000, 0.0046449600000000, -0.0089246500000000 ] - [ 0.0080453100000000, 0.0046449600000000, -0.0089246500000000 ] - [ 0.0000000000000000, -0.0092899200000000, -0.0089246500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028095000000000 ] - [ -0.0000346100000000, -0.0000199800000000, 0.0001439000000000 ] - [ 0.0000346100000000, -0.0000199800000000, 0.0001439000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004829700000000 ] - [ 0.0000000000000000, 0.0000399700000000, 0.0001439000000000 ] - [ -0.0000047800000000, 0.0000027600000000, 0.0001383700000000 ] - [ 0.0000047800000000, 0.0000027600000000, 0.0001383700000000 ] - [ 0.0000000000000000, -0.0000055200000000, 0.0001383700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001379300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000362700000000 ] - [ 0.0000000000000000, 0.0000002200000000, 0.0000360500000000 ] - [ -0.0000001900000000, -0.0000001100000000, 0.0000360500000000 ] - [ 0.0000001900000000, -0.0000001100000000, 0.0000360500000000 ] - [ -0.0000015900000000, 0.0000009200000000, -0.0002662300000000 ] - [ 0.0000015900000000, 0.0000009200000000, -0.0002662300000000 ] - [ 0.0000000000000000, -0.0000018400000000, -0.0002662300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002639300000000 ] - [ -0.0000611800000000, 0.0000353200000000, -0.0001166400000000 ] - [ 0.0000611800000000, 0.0000353200000000, -0.0001166400000000 ] - [ 0.0000000000000000, -0.0000706400000000, -0.0001166400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001409000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001903800000000 ] - [ 0.0000000000000000, 0.0000000500000000, -0.0001904400000000 ] - [ -0.0000000400000000, -0.0000000200000000, -0.0001904400000000 ] - [ 0.0000000400000000, -0.0000000200000000, -0.0001904400000000 ] - [ 0.0000003000000000, -0.0000001800000000, 0.0000582700000000 ] - [ -0.0000003000000000, -0.0000001800000000, 0.0000582700000000 ] - [ 0.0000000000000000, 0.0000003500000000, 0.0000582700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000579900000000 ] - [ 0.0006197600000000, -0.0003578200000000, -0.0009046600000000 ] - [ -0.0006197600000000, -0.0003578200000000, -0.0009046600000000 ] - [ 0.0000000000000000, 0.0007156400000000, -0.0009046600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001807800000000 ] - [ -0.0035285200000000, -0.0020371900000000, -0.0045751600000000 ] - [ 0.0035285200000000, -0.0020371900000000, -0.0045751600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001934100000000 ] - [ 0.0000000000000000, 0.0040743900000000, -0.0045751600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002733900000000 ] - [ 0.0000000000000000, -0.0000000800000000, 0.0002739700000000 ] - [ 0.0000000700000000, 0.0000000400000000, 0.0002739700000000 ] - [ -0.0000000700000000, 0.0000000400000000, 0.0002739700000000 ] - [ 0.0000001000000000, 0.0000000600000000, -0.0005181800000000 ] - [ -0.0000001000000000, 0.0000000600000000, -0.0005181800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005176300000000 ] - [ 0.0000000000000000, -0.0000001100000000, -0.0005181800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006725800000000 ] - [ 0.0000000000000000, -0.0000003800000000, 0.0006704500000000 ] - [ 0.0000003300000000, 0.0000001900000000, 0.0006704500000000 ] - [ -0.0000003300000000, 0.0000001900000000, 0.0006704500000000 ] - [ -0.0000000200000000, 0.0000000100000000, 0.0004540000000000 ] - [ 0.0000000200000000, 0.0000000100000000, 0.0004540000000000 ] - [ 0.0000000000000000, -0.0000000200000000, 0.0004540000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004547300000000 ] - [ 0.0000001000000000, -0.0000000600000000, 0.0004718500000000 ] - [ -0.0000001000000000, -0.0000000600000000, 0.0004718500000000 ] - [ 0.0000000000000000, 0.0000001200000000, 0.0004718500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004724300000000 ] - [ -0.0000002600000000, -0.0000001500000000, -0.0004521100000000 ] - [ 0.0000002600000000, -0.0000001500000000, -0.0004521100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004515200000000 ] - [ 0.0000000000000000, 0.0000003000000000, -0.0004521100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0379100000000000 ] - [ 0.0000000000000000, -0.0001812000000000, 0.0024113500000000 ] - [ 0.0001569200000000, 0.0000906000000000, 0.0024113500000000 ] - [ -0.0001569200000000, 0.0000906000000000, 0.0024113500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004018600000000 ] - [ 0.0000000000000000, 0.0001918000000000, 0.0002630200000000 ] - [ -0.0001661000000000, -0.0000959000000000, 0.0002630200000000 ] - [ 0.0001661000000000, -0.0000959000000000, 0.0002630200000000 ] - [ -0.0000024100000000, -0.0000013900000000, -0.0002225200000000 ] - [ 0.0000024100000000, -0.0000013900000000, -0.0002225200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002123600000000 ] - [ 0.0000000000000000, 0.0000027900000000, -0.0002225200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008666800000000 ] - [ 0.0000000000000000, 0.0000490200000000, 0.0007337400000000 ] - [ -0.0000424500000000, -0.0000245100000000, 0.0007337400000000 ] - [ 0.0000424500000000, -0.0000245100000000, 0.0007337400000000 ] - [ 0.0000011400000000, 0.0000006600000000, -0.0006511200000000 ] - [ -0.0000011400000000, 0.0000006600000000, -0.0006511200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006508900000000 ] - [ 0.0000000000000000, -0.0000013200000000, -0.0006511200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003507700000000 ] - [ 0.0000000000000000, 0.0000002400000000, 0.0003583900000000 ] - [ -0.0000002100000000, -0.0000001200000000, 0.0003583900000000 ] - [ 0.0000002100000000, -0.0000001200000000, 0.0003583900000000 ] - [ 0.0000002400000000, 0.0000001400000000, -0.0003340800000000 ] - [ -0.0000002400000000, 0.0000001400000000, -0.0003340800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003336400000000 ] - [ 0.0000000000000000, -0.0000002800000000, -0.0003340800000000 ] - [ -0.0000131200000000, -0.0000075800000000, -0.0007645800000000 ] - [ 0.0000131200000000, -0.0000075800000000, -0.0007645800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008385000000000 ] - [ 0.0000000000000000, 0.0000151500000000, -0.0007645800000000 ]- atom: 69 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000038000000000, -0.0000987900000000, 0.0000354400000000 ] - [ -0.0000038200000000, 0.0000984900000000, 0.0001763800000000 ] - [ -0.0001746600000000, -0.0000000100000000, 0.0001058900000000 ] - [ 0.0002051300000000, 0.0000000000000000, 0.0001058400000000 ] - [ 0.0056162700000000, 0.0030963000000000, 0.0060496600000000 ] - [ 0.0058786300000000, -0.0032945700000000, -0.0060635600000000 ] - [ -0.0009370500000000, -0.0000064400000000, 0.0001355600000000 ] - [ 0.0002138700000000, -0.0000150400000000, 0.0001395000000000 ] - [ 0.0000035000000000, -0.0000313500000000, -0.0000316700000000 ] - [ 0.0000051000000000, 0.0000301400000000, -0.0000046200000000 ] - [ -0.0000489600000000, 0.0000000200000000, -0.0000189400000000 ] - [ -0.0001448800000000, 0.0000027500000000, -0.0000181600000000 ] - [ 0.0000014800000000, 0.0000000800000000, -0.0001183900000000 ] - [ -0.0000014800000000, 0.0000000900000000, -0.0001184000000000 ] - [ 0.0000003400000000, 0.0000011000000000, -0.0001189800000000 ] - [ 0.0000003600000000, -0.0000010100000000, -0.0001178500000000 ] - [ 0.0000002200000000, 0.0000002700000000, -0.0004211600000000 ] - [ 0.0000002500000000, -0.0000002600000000, -0.0004215200000000 ] - [ 0.0000007000000000, 0.0000000100000000, -0.0004213500000000 ] - [ 0.0000005100000000, 0.0000000300000000, -0.0004213400000000 ] - [ 0.0000000000000000, 0.0000003100000000, -0.0002839200000000 ] - [ 0.0000000100000000, -0.0000003800000000, -0.0002809600000000 ] - [ 0.0000005900000000, -0.0000000300000000, -0.0002824500000000 ] - [ -0.0000002200000000, -0.0000000200000000, -0.0002824400000000 ] - [ 0.0000004500000000, 0.0000000100000000, -0.0003448200000000 ] - [ 0.0000001400000000, 0.0000000200000000, -0.0003448400000000 ] - [ 0.0000002900000000, 0.0000001200000000, -0.0003448600000000 ] - [ 0.0000003100000000, -0.0000000600000000, -0.0003447900000000 ] - [ 0.0000000700000000, 0.0000000700000000, -0.0000972700000000 ] - [ 0.0000000800000000, -0.0000001300000000, -0.0000976100000000 ] - [ 0.0000002400000000, -0.0000000200000000, -0.0000974500000000 ] - [ 0.0000002900000000, -0.0000000200000000, -0.0000974400000000 ] - [ 0.0018104700000000, -0.0022077000000000, 0.0032161400000000 ] - [ 0.0018073700000000, 0.0022300100000000, -0.0037510600000000 ] - [ -0.0020341800000000, 0.0000066800000000, -0.0002471000000000 ] - [ -0.0007411500000000, 0.0000047000000000, -0.0002521300000000 ] - [ 0.0000083500000000, 0.0000305500000000, -0.0008414100000000 ] - [ 0.0000084200000000, -0.0000303200000000, -0.0007116800000000 ] - [ 0.0000280300000000, 0.0000000200000000, -0.0007765000000000 ] - [ -0.0000443300000000, 0.0000000900000000, -0.0007763900000000 ] - [ 0.0000005900000000, -0.0000001700000000, 0.0003466600000000 ] - [ 0.0000002400000000, -0.0000001800000000, 0.0003466600000000 ] - [ 0.0000002600000000, -0.0000001700000000, 0.0003466800000000 ] - [ 0.0000002500000000, -0.0000001900000000, 0.0003466500000000 ] - [ 0.0000006800000000, -0.0000002500000000, -0.0004352200000000 ] - [ 0.0000006800000000, -0.0000000300000000, -0.0004353600000000 ] - [ 0.0000001100000000, -0.0000001500000000, -0.0004352900000000 ] - [ 0.0000008800000000, -0.0000001400000000, -0.0004353000000000 ] - [ 0.0000006800000000, 0.0000000100000000, 0.0007450300000000 ] - [ 0.0000003900000000, 0.0000000100000000, 0.0007450300000000 ] - [ 0.0000003200000000, -0.0000000500000000, 0.0007449200000000 ] - [ 0.0000003200000000, 0.0000000400000000, 0.0007451400000000 ] - [ -0.0000003200000000, -0.0000003900000000, 0.0005269500000000 ] - [ -0.0000003100000000, 0.0000003400000000, 0.0005271000000000 ] - [ -0.0000009600000000, -0.0000000300000000, 0.0005270200000000 ] - [ -0.0000004600000000, -0.0000000300000000, 0.0005270300000000 ] - [ -0.0000007500000000, 0.0000002100000000, 0.0005426700000000 ] - [ -0.0000007400000000, -0.0000001800000000, 0.0005446700000000 ] - [ -0.0000004000000000, 0.0000000300000000, 0.0005436700000000 ] - [ -0.0000006100000000, 0.0000000400000000, 0.0005436700000000 ] - [ -0.0000002100000000, 0.0000002100000000, -0.0003683900000000 ] - [ -0.0000002100000000, 0.0000001500000000, -0.0003679100000000 ] - [ -0.0000000300000000, 0.0000001800000000, -0.0003681600000000 ] - [ -0.0000002600000000, 0.0000001800000000, -0.0003681500000000 ] - [ 0.0000283600000000, -0.0000000500000000, 0.0007060900000000 ] - [ -0.0000055800000000, 0.0000000800000000, 0.0007064400000000 ] - [ -0.0000463400000000, -0.0000234900000000, 0.0008744800000000 ] - [ -0.0000460800000000, 0.0000234400000000, 0.0005378800000000 ] - [ -0.0269373600000000, 0.0002006600000000, 0.0006526800000000 ] - [ 0.0107472400000000, 0.0000051700000000, 0.0003883900000000 ] - [ 0.0019957900000000, -0.0050608600000000, 0.0005416900000000 ] - [ 0.0019860300000000, 0.0050492600000000, 0.0002263900000000 ] - [ 0.0004582200000000, 0.0002724700000000, -0.0006128400000000 ] - [ 0.0004644000000000, -0.0002779600000000, 0.0003475800000000 ] - [ -0.0000214600000000, 0.0000002300000000, -0.0001390300000000 ] - [ -0.0000153500000000, -0.0000033800000000, -0.0001425400000000 ] - [ 0.0000030700000000, -0.0000000600000000, 0.0008531200000000 ] - [ -0.0000007600000000, -0.0000000600000000, 0.0008531200000000 ] - [ 0.0000000200000000, 0.0000003800000000, 0.0008528500000000 ] - [ 0.0000000100000000, -0.0000005200000000, 0.0008534000000000 ] - [ 0.0000001800000000, 0.0000000800000000, -0.0005678200000000 ] - [ 0.0000001700000000, 0.0000002400000000, -0.0005676200000000 ] - [ -0.0000006200000000, 0.0000001600000000, -0.0005677200000000 ] - [ 0.0000003100000000, 0.0000001600000000, -0.0005677400000000 ] - [ 0.0000281500000000, -0.0000000100000000, 0.0004310400000000 ] - [ -0.0000050600000000, 0.0000003700000000, 0.0004318400000000 ] - [ -0.0000450300000000, -0.0000241800000000, 0.0004624400000000 ] - [ -0.0000460700000000, 0.0000225600000000, 0.0004001200000000 ] - [ 0.0000012400000000, 0.0000008800000000, -0.0002511000000000 ] - [ 0.0000012400000000, -0.0000010600000000, -0.0002486900000000 ] - [ -0.0000007200000000, -0.0000000800000000, -0.0002498800000000 ] - [ -0.0000004400000000, -0.0000000900000000, -0.0002498500000000 ] - [ -0.0000002100000000, 0.0000008600000000, -0.0006999000000000 ] - [ -0.0000002000000000, -0.0000006100000000, -0.0007019900000000 ] - [ 0.0000012400000000, 0.0000001200000000, -0.0007009500000000 ] - [ -0.0000014800000000, 0.0000001200000000, -0.0007009500000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000024600000000, 0.0000014200000000, -0.0000408400000000 ] - [ 0.0000024600000000, 0.0000014200000000, -0.0000408400000000 ] - [ 0.0000000000000000, -0.0000028400000000, -0.0000408400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000901100000000 ] - [ 0.0077964700000000, 0.0045012900000000, 0.0090721700000000 ] - [ -0.0077964700000000, 0.0045012900000000, 0.0090721700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030432100000000 ] - [ 0.0000000000000000, -0.0090025900000000, 0.0090721700000000 ] - [ 0.0000363900000000, -0.0000210100000000, -0.0000278800000000 ] - [ -0.0000363900000000, -0.0000210100000000, -0.0000278800000000 ] - [ 0.0000000000000000, 0.0000420200000000, -0.0000278800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003755300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002715900000000 ] - [ 0.0000000000000000, 0.0000128200000000, -0.0002794700000000 ] - [ -0.0000111000000000, -0.0000064100000000, -0.0002794700000000 ] - [ 0.0000111000000000, -0.0000064100000000, -0.0002794700000000 ] - [ 0.0000001400000000, -0.0000000800000000, -0.0005793900000000 ] - [ -0.0000001400000000, -0.0000000800000000, -0.0005793900000000 ] - [ 0.0000000000000000, 0.0000001600000000, -0.0005793900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005787700000000 ] - [ -0.0000025100000000, 0.0000014500000000, -0.0004409400000000 ] - [ 0.0000025100000000, 0.0000014500000000, -0.0004409400000000 ] - [ 0.0000000000000000, -0.0000029000000000, -0.0004409400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004377100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005049500000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0005039800000000 ] - [ 0.0000000300000000, 0.0000000200000000, -0.0005039800000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0005039800000000 ] - [ 0.0000001400000000, -0.0000000800000000, -0.0002557400000000 ] - [ -0.0000001400000000, -0.0000000800000000, -0.0002557400000000 ] - [ 0.0000000000000000, 0.0000001700000000, -0.0002557400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002551900000000 ] - [ 0.0034778800000000, -0.0020079600000000, 0.0034739800000000 ] - [ -0.0034778800000000, -0.0020079600000000, 0.0034739800000000 ] - [ 0.0000000000000000, 0.0040159200000000, 0.0034739800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012331300000000 ] - [ -0.0000316900000000, -0.0000183000000000, -0.0006860500000000 ] - [ 0.0000316900000000, -0.0000183000000000, -0.0006860500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007453000000000 ] - [ 0.0000000000000000, 0.0000366000000000, -0.0006860500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004279500000000 ] - [ 0.0000000000000000, 0.0000000500000000, 0.0004282300000000 ] - [ -0.0000000400000000, -0.0000000200000000, 0.0004282300000000 ] - [ 0.0000000400000000, -0.0000000200000000, 0.0004282300000000 ] - [ 0.0000002600000000, 0.0000001500000000, -0.0003572500000000 ] - [ -0.0000002600000000, 0.0000001500000000, -0.0003572500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003579400000000 ] - [ 0.0000000000000000, -0.0000003000000000, -0.0003572500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008268300000000 ] - [ 0.0000000000000000, 0.0000000100000000, 0.0008272000000000 ] - [ -0.0000000100000000, -0.0000000100000000, 0.0008272000000000 ] - [ 0.0000000100000000, -0.0000000100000000, 0.0008272000000000 ] - [ -0.0000000300000000, 0.0000000200000000, 0.0006084400000000 ] - [ 0.0000000300000000, 0.0000000200000000, 0.0006084400000000 ] - [ 0.0000000000000000, -0.0000000300000000, 0.0006084400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006078000000000 ] - [ 0.0000038200000000, -0.0000022000000000, 0.0006274600000000 ] - [ -0.0000038200000000, -0.0000022000000000, 0.0006274600000000 ] - [ 0.0000000000000000, 0.0000044100000000, 0.0006274600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006210600000000 ] - [ -0.0000003300000000, -0.0000001900000000, -0.0002911200000000 ] - [ 0.0000003300000000, -0.0000001900000000, -0.0002911200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002918600000000 ] - [ 0.0000000000000000, 0.0000003800000000, -0.0002911200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006966600000000 ] - [ 0.0000000000000000, 0.0000358400000000, 0.0008366700000000 ] - [ -0.0000310400000000, -0.0000179200000000, 0.0008366700000000 ] - [ 0.0000310400000000, -0.0000179200000000, 0.0008366700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0363952800000000 ] - [ 0.0000000000000000, -0.0001860400000000, -0.0013191900000000 ] - [ 0.0001611200000000, 0.0000930200000000, -0.0013191900000000 ] - [ -0.0001611200000000, 0.0000930200000000, -0.0013191900000000 ] - [ -0.0006320800000000, -0.0003649300000000, 0.0005222900000000 ] - [ 0.0006320800000000, -0.0003649300000000, 0.0005222900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002218900000000 ] - [ 0.0000000000000000, 0.0007298700000000, 0.0005222900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009407700000000 ] - [ 0.0000000000000000, -0.0000001000000000, 0.0009328000000000 ] - [ 0.0000000900000000, 0.0000000500000000, 0.0009328000000000 ] - [ -0.0000000900000000, 0.0000000500000000, 0.0009328000000000 ] - [ -0.0000000600000000, -0.0000000400000000, -0.0004905300000000 ] - [ 0.0000000600000000, -0.0000000400000000, -0.0004905300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004910700000000 ] - [ 0.0000000000000000, 0.0000000700000000, -0.0004905300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004191600000000 ] - [ 0.0000000000000000, 0.0001918100000000, 0.0005596500000000 ] - [ -0.0001661100000000, -0.0000959100000000, 0.0005596500000000 ] - [ 0.0001661100000000, -0.0000959100000000, 0.0005596500000000 ] - [ -0.0000011000000000, -0.0000006400000000, -0.0001789200000000 ] - [ 0.0000011000000000, -0.0000006400000000, -0.0001789200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001510800000000 ] - [ 0.0000000000000000, 0.0000012700000000, -0.0001789200000000 ] - [ 0.0000013700000000, 0.0000007900000000, -0.0006234000000000 ] - [ -0.0000013700000000, 0.0000007900000000, -0.0006234000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006245900000000 ] - [ 0.0000000000000000, -0.0000015800000000, -0.0006234000000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000024000000000, -0.0000013900000000, 0.0002527100000000 ] - [ -0.0000024000000000, -0.0000013900000000, 0.0002527100000000 ] - [ 0.0000000000000000, 0.0000027800000000, 0.0002527100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003024800000000 ] - [ -0.0080372300000000, -0.0046403000000000, -0.0089026700000000 ] - [ 0.0080372300000000, -0.0046403000000000, -0.0089026700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027883200000000 ] - [ 0.0000000000000000, 0.0092806000000000, -0.0089026700000000 ] - [ -0.0000347300000000, 0.0000200500000000, -0.0000059600000000 ] - [ 0.0000347300000000, 0.0000200500000000, -0.0000059600000000 ] - [ 0.0000000000000000, -0.0000401100000000, -0.0000059600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003328300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000327700000000 ] - [ 0.0000000000000000, -0.0000125600000000, 0.0000400800000000 ] - [ 0.0000108800000000, 0.0000062800000000, 0.0000400800000000 ] - [ -0.0000108800000000, 0.0000062800000000, 0.0000400800000000 ] - [ -0.0000001800000000, 0.0000001000000000, -0.0002644300000000 ] - [ 0.0000001800000000, 0.0000001000000000, -0.0002644300000000 ] - [ 0.0000000000000000, -0.0000002100000000, -0.0002644300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002651000000000 ] - [ 0.0000025400000000, -0.0000014700000000, -0.0001241200000000 ] - [ -0.0000025400000000, -0.0000014700000000, -0.0001241200000000 ] - [ 0.0000000000000000, 0.0000029400000000, -0.0001241200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001273700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001875900000000 ] - [ 0.0000000000000000, 0.0000000600000000, -0.0001884000000000 ] - [ -0.0000000600000000, -0.0000000300000000, -0.0001884000000000 ] - [ 0.0000000600000000, -0.0000000300000000, -0.0001884000000000 ] - [ -0.0000001800000000, 0.0000001000000000, 0.0000595000000000 ] - [ 0.0000001800000000, 0.0000001000000000, 0.0000595000000000 ] - [ 0.0000000000000000, -0.0000002100000000, 0.0000595000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000588700000000 ] - [ -0.0035293500000000, 0.0020376700000000, -0.0040462500000000 ] - [ 0.0035293500000000, 0.0020376700000000, -0.0040462500000000 ] - [ 0.0000000000000000, -0.0040753400000000, -0.0040462500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007234800000000 ] - [ 0.0000319600000000, 0.0000184500000000, -0.0008688600000000 ] - [ -0.0000319600000000, 0.0000184500000000, -0.0008688600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008094200000000 ] - [ 0.0000000000000000, -0.0000369100000000, -0.0008688600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002686400000000 ] - [ 0.0000000000000000, -0.0000000800000000, 0.0002685000000000 ] - [ 0.0000000700000000, 0.0000000400000000, 0.0002685000000000 ] - [ -0.0000000700000000, 0.0000000400000000, 0.0002685000000000 ] - [ -0.0000002500000000, -0.0000001400000000, -0.0005144900000000 ] - [ 0.0000002500000000, -0.0000001400000000, -0.0005144900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005138400000000 ] - [ 0.0000000000000000, 0.0000002900000000, -0.0005144900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006665100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006661000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006661000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006661000000000 ] - [ 0.0000000100000000, 0.0000000000000000, 0.0004490600000000 ] - [ -0.0000000100000000, 0.0000000000000000, 0.0004490600000000 ] - [ 0.0000000000000000, 0.0000000100000000, 0.0004490600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004495500000000 ] - [ -0.0000037000000000, 0.0000021300000000, 0.0004640500000000 ] - [ 0.0000037000000000, 0.0000021300000000, 0.0004640500000000 ] - [ 0.0000000000000000, -0.0000042700000000, 0.0004640500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004700900000000 ] - [ 0.0000002900000000, 0.0000001700000000, -0.0004471500000000 ] - [ -0.0000002900000000, 0.0000001700000000, -0.0004471500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004464400000000 ] - [ 0.0000000000000000, -0.0000003400000000, -0.0004471500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007198100000000 ] - [ 0.0000000000000000, -0.0000357200000000, 0.0005787100000000 ] - [ 0.0000309300000000, 0.0000178600000000, 0.0005787100000000 ] - [ -0.0000309300000000, 0.0000178600000000, 0.0005787100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0375753700000000 ] - [ 0.0000000000000000, 0.0001781500000000, 0.0020836300000000 ] - [ -0.0001542800000000, -0.0000890800000000, 0.0020836300000000 ] - [ 0.0001542800000000, -0.0000890800000000, 0.0020836300000000 ] - [ 0.0006121900000000, 0.0003534500000000, -0.0007790500000000 ] - [ -0.0006121900000000, 0.0003534500000000, -0.0007790500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000610100000000 ] - [ 0.0000000000000000, -0.0007068900000000, -0.0007790500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007681000000000 ] - [ 0.0000000000000000, 0.0000000700000000, 0.0007761800000000 ] - [ -0.0000000600000000, -0.0000000300000000, 0.0007761800000000 ] - [ 0.0000000600000000, -0.0000000300000000, 0.0007761800000000 ] - [ 0.0000000800000000, 0.0000000500000000, -0.0006466600000000 ] - [ -0.0000000800000000, 0.0000000500000000, -0.0006466600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006461700000000 ] - [ 0.0000000000000000, -0.0000000900000000, -0.0006466600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004433700000000 ] - [ 0.0000000000000000, -0.0001867300000000, 0.0003066400000000 ] - [ 0.0001617100000000, 0.0000933700000000, 0.0003066400000000 ] - [ -0.0001617100000000, 0.0000933700000000, 0.0003066400000000 ] - [ 0.0000010400000000, 0.0000006000000000, -0.0003230900000000 ] - [ -0.0000010400000000, 0.0000006000000000, -0.0003230900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003503600000000 ] - [ 0.0000000000000000, -0.0000012000000000, -0.0003230900000000 ] - [ -0.0000013900000000, -0.0000008000000000, -0.0007798700000000 ] - [ 0.0000013900000000, -0.0000008000000000, -0.0007798700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007787100000000 ] - [ 0.0000000000000000, 0.0000016100000000, -0.0007798700000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000014600000000, -0.0000005400000000, 0.0001062400000000 ] - [ 0.0000007700000000, -0.0000001100000000, 0.0001064300000000 ] - [ 0.0000009500000000, -0.0000015800000000, 0.0001054700000000 ] - [ 0.0000012600000000, 0.0000017100000000, 0.0001067500000000 ] - [ -0.0000274400000000, 0.0000000100000000, 0.0001299300000000 ] - [ -0.0000825700000000, 0.0000007100000000, 0.0001297000000000 ] - [ 0.0000175100000000, 0.0000572800000000, 0.0001195300000000 ] - [ 0.0000189700000000, -0.0000591100000000, 0.0001412600000000 ] - [ 0.0002336700000000, -0.0000131400000000, -0.0000264600000000 ] - [ -0.0009374800000000, -0.0000061800000000, -0.0000233800000000 ] - [ 0.0059577300000000, -0.0033294800000000, 0.0062558600000000 ] - [ 0.0056981200000000, 0.0031314400000000, -0.0060174000000000 ] - [ -0.0000041700000000, 0.0000974600000000, -0.0001872400000000 ] - [ -0.0000040900000000, -0.0000973800000000, -0.0000485300000000 ] - [ 0.0002022600000000, 0.0000000400000000, -0.0001178300000000 ] - [ -0.0001728800000000, 0.0000000800000000, -0.0001179100000000 ] - [ -0.0000002000000000, 0.0000000000000000, -0.0004208200000000 ] - [ -0.0000005400000000, 0.0000000000000000, -0.0004208200000000 ] - [ 0.0000000000000000, -0.0000001000000000, -0.0004211100000000 ] - [ 0.0000000100000000, 0.0000001400000000, -0.0004205400000000 ] - [ 0.0000000500000000, -0.0000000200000000, -0.0002819100000000 ] - [ 0.0000001800000000, -0.0000000500000000, -0.0002819300000000 ] - [ -0.0000000400000000, 0.0000000400000000, -0.0002817600000000 ] - [ -0.0000000800000000, -0.0000000900000000, -0.0002820800000000 ] - [ -0.0000000900000000, -0.0000001400000000, -0.0003442100000000 ] - [ -0.0000000600000000, 0.0000001600000000, -0.0003444100000000 ] - [ 0.0000003900000000, 0.0000000200000000, -0.0003442900000000 ] - [ 0.0000001800000000, 0.0000000400000000, -0.0003443100000000 ] - [ 0.0000021000000000, -0.0000000200000000, -0.0000969100000000 ] - [ -0.0000020700000000, -0.0000000500000000, -0.0000969300000000 ] - [ -0.0000000400000000, 0.0000012300000000, -0.0000968400000000 ] - [ -0.0000000800000000, -0.0000012600000000, -0.0000970200000000 ] - [ -0.0000063500000000, 0.0000000200000000, -0.0002541300000000 ] - [ 0.0001260700000000, -0.0000000600000000, -0.0002546100000000 ] - [ -0.0000148300000000, 0.0000049500000000, -0.0002531800000000 ] - [ -0.0000151500000000, -0.0000050400000000, -0.0002541700000000 ] - [ 0.0000024400000000, 0.0000000600000000, -0.0007767900000000 ] - [ -0.0000008500000000, 0.0000000600000000, -0.0007767700000000 ] - [ -0.0000002900000000, 0.0000003900000000, -0.0007770100000000 ] - [ -0.0000002800000000, -0.0000002500000000, -0.0007765100000000 ] - [ 0.0000000900000000, 0.0000001700000000, 0.0003480700000000 ] - [ 0.0000000900000000, -0.0000005200000000, 0.0003446700000000 ] - [ 0.0000007700000000, -0.0000001800000000, 0.0003463700000000 ] - [ -0.0000005000000000, -0.0000001800000000, 0.0003463700000000 ] - [ 0.0000005500000000, -0.0000001400000000, -0.0004355700000000 ] - [ 0.0000002600000000, -0.0000001400000000, -0.0004355700000000 ] - [ 0.0000001900000000, -0.0000001800000000, -0.0004356600000000 ] - [ 0.0000002000000000, -0.0000001000000000, -0.0004354800000000 ] - [ 0.0000005500000000, -0.0000001500000000, 0.0007448300000000 ] - [ 0.0000005600000000, 0.0000001600000000, 0.0007446200000000 ] - [ -0.0000000200000000, 0.0000000000000000, 0.0007447300000000 ] - [ 0.0000008200000000, 0.0000000000000000, 0.0007447300000000 ] - [ 0.0000001100000000, -0.0000000300000000, 0.0005267200000000 ] - [ -0.0000006900000000, -0.0000000300000000, 0.0005267400000000 ] - [ 0.0000000100000000, 0.0000000200000000, 0.0005265600000000 ] - [ 0.0000000300000000, -0.0000000800000000, 0.0005269000000000 ] - [ -0.0000432900000000, 0.0000000400000000, 0.0005433300000000 ] - [ 0.0000271900000000, -0.0000000400000000, 0.0005433700000000 ] - [ 0.0000087000000000, -0.0000299000000000, 0.0004790400000000 ] - [ 0.0000086000000000, 0.0000300700000000, 0.0006078000000000 ] - [ 0.0000019700000000, 0.0000001800000000, -0.0003684200000000 ] - [ -0.0000009000000000, 0.0000001800000000, -0.0003684200000000 ] - [ -0.0000005300000000, 0.0000004000000000, -0.0003682000000000 ] - [ -0.0000005300000000, -0.0000000400000000, -0.0003686500000000 ] - [ 0.0000011000000000, 0.0000008800000000, 0.0007081500000000 ] - [ 0.0000011200000000, -0.0000011100000000, 0.0007034300000000 ] - [ -0.0000026500000000, -0.0000001100000000, 0.0007058200000000 ] - [ -0.0000006100000000, -0.0000001100000000, 0.0007058400000000 ] - [ 0.0004636600000000, 0.0002786800000000, -0.0002442600000000 ] - [ 0.0004584400000000, -0.0002717500000000, 0.0010000100000000 ] - [ -0.0000217400000000, 0.0000006100000000, 0.0003855100000000 ] - [ -0.0000156000000000, 0.0000004100000000, 0.0003852400000000 ] - [ -0.0273188700000000, 0.0001852300000000, -0.0004002100000000 ] - [ 0.0106230100000000, 0.0000055000000000, -0.0001421000000000 ] - [ 0.0019750800000000, -0.0050012800000000, -0.0002516000000000 ] - [ 0.0019652800000000, 0.0049893500000000, -0.0000251700000000 ] - [ 0.0000001100000000, -0.0000000300000000, 0.0008525100000000 ] - [ 0.0000001200000000, -0.0000001000000000, 0.0008531400000000 ] - [ 0.0000003200000000, -0.0000000700000000, 0.0008528200000000 ] - [ 0.0000000600000000, -0.0000000700000000, 0.0008528300000000 ] - [ -0.0000001000000000, 0.0000001500000000, -0.0005679900000000 ] - [ -0.0000006100000000, 0.0000001600000000, -0.0005680000000000 ] - [ 0.0000005600000000, 0.0000008400000000, -0.0005679700000000 ] - [ 0.0000005600000000, -0.0000005200000000, -0.0005680300000000 ] - [ 0.0018255600000000, 0.0022144400000000, 0.0039574300000000 ] - [ 0.0018302800000000, -0.0021925400000000, -0.0030683900000000 ] - [ -0.0007248400000000, 0.0000046000000000, 0.0004295600000000 ] - [ -0.0019885700000000, 0.0000055300000000, 0.0004252400000000 ] - [ 0.0000283200000000, -0.0000000300000000, -0.0002501400000000 ] - [ -0.0000045500000000, 0.0000001100000000, -0.0002505900000000 ] - [ -0.0000453200000000, -0.0000234700000000, -0.0004137800000000 ] - [ -0.0000451000000000, 0.0000234700000000, -0.0000866700000000 ] - [ 0.0000000400000000, 0.0000001200000000, -0.0007012200000000 ] - [ -0.0000003000000000, 0.0000001200000000, -0.0007012100000000 ] - [ -0.0000003000000000, 0.0000001100000000, -0.0007012600000000 ] - [ -0.0000003000000000, 0.0000001200000000, -0.0007011900000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000098100000000, -0.0000466800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000517700000000 ] - [ 0.0000084900000000, -0.0000049000000000, -0.0000466800000000 ] - [ -0.0000084900000000, -0.0000049000000000, -0.0000466800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000310200000000 ] - [ 0.0000000000000000, -0.0002882000000000, 0.0000867700000000 ] - [ 0.0002495900000000, 0.0001441000000000, 0.0000867700000000 ] - [ -0.0002495900000000, 0.0001441000000000, 0.0000867700000000 ] - [ 0.0000000000000000, 0.0092586400000000, 0.0090182900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029296000000000 ] - [ 0.0080182200000000, -0.0046293200000000, 0.0090182900000000 ] - [ -0.0080182200000000, -0.0046293200000000, 0.0090182900000000 ] - [ -0.0000024300000000, -0.0000014000000000, -0.0002651900000000 ] - [ 0.0000024300000000, -0.0000014000000000, -0.0002651900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003150300000000 ] - [ 0.0000000000000000, 0.0000028000000000, -0.0002651900000000 ] - [ 0.0000000000000000, -0.0000003200000000, -0.0005766700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005764400000000 ] - [ -0.0000002700000000, 0.0000001600000000, -0.0005766700000000 ] - [ 0.0000002700000000, 0.0000001600000000, -0.0005766700000000 ] - [ 0.0000000000000000, 0.0000003400000000, -0.0004374700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004369700000000 ] - [ 0.0000003000000000, -0.0000001700000000, -0.0004374700000000 ] - [ -0.0000003000000000, -0.0000001700000000, -0.0004374700000000 ] - [ 0.0000001100000000, 0.0000000600000000, -0.0005017200000000 ] - [ -0.0000001100000000, 0.0000000600000000, -0.0005017200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005010000000000 ] - [ 0.0000000000000000, -0.0000001200000000, -0.0005017200000000 ] - [ 0.0000000000000000, -0.0000034700000000, -0.0002536200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002507900000000 ] - [ -0.0000030100000000, 0.0000017400000000, -0.0002536200000000 ] - [ 0.0000030100000000, 0.0000017400000000, -0.0002536200000000 ] - [ 0.0000000000000000, 0.0000136000000000, -0.0002659800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001145500000000 ] - [ 0.0000117800000000, -0.0000068000000000, -0.0002659800000000 ] - [ -0.0000117800000000, -0.0000068000000000, -0.0002659800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006933300000000 ] - [ 0.0000000000000000, 0.0000011200000000, -0.0007038500000000 ] - [ -0.0000009700000000, -0.0000005600000000, -0.0007038500000000 ] - [ 0.0000009700000000, -0.0000005600000000, -0.0007038500000000 ] - [ 0.0000010400000000, 0.0000006000000000, 0.0004269600000000 ] - [ -0.0000010400000000, 0.0000006000000000, 0.0004269600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004247700000000 ] - [ 0.0000000000000000, -0.0000012000000000, 0.0004269600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003594100000000 ] - [ 0.0000000000000000, -0.0000000400000000, -0.0003592400000000 ] - [ 0.0000000300000000, 0.0000000200000000, -0.0003592400000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0003592400000000 ] - [ 0.0000002600000000, 0.0000001500000000, 0.0008261400000000 ] - [ -0.0000002600000000, 0.0000001500000000, 0.0008261400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008253000000000 ] - [ 0.0000000000000000, -0.0000003100000000, 0.0008261400000000 ] - [ 0.0000000000000000, -0.0000000800000000, 0.0006073300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006066400000000 ] - [ -0.0000000700000000, 0.0000000400000000, 0.0006073300000000 ] - [ 0.0000000700000000, 0.0000000400000000, 0.0006073300000000 ] - [ 0.0000000000000000, -0.0000365700000000, 0.0006375900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005784000000000 ] - [ -0.0000316700000000, 0.0000182800000000, 0.0006375900000000 ] - [ 0.0000316700000000, 0.0000182800000000, 0.0006375900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002864100000000 ] - [ 0.0000000000000000, -0.0000002600000000, -0.0002947100000000 ] - [ 0.0000002300000000, 0.0000001300000000, -0.0002947100000000 ] - [ -0.0000002300000000, 0.0000001300000000, -0.0002947100000000 ] - [ -0.0000004000000000, -0.0000002300000000, 0.0007894400000000 ] - [ 0.0000004000000000, -0.0000002300000000, 0.0007894400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007790000000000 ] - [ 0.0000000000000000, 0.0000004700000000, 0.0007894400000000 ] - [ -0.0004725700000000, -0.0002728400000000, 0.0010285400000000 ] - [ 0.0004725700000000, -0.0002728400000000, 0.0010285400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003095000000000 ] - [ 0.0000000000000000, 0.0005456800000000, 0.0010285400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0372756000000000 ] - [ 0.0000000000000000, 0.0001274100000000, -0.0018921600000000 ] - [ -0.0001103400000000, -0.0000637000000000, -0.0018921600000000 ] - [ 0.0001103400000000, -0.0000637000000000, -0.0018921600000000 ] - [ -0.0000002600000000, -0.0000001500000000, 0.0009332300000000 ] - [ 0.0000002600000000, -0.0000001500000000, 0.0009332300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009327400000000 ] - [ 0.0000000000000000, 0.0000003000000000, 0.0009332300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004924500000000 ] - [ 0.0000000000000000, -0.0000000100000000, -0.0004931900000000 ] - [ 0.0000000100000000, 0.0000000000000000, -0.0004931900000000 ] - [ -0.0000000100000000, 0.0000000000000000, -0.0004931900000000 ] - [ 0.0035396900000000, 0.0020436400000000, 0.0042198400000000 ] - [ -0.0035396900000000, 0.0020436400000000, 0.0042198400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005302400000000 ] - [ 0.0000000000000000, -0.0040872800000000, 0.0042198400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002663400000000 ] - [ 0.0000000000000000, -0.0000358100000000, -0.0001277300000000 ] - [ 0.0000310100000000, 0.0000179100000000, -0.0001277300000000 ] - [ -0.0000310100000000, 0.0000179100000000, -0.0001277300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006254000000000 ] - [ 0.0000000000000000, 0.0000001800000000, -0.0006253400000000 ] - [ -0.0000001500000000, -0.0000000900000000, -0.0006253400000000 ] - [ 0.0000001500000000, -0.0000000900000000, -0.0006253400000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000106000000000, 0.0002608100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002666500000000 ] - [ -0.0000091800000000, 0.0000053000000000, 0.0002608100000000 ] - [ 0.0000091800000000, 0.0000053000000000, 0.0002608100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002947900000000 ] - [ 0.0000000000000000, 0.0002959000000000, 0.0001756700000000 ] - [ -0.0002562600000000, -0.0001479500000000, 0.0001756700000000 ] - [ 0.0002562600000000, -0.0001479500000000, 0.0001756700000000 ] - [ 0.0000000000000000, -0.0089814400000000, -0.0089629900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029593300000000 ] - [ -0.0077781500000000, 0.0044907200000000, -0.0089629900000000 ] - [ 0.0077781500000000, 0.0044907200000000, -0.0089629900000000 ] - [ 0.0000026200000000, 0.0000015100000000, 0.0000289500000000 ] - [ -0.0000026200000000, 0.0000015100000000, 0.0000289500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000782300000000 ] - [ 0.0000000000000000, -0.0000030200000000, 0.0000289500000000 ] - [ 0.0000000000000000, 0.0000003300000000, -0.0002644300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002645600000000 ] - [ 0.0000002900000000, -0.0000001700000000, -0.0002644300000000 ] - [ -0.0000002900000000, -0.0000001700000000, -0.0002644300000000 ] - [ 0.0000000000000000, -0.0000002800000000, -0.0001248500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001253800000000 ] - [ -0.0000002400000000, 0.0000001400000000, -0.0001248500000000 ] - [ 0.0000002400000000, 0.0000001400000000, -0.0001248500000000 ] - [ -0.0000000800000000, -0.0000000500000000, -0.0001878900000000 ] - [ 0.0000000800000000, -0.0000000500000000, -0.0001878900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001885400000000 ] - [ 0.0000000000000000, 0.0000001000000000, -0.0001878900000000 ] - [ 0.0000000000000000, 0.0000034400000000, 0.0000601700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000573800000000 ] - [ 0.0000029800000000, -0.0000017200000000, 0.0000601700000000 ] - [ -0.0000029800000000, -0.0000017200000000, 0.0000601700000000 ] - [ 0.0000000000000000, -0.0000140000000000, -0.0002435700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006338200000000 ] - [ -0.0000121300000000, 0.0000070000000000, -0.0002435700000000 ] - [ 0.0000121300000000, 0.0000070000000000, -0.0002435700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008634900000000 ] - [ 0.0000000000000000, -0.0000011400000000, -0.0008529200000000 ] - [ 0.0000009900000000, 0.0000005700000000, -0.0008529200000000 ] - [ -0.0000009900000000, 0.0000005700000000, -0.0008529200000000 ] - [ -0.0000010400000000, -0.0000006000000000, 0.0002684200000000 ] - [ 0.0000010400000000, -0.0000006000000000, 0.0002684200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002705700000000 ] - [ 0.0000000000000000, 0.0000012000000000, 0.0002684200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005140100000000 ] - [ 0.0000000000000000, 0.0000000200000000, -0.0005143000000000 ] - [ -0.0000000200000000, -0.0000000100000000, -0.0005143000000000 ] - [ 0.0000000200000000, -0.0000000100000000, -0.0005143000000000 ] - [ -0.0000002300000000, -0.0000001300000000, 0.0006661700000000 ] - [ 0.0000002300000000, -0.0000001300000000, 0.0006661700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006668200000000 ] - [ 0.0000000000000000, 0.0000002700000000, 0.0006661700000000 ] - [ 0.0000000000000000, 0.0000001300000000, 0.0004490200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004497000000000 ] - [ 0.0000001100000000, -0.0000000600000000, 0.0004490200000000 ] - [ -0.0000001100000000, -0.0000000600000000, 0.0004490200000000 ] - [ 0.0000000000000000, 0.0000362300000000, 0.0004525800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005114900000000 ] - [ 0.0000313700000000, -0.0000181100000000, 0.0004525800000000 ] - [ -0.0000313700000000, -0.0000181100000000, 0.0004525800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004532800000000 ] - [ 0.0000000000000000, 0.0000002900000000, -0.0004452500000000 ] - [ -0.0000002500000000, -0.0000001400000000, -0.0004452500000000 ] - [ 0.0000002500000000, -0.0000001400000000, -0.0004452500000000 ] - [ 0.0000004000000000, 0.0000002300000000, 0.0006249700000000 ] - [ -0.0000004000000000, 0.0000002300000000, 0.0006249700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006354600000000 ] - [ 0.0000000000000000, -0.0000004600000000, 0.0006249700000000 ] - [ 0.0004878200000000, 0.0002816400000000, -0.0002770500000000 ] - [ -0.0004878200000000, 0.0002816400000000, -0.0002770500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004660200000000 ] - [ 0.0000000000000000, -0.0005632800000000, -0.0002770500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0365466400000000 ] - [ 0.0000000000000000, -0.0001342500000000, 0.0016236300000000 ] - [ 0.0001162600000000, 0.0000671200000000, 0.0016236300000000 ] - [ -0.0001162600000000, 0.0000671200000000, 0.0016236300000000 ] - [ 0.0000002700000000, 0.0000001600000000, 0.0007745200000000 ] - [ -0.0000002700000000, 0.0000001600000000, 0.0007745200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007750700000000 ] - [ 0.0000000000000000, -0.0000003200000000, 0.0007745200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006464700000000 ] - [ 0.0000000000000000, 0.0000000400000000, -0.0006460200000000 ] - [ -0.0000000300000000, -0.0000000200000000, -0.0006460200000000 ] - [ 0.0000000300000000, -0.0000000200000000, -0.0006460200000000 ] - [ -0.0034878700000000, -0.0020137200000000, -0.0032919900000000 ] - [ 0.0034878700000000, -0.0020137200000000, -0.0032919900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013928900000000 ] - [ 0.0000000000000000, 0.0040274400000000, -0.0032919900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002377900000000 ] - [ 0.0000000000000000, 0.0000358500000000, -0.0003756000000000 ] - [ -0.0000310400000000, -0.0000179200000000, -0.0003756000000000 ] - [ 0.0000310400000000, -0.0000179200000000, -0.0003756000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007796800000000 ] - [ 0.0000000000000000, -0.0000001400000000, -0.0007798200000000 ] - [ 0.0000001200000000, 0.0000000700000000, -0.0007798200000000 ] - [ -0.0000001200000000, 0.0000000700000000, -0.0007798200000000 ]- atom: 77 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000043100000000, -0.0000110700000000, 0.0001045800000000 ] - [ -0.0000052600000000, 0.0000109100000000, 0.0001082800000000 ] - [ -0.0000238200000000, 0.0000002200000000, 0.0001067400000000 ] - [ -0.0002364000000000, -0.0000001000000000, 0.0001057900000000 ] - [ 0.0000011500000000, 0.0000017300000000, 0.0001292300000000 ] - [ 0.0000007600000000, -0.0000014800000000, 0.0001314700000000 ] - [ 0.0000001800000000, 0.0000000100000000, 0.0001300300000000 ] - [ -0.0000015400000000, -0.0000004800000000, 0.0001302600000000 ] - [ 0.0000000300000000, 0.0000000300000000, -0.0000184900000000 ] - [ 0.0000000400000000, -0.0000001100000000, -0.0000188400000000 ] - [ 0.0000001600000000, -0.0000000500000000, -0.0000186600000000 ] - [ 0.0000002600000000, -0.0000000400000000, -0.0000186500000000 ] - [ 0.0000004300000000, 0.0000000700000000, -0.0001185200000000 ] - [ 0.0000000900000000, 0.0000000700000000, -0.0001185300000000 ] - [ 0.0000002700000000, 0.0000001600000000, -0.0001185800000000 ] - [ 0.0000002700000000, -0.0000000600000000, -0.0001184900000000 ] - [ -0.0000119100000000, 0.0000885300000000, -0.0003284900000000 ] - [ -0.0000121400000000, -0.0000882800000000, -0.0005144000000000 ] - [ 0.0001411000000000, 0.0000000900000000, -0.0004215200000000 ] - [ -0.0001103700000000, -0.0000000500000000, -0.0004214800000000 ] - [ 0.0057019500000000, -0.0031363600000000, 0.0057230400000000 ] - [ 0.0059617400000000, 0.0033344000000000, -0.0065629100000000 ] - [ 0.0002290600000000, 0.0000131200000000, -0.0002740900000000 ] - [ -0.0009416800000000, 0.0000061200000000, -0.0002772100000000 ] - [ 0.0000040000000000, -0.0000000100000000, -0.0003449500000000 ] - [ -0.0000035600000000, 0.0000000100000000, -0.0003449600000000 ] - [ -0.0000001200000000, 0.0000020200000000, -0.0003464800000000 ] - [ -0.0000001000000000, -0.0000019700000000, -0.0003434100000000 ] - [ 0.0000001500000000, 0.0000002200000000, -0.0000973700000000 ] - [ 0.0000001700000000, -0.0000002900000000, -0.0000977700000000 ] - [ 0.0000005900000000, -0.0000000300000000, -0.0000975800000000 ] - [ 0.0000004200000000, -0.0000000200000000, -0.0000975700000000 ] - [ 0.0000026100000000, -0.0000013700000000, -0.0002527700000000 ] - [ 0.0000026000000000, 0.0000013300000000, -0.0002542600000000 ] - [ 0.0000002700000000, 0.0000000000000000, -0.0002535300000000 ] - [ -0.0000017600000000, -0.0000000100000000, -0.0002535800000000 ] - [ 0.0006013100000000, 0.0003466200000000, -0.0013656100000000 ] - [ 0.0006070800000000, -0.0003519800000000, -0.0001741200000000 ] - [ -0.0000154500000000, -0.0000001100000000, -0.0007773500000000 ] - [ -0.0000007900000000, -0.0000002000000000, -0.0007770600000000 ] - [ 0.0000005300000000, -0.0000001800000000, 0.0003467400000000 ] - [ 0.0000002500000000, -0.0000001800000000, 0.0003467200000000 ] - [ 0.0000001700000000, -0.0000002300000000, 0.0003466200000000 ] - [ 0.0000001700000000, -0.0000001400000000, 0.0003468300000000 ] - [ 0.0000002900000000, 0.0000005900000000, -0.0004338500000000 ] - [ 0.0000002900000000, -0.0000008800000000, -0.0004366000000000 ] - [ 0.0000017000000000, -0.0000001400000000, -0.0004352200000000 ] - [ -0.0000009800000000, -0.0000001400000000, -0.0004352300000000 ] - [ 0.0000322000000000, -0.0000000800000000, 0.0007450500000000 ] - [ 0.0000281600000000, -0.0000002600000000, 0.0007455000000000 ] - [ -0.0000470700000000, -0.0000437200000000, 0.0005834100000000 ] - [ -0.0000472700000000, 0.0000432700000000, 0.0009069000000000 ] - [ -0.0000008200000000, 0.0000006600000000, 0.0005315000000000 ] - [ -0.0000008300000000, -0.0000007300000000, 0.0005226700000000 ] - [ 0.0000003800000000, -0.0000000300000000, 0.0005270800000000 ] - [ -0.0000011900000000, -0.0000000300000000, 0.0005270900000000 ] - [ -0.0000003800000000, -0.0000002600000000, 0.0005436800000000 ] - [ -0.0000003700000000, 0.0000003000000000, 0.0005437900000000 ] - [ -0.0000008700000000, 0.0000000200000000, 0.0005437300000000 ] - [ -0.0000004300000000, 0.0000000300000000, 0.0005437500000000 ] - [ 0.0000001300000000, 0.0000000200000000, -0.0003682100000000 ] - [ 0.0000001200000000, 0.0000003400000000, -0.0003679500000000 ] - [ -0.0000005800000000, 0.0000001700000000, -0.0003680900000000 ] - [ 0.0000004000000000, 0.0000001700000000, -0.0003680800000000 ] - [ 0.0000305200000000, 0.0000000200000000, 0.0007060800000000 ] - [ 0.0000265200000000, 0.0000003800000000, 0.0007060700000000 ] - [ -0.0000491000000000, -0.0000441300000000, 0.0007488600000000 ] - [ -0.0000486600000000, 0.0000429300000000, 0.0006641300000000 ] - [ 0.0000025700000000, 0.0000001000000000, 0.0003850900000000 ] - [ -0.0000011200000000, 0.0000001000000000, 0.0003850900000000 ] - [ -0.0000003300000000, 0.0000005700000000, 0.0003851200000000 ] - [ -0.0000003400000000, -0.0000003400000000, 0.0003850400000000 ] - [ -0.0000001500000000, 0.0000003600000000, -0.0001389600000000 ] - [ -0.0000001500000000, 0.0000002900000000, -0.0001383400000000 ] - [ 0.0000000500000000, 0.0000003300000000, -0.0001386400000000 ] - [ -0.0000002200000000, 0.0000003300000000, -0.0001386600000000 ] - [ -0.0273243800000000, -0.0001842300000000, 0.0011148500000000 ] - [ 0.0106219300000000, -0.0000057700000000, 0.0008569200000000 ] - [ 0.0019844400000000, -0.0049772300000000, 0.0007394800000000 ] - [ 0.0019945700000000, 0.0049898400000000, 0.0009658900000000 ] - [ 0.0000058800000000, -0.0000360700000000, -0.0005546600000000 ] - [ 0.0000058600000000, 0.0000363200000000, -0.0005805500000000 ] - [ -0.0000885100000000, 0.0000001900000000, -0.0005676600000000 ] - [ 0.0000685600000000, 0.0000001900000000, -0.0005677600000000 ] - [ 0.0000004800000000, -0.0000002800000000, 0.0004313600000000 ] - [ 0.0000001600000000, -0.0000002900000000, 0.0004313700000000 ] - [ 0.0000001500000000, -0.0000002900000000, 0.0004313500000000 ] - [ 0.0000001400000000, -0.0000002800000000, 0.0004314000000000 ] - [ 0.0000007100000000, -0.0000002500000000, -0.0002497000000000 ] - [ 0.0000007100000000, 0.0000000600000000, -0.0002499200000000 ] - [ 0.0000001400000000, -0.0000001000000000, -0.0002498000000000 ] - [ 0.0000009700000000, -0.0000001000000000, -0.0002498000000000 ] - [ 0.0018222600000000, 0.0021964400000000, 0.0027934200000000 ] - [ 0.0018177500000000, -0.0022187300000000, -0.0042223600000000 ] - [ -0.0007193300000000, -0.0000048200000000, -0.0006994300000000 ] - [ -0.0020035700000000, -0.0000056900000000, -0.0006952700000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000466500000000, -0.0000269300000000, 0.0000928100000000 ] - [ -0.0000466500000000, -0.0000269300000000, 0.0000928100000000 ] - [ 0.0000000000000000, 0.0000538600000000, 0.0000928100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002439200000000 ] - [ 0.0000052900000000, 0.0000030500000000, -0.0000234000000000 ] - [ -0.0000052900000000, 0.0000030500000000, -0.0000234000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000235700000000 ] - [ 0.0000000000000000, -0.0000061100000000, -0.0000234000000000 ] - [ 0.0000003500000000, -0.0000002000000000, -0.0001764900000000 ] - [ -0.0000003500000000, -0.0000002000000000, -0.0001764900000000 ] - [ 0.0000000000000000, 0.0000004100000000, -0.0001764900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001759700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002780600000000 ] - [ 0.0000000000000000, -0.0000000600000000, -0.0002771300000000 ] - [ 0.0000000500000000, 0.0000000300000000, -0.0002771300000000 ] - [ -0.0000000500000000, 0.0000000300000000, -0.0002771300000000 ] - [ 0.0000606800000000, -0.0000350300000000, -0.0005873800000000 ] - [ -0.0000606800000000, -0.0000350300000000, -0.0005873800000000 ] - [ 0.0000000000000000, 0.0000700700000000, -0.0005873800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005638500000000 ] - [ 0.0077996800000000, -0.0045031400000000, 0.0086684000000000 ] - [ -0.0077996800000000, -0.0045031400000000, 0.0086684000000000 ] - [ 0.0000000000000000, 0.0090062900000000, 0.0086684000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026472800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005057200000000 ] - [ 0.0000000000000000, -0.0000003100000000, -0.0005035500000000 ] - [ 0.0000002700000000, 0.0000001600000000, -0.0005035500000000 ] - [ -0.0000002700000000, 0.0000001600000000, -0.0005035500000000 ] - [ 0.0000001300000000, -0.0000000700000000, -0.0002554800000000 ] - [ -0.0000001300000000, -0.0000000700000000, -0.0002554800000000 ] - [ 0.0000000000000000, 0.0000001500000000, -0.0002554800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002548700000000 ] - [ 0.0000026700000000, -0.0000015400000000, -0.0001765200000000 ] - [ -0.0000026700000000, -0.0000015400000000, -0.0001765200000000 ] - [ 0.0000000000000000, 0.0000030800000000, -0.0001765200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001869700000000 ] - [ -0.0006053300000000, -0.0003494900000000, -0.0001026100000000 ] - [ 0.0006053300000000, -0.0003494900000000, -0.0001026100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008607100000000 ] - [ 0.0000000000000000, 0.0006989800000000, -0.0001026100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004278900000000 ] - [ 0.0000000000000000, -0.0000000500000000, 0.0004283400000000 ] - [ 0.0000000400000000, 0.0000000300000000, 0.0004283400000000 ] - [ -0.0000000400000000, 0.0000000300000000, 0.0004283400000000 ] - [ 0.0000010800000000, 0.0000006200000000, -0.0003579700000000 ] - [ -0.0000010800000000, 0.0000006200000000, -0.0003579700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003592200000000 ] - [ 0.0000000000000000, -0.0000012400000000, -0.0003579700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007395000000000 ] - [ 0.0000000000000000, -0.0000495900000000, 0.0008698600000000 ] - [ 0.0000429400000000, 0.0000247900000000, 0.0008698600000000 ] - [ -0.0000429400000000, 0.0000247900000000, 0.0008698600000000 ] - [ -0.0000004600000000, 0.0000002700000000, 0.0006089900000000 ] - [ 0.0000004600000000, 0.0000002700000000, 0.0006089900000000 ] - [ 0.0000000000000000, -0.0000005400000000, 0.0006089900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006077900000000 ] - [ 0.0000000100000000, -0.0000000100000000, 0.0006260400000000 ] - [ -0.0000000100000000, -0.0000000100000000, 0.0006260400000000 ] - [ 0.0000000000000000, 0.0000000100000000, 0.0006260400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006253500000000 ] - [ -0.0000000900000000, -0.0000000500000000, -0.0002916100000000 ] - [ 0.0000000900000000, -0.0000000500000000, -0.0002916100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002922500000000 ] - [ 0.0000000000000000, 0.0000001100000000, -0.0002916100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006992600000000 ] - [ 0.0000000000000000, 0.0001927700000000, 0.0008337900000000 ] - [ -0.0001669500000000, -0.0000963900000000, 0.0008337900000000 ] - [ 0.0001669500000000, -0.0000963900000000, 0.0008337900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004733200000000 ] - [ 0.0000000000000000, 0.0000003500000000, 0.0004655900000000 ] - [ -0.0000003000000000, -0.0000001700000000, 0.0004655900000000 ] - [ 0.0000003000000000, -0.0000001700000000, 0.0004655900000000 ] - [ -0.0000002900000000, -0.0000001700000000, -0.0000618800000000 ] - [ 0.0000002900000000, -0.0000001700000000, -0.0000618800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000624400000000 ] - [ 0.0000000000000000, 0.0000003400000000, -0.0000618800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0358714800000000 ] - [ 0.0000000000000000, 0.0001342000000000, -0.0008907500000000 ] - [ -0.0001162200000000, -0.0000671000000000, -0.0008907500000000 ] - [ 0.0001162200000000, -0.0000671000000000, -0.0008907500000000 ] - [ 0.0000135300000000, 0.0000078100000000, -0.0005102600000000 ] - [ -0.0000135300000000, 0.0000078100000000, -0.0005102600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004369600000000 ] - [ 0.0000000000000000, -0.0000156300000000, -0.0005102600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005117500000000 ] - [ 0.0000000000000000, 0.0000001300000000, 0.0005119100000000 ] - [ -0.0000001200000000, -0.0000000700000000, 0.0005119100000000 ] - [ 0.0000001200000000, -0.0000000700000000, 0.0005119100000000 ] - [ 0.0000002100000000, 0.0000001200000000, -0.0001733300000000 ] - [ -0.0000002100000000, 0.0000001200000000, -0.0001733300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001740600000000 ] - [ 0.0000000000000000, -0.0000002400000000, -0.0001733300000000 ] - [ 0.0034814300000000, 0.0020100000000000, 0.0030223900000000 ] - [ -0.0034814300000000, 0.0020100000000000, 0.0030223900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016613100000000 ] - [ 0.0000000000000000, -0.0040200100000000, 0.0030223900000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000453200000000, 0.0000261700000000, 0.0001234000000000 ] - [ 0.0000453200000000, 0.0000261700000000, 0.0001234000000000 ] - [ 0.0000000000000000, -0.0000523300000000, 0.0001234000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004517000000000 ] - [ -0.0000048800000000, -0.0000028200000000, 0.0002895500000000 ] - [ 0.0000048800000000, -0.0000028200000000, 0.0002895500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002890500000000 ] - [ 0.0000000000000000, 0.0000056300000000, 0.0002895500000000 ] - [ -0.0000001700000000, 0.0000001000000000, 0.0001389700000000 ] - [ 0.0000001700000000, 0.0000001000000000, 0.0001389700000000 ] - [ 0.0000000000000000, -0.0000001900000000, 0.0001389700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001384000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000366800000000 ] - [ 0.0000000000000000, -0.0000001000000000, 0.0000358200000000 ] - [ 0.0000000800000000, 0.0000000500000000, 0.0000358200000000 ] - [ -0.0000000800000000, 0.0000000500000000, 0.0000358200000000 ] - [ -0.0000612200000000, 0.0000353500000000, -0.0002571200000000 ] - [ 0.0000612200000000, 0.0000353500000000, -0.0002571200000000 ] - [ 0.0000000000000000, -0.0000707000000000, -0.0002571200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002807600000000 ] - [ -0.0080400700000000, 0.0046419400000000, -0.0093244800000000 ] - [ 0.0080400700000000, 0.0046419400000000, -0.0093244800000000 ] - [ 0.0000000000000000, -0.0092838800000000, -0.0093244800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032183400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001887300000000 ] - [ 0.0000000000000000, 0.0000003900000000, -0.0001908600000000 ] - [ -0.0000003400000000, -0.0000002000000000, -0.0001908600000000 ] - [ 0.0000003400000000, -0.0000002000000000, -0.0001908600000000 ] - [ -0.0000001800000000, 0.0000001100000000, 0.0000585200000000 ] - [ 0.0000001800000000, 0.0000001100000000, 0.0000585200000000 ] - [ 0.0000000000000000, -0.0000002100000000, 0.0000585200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000577000000000 ] - [ -0.0000026800000000, 0.0000015500000000, -0.0003385700000000 ] - [ 0.0000026800000000, 0.0000015500000000, -0.0003385700000000 ] - [ 0.0000000000000000, -0.0000030900000000, -0.0003385700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003283500000000 ] - [ 0.0005858700000000, 0.0003382500000000, -0.0014359000000000 ] - [ -0.0005858700000000, 0.0003382500000000, -0.0014359000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007026600000000 ] - [ 0.0000000000000000, -0.0006765000000000, -0.0014359000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002733300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002730700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002730700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002730700000000 ] - [ -0.0000010400000000, -0.0000006000000000, -0.0005174900000000 ] - [ 0.0000010400000000, -0.0000006000000000, -0.0005174900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005163800000000 ] - [ 0.0000000000000000, 0.0000012000000000, -0.0005174900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007595300000000 ] - [ 0.0000000000000000, 0.0000496400000000, 0.0006286100000000 ] - [ -0.0000429900000000, -0.0000248200000000, 0.0006286100000000 ] - [ 0.0000429900000000, -0.0000248200000000, 0.0006286100000000 ] - [ 0.0000004400000000, -0.0000002500000000, 0.0004533900000000 ] - [ -0.0000004400000000, -0.0000002500000000, 0.0004533900000000 ] - [ 0.0000000000000000, 0.0000005100000000, 0.0004533900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004542700000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0004711500000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0004711500000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0004711500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004714200000000 ] - [ 0.0000000400000000, 0.0000000200000000, -0.0004512600000000 ] - [ -0.0000000400000000, 0.0000000200000000, -0.0004512600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004507500000000 ] - [ 0.0000000000000000, -0.0000000400000000, -0.0004512600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007190700000000 ] - [ 0.0000000000000000, -0.0001877000000000, 0.0005881300000000 ] - [ 0.0001625600000000, 0.0000938500000000, 0.0005881300000000 ] - [ -0.0001625600000000, 0.0000938500000000, 0.0005881300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003043500000000 ] - [ 0.0000000000000000, -0.0000002500000000, 0.0003120800000000 ] - [ 0.0000002200000000, 0.0000001300000000, 0.0003120800000000 ] - [ -0.0000002200000000, 0.0000001300000000, 0.0003120800000000 ] - [ 0.0000003100000000, 0.0000001800000000, -0.0002190600000000 ] - [ -0.0000003100000000, 0.0000001800000000, -0.0002190600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002187300000000 ] - [ 0.0000000000000000, -0.0000003500000000, -0.0002190600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0379892100000000 ] - [ 0.0000000000000000, -0.0001273800000000, 0.0025937600000000 ] - [ 0.0001103100000000, 0.0000636900000000, 0.0025937600000000 ] - [ -0.0001103100000000, 0.0000636900000000, 0.0025937600000000 ] - [ -0.0000135900000000, -0.0000078500000000, -0.0006316600000000 ] - [ 0.0000135900000000, -0.0000078500000000, -0.0006316600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007055300000000 ] - [ 0.0000000000000000, 0.0000156900000000, -0.0006316600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003560900000000 ] - [ 0.0000000000000000, -0.0000000800000000, 0.0003558800000000 ] - [ 0.0000000700000000, 0.0000000400000000, 0.0003558800000000 ] - [ -0.0000000700000000, 0.0000000400000000, 0.0003558800000000 ] - [ -0.0000002600000000, -0.0000001500000000, -0.0003332500000000 ] - [ 0.0000002600000000, -0.0000001500000000, -0.0003332500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003327100000000 ] - [ 0.0000000000000000, 0.0000003000000000, -0.0003332500000000 ] - [ -0.0035331100000000, -0.0020398400000000, -0.0044934400000000 ] - [ 0.0035331100000000, -0.0020398400000000, -0.0044934400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002543500000000 ] - [ 0.0000000000000000, 0.0040796800000000, -0.0044934400000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000032300000000, -0.0000000700000000, 0.0001062700000000 ] - [ 0.0000033100000000, -0.0000000800000000, 0.0001062700000000 ] - [ -0.0000001000000000, -0.0000018700000000, 0.0001053300000000 ] - [ -0.0000001000000000, 0.0000017500000000, 0.0001071900000000 ] - [ 0.0000001000000000, 0.0000000100000000, 0.0001305600000000 ] - [ -0.0000004700000000, 0.0000000300000000, 0.0001305400000000 ] - [ -0.0000008200000000, -0.0000002000000000, 0.0001305700000000 ] - [ -0.0000008000000000, 0.0000002000000000, 0.0001305100000000 ] - [ -0.0000002400000000, -0.0000000400000000, -0.0000181700000000 ] - [ -0.0000005100000000, -0.0000000400000000, -0.0000181600000000 ] - [ -0.0000000200000000, -0.0000001600000000, -0.0000184800000000 ] - [ -0.0000000200000000, 0.0000000900000000, -0.0000178600000000 ] - [ -0.0000001800000000, -0.0000000100000000, -0.0001178800000000 ] - [ -0.0000001800000000, 0.0000001600000000, -0.0001181800000000 ] - [ 0.0000000600000000, 0.0000000600000000, -0.0001180400000000 ] - [ -0.0000000400000000, 0.0000000500000000, -0.0001180300000000 ] - [ 0.0002136200000000, -0.0000150600000000, -0.0004302900000000 ] - [ -0.0009394700000000, -0.0000064500000000, -0.0004263400000000 ] - [ 0.0058771000000000, -0.0032938200000000, 0.0057742100000000 ] - [ 0.0056148000000000, 0.0030955900000000, -0.0063419200000000 ] - [ 0.0001429000000000, -0.0000001200000000, -0.0002819900000000 ] - [ -0.0001113800000000, -0.0000000100000000, -0.0002820800000000 ] - [ -0.0000119400000000, 0.0000892200000000, -0.0001885000000000 ] - [ -0.0000117900000000, -0.0000894900000000, -0.0003757400000000 ] - [ 0.0000048900000000, 0.0000300400000000, -0.0003581500000000 ] - [ 0.0000032800000000, -0.0000311300000000, -0.0003317000000000 ] - [ -0.0001479800000000, 0.0000028300000000, -0.0003448000000000 ] - [ -0.0000488900000000, 0.0000001100000000, -0.0003440700000000 ] - [ -0.0000002200000000, -0.0000004700000000, -0.0000972400000000 ] - [ -0.0000006100000000, -0.0000000800000000, -0.0000970900000000 ] - [ 0.0000011000000000, -0.0000008900000000, -0.0000978900000000 ] - [ 0.0000013300000000, 0.0000010800000000, -0.0000968700000000 ] - [ 0.0000002800000000, -0.0000000100000000, -0.0002538500000000 ] - [ 0.0000000800000000, -0.0000000100000000, -0.0002538400000000 ] - [ 0.0000003600000000, -0.0000000400000000, -0.0002539300000000 ] - [ 0.0000003600000000, 0.0000000400000000, -0.0002537800000000 ] - [ 0.0000002400000000, 0.0000000600000000, -0.0007767400000000 ] - [ 0.0000006600000000, 0.0000000600000000, -0.0007767500000000 ] - [ -0.0000006900000000, -0.0000007000000000, -0.0007726000000000 ] - [ -0.0000006900000000, 0.0000008500000000, -0.0007808800000000 ] - [ 0.0000011000000000, 0.0000008100000000, 0.0003459100000000 ] - [ 0.0000011300000000, -0.0000011900000000, 0.0003468800000000 ] - [ -0.0000027000000000, -0.0000001700000000, 0.0003464000000000 ] - [ -0.0000006200000000, -0.0000001900000000, 0.0003464600000000 ] - [ 0.0000278800000000, 0.0000001500000000, -0.0004353000000000 ] - [ -0.0000057800000000, 0.0000005300000000, -0.0004360900000000 ] - [ -0.0000457200000000, -0.0000240200000000, -0.0004666100000000 ] - [ -0.0000467700000000, 0.0000227100000000, -0.0004044600000000 ] - [ 0.0018034700000000, 0.0022317700000000, 0.0042345000000000 ] - [ 0.0018064900000000, -0.0022094100000000, -0.0027172500000000 ] - [ -0.0007387200000000, 0.0000047200000000, 0.0007432900000000 ] - [ -0.0020411200000000, 0.0000066800000000, 0.0007382900000000 ] - [ -0.0000154100000000, -0.0000037900000000, 0.0005306100000000 ] - [ -0.0000221600000000, -0.0000001200000000, 0.0005271200000000 ] - [ 0.0004712100000000, -0.0002822900000000, 0.0000354700000000 ] - [ 0.0004650600000000, 0.0002760900000000, 0.0010059700000000 ] - [ -0.0000003900000000, 0.0000000300000000, 0.0005434300000000 ] - [ -0.0000001200000000, 0.0000000300000000, 0.0005434100000000 ] - [ -0.0000003100000000, -0.0000000100000000, 0.0005431700000000 ] - [ -0.0000003200000000, 0.0000000700000000, 0.0005436700000000 ] - [ 0.0000021100000000, 0.0000001600000000, -0.0003684100000000 ] - [ -0.0000007000000000, 0.0000001800000000, -0.0003684200000000 ] - [ -0.0000002900000000, 0.0000004300000000, -0.0003682200000000 ] - [ -0.0000002700000000, -0.0000000600000000, -0.0003685800000000 ] - [ 0.0000002500000000, 0.0000003000000000, 0.0007047500000000 ] - [ 0.0000002300000000, -0.0000005300000000, 0.0007069300000000 ] - [ 0.0000010300000000, -0.0000001100000000, 0.0007058400000000 ] - [ -0.0000004800000000, -0.0000001100000000, 0.0007058500000000 ] - [ -0.0000000200000000, -0.0000000600000000, 0.0003846100000000 ] - [ -0.0000000100000000, 0.0000002800000000, 0.0003849100000000 ] - [ -0.0000006900000000, 0.0000001200000000, 0.0003847700000000 ] - [ 0.0000002800000000, 0.0000001100000000, 0.0003847600000000 ] - [ 0.0000000400000000, 0.0000003300000000, -0.0001389700000000 ] - [ -0.0000004800000000, 0.0000003200000000, -0.0001389500000000 ] - [ 0.0000007100000000, 0.0000010100000000, -0.0001389700000000 ] - [ 0.0000007000000000, -0.0000003500000000, -0.0001389400000000 ] - [ 0.0000062500000000, -0.0000362100000000, 0.0008662800000000 ] - [ 0.0000062900000000, 0.0000361600000000, 0.0008393800000000 ] - [ -0.0000881400000000, -0.0000001300000000, 0.0008528700000000 ] - [ 0.0000689500000000, -0.0000001000000000, 0.0008529700000000 ] - [ -0.0269314800000000, 0.0002009700000000, -0.0008321000000000 ] - [ 0.0107525600000000, 0.0000052200000000, -0.0005711500000000 ] - [ 0.0019958800000000, -0.0050638400000000, -0.0007278000000000 ] - [ 0.0019861300000000, 0.0050523400000000, -0.0004063100000000 ] - [ 0.0000004200000000, -0.0000004600000000, 0.0004311300000000 ] - [ 0.0000004400000000, -0.0000001100000000, 0.0004309500000000 ] - [ -0.0000001000000000, -0.0000002900000000, 0.0004310500000000 ] - [ 0.0000007400000000, -0.0000002800000000, 0.0004310300000000 ] - [ 0.0000006300000000, -0.0000000900000000, -0.0002501200000000 ] - [ 0.0000002800000000, -0.0000001000000000, -0.0002501400000000 ] - [ 0.0000003000000000, -0.0000000800000000, -0.0002501500000000 ] - [ 0.0000002800000000, -0.0000001000000000, -0.0002501100000000 ] - [ 0.0000301300000000, 0.0000002000000000, -0.0007011800000000 ] - [ 0.0000263300000000, 0.0000003700000000, -0.0007015200000000 ] - [ -0.0000494200000000, -0.0000433400000000, -0.0008660800000000 ] - [ -0.0000491800000000, 0.0000440100000000, -0.0005364400000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000017300000000, -0.0000488500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000512200000000 ] - [ 0.0000015000000000, -0.0000008700000000, -0.0000488500000000 ] - [ -0.0000015000000000, -0.0000008700000000, -0.0000488500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000230100000000 ] - [ 0.0000000000000000, 0.0000000700000000, -0.0000231700000000 ] - [ -0.0000000600000000, -0.0000000300000000, -0.0000231700000000 ] - [ 0.0000000600000000, -0.0000000300000000, -0.0000231700000000 ] - [ 0.0000000000000000, -0.0000004400000000, -0.0001754900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001752900000000 ] - [ -0.0000003800000000, 0.0000002200000000, -0.0001754900000000 ] - [ 0.0000003800000000, 0.0000002200000000, -0.0001754900000000 ] - [ 0.0000002500000000, 0.0000001500000000, -0.0002767000000000 ] - [ -0.0000002500000000, 0.0000001500000000, -0.0002767000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002761800000000 ] - [ 0.0000000000000000, -0.0000002900000000, -0.0002767000000000 ] - [ 0.0000000000000000, 0.0092792200000000, 0.0086063400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024956500000000 ] - [ 0.0080360400000000, -0.0046396100000000, 0.0086063400000000 ] - [ -0.0080360400000000, -0.0046396100000000, 0.0086063400000000 ] - [ 0.0000000000000000, 0.0000706400000000, -0.0004472100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004229400000000 ] - [ 0.0000611700000000, -0.0000353200000000, -0.0004472100000000 ] - [ -0.0000611700000000, -0.0000353200000000, -0.0004472100000000 ] - [ 0.0000349400000000, 0.0000201800000000, -0.0003576300000000 ] - [ -0.0000349400000000, 0.0000201800000000, -0.0003576300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006967800000000 ] - [ 0.0000000000000000, -0.0000403500000000, -0.0003576300000000 ] - [ 0.0000000000000000, 0.0000056100000000, -0.0002541700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002536900000000 ] - [ 0.0000048600000000, -0.0000028100000000, -0.0002541700000000 ] - [ -0.0000048600000000, -0.0000028100000000, -0.0002541700000000 ] - [ 0.0000000000000000, 0.0000000900000000, -0.0001804800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001813700000000 ] - [ 0.0000000700000000, -0.0000000400000000, -0.0001804800000000 ] - [ -0.0000000700000000, -0.0000000400000000, -0.0001804800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007032900000000 ] - [ 0.0000000000000000, 0.0000003500000000, -0.0007010700000000 ] - [ -0.0000003100000000, -0.0000001800000000, -0.0007010700000000 ] - [ 0.0000003100000000, -0.0000001800000000, -0.0007010700000000 ] - [ 0.0000024800000000, 0.0000014300000000, 0.0004301900000000 ] - [ -0.0000024800000000, 0.0000014300000000, 0.0004301900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004197900000000 ] - [ 0.0000000000000000, -0.0000028700000000, 0.0004301900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004502400000000 ] - [ 0.0000000000000000, -0.0001918300000000, -0.0003116500000000 ] - [ 0.0001661300000000, 0.0000959200000000, -0.0003116500000000 ] - [ -0.0001661300000000, 0.0000959200000000, -0.0003116500000000 ] - [ 0.0035286700000000, 0.0020372800000000, 0.0045418600000000 ] - [ -0.0035286700000000, 0.0020372800000000, 0.0045418600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002266200000000 ] - [ 0.0000000000000000, -0.0040745600000000, 0.0045418600000000 ] - [ 0.0000000000000000, -0.0007130300000000, 0.0011738700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004522200000000 ] - [ -0.0006175000000000, 0.0003565100000000, 0.0011738700000000 ] - [ 0.0006175000000000, 0.0003565100000000, 0.0011738700000000 ] - [ 0.0000000000000000, -0.0000003700000000, 0.0006255100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006250700000000 ] - [ -0.0000003200000000, 0.0000001900000000, 0.0006255100000000 ] - [ 0.0000003200000000, 0.0000001900000000, 0.0006255100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002867700000000 ] - [ 0.0000000000000000, -0.0000002500000000, -0.0002948300000000 ] - [ 0.0000002200000000, 0.0000001300000000, -0.0002948300000000 ] - [ -0.0000002200000000, 0.0000001300000000, -0.0002948300000000 ] - [ -0.0000011700000000, -0.0000006800000000, 0.0007882600000000 ] - [ 0.0000011700000000, -0.0000006800000000, 0.0007882600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007879400000000 ] - [ 0.0000000000000000, 0.0000013500000000, 0.0007882600000000 ] - [ -0.0000000500000000, -0.0000000300000000, 0.0004670000000000 ] - [ 0.0000000500000000, -0.0000000300000000, 0.0004670000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004663800000000 ] - [ 0.0000000000000000, 0.0000000600000000, 0.0004670000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000627500000000 ] - [ 0.0000000000000000, 0.0000000400000000, -0.0000631700000000 ] - [ -0.0000000400000000, -0.0000000200000000, -0.0000631700000000 ] - [ 0.0000000400000000, -0.0000000200000000, -0.0000631700000000 ] - [ 0.0000130900000000, 0.0000075600000000, 0.0009155100000000 ] - [ -0.0000130900000000, 0.0000075600000000, 0.0009155100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009894800000000 ] - [ 0.0000000000000000, -0.0000151200000000, 0.0009155100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0377320400000000 ] - [ 0.0000000000000000, 0.0001818100000000, -0.0022743800000000 ] - [ -0.0001574500000000, -0.0000909100000000, -0.0022743800000000 ] - [ 0.0001574500000000, -0.0000909100000000, -0.0022743800000000 ] - [ 0.0000002600000000, 0.0000001500000000, 0.0005110500000000 ] - [ -0.0000002600000000, 0.0000001500000000, 0.0005110500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005104200000000 ] - [ 0.0000000000000000, -0.0000003000000000, 0.0005110500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001747600000000 ] - [ 0.0000000000000000, -0.0000000800000000, -0.0001746800000000 ] - [ 0.0000000700000000, 0.0000000400000000, -0.0001746800000000 ] - [ -0.0000000700000000, 0.0000000400000000, -0.0001746800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007141900000000 ] - [ 0.0000000000000000, -0.0000490700000000, -0.0005813600000000 ] - [ 0.0000425000000000, 0.0000245400000000, -0.0005813600000000 ] - [ -0.0000425000000000, 0.0000245400000000, -0.0005813600000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000019300000000, 0.0002640600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002663900000000 ] - [ -0.0000016700000000, 0.0000009600000000, 0.0002640600000000 ] - [ 0.0000016700000000, 0.0000009600000000, 0.0002640600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002911100000000 ] - [ 0.0000000000000000, 0.0000001800000000, 0.0002913200000000 ] - [ -0.0000001600000000, -0.0000000900000000, 0.0002913200000000 ] - [ 0.0000001600000000, -0.0000000900000000, 0.0002913200000000 ] - [ 0.0000000000000000, 0.0000002500000000, 0.0001406100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001403900000000 ] - [ 0.0000002200000000, -0.0000001200000000, 0.0001406100000000 ] - [ -0.0000002200000000, -0.0000001200000000, 0.0001406100000000 ] - [ -0.0000002100000000, -0.0000001200000000, 0.0000380500000000 ] - [ 0.0000002100000000, -0.0000001200000000, 0.0000380500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000375500000000 ] - [ 0.0000000000000000, 0.0000002400000000, 0.0000380500000000 ] - [ 0.0000000000000000, -0.0090014600000000, -0.0093565200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0033308500000000 ] - [ -0.0077954900000000, 0.0045007300000000, -0.0093565200000000 ] - [ 0.0077954900000000, 0.0045007300000000, -0.0093565200000000 ] - [ 0.0000000000000000, -0.0000700100000000, -0.0001147400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001390800000000 ] - [ -0.0000606300000000, 0.0000350000000000, -0.0001147400000000 ] - [ 0.0000606300000000, 0.0000350000000000, -0.0001147400000000 ] - [ -0.0000366000000000, -0.0000211300000000, -0.0003379000000000 ] - [ 0.0000366000000000, -0.0000211300000000, -0.0003379000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000103500000000 ] - [ 0.0000000000000000, 0.0000422600000000, -0.0003379000000000 ] - [ 0.0000000000000000, -0.0000061900000000, 0.0000592300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000594300000000 ] - [ -0.0000053600000000, 0.0000030900000000, 0.0000592300000000 ] - [ 0.0000053600000000, 0.0000030900000000, 0.0000592300000000 ] - [ 0.0000000000000000, 0.0000000200000000, -0.0003360500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003349600000000 ] - [ 0.0000000100000000, -0.0000000100000000, -0.0003360500000000 ] - [ -0.0000000100000000, -0.0000000100000000, -0.0003360500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008576700000000 ] - [ 0.0000000000000000, -0.0000003800000000, -0.0008599900000000 ] - [ 0.0000003300000000, 0.0000001900000000, -0.0008599900000000 ] - [ -0.0000003300000000, 0.0000001900000000, -0.0008599900000000 ] - [ -0.0000025300000000, -0.0000014600000000, 0.0002690800000000 ] - [ 0.0000025300000000, -0.0000014600000000, 0.0002690800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002797400000000 ] - [ 0.0000000000000000, 0.0000029200000000, 0.0002690800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004241200000000 ] - [ 0.0000000000000000, 0.0001969700000000, -0.0005667900000000 ] - [ -0.0001705800000000, -0.0000984800000000, -0.0005667900000000 ] - [ 0.0001705800000000, -0.0000984800000000, -0.0005667900000000 ] - [ -0.0034769200000000, -0.0020074000000000, -0.0029819200000000 ] - [ 0.0034769200000000, -0.0020074000000000, -0.0029819200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017227600000000 ] - [ 0.0000000000000000, 0.0040148000000000, -0.0029819200000000 ] - [ 0.0000000000000000, 0.0007362500000000, -0.0001353600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006126000000000 ] - [ 0.0006376100000000, -0.0003681200000000, -0.0001353600000000 ] - [ -0.0006376100000000, -0.0003681200000000, -0.0001353600000000 ] - [ 0.0000000000000000, 0.0000002800000000, 0.0004694000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004700300000000 ] - [ 0.0000002400000000, -0.0000001400000000, 0.0004694000000000 ] - [ -0.0000002400000000, -0.0000001400000000, 0.0004694000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004574700000000 ] - [ 0.0000000000000000, 0.0000003400000000, -0.0004496000000000 ] - [ -0.0000002900000000, -0.0000001700000000, -0.0004496000000000 ] - [ 0.0000002900000000, -0.0000001700000000, -0.0004496000000000 ] - [ 0.0000011400000000, 0.0000006600000000, 0.0006304600000000 ] - [ -0.0000011400000000, 0.0000006600000000, 0.0006304600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006305000000000 ] - [ 0.0000000000000000, -0.0000013100000000, 0.0006304600000000 ] - [ 0.0000000700000000, 0.0000000400000000, 0.0003086000000000 ] - [ -0.0000000700000000, 0.0000000400000000, 0.0003086000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003091600000000 ] - [ 0.0000000000000000, -0.0000000800000000, 0.0003086000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002195100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002192400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002192400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002192400000000 ] - [ -0.0000130300000000, -0.0000075200000000, 0.0007952300000000 ] - [ 0.0000130300000000, -0.0000075200000000, 0.0007952300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007220100000000 ] - [ 0.0000000000000000, 0.0000150400000000, 0.0007952300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0361602200000000 ] - [ 0.0000000000000000, -0.0001895400000000, 0.0011399300000000 ] - [ 0.0001641500000000, 0.0000947700000000, 0.0011399300000000 ] - [ -0.0001641500000000, 0.0000947700000000, 0.0011399300000000 ] - [ -0.0000001800000000, -0.0000001000000000, 0.0003547000000000 ] - [ 0.0000001800000000, -0.0000001000000000, 0.0003547000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003552800000000 ] - [ 0.0000000000000000, 0.0000002100000000, 0.0003547000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003331100000000 ] - [ 0.0000000000000000, 0.0000001000000000, -0.0003333400000000 ] - [ -0.0000000900000000, -0.0000000500000000, -0.0003333400000000 ] - [ 0.0000000900000000, -0.0000000500000000, -0.0003333400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006953500000000 ] - [ 0.0000000000000000, 0.0000491200000000, -0.0008276700000000 ] - [ -0.0000425400000000, -0.0000245600000000, -0.0008276700000000 ] - [ 0.0000425400000000, -0.0000245600000000, -0.0008276700000000 ]- atom: 85 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000000500000000, 0.0000011700000000, 0.0001059000000000 ] - [ -0.0000000300000000, -0.0000013400000000, 0.0001056600000000 ] - [ 0.0000021300000000, -0.0000000600000000, 0.0001057600000000 ] - [ -0.0000020700000000, -0.0000000400000000, 0.0001057700000000 ] - [ -0.0000039500000000, 0.0000976800000000, 0.0000605300000000 ] - [ -0.0000041000000000, -0.0000975600000000, 0.0001996000000000 ] - [ 0.0002028400000000, 0.0000000300000000, 0.0001299900000000 ] - [ -0.0001731100000000, -0.0000000500000000, 0.0001300800000000 ] - [ 0.0057027100000000, -0.0031344300000000, 0.0059841600000000 ] - [ 0.0059624500000000, 0.0033323500000000, -0.0062960500000000 ] - [ 0.0002332400000000, 0.0000131200000000, -0.0000102100000000 ] - [ -0.0009371600000000, 0.0000061100000000, -0.0000132800000000 ] - [ -0.0000276600000000, 0.0000001200000000, -0.0001177400000000 ] - [ -0.0000818300000000, -0.0000006000000000, -0.0001175300000000 ] - [ 0.0000187700000000, 0.0000586500000000, -0.0001288300000000 ] - [ 0.0000173500000000, -0.0000567300000000, -0.0001076400000000 ] - [ 0.0000000500000000, -0.0000001200000000, -0.0004217600000000 ] - [ 0.0000000800000000, 0.0000001200000000, -0.0004211800000000 ] - [ -0.0000001400000000, 0.0000000100000000, -0.0004214800000000 ] - [ -0.0000004800000000, 0.0000000300000000, -0.0004214700000000 ] - [ 0.0000001100000000, 0.0000002100000000, -0.0002824300000000 ] - [ 0.0000001100000000, -0.0000002700000000, -0.0002827100000000 ] - [ 0.0000005200000000, -0.0000000300000000, -0.0002825700000000 ] - [ 0.0000003700000000, -0.0000000300000000, -0.0002825800000000 ] - [ 0.0000000100000000, 0.0000000000000000, -0.0003449500000000 ] - [ -0.0000000500000000, 0.0000000200000000, -0.0003449600000000 ] - [ -0.0000003500000000, -0.0000001400000000, -0.0003449700000000 ] - [ -0.0000003200000000, 0.0000001900000000, -0.0003449300000000 ] - [ 0.0000013500000000, -0.0000017600000000, -0.0000979200000000 ] - [ 0.0000010400000000, 0.0000014600000000, -0.0000966100000000 ] - [ -0.0000013300000000, 0.0000004400000000, -0.0000973800000000 ] - [ 0.0000008200000000, 0.0000000000000000, -0.0000975700000000 ] - [ 0.0000092800000000, -0.0000301200000000, -0.0003181400000000 ] - [ 0.0000093700000000, 0.0000300000000000, -0.0001889900000000 ] - [ -0.0000427400000000, -0.0000000100000000, -0.0002534600000000 ] - [ 0.0000278900000000, 0.0000000600000000, -0.0002535400000000 ] - [ -0.0000003000000000, 0.0000004000000000, -0.0007747100000000 ] - [ -0.0000003100000000, -0.0000002800000000, -0.0007781300000000 ] - [ 0.0000003800000000, 0.0000000800000000, -0.0007764200000000 ] - [ -0.0000009000000000, 0.0000000700000000, -0.0007764100000000 ] - [ 0.0000029300000000, -0.0000001700000000, 0.0003467300000000 ] - [ -0.0000003200000000, -0.0000001800000000, 0.0003467000000000 ] - [ 0.0000002200000000, 0.0000001300000000, 0.0003464500000000 ] - [ 0.0000002100000000, -0.0000005000000000, 0.0003469400000000 ] - [ 0.0000002200000000, -0.0000001100000000, -0.0004355200000000 ] - [ 0.0000002300000000, -0.0000001700000000, -0.0004349100000000 ] - [ 0.0000004200000000, -0.0000001400000000, -0.0004352200000000 ] - [ 0.0000001700000000, -0.0000001400000000, -0.0004352300000000 ] - [ 0.0000004800000000, 0.0000000100000000, 0.0007450700000000 ] - [ -0.0000000400000000, 0.0000000000000000, 0.0007450700000000 ] - [ 0.0000011300000000, 0.0000006800000000, 0.0007451000000000 ] - [ 0.0000011300000000, -0.0000006800000000, 0.0007450500000000 ] - [ -0.0000001800000000, -0.0000001100000000, 0.0005270400000000 ] - [ -0.0000001900000000, 0.0000000600000000, 0.0005270900000000 ] - [ -0.0000003400000000, -0.0000000300000000, 0.0005270500000000 ] - [ -0.0000005800000000, -0.0000000300000000, 0.0005270700000000 ] - [ -0.0000156100000000, 0.0000051200000000, 0.0005440500000000 ] - [ -0.0000152800000000, -0.0000049800000000, 0.0005430000000000 ] - [ -0.0000067000000000, 0.0000000000000000, 0.0005439700000000 ] - [ 0.0001246500000000, 0.0000000900000000, 0.0005444700000000 ] - [ 0.0000007200000000, 0.0000011700000000, -0.0003657400000000 ] - [ 0.0000006900000000, -0.0000008000000000, -0.0003703900000000 ] - [ -0.0000030200000000, 0.0000001800000000, -0.0003681000000000 ] - [ -0.0000010000000000, 0.0000001700000000, -0.0003681100000000 ] - [ 0.0000025000000000, -0.0000001100000000, 0.0007061300000000 ] - [ -0.0000004100000000, -0.0000001100000000, 0.0007061200000000 ] - [ -0.0000000200000000, 0.0000001100000000, 0.0007063700000000 ] - [ -0.0000000200000000, -0.0000003400000000, 0.0007059200000000 ] - [ 0.0000279800000000, 0.0000000400000000, 0.0003850400000000 ] - [ -0.0000052500000000, -0.0000001100000000, 0.0003854800000000 ] - [ -0.0000458300000000, -0.0000234800000000, 0.0002212500000000 ] - [ -0.0000460700000000, 0.0000235100000000, 0.0005490000000000 ] - [ 0.0018300900000000, 0.0021925800000000, 0.0033613700000000 ] - [ 0.0018253800000000, -0.0022144100000000, -0.0036656900000000 ] - [ -0.0007250200000000, -0.0000045600000000, -0.0001371700000000 ] - [ -0.0019887600000000, -0.0000054800000000, -0.0001328900000000 ] - [ 0.0000005400000000, -0.0000000600000000, 0.0008531700000000 ] - [ 0.0000002700000000, -0.0000000600000000, 0.0008531700000000 ] - [ 0.0000001900000000, -0.0000001200000000, 0.0008530800000000 ] - [ 0.0000001900000000, -0.0000000200000000, 0.0008532500000000 ] - [ 0.0000001000000000, -0.0000000100000000, -0.0005675300000000 ] - [ 0.0000000900000000, 0.0000003100000000, -0.0005677600000000 ] - [ -0.0000004700000000, 0.0000001500000000, -0.0005676500000000 ] - [ 0.0000003700000000, 0.0000001600000000, -0.0005676600000000 ] - [ -0.0273284200000000, -0.0001852800000000, 0.0006929400000000 ] - [ 0.0106250000000000, -0.0000059500000000, 0.0004347300000000 ] - [ 0.0019660100000000, -0.0049898500000000, 0.0003175400000000 ] - [ 0.0019759200000000, 0.0050021800000000, 0.0005438500000000 ] - [ 0.0004560900000000, 0.0002697600000000, -0.0008602900000000 ] - [ 0.0004612500000000, -0.0002766000000000, 0.0003741900000000 ] - [ -0.0000209900000000, -0.0000005900000000, -0.0002505900000000 ] - [ -0.0000144500000000, -0.0000003800000000, -0.0002503300000000 ] - [ 0.0000000800000000, -0.0000000400000000, -0.0007010200000000 ] - [ 0.0000000700000000, 0.0000002800000000, -0.0007007200000000 ] - [ -0.0000006300000000, 0.0000001100000000, -0.0007008700000000 ] - [ 0.0000003400000000, 0.0000001200000000, -0.0007008800000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000029700000000, 0.0000017200000000, -0.0000507900000000 ] - [ 0.0000029700000000, 0.0000017200000000, -0.0000507900000000 ] - [ 0.0000000000000000, -0.0000034300000000, -0.0000507900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000479900000000 ] - [ -0.0000025900000000, -0.0000015000000000, -0.0000162700000000 ] - [ 0.0000025900000000, -0.0000015000000000, -0.0000162700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000656100000000 ] - [ 0.0000000000000000, 0.0000029900000000, -0.0000162700000000 ] - [ 0.0077842800000000, -0.0044942600000000, 0.0089299500000000 ] - [ -0.0077842800000000, -0.0044942600000000, 0.0089299500000000 ] - [ 0.0000000000000000, 0.0089885100000000, 0.0089299500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029220600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002823100000000 ] - [ 0.0000000000000000, -0.0002943400000000, -0.0001638200000000 ] - [ 0.0002549000000000, 0.0001471700000000, -0.0001638200000000 ] - [ -0.0002549000000000, 0.0001471700000000, -0.0001638200000000 ] - [ -0.0000002900000000, 0.0000001600000000, -0.0005774100000000 ] - [ 0.0000002900000000, 0.0000001600000000, -0.0005774100000000 ] - [ 0.0000000000000000, -0.0000003300000000, -0.0005774100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005772900000000 ] - [ 0.0000001500000000, -0.0000000900000000, -0.0004392400000000 ] - [ -0.0000001500000000, -0.0000000900000000, -0.0004392400000000 ] - [ 0.0000000000000000, 0.0000001700000000, -0.0004392400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004385700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005008900000000 ] - [ 0.0000000000000000, -0.0000001300000000, -0.0005007900000000 ] - [ 0.0000001100000000, 0.0000000600000000, -0.0005007900000000 ] - [ -0.0000001100000000, 0.0000000600000000, -0.0005007900000000 ] - [ 0.0000090600000000, -0.0000052300000000, -0.0002516300000000 ] - [ -0.0000090600000000, -0.0000052300000000, -0.0002516300000000 ] - [ 0.0000000000000000, 0.0000104600000000, -0.0002516300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002574000000000 ] - [ -0.0000314500000000, 0.0000181600000000, -0.0001624700000000 ] - [ 0.0000314500000000, 0.0000181600000000, -0.0001624700000000 ] - [ 0.0000000000000000, -0.0000363200000000, -0.0001624700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002216000000000 ] - [ 0.0000010400000000, 0.0000006000000000, -0.0006973600000000 ] - [ -0.0000010400000000, 0.0000006000000000, -0.0006973600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006995100000000 ] - [ 0.0000000000000000, -0.0000012000000000, -0.0006973600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004325000000000 ] - [ 0.0000000000000000, 0.0000011500000000, 0.0004220700000000 ] - [ -0.0000009900000000, -0.0000005700000000, 0.0004220700000000 ] - [ 0.0000009900000000, -0.0000005700000000, 0.0004220700000000 ] - [ -0.0000002700000000, -0.0000001500000000, -0.0003565000000000 ] - [ 0.0000002700000000, -0.0000001500000000, -0.0003565000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003570500000000 ] - [ 0.0000000000000000, 0.0000003100000000, -0.0003565000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008236700000000 ] - [ 0.0000000000000000, -0.0000000300000000, 0.0008231500000000 ] - [ 0.0000000300000000, 0.0000000200000000, 0.0008231500000000 ] - [ -0.0000000300000000, 0.0000000200000000, 0.0008231500000000 ] - [ -0.0000000500000000, 0.0000000300000000, 0.0006046100000000 ] - [ 0.0000000500000000, 0.0000000300000000, 0.0006046100000000 ] - [ 0.0000000000000000, -0.0000000600000000, 0.0006046100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006038700000000 ] - [ 0.0000120400000000, -0.0000069500000000, 0.0005340000000000 ] - [ -0.0000120400000000, -0.0000069500000000, 0.0005340000000000 ] - [ 0.0000000000000000, 0.0000139100000000, 0.0005340000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009218800000000 ] - [ -0.0000003900000000, -0.0000002300000000, -0.0002868000000000 ] - [ 0.0000003900000000, -0.0000002300000000, -0.0002868000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002972200000000 ] - [ 0.0000000000000000, 0.0000004500000000, -0.0002868000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007908200000000 ] - [ 0.0000000000000000, -0.0000002900000000, 0.0007828100000000 ] - [ 0.0000002500000000, 0.0000001400000000, 0.0007828100000000 ] - [ -0.0000002500000000, 0.0000001400000000, 0.0007828100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003725200000000 ] - [ 0.0000000000000000, -0.0000358900000000, 0.0005107700000000 ] - [ 0.0000310800000000, 0.0000179500000000, 0.0005107700000000 ] - [ -0.0000310800000000, 0.0000179500000000, 0.0005107700000000 ] - [ 0.0034872400000000, 0.0020133600000000, 0.0035844600000000 ] - [ -0.0034872400000000, 0.0020133600000000, 0.0035844600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011003600000000 ] - [ 0.0000000000000000, -0.0040267200000000, 0.0035844600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009314900000000 ] - [ 0.0000000000000000, -0.0000000300000000, 0.0009318000000000 ] - [ 0.0000000300000000, 0.0000000200000000, 0.0009318000000000 ] - [ -0.0000000300000000, 0.0000000200000000, 0.0009318000000000 ] - [ 0.0000002300000000, 0.0000001400000000, -0.0004888600000000 ] - [ -0.0000002300000000, 0.0000001400000000, -0.0004888600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004895300000000 ] - [ 0.0000000000000000, -0.0000002700000000, -0.0004888600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0362707200000000 ] - [ 0.0000000000000000, 0.0001341800000000, -0.0013303200000000 ] - [ -0.0001162000000000, -0.0000670900000000, -0.0013303200000000 ] - [ 0.0001162000000000, -0.0000670900000000, -0.0013303200000000 ] - [ -0.0004842200000000, -0.0002795600000000, 0.0004075100000000 ] - [ 0.0004842200000000, -0.0002795600000000, 0.0004075100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003303200000000 ] - [ 0.0000000000000000, 0.0005591300000000, 0.0004075100000000 ] - [ -0.0000000500000000, -0.0000000300000000, -0.0006221400000000 ] - [ 0.0000000500000000, -0.0000000300000000, -0.0006221400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006227100000000 ] - [ 0.0000000000000000, 0.0000000600000000, -0.0006221400000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000029900000000, -0.0000017200000000, 0.0002624100000000 ] - [ -0.0000029900000000, -0.0000017200000000, 0.0002624100000000 ] - [ 0.0000000000000000, 0.0000034500000000, 0.0002624100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002595800000000 ] - [ 0.0000024400000000, 0.0000014100000000, 0.0002783900000000 ] - [ -0.0000024400000000, 0.0000014100000000, 0.0002783900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003282400000000 ] - [ 0.0000000000000000, -0.0000028200000000, 0.0002783900000000 ] - [ -0.0080244300000000, 0.0046329100000000, -0.0090578900000000 ] - [ 0.0080244300000000, 0.0046329100000000, -0.0090578900000000 ] - [ 0.0000000000000000, -0.0092658200000000, -0.0090578900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029650200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000442600000000 ] - [ 0.0000000000000000, 0.0002867800000000, -0.0000726300000000 ] - [ -0.0002483600000000, -0.0001433900000000, -0.0000726300000000 ] - [ 0.0002483600000000, -0.0001433900000000, -0.0000726300000000 ] - [ 0.0000002200000000, -0.0000001300000000, -0.0002666300000000 ] - [ -0.0000002200000000, -0.0000001300000000, -0.0002666300000000 ] - [ 0.0000000000000000, 0.0000002500000000, -0.0002666300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002667600000000 ] - [ -0.0000001300000000, 0.0000000800000000, -0.0001260000000000 ] - [ 0.0000001300000000, 0.0000000800000000, -0.0001260000000000 ] - [ 0.0000000000000000, -0.0000001500000000, -0.0001260000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001266700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001914400000000 ] - [ 0.0000000000000000, 0.0000002100000000, -0.0001915700000000 ] - [ -0.0000001900000000, -0.0000001100000000, -0.0001915700000000 ] - [ 0.0000001900000000, -0.0000001100000000, -0.0001915700000000 ] - [ -0.0000085500000000, 0.0000049400000000, 0.0000558300000000 ] - [ 0.0000085500000000, 0.0000049400000000, 0.0000558300000000 ] - [ 0.0000000000000000, -0.0000098800000000, 0.0000558300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000608100000000 ] - [ 0.0000316700000000, -0.0000182800000000, -0.0003487200000000 ] - [ -0.0000316700000000, -0.0000182800000000, -0.0003487200000000 ] - [ 0.0000000000000000, 0.0000365700000000, -0.0003487200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002891500000000 ] - [ -0.0000010700000000, -0.0000006200000000, -0.0008589800000000 ] - [ 0.0000010700000000, -0.0000006200000000, -0.0008589800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008566700000000 ] - [ 0.0000000000000000, 0.0000012400000000, -0.0008589800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002656100000000 ] - [ 0.0000000000000000, -0.0000011700000000, 0.0002759300000000 ] - [ 0.0000010100000000, 0.0000005800000000, 0.0002759300000000 ] - [ -0.0000010100000000, 0.0000005800000000, 0.0002759300000000 ] - [ 0.0000002700000000, 0.0000001600000000, -0.0005164600000000 ] - [ -0.0000002700000000, 0.0000001600000000, -0.0005164600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005159300000000 ] - [ 0.0000000000000000, -0.0000003100000000, -0.0005164600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006713400000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0006718800000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0006718800000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0006718800000000 ] - [ 0.0000000500000000, -0.0000000300000000, 0.0004542200000000 ] - [ -0.0000000500000000, -0.0000000300000000, 0.0004542200000000 ] - [ 0.0000000000000000, 0.0000000600000000, 0.0004542200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004548200000000 ] - [ -0.0000116400000000, 0.0000067200000000, 0.0005569600000000 ] - [ 0.0000116400000000, 0.0000067200000000, 0.0005569600000000 ] - [ 0.0000000000000000, -0.0000134400000000, 0.0005569600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001787200000000 ] - [ 0.0000003600000000, 0.0000002100000000, -0.0004526500000000 ] - [ -0.0000003600000000, 0.0000002100000000, -0.0004526500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004425000000000 ] - [ 0.0000000000000000, -0.0000004200000000, -0.0004526500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006263400000000 ] - [ 0.0000000000000000, 0.0000003200000000, 0.0006344400000000 ] - [ -0.0000002800000000, -0.0000001600000000, 0.0006344400000000 ] - [ 0.0000002800000000, -0.0000001600000000, 0.0006344400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004027000000000 ] - [ 0.0000000000000000, 0.0000359000000000, 0.0002638000000000 ] - [ -0.0000310900000000, -0.0000179500000000, 0.0002638000000000 ] - [ 0.0000310900000000, -0.0000179500000000, 0.0002638000000000 ] - [ -0.0035390100000000, -0.0020432500000000, -0.0039281100000000 ] - [ 0.0035390100000000, -0.0020432500000000, -0.0039281100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008217900000000 ] - [ 0.0000000000000000, 0.0040865000000000, -0.0039281100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007787300000000 ] - [ 0.0000000000000000, -0.0000000200000000, 0.0007785000000000 ] - [ 0.0000000100000000, 0.0000000100000000, 0.0007785000000000 ] - [ -0.0000000100000000, 0.0000000100000000, 0.0007785000000000 ] - [ -0.0000002300000000, -0.0000001300000000, -0.0006499700000000 ] - [ 0.0000002300000000, -0.0000001300000000, -0.0006499700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006492400000000 ] - [ 0.0000000000000000, 0.0000002600000000, -0.0006499700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0375441000000000 ] - [ 0.0000000000000000, -0.0001272600000000, 0.0021850900000000 ] - [ 0.0001102100000000, 0.0000636300000000, 0.0021850900000000 ] - [ -0.0001102100000000, 0.0000636300000000, 0.0021850900000000 ] - [ 0.0004689900000000, 0.0002707700000000, -0.0008903900000000 ] - [ -0.0004689900000000, 0.0002707700000000, -0.0008903900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001766100000000 ] - [ 0.0000000000000000, -0.0005415400000000, -0.0008903900000000 ] - [ 0.0000000500000000, 0.0000000300000000, -0.0007825000000000 ] - [ -0.0000000500000000, 0.0000000300000000, -0.0007825000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007818700000000 ] - [ 0.0000000000000000, -0.0000000500000000, -0.0007825000000000 ]- atom: 89 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000001500000000, -0.0000000800000000, 0.0001063500000000 ] - [ 0.0000002600000000, -0.0000000900000000, 0.0001063400000000 ] - [ 0.0000000100000000, 0.0000000300000000, 0.0001064700000000 ] - [ 0.0000000000000000, -0.0000001300000000, 0.0001061900000000 ] - [ 0.0000015000000000, 0.0000000100000000, 0.0001306200000000 ] - [ -0.0000014700000000, 0.0000000200000000, 0.0001306100000000 ] - [ 0.0000003700000000, 0.0000010800000000, 0.0001300500000000 ] - [ 0.0000003900000000, -0.0000010600000000, 0.0001311900000000 ] - [ -0.0000484500000000, -0.0000001000000000, -0.0000176900000000 ] - [ -0.0001445900000000, -0.0000028200000000, -0.0000184500000000 ] - [ 0.0000050600000000, -0.0000299200000000, -0.0000317100000000 ] - [ 0.0000034800000000, 0.0000309600000000, -0.0000052500000000 ] - [ 0.0058699800000000, 0.0032887400000000, 0.0060691200000000 ] - [ 0.0056077900000000, -0.0030905200000000, -0.0060310100000000 ] - [ -0.0009374500000000, 0.0000065100000000, -0.0001233700000000 ] - [ 0.0002153400000000, 0.0000151000000000, -0.0001272700000000 ] - [ 0.0000004400000000, -0.0000000100000000, -0.0004209100000000 ] - [ 0.0000007100000000, 0.0000000000000000, -0.0004209100000000 ] - [ 0.0000002000000000, 0.0000001500000000, -0.0004208300000000 ] - [ 0.0000002000000000, -0.0000001200000000, -0.0004210100000000 ] - [ -0.0000001700000000, -0.0000000200000000, -0.0002820100000000 ] - [ -0.0000004800000000, -0.0000000500000000, -0.0002820200000000 ] - [ 0.0000000600000000, -0.0000001500000000, -0.0002822700000000 ] - [ 0.0000000300000000, 0.0000000900000000, -0.0002817600000000 ] - [ -0.0000001600000000, -0.0000012600000000, -0.0003443300000000 ] - [ -0.0000001400000000, 0.0000012700000000, -0.0003444800000000 ] - [ -0.0000021200000000, 0.0000000300000000, -0.0003443800000000 ] - [ 0.0000020500000000, 0.0000000400000000, -0.0003444000000000 ] - [ -0.0001743700000000, -0.0000000600000000, -0.0000970000000000 ] - [ 0.0002047200000000, -0.0000001000000000, -0.0000969600000000 ] - [ -0.0000037900000000, -0.0000984400000000, -0.0001672900000000 ] - [ -0.0000037900000000, 0.0000985200000000, -0.0000267500000000 ] - [ 0.0000001600000000, -0.0000000100000000, -0.0002537900000000 ] - [ -0.0000000600000000, -0.0000000200000000, -0.0002537700000000 ] - [ -0.0000001800000000, 0.0000002000000000, -0.0002547900000000 ] - [ -0.0000001900000000, -0.0000001900000000, -0.0002527900000000 ] - [ 0.0000001200000000, 0.0000000600000000, -0.0007766700000000 ] - [ -0.0000002400000000, 0.0000000600000000, -0.0007766800000000 ] - [ -0.0000002200000000, 0.0000000800000000, -0.0007766500000000 ] - [ -0.0000002200000000, 0.0000000600000000, -0.0007767000000000 ] - [ 0.0000088500000000, 0.0000303600000000, 0.0002818500000000 ] - [ 0.0000087800000000, -0.0000308200000000, 0.0004111900000000 ] - [ 0.0000284900000000, -0.0000001300000000, 0.0003464700000000 ] - [ -0.0000441700000000, -0.0000002000000000, 0.0003463800000000 ] - [ 0.0000026400000000, -0.0000001500000000, -0.0004354800000000 ] - [ -0.0000002800000000, -0.0000001400000000, -0.0004354700000000 ] - [ 0.0000001300000000, 0.0000000900000000, -0.0004357300000000 ] - [ 0.0000001300000000, -0.0000003800000000, -0.0004352400000000 ] - [ 0.0000006500000000, -0.0000000200000000, 0.0007446600000000 ] - [ 0.0000006600000000, 0.0000000300000000, 0.0007450000000000 ] - [ -0.0000000400000000, 0.0000000000000000, 0.0007448300000000 ] - [ 0.0000007100000000, 0.0000000000000000, 0.0007448300000000 ] - [ -0.0000007900000000, -0.0000000300000000, 0.0005268100000000 ] - [ 0.0000004900000000, -0.0000000200000000, 0.0005268300000000 ] - [ -0.0000001800000000, -0.0000003800000000, 0.0005285200000000 ] - [ -0.0000001800000000, 0.0000003200000000, 0.0005251300000000 ] - [ -0.0020346800000000, -0.0000066500000000, 0.0005369900000000 ] - [ -0.0007419700000000, -0.0000046800000000, 0.0005419900000000 ] - [ 0.0018064400000000, -0.0022297400000000, 0.0040395500000000 ] - [ 0.0018095500000000, 0.0022074900000000, -0.0029248800000000 ] - [ 0.0000277900000000, 0.0000001000000000, -0.0003683200000000 ] - [ -0.0000061900000000, 0.0000000000000000, -0.0003686800000000 ] - [ -0.0000462200000000, -0.0000230900000000, -0.0002005300000000 ] - [ -0.0000464700000000, 0.0000232800000000, -0.0005362900000000 ] - [ 0.0000002100000000, -0.0000000800000000, 0.0007056500000000 ] - [ 0.0000002000000000, -0.0000001500000000, 0.0007061300000000 ] - [ 0.0000004000000000, -0.0000001100000000, 0.0007059000000000 ] - [ 0.0000001400000000, -0.0000001200000000, 0.0007059100000000 ] - [ 0.0000006000000000, 0.0000010700000000, 0.0003836300000000 ] - [ 0.0000006100000000, -0.0000008700000000, 0.0003860300000000 ] - [ -0.0000013600000000, 0.0000001000000000, 0.0003848300000000 ] - [ -0.0000010700000000, 0.0000001100000000, 0.0003847900000000 ] - [ 0.0000276800000000, 0.0000000300000000, -0.0001386600000000 ] - [ -0.0000052000000000, -0.0000003400000000, -0.0001394100000000 ] - [ -0.0000461300000000, -0.0000224900000000, -0.0001077300000000 ] - [ -0.0000451200000000, 0.0000242000000000, -0.0001699900000000 ] - [ 0.0000005800000000, -0.0000001800000000, 0.0008529800000000 ] - [ 0.0000006000000000, 0.0000000500000000, 0.0008528600000000 ] - [ 0.0000000200000000, -0.0000000700000000, 0.0008529200000000 ] - [ 0.0000007800000000, -0.0000000600000000, 0.0008529300000000 ] - [ 0.0000001400000000, 0.0000001500000000, -0.0005679100000000 ] - [ -0.0000001700000000, 0.0000001500000000, -0.0005679000000000 ] - [ -0.0000002300000000, 0.0000001200000000, -0.0005677900000000 ] - [ -0.0000002300000000, 0.0000001900000000, -0.0005680300000000 ] - [ 0.0004615300000000, 0.0002759400000000, -0.0000515400000000 ] - [ 0.0004554400000000, -0.0002704200000000, 0.0009017500000000 ] - [ -0.0000211700000000, -0.0000002000000000, 0.0004314400000000 ] - [ -0.0000146400000000, 0.0000034000000000, 0.0004349000000000 ] - [ -0.0269121900000000, -0.0002003200000000, -0.0005212100000000 ] - [ 0.0107464200000000, -0.0000056400000000, -0.0002531800000000 ] - [ 0.0019861400000000, -0.0050485300000000, -0.0000910000000000 ] - [ 0.0019960000000000, 0.0050604700000000, -0.0004072700000000 ] - [ 0.0000000200000000, 0.0000001200000000, -0.0007011400000000 ] - [ -0.0000004800000000, 0.0000001200000000, -0.0007011200000000 ] - [ 0.0000006900000000, 0.0000007900000000, -0.0007010900000000 ] - [ 0.0000007000000000, -0.0000005600000000, -0.0007011700000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000001700000000, -0.0000505500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000499000000000 ] - [ 0.0000001500000000, -0.0000000900000000, -0.0000505500000000 ] - [ -0.0000001500000000, -0.0000000900000000, -0.0000505500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000202100000000 ] - [ 0.0000000000000000, 0.0000125700000000, -0.0000278400000000 ] - [ -0.0000108900000000, -0.0000062900000000, -0.0000278400000000 ] - [ 0.0000108900000000, -0.0000062900000000, -0.0000278400000000 ] - [ 0.0000000000000000, 0.0000405100000000, -0.0000312300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003692100000000 ] - [ 0.0000350900000000, -0.0000202600000000, -0.0000312300000000 ] - [ -0.0000350900000000, -0.0000202600000000, -0.0000312300000000 ] - [ 0.0080275800000000, 0.0046347300000000, 0.0089125000000000 ] - [ -0.0080275800000000, 0.0046347300000000, 0.0089125000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028022100000000 ] - [ 0.0000000000000000, -0.0092694500000000, 0.0089125000000000 ] - [ 0.0000000000000000, 0.0000001300000000, -0.0005778500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005771500000000 ] - [ 0.0000001100000000, -0.0000000600000000, -0.0005778500000000 ] - [ -0.0000001100000000, -0.0000000600000000, -0.0005778500000000 ] - [ 0.0000000000000000, -0.0000003500000000, -0.0004397000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004395600000000 ] - [ -0.0000003000000000, 0.0000001700000000, -0.0004397000000000 ] - [ 0.0000003000000000, 0.0000001700000000, -0.0004397000000000 ] - [ -0.0000030000000000, -0.0000017300000000, -0.0005020100000000 ] - [ 0.0000030000000000, -0.0000017300000000, -0.0005020100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004991500000000 ] - [ 0.0000000000000000, 0.0000034700000000, -0.0005020100000000 ] - [ 0.0000000000000000, -0.0000027700000000, -0.0002439900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002937600000000 ] - [ -0.0000024000000000, 0.0000013800000000, -0.0002439900000000 ] - [ 0.0000024000000000, 0.0000013800000000, -0.0002439900000000 ] - [ 0.0000000000000000, 0.0000042800000000, -0.0001737900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001798200000000 ] - [ 0.0000037000000000, -0.0000021400000000, -0.0001737900000000 ] - [ -0.0000037000000000, -0.0000021400000000, -0.0001737900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006974300000000 ] - [ 0.0000000000000000, 0.0000000700000000, -0.0006972700000000 ] - [ -0.0000000600000000, -0.0000000400000000, -0.0006972700000000 ] - [ 0.0000000600000000, -0.0000000400000000, -0.0006972700000000 ] - [ -0.0000318200000000, -0.0000183700000000, 0.0004381800000000 ] - [ 0.0000318200000000, -0.0000183700000000, 0.0004381800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003788000000000 ] - [ 0.0000000000000000, 0.0000367400000000, 0.0004381800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003497800000000 ] - [ 0.0000000000000000, 0.0000002400000000, -0.0003579300000000 ] - [ -0.0000002100000000, -0.0000001200000000, -0.0003579300000000 ] - [ 0.0000002100000000, -0.0000001200000000, -0.0003579300000000 ] - [ -0.0000000900000000, -0.0000000500000000, 0.0008240600000000 ] - [ 0.0000000900000000, -0.0000000500000000, 0.0008240600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008234700000000 ] - [ 0.0000000000000000, 0.0000001100000000, 0.0008240600000000 ] - [ 0.0000000000000000, 0.0000011800000000, 0.0006054400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006032700000000 ] - [ 0.0000010300000000, -0.0000005900000000, 0.0006054400000000 ] - [ -0.0000010300000000, -0.0000005900000000, 0.0006054400000000 ] - [ 0.0000000000000000, 0.0040753500000000, 0.0043354300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004340400000000 ] - [ 0.0035293600000000, -0.0020376800000000, 0.0043354300000000 ] - [ -0.0035293600000000, -0.0020376800000000, 0.0043354300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003812500000000 ] - [ 0.0000000000000000, 0.0000355000000000, -0.0002404000000000 ] - [ -0.0000307500000000, -0.0000177500000000, -0.0002404000000000 ] - [ 0.0000307500000000, -0.0000177500000000, -0.0002404000000000 ] - [ -0.0000002900000000, -0.0000001700000000, 0.0007849600000000 ] - [ 0.0000002900000000, -0.0000001700000000, 0.0007849600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007843000000000 ] - [ 0.0000000000000000, 0.0000003300000000, 0.0007849600000000 ] - [ -0.0000010500000000, -0.0000006000000000, 0.0004583000000000 ] - [ 0.0000010500000000, -0.0000006000000000, 0.0004583000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004855900000000 ] - [ 0.0000000000000000, 0.0000012100000000, 0.0004583000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001503900000000 ] - [ 0.0000000000000000, 0.0001863700000000, -0.0000140500000000 ] - [ -0.0001614000000000, -0.0000931800000000, -0.0000140500000000 ] - [ 0.0001614000000000, -0.0000931800000000, -0.0000140500000000 ] - [ 0.0000002300000000, 0.0000001300000000, 0.0009322100000000 ] - [ -0.0000002300000000, 0.0000001300000000, 0.0009322100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009315800000000 ] - [ 0.0000000000000000, -0.0000002700000000, 0.0009322100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004890300000000 ] - [ 0.0000000000000000, 0.0000000400000000, -0.0004886200000000 ] - [ -0.0000000300000000, -0.0000000200000000, -0.0004886200000000 ] - [ 0.0000000300000000, -0.0000000200000000, -0.0004886200000000 ] - [ -0.0006073400000000, -0.0003506500000000, 0.0010671600000000 ] - [ 0.0006073400000000, -0.0003506500000000, 0.0010671600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003542000000000 ] - [ 0.0000000000000000, 0.0007012900000000, 0.0010671600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0374295300000000 ] - [ 0.0000000000000000, -0.0001787300000000, -0.0019511800000000 ] - [ 0.0001547800000000, 0.0000893600000000, -0.0019511800000000 ] - [ -0.0001547800000000, 0.0000893600000000, -0.0019511800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006218500000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0006223000000000 ] - [ 0.0000000300000000, 0.0000000200000000, -0.0006223000000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0006223000000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000002400000000, 0.0002653000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002646200000000 ] - [ -0.0000002100000000, 0.0000001200000000, 0.0002653000000000 ] - [ 0.0000002100000000, 0.0000001200000000, 0.0002653000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002852100000000 ] - [ 0.0000000000000000, -0.0000127800000000, 0.0002933700000000 ] - [ 0.0000110700000000, 0.0000063900000000, 0.0002933700000000 ] - [ -0.0000110700000000, 0.0000063900000000, 0.0002933700000000 ] - [ 0.0000000000000000, -0.0000424500000000, -0.0000073600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003394500000000 ] - [ -0.0000367600000000, 0.0000212200000000, -0.0000073600000000 ] - [ 0.0000367600000000, 0.0000212200000000, -0.0000073600000000 ] - [ -0.0077868200000000, -0.0044957200000000, -0.0090556700000000 ] - [ 0.0077868200000000, -0.0044957200000000, -0.0090556700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030309200000000 ] - [ 0.0000000000000000, 0.0089914400000000, -0.0090556700000000 ] - [ 0.0000000000000000, -0.0000000900000000, -0.0002633100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002639100000000 ] - [ -0.0000000700000000, 0.0000000400000000, -0.0002633100000000 ] - [ 0.0000000700000000, 0.0000000400000000, -0.0002633100000000 ] - [ 0.0000000000000000, 0.0000003900000000, -0.0001225900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001227700000000 ] - [ 0.0000003400000000, -0.0000002000000000, -0.0001225900000000 ] - [ -0.0000003400000000, -0.0000002000000000, -0.0001225900000000 ] - [ 0.0000030100000000, 0.0000017400000000, -0.0001876600000000 ] - [ -0.0000030100000000, 0.0000017400000000, -0.0001876600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001904700000000 ] - [ 0.0000000000000000, -0.0000034700000000, -0.0001876600000000 ] - [ 0.0000000000000000, 0.0000028800000000, 0.0000504500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000996900000000 ] - [ 0.0000025000000000, -0.0000014400000000, 0.0000504500000000 ] - [ -0.0000025000000000, -0.0000014400000000, 0.0000504500000000 ] - [ 0.0000000000000000, -0.0000043300000000, -0.0003365800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003303800000000 ] - [ -0.0000037500000000, 0.0000021600000000, -0.0003365800000000 ] - [ 0.0000037500000000, 0.0000021600000000, -0.0003365800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008583300000000 ] - [ 0.0000000000000000, -0.0000000900000000, -0.0008584300000000 ] - [ 0.0000000800000000, 0.0000000500000000, -0.0008584300000000 ] - [ -0.0000000800000000, 0.0000000500000000, -0.0008584300000000 ] - [ 0.0000315600000000, 0.0000182200000000, 0.0002566600000000 ] - [ -0.0000315600000000, 0.0000182200000000, 0.0002566600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003156700000000 ] - [ 0.0000000000000000, -0.0000364400000000, 0.0002566600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005225600000000 ] - [ 0.0000000000000000, -0.0000002700000000, -0.0005145800000000 ] - [ 0.0000002300000000, 0.0000001300000000, -0.0005145800000000 ] - [ -0.0000002300000000, 0.0000001300000000, -0.0005145800000000 ] - [ 0.0000001300000000, 0.0000000700000000, 0.0006675900000000 ] - [ -0.0000001300000000, 0.0000000700000000, 0.0006675900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006680100000000 ] - [ 0.0000000000000000, -0.0000001500000000, 0.0006675900000000 ] - [ 0.0000000000000000, -0.0000011300000000, 0.0004503000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004524400000000 ] - [ -0.0000009800000000, 0.0000005600000000, 0.0004503000000000 ] - [ 0.0000009800000000, 0.0000005600000000, 0.0004503000000000 ] - [ 0.0000000000000000, -0.0040160400000000, -0.0031837800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015232100000000 ] - [ -0.0034779900000000, 0.0020080200000000, -0.0031837800000000 ] - [ 0.0034779900000000, 0.0020080200000000, -0.0031837800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003580700000000 ] - [ 0.0000000000000000, -0.0000355400000000, -0.0004982200000000 ] - [ 0.0000307800000000, 0.0000177700000000, -0.0004982200000000 ] - [ -0.0000307800000000, 0.0000177700000000, -0.0004982200000000 ] - [ 0.0000002900000000, 0.0000001700000000, 0.0006287600000000 ] - [ -0.0000002900000000, 0.0000001700000000, 0.0006287600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006293700000000 ] - [ 0.0000000000000000, -0.0000003300000000, 0.0006287600000000 ] - [ 0.0000011100000000, 0.0000006400000000, 0.0003128400000000 ] - [ -0.0000011100000000, 0.0000006400000000, 0.0003128400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002849600000000 ] - [ 0.0000000000000000, -0.0000012800000000, 0.0003128400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001257400000000 ] - [ 0.0000000000000000, -0.0001914100000000, -0.0002659000000000 ] - [ 0.0001657700000000, 0.0000957100000000, -0.0002659000000000 ] - [ -0.0001657700000000, 0.0000957100000000, -0.0002659000000000 ] - [ -0.0000002400000000, -0.0000001400000000, 0.0007750200000000 ] - [ 0.0000002400000000, -0.0000001400000000, 0.0007750200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007757800000000 ] - [ 0.0000000000000000, 0.0000002800000000, 0.0007750200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006489400000000 ] - [ 0.0000000000000000, -0.0000000100000000, -0.0006495000000000 ] - [ 0.0000000100000000, 0.0000000100000000, -0.0006495000000000 ] - [ -0.0000000100000000, 0.0000000100000000, -0.0006495000000000 ] - [ 0.0006271800000000, 0.0003621100000000, -0.0002258900000000 ] - [ -0.0006271800000000, 0.0003621100000000, -0.0002258900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005129500000000 ] - [ 0.0000000000000000, -0.0007242100000000, -0.0002258900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0364632500000000 ] - [ 0.0000000000000000, 0.0001866700000000, 0.0014578300000000 ] - [ -0.0001616600000000, -0.0000933400000000, 0.0014578300000000 ] - [ 0.0001616600000000, -0.0000933400000000, 0.0014578300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007824500000000 ] - [ 0.0000000000000000, 0.0000000700000000, -0.0007820000000000 ] - [ -0.0000000600000000, -0.0000000400000000, -0.0007820000000000 ] - [ 0.0000000600000000, -0.0000000400000000, -0.0007820000000000 ]- atom: 93 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001411900000000, -0.0000001600000000, 0.0001064800000000 ] - [ -0.0001106200000000, -0.0000000200000000, 0.0001064500000000 ] - [ -0.0000122800000000, 0.0000883500000000, 0.0001995500000000 ] - [ -0.0000120300000000, -0.0000887100000000, 0.0000132300000000 ] - [ 0.0000040800000000, 0.0000000100000000, 0.0001307300000000 ] - [ -0.0000036000000000, 0.0000000300000000, 0.0001307000000000 ] - [ -0.0000001100000000, 0.0000020200000000, 0.0001291500000000 ] - [ -0.0000000800000000, -0.0000020300000000, 0.0001322600000000 ] - [ 0.0000004900000000, -0.0000000500000000, -0.0000180000000000 ] - [ 0.0000003700000000, -0.0000000400000000, -0.0000180000000000 ] - [ 0.0000000800000000, 0.0000002000000000, -0.0000178500000000 ] - [ 0.0000000900000000, -0.0000002700000000, -0.0000181600000000 ] - [ -0.0000001800000000, 0.0000002000000000, -0.0001181600000000 ] - [ -0.0000001800000000, -0.0000000600000000, -0.0001175800000000 ] - [ -0.0000006500000000, 0.0000000600000000, -0.0001178800000000 ] - [ -0.0000004000000000, 0.0000000500000000, -0.0001178800000000 ] - [ -0.0000234800000000, -0.0000002900000000, -0.0004217800000000 ] - [ -0.0002364000000000, 0.0000000500000000, -0.0004208300000000 ] - [ -0.0000052600000000, -0.0000107900000000, -0.0004230400000000 ] - [ -0.0000043100000000, 0.0000108000000000, -0.0004199300000000 ] - [ 0.0002299800000000, -0.0000131100000000, -0.0002903800000000 ] - [ -0.0009418700000000, -0.0000062000000000, -0.0002872800000000 ] - [ 0.0059532400000000, -0.0033290200000000, 0.0059914000000000 ] - [ 0.0056935800000000, 0.0031309500000000, -0.0062806800000000 ] - [ 0.0000006300000000, 0.0000015100000000, -0.0003457200000000 ] - [ 0.0000009900000000, -0.0000017000000000, -0.0003434700000000 ] - [ 0.0000000500000000, 0.0000000200000000, -0.0003442800000000 ] - [ -0.0000016900000000, 0.0000004900000000, -0.0003445000000000 ] - [ 0.0000001100000000, -0.0000000300000000, -0.0000969100000000 ] - [ 0.0000002300000000, -0.0000000500000000, -0.0000969200000000 ] - [ 0.0000000000000000, 0.0000000500000000, -0.0000967400000000 ] - [ -0.0000000200000000, -0.0000000900000000, -0.0000971000000000 ] - [ 0.0000009500000000, 0.0000000000000000, -0.0002538800000000 ] - [ -0.0000006300000000, -0.0000000100000000, -0.0002538700000000 ] - [ -0.0000002600000000, 0.0000007000000000, -0.0002494400000000 ] - [ -0.0000002600000000, -0.0000007000000000, -0.0002583400000000 ] - [ 0.0000315700000000, 0.0000001300000000, -0.0007767400000000 ] - [ 0.0000277000000000, 0.0000003300000000, -0.0007771900000000 ] - [ -0.0000480600000000, -0.0000433900000000, -0.0009391800000000 ] - [ -0.0000478500000000, 0.0000439700000000, -0.0006144900000000 ] - [ 0.0000001000000000, -0.0000001500000000, 0.0003460800000000 ] - [ 0.0000001000000000, -0.0000002100000000, 0.0003466700000000 ] - [ 0.0000003000000000, -0.0000001800000000, 0.0003463700000000 ] - [ 0.0000000400000000, -0.0000001800000000, 0.0003463800000000 ] - [ 0.0000030800000000, -0.0000001500000000, -0.0004355900000000 ] - [ -0.0000006200000000, -0.0000001400000000, -0.0004355900000000 ] - [ 0.0000001700000000, 0.0000003200000000, -0.0004355400000000 ] - [ 0.0000001700000000, -0.0000006000000000, -0.0004356200000000 ] - [ 0.0006059200000000, 0.0003510200000000, 0.0001442900000000 ] - [ 0.0006001800000000, -0.0003455600000000, 0.0013321400000000 ] - [ -0.0000149500000000, 0.0000001700000000, 0.0007456600000000 ] - [ -0.0000001800000000, 0.0000002600000000, 0.0007453900000000 ] - [ -0.0000004200000000, -0.0000000300000000, 0.0005267300000000 ] - [ -0.0000024500000000, -0.0000000300000000, 0.0005267800000000 ] - [ 0.0000019100000000, -0.0000013600000000, 0.0005274700000000 ] - [ 0.0000019200000000, 0.0000013300000000, 0.0005259700000000 ] - [ 0.0000003300000000, 0.0000000300000000, 0.0005433900000000 ] - [ -0.0000004400000000, 0.0000000200000000, 0.0005433700000000 ] - [ 0.0000000900000000, 0.0000001700000000, 0.0005434300000000 ] - [ 0.0000001000000000, -0.0000001100000000, 0.0005433400000000 ] - [ 0.0000000800000000, 0.0000001800000000, -0.0003684300000000 ] - [ -0.0000002600000000, 0.0000001800000000, -0.0003684400000000 ] - [ -0.0000002600000000, 0.0000001800000000, -0.0003684800000000 ] - [ -0.0000002500000000, 0.0000001800000000, -0.0003684000000000 ] - [ 0.0000062800000000, -0.0000363200000000, 0.0007187200000000 ] - [ 0.0000062900000000, 0.0000361400000000, 0.0006928000000000 ] - [ -0.0000882100000000, -0.0000001500000000, 0.0007058200000000 ] - [ 0.0000690400000000, -0.0000001500000000, 0.0007059200000000 ] - [ -0.0000003400000000, 0.0000008500000000, 0.0003861000000000 ] - [ -0.0000003400000000, -0.0000006400000000, 0.0003833500000000 ] - [ 0.0000010700000000, 0.0000001100000000, 0.0003847300000000 ] - [ -0.0000016200000000, 0.0000001100000000, 0.0003847200000000 ] - [ 0.0000001600000000, 0.0000003300000000, -0.0001390100000000 ] - [ -0.0000001200000000, 0.0000003200000000, -0.0001389800000000 ] - [ -0.0000001900000000, 0.0000002800000000, -0.0001390800000000 ] - [ -0.0000002100000000, 0.0000003800000000, -0.0001389100000000 ] - [ 0.0018181500000000, 0.0022187900000000, 0.0043734700000000 ] - [ 0.0018226800000000, -0.0021963900000000, -0.0026406200000000 ] - [ -0.0007189200000000, 0.0000048600000000, 0.0008513900000000 ] - [ -0.0020031700000000, 0.0000057400000000, 0.0008472300000000 ] - [ 0.0000298600000000, 0.0000000000000000, -0.0005679300000000 ] - [ 0.0000260400000000, -0.0000003400000000, -0.0005679200000000 ] - [ -0.0000491400000000, -0.0000429000000000, -0.0005259000000000 ] - [ -0.0000495700000000, 0.0000441700000000, -0.0006107900000000 ] - [ 0.0000003900000000, -0.0000004300000000, 0.0004308700000000 ] - [ 0.0000004200000000, -0.0000001400000000, 0.0004311600000000 ] - [ -0.0000002900000000, -0.0000002900000000, 0.0004310300000000 ] - [ 0.0000006700000000, -0.0000002800000000, 0.0004310100000000 ] - [ 0.0000005100000000, -0.0000000900000000, -0.0002501600000000 ] - [ 0.0000000000000000, -0.0000000900000000, -0.0002501800000000 ] - [ 0.0000011800000000, 0.0000005800000000, -0.0002501300000000 ] - [ 0.0000011700000000, -0.0000007700000000, -0.0002501900000000 ] - [ -0.0272983200000000, 0.0001846300000000, -0.0009634100000000 ] - [ 0.0106198800000000, 0.0000053400000000, -0.0007046800000000 ] - [ 0.0019934500000000, -0.0049890700000000, -0.0008145600000000 ] - [ 0.0019834500000000, 0.0049768600000000, -0.0005870000000000 ]- atom: 93 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000707400000000, -0.0000577300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000340500000000 ] - [ 0.0000612700000000, -0.0000353700000000, -0.0000577300000000 ] - [ -0.0000612700000000, -0.0000353700000000, -0.0000577300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000245100000000 ] - [ 0.0000000000000000, -0.0000002200000000, -0.0000224000000000 ] - [ 0.0000001900000000, 0.0000001100000000, -0.0000224000000000 ] - [ -0.0000001900000000, 0.0000001100000000, -0.0000224000000000 ] - [ 0.0000000000000000, 0.0000000800000000, -0.0001753700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001746700000000 ] - [ 0.0000000700000000, -0.0000000400000000, -0.0001753700000000 ] - [ -0.0000000700000000, -0.0000000400000000, -0.0001753700000000 ] - [ -0.0000003300000000, -0.0000001900000000, -0.0002765300000000 ] - [ 0.0000003300000000, -0.0000001900000000, -0.0002765300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002763100000000 ] - [ 0.0000000000000000, 0.0000003800000000, -0.0002765300000000 ] - [ 0.0000000000000000, 0.0000527700000000, -0.0004384000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007666600000000 ] - [ 0.0000457000000000, -0.0000263900000000, -0.0004384000000000 ] - [ -0.0000457000000000, -0.0000263900000000, -0.0004384000000000 ] - [ 0.0000000000000000, 0.0092736800000000, 0.0087580500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026561700000000 ] - [ 0.0080312400000000, -0.0046368400000000, 0.0087580500000000 ] - [ -0.0080312400000000, -0.0046368400000000, 0.0087580500000000 ] - [ 0.0000048600000000, 0.0000028100000000, -0.0005028600000000 ] - [ -0.0000048600000000, 0.0000028100000000, -0.0005028600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005023800000000 ] - [ 0.0000000000000000, -0.0000056100000000, -0.0005028600000000 ] - [ 0.0000000000000000, 0.0000003000000000, -0.0002543500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002537900000000 ] - [ 0.0000002600000000, -0.0000001500000000, -0.0002543500000000 ] - [ -0.0000002600000000, -0.0000001500000000, -0.0002543500000000 ] - [ 0.0000000000000000, -0.0000004600000000, -0.0001789500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001799500000000 ] - [ -0.0000004000000000, 0.0000002300000000, -0.0001789500000000 ] - [ 0.0000004000000000, 0.0000002300000000, -0.0001789500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007896800000000 ] - [ 0.0000000000000000, -0.0000499700000000, -0.0006582300000000 ] - [ 0.0000432700000000, 0.0000249800000000, -0.0006582300000000 ] - [ -0.0000432700000000, 0.0000249800000000, -0.0006582300000000 ] - [ -0.0000002800000000, -0.0000001600000000, 0.0004270300000000 ] - [ 0.0000002800000000, -0.0000001600000000, 0.0004270300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004264000000000 ] - [ 0.0000000000000000, 0.0000003300000000, 0.0004270300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003523100000000 ] - [ 0.0000000000000000, 0.0000002600000000, -0.0003601200000000 ] - [ -0.0000002200000000, -0.0000001300000000, -0.0003601200000000 ] - [ 0.0000002200000000, -0.0000001300000000, -0.0003601200000000 ] - [ -0.0005838900000000, -0.0003371100000000, 0.0014012600000000 ] - [ 0.0005838900000000, -0.0003371100000000, 0.0014012600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006697800000000 ] - [ 0.0000000000000000, 0.0006742100000000, 0.0014012600000000 ] - [ 0.0000000000000000, 0.0000030900000000, 0.0006100200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005997600000000 ] - [ 0.0000026800000000, -0.0000015400000000, 0.0006100200000000 ] - [ -0.0000026800000000, -0.0000015400000000, 0.0006100200000000 ] - [ 0.0000000000000000, 0.0000002200000000, 0.0006249300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006243800000000 ] - [ 0.0000001900000000, -0.0000001100000000, 0.0006249300000000 ] - [ -0.0000001900000000, -0.0000001100000000, 0.0006249300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002916600000000 ] - [ 0.0000000000000000, 0.0000001700000000, -0.0002918200000000 ] - [ -0.0000001500000000, -0.0000000900000000, -0.0002918200000000 ] - [ 0.0000001500000000, -0.0000000900000000, -0.0002918200000000 ] - [ 0.0000135700000000, 0.0000078400000000, 0.0007685600000000 ] - [ -0.0000135700000000, 0.0000078400000000, 0.0007685600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008424500000000 ] - [ 0.0000000000000000, -0.0000156700000000, 0.0007685600000000 ] - [ 0.0000010800000000, 0.0000006200000000, 0.0004661300000000 ] - [ -0.0000010800000000, 0.0000006200000000, 0.0004661300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004649700000000 ] - [ 0.0000000000000000, -0.0000012500000000, 0.0004661300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000624100000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0000619300000000 ] - [ 0.0000000300000000, 0.0000000200000000, -0.0000619300000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0000619300000000 ] - [ 0.0035339600000000, 0.0020403300000000, 0.0046442700000000 ] - [ -0.0035339600000000, 0.0020403300000000, 0.0046442700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001034700000000 ] - [ 0.0000000000000000, -0.0040806700000000, 0.0046442700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005785600000000 ] - [ 0.0000000000000000, 0.0001878800000000, -0.0004480300000000 ] - [ -0.0001627100000000, -0.0000939400000000, -0.0004480300000000 ] - [ 0.0001627100000000, -0.0000939400000000, -0.0004480300000000 ] - [ -0.0000000200000000, -0.0000000100000000, 0.0005106700000000 ] - [ 0.0000000200000000, -0.0000000100000000, 0.0005106700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005101800000000 ] - [ 0.0000000000000000, 0.0000000200000000, 0.0005106700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001735600000000 ] - [ 0.0000000000000000, -0.0000000100000000, -0.0001740200000000 ] - [ 0.0000000100000000, 0.0000000100000000, -0.0001740200000000 ] - [ -0.0000000100000000, 0.0000000100000000, -0.0001740200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0378328400000000 ] - [ 0.0000000000000000, 0.0001280900000000, -0.0024425900000000 ] - [ -0.0001109300000000, -0.0000640400000000, -0.0024425900000000 ] - [ 0.0001109300000000, -0.0000640400000000, -0.0024425900000000 ]- atom: 93 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000702800000000, 0.0002726700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002489700000000 ] - [ -0.0000608700000000, 0.0000351400000000, 0.0002726700000000 ] - [ 0.0000608700000000, 0.0000351400000000, 0.0002726700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002902800000000 ] - [ 0.0000000000000000, 0.0000003500000000, 0.0002879800000000 ] - [ -0.0000003000000000, -0.0000001800000000, 0.0002879800000000 ] - [ 0.0000003000000000, -0.0000001800000000, 0.0002879800000000 ] - [ 0.0000000000000000, -0.0000001900000000, 0.0001405800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001399200000000 ] - [ -0.0000001700000000, 0.0000001000000000, 0.0001405800000000 ] - [ 0.0000001700000000, 0.0000001000000000, 0.0001405800000000 ] - [ 0.0000003700000000, 0.0000002100000000, 0.0000400300000000 ] - [ -0.0000003700000000, 0.0000002100000000, 0.0000400300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000397900000000 ] - [ 0.0000000000000000, -0.0000004300000000, 0.0000400300000000 ] - [ 0.0000000000000000, -0.0000542600000000, -0.0004062800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000694700000000 ] - [ -0.0000469900000000, 0.0000271300000000, -0.0004062800000000 ] - [ 0.0000469900000000, 0.0000271300000000, -0.0004062800000000 ] - [ 0.0000000000000000, -0.0089963400000000, -0.0092301400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032131500000000 ] - [ -0.0077910600000000, 0.0044981700000000, -0.0092301400000000 ] - [ 0.0077910600000000, 0.0044981700000000, -0.0092301400000000 ] - [ -0.0000052900000000, -0.0000030500000000, -0.0001871800000000 ] - [ 0.0000052900000000, -0.0000030500000000, -0.0001871800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001870400000000 ] - [ 0.0000000000000000, 0.0000061100000000, -0.0001871800000000 ] - [ 0.0000000000000000, -0.0000002900000000, 0.0000608900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000603400000000 ] - [ -0.0000002500000000, 0.0000001500000000, 0.0000608900000000 ] - [ 0.0000002500000000, 0.0000001500000000, 0.0000608900000000 ] - [ 0.0000000000000000, 0.0000005300000000, -0.0003323400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003313000000000 ] - [ 0.0000004600000000, -0.0000002700000000, -0.0003323400000000 ] - [ -0.0000004600000000, -0.0000002700000000, -0.0003323400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007676400000000 ] - [ 0.0000000000000000, 0.0000498700000000, -0.0008984100000000 ] - [ -0.0000431900000000, -0.0000249400000000, -0.0008984100000000 ] - [ 0.0000431900000000, -0.0000249400000000, -0.0008984100000000 ] - [ 0.0000002900000000, 0.0000001700000000, 0.0002681600000000 ] - [ -0.0000002900000000, 0.0000001700000000, 0.0002681600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002687000000000 ] - [ 0.0000000000000000, -0.0000003300000000, 0.0002681600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005211200000000 ] - [ 0.0000000000000000, -0.0000003000000000, -0.0005132200000000 ] - [ 0.0000002600000000, 0.0000001500000000, -0.0005132200000000 ] - [ -0.0000002600000000, 0.0000001500000000, -0.0005132200000000 ] - [ 0.0006033300000000, 0.0003483300000000, 0.0000697400000000 ] - [ -0.0006033300000000, 0.0003483300000000, 0.0000697400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008259300000000 ] - [ 0.0000000000000000, -0.0006966700000000, 0.0000697400000000 ] - [ 0.0000000000000000, -0.0000031100000000, 0.0004460300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004565900000000 ] - [ -0.0000026900000000, 0.0000015500000000, 0.0004460300000000 ] - [ 0.0000026900000000, 0.0000015500000000, 0.0004460300000000 ] - [ 0.0000000000000000, -0.0000002700000000, 0.0004648600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004654900000000 ] - [ -0.0000002400000000, 0.0000001400000000, 0.0004648600000000 ] - [ 0.0000002400000000, 0.0000001400000000, 0.0004648600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004478200000000 ] - [ 0.0000000000000000, -0.0000001300000000, -0.0004479200000000 ] - [ 0.0000001100000000, 0.0000000600000000, -0.0004479200000000 ] - [ -0.0000001100000000, 0.0000000600000000, -0.0004479200000000 ] - [ -0.0000135500000000, -0.0000078200000000, 0.0006454700000000 ] - [ 0.0000135500000000, -0.0000078200000000, 0.0006454700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005721400000000 ] - [ 0.0000000000000000, 0.0000156400000000, 0.0006454700000000 ] - [ -0.0000010500000000, -0.0000006100000000, 0.0003053100000000 ] - [ 0.0000010500000000, -0.0000006100000000, 0.0003053100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003065400000000 ] - [ 0.0000000000000000, 0.0000012200000000, 0.0003053100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002170700000000 ] - [ 0.0000000000000000, 0.0000000200000000, -0.0002174200000000 ] - [ -0.0000000100000000, -0.0000000100000000, -0.0002174200000000 ] - [ 0.0000000100000000, -0.0000000100000000, -0.0002174200000000 ] - [ -0.0034821600000000, -0.0020104200000000, -0.0028722400000000 ] - [ 0.0034821600000000, -0.0020104200000000, -0.0028722400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018108500000000 ] - [ 0.0000000000000000, 0.0040208500000000, -0.0028722400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005578000000000 ] - [ 0.0000000000000000, -0.0001928900000000, -0.0006922600000000 ] - [ 0.0001670500000000, 0.0000964400000000, -0.0006922600000000 ] - [ -0.0001670500000000, 0.0000964400000000, -0.0006922600000000 ] - [ 0.0000000500000000, 0.0000000300000000, 0.0003523300000000 ] - [ -0.0000000500000000, 0.0000000300000000, 0.0003523300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003529200000000 ] - [ 0.0000000000000000, -0.0000000600000000, 0.0003523300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003295800000000 ] - [ 0.0000000000000000, 0.0000000300000000, -0.0003291100000000 ] - [ -0.0000000300000000, -0.0000000200000000, -0.0003291100000000 ] - [ 0.0000000300000000, -0.0000000200000000, -0.0003291100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0359773900000000 ] - [ 0.0000000000000000, -0.0001348000000000, 0.0010478600000000 ] - [ 0.0001167400000000, 0.0000674000000000, 0.0010478600000000 ] - [ -0.0001167400000000, 0.0000674000000000, 0.0010478600000000 ]