# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/190b2c48-77cd-425b-bc49-320aeb937018/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 Cs2ThCl6 / P-3m1 (164) / materials id 27501](https://mdr.nims.go.jp/datasets/8eef5411-ba60-421c-8ae0-98b99fbd7536) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P-3m1" number: 164 Hall_symbol: "-P 3 2\""supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 3 ]primitive_cell: lattice: - [ 7.546347900000000, 0.000000000000000, 0.000000000000000 ] # a - [ -3.773173960000000, 6.535328990000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.012198800000000 ] # c points: - symbol: Cl # 1 coordinates: [ 0.829163030000000, 0.658326050000000, 0.757481770000000 ] mass: 35.453000 - symbol: Cl # 2 coordinates: [ 0.341673950000000, 0.170836970000000, 0.757481770000000 ] mass: 35.453000 - symbol: Cl # 3 coordinates: [ 0.829163030000000, 0.170836970000000, 0.757481770000000 ] mass: 35.453000 - symbol: Cl # 4 coordinates: [ 0.170836970000000, 0.341673950000000, 0.242518230000000 ] mass: 35.453000 - symbol: Cl # 5 coordinates: [ 0.658326050000000, 0.829163030000000, 0.242518230000000 ] mass: 35.453000 - symbol: Cl # 6 coordinates: [ 0.170836970000000, 0.829163030000000, 0.242518230000000 ] mass: 35.453000 - symbol: Cs # 7 coordinates: [ 0.666666670000000, 0.333333330000000, 0.264434850000000 ] mass: 132.905452 - symbol: Cs # 8 coordinates: [ 0.333333330000000, 0.666666670000000, 0.735565150000000 ] mass: 132.905452 - symbol: Th # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 232.038060 reciprocal_lattice: # without 2pi - [ 0.132514431252235, 0.076507242724921, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.153014485044310, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.166328498651774 ] # c*unit_cell: lattice: - [ 7.546347900000000, 0.000000000000000, 0.000000000000000 ] # a - [ -3.773173960000000, 6.535328990000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.012198800000000 ] # c points: - symbol: Cl # 1 coordinates: [ 0.829163030000000, 0.658326050000000, 0.757481770000000 ] mass: 35.453000 reduced_to: 1 - symbol: Cl # 2 coordinates: [ 0.341673950000000, 0.170836970000000, 0.757481770000000 ] mass: 35.453000 reduced_to: 2 - symbol: Cl # 3 coordinates: [ 0.829163030000000, 0.170836970000000, 0.757481770000000 ] mass: 35.453000 reduced_to: 3 - symbol: Cl # 4 coordinates: [ 0.170836970000000, 0.341673950000000, 0.242518230000000 ] mass: 35.453000 reduced_to: 4 - symbol: Cl # 5 coordinates: [ 0.658326050000000, 0.829163030000000, 0.242518230000000 ] mass: 35.453000 reduced_to: 5 - symbol: Cl # 6 coordinates: [ 0.170836970000000, 0.829163030000000, 0.242518230000000 ] mass: 35.453000 reduced_to: 6 - symbol: Cs # 7 coordinates: [ 0.666666670000000, 0.333333330000000, 0.264434850000000 ] mass: 132.905452 reduced_to: 7 - symbol: Cs # 8 coordinates: [ 0.333333330000000, 0.666666670000000, 0.735565150000000 ] mass: 132.905452 reduced_to: 8 - symbol: Th # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 232.038060 reduced_to: 9supercell: lattice: - [ 15.092695800000000, 0.000000000000000, 0.000000000000000 ] # a - [ -7.546347920000000, 13.070657980000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 18.036596400000001 ] # c points: - symbol: Cl # 1 coordinates: [ 0.414581515000000, 0.329163025000000, 0.252493923333333 ] mass: 35.453000 reduced_to: 1 - symbol: Cl # 2 coordinates: [ 0.914581515000000, 0.329163025000000, 0.252493923333333 ] mass: 35.453000 reduced_to: 1 - symbol: Cl # 3 coordinates: [ 0.414581515000000, 0.829163025000000, 0.252493923333333 ] mass: 35.453000 reduced_to: 1 - symbol: Cl # 4 coordinates: [ 0.914581515000000, 0.829163025000000, 0.252493923333333 ] mass: 35.453000 reduced_to: 1 - symbol: Cl # 5 coordinates: [ 0.414581515000000, 0.329163025000000, 0.585827256666667 ] mass: 35.453000 reduced_to: 1 - symbol: Cl # 6 coordinates: [ 0.914581515000000, 0.329163025000000, 0.585827256666667 ] mass: 35.453000 reduced_to: 1 - symbol: Cl # 7 coordinates: [ 0.414581515000000, 0.829163025000000, 0.585827256666667 ] mass: 35.453000 reduced_to: 1 - symbol: Cl # 8 coordinates: [ 0.914581515000000, 0.829163025000000, 0.585827256666667 ] mass: 35.453000 reduced_to: 1 - symbol: Cl # 9 coordinates: [ 0.414581515000000, 0.329163025000000, 0.919160590000000 ] mass: 35.453000 reduced_to: 1 - symbol: Cl # 10 coordinates: [ 0.914581515000000, 0.329163025000000, 0.919160590000000 ] mass: 35.453000 reduced_to: 1 - symbol: Cl # 11 coordinates: [ 0.414581515000000, 0.829163025000000, 0.919160590000000 ] mass: 35.453000 reduced_to: 1 - symbol: Cl # 12 coordinates: [ 0.914581515000000, 0.829163025000000, 0.919160590000000 ] mass: 35.453000 reduced_to: 1 - symbol: Cl # 13 coordinates: [ 0.170836975000000, 0.085418485000000, 0.252493923333333 ] mass: 35.453000 reduced_to: 13 - symbol: Cl # 14 coordinates: [ 0.670836975000000, 0.085418485000000, 0.252493923333333 ] mass: 35.453000 reduced_to: 13 - symbol: Cl # 15 coordinates: [ 0.170836975000000, 0.585418485000000, 0.252493923333333 ] mass: 35.453000 reduced_to: 13 - symbol: Cl # 16 coordinates: [ 0.670836975000000, 0.585418485000000, 0.252493923333333 ] mass: 35.453000 reduced_to: 13 - symbol: Cl # 17 coordinates: [ 0.170836975000000, 0.085418485000000, 0.585827256666667 ] mass: 35.453000 reduced_to: 13 - symbol: Cl # 18 coordinates: [ 0.670836975000000, 0.085418485000000, 0.585827256666667 ] mass: 35.453000 reduced_to: 13 - symbol: Cl # 19 coordinates: [ 0.170836975000000, 0.585418485000000, 0.585827256666667 ] mass: 35.453000 reduced_to: 13 - symbol: Cl # 20 coordinates: [ 0.670836975000000, 0.585418485000000, 0.585827256666667 ] mass: 35.453000 reduced_to: 13 - symbol: Cl # 21 coordinates: [ 0.170836975000000, 0.085418485000000, 0.919160590000000 ] mass: 35.453000 reduced_to: 13 - symbol: Cl # 22 coordinates: [ 0.670836975000000, 0.085418485000000, 0.919160590000000 ] mass: 35.453000 reduced_to: 13 - symbol: Cl # 23 coordinates: [ 0.170836975000000, 0.585418485000000, 0.919160590000000 ] mass: 35.453000 reduced_to: 13 - symbol: Cl # 24 coordinates: [ 0.670836975000000, 0.585418485000000, 0.919160590000000 ] mass: 35.453000 reduced_to: 13 - symbol: Cl # 25 coordinates: [ 0.414581515000000, 0.085418485000000, 0.252493923333333 ] mass: 35.453000 reduced_to: 25 - symbol: Cl # 26 coordinates: [ 0.914581515000000, 0.085418485000000, 0.252493923333333 ] mass: 35.453000 reduced_to: 25 - symbol: Cl # 27 coordinates: [ 0.414581515000000, 0.585418485000000, 0.252493923333333 ] mass: 35.453000 reduced_to: 25 - symbol: Cl # 28 coordinates: [ 0.914581515000000, 0.585418485000000, 0.252493923333333 ] mass: 35.453000 reduced_to: 25 - symbol: Cl # 29 coordinates: [ 0.414581515000000, 0.085418485000000, 0.585827256666667 ] mass: 35.453000 reduced_to: 25 - symbol: Cl # 30 coordinates: [ 0.914581515000000, 0.085418485000000, 0.585827256666667 ] mass: 35.453000 reduced_to: 25 - symbol: Cl # 31 coordinates: [ 0.414581515000000, 0.585418485000000, 0.585827256666667 ] mass: 35.453000 reduced_to: 25 - symbol: Cl # 32 coordinates: [ 0.914581515000000, 0.585418485000000, 0.585827256666667 ] mass: 35.453000 reduced_to: 25 - symbol: Cl # 33 coordinates: [ 0.414581515000000, 0.085418485000000, 0.919160590000000 ] mass: 35.453000 reduced_to: 25 - symbol: Cl # 34 coordinates: [ 0.914581515000000, 0.085418485000000, 0.919160590000000 ] mass: 35.453000 reduced_to: 25 - symbol: Cl # 35 coordinates: [ 0.414581515000000, 0.585418485000000, 0.919160590000000 ] mass: 35.453000 reduced_to: 25 - symbol: Cl # 36 coordinates: [ 0.914581515000000, 0.585418485000000, 0.919160590000000 ] mass: 35.453000 reduced_to: 25 - symbol: Cl # 37 coordinates: [ 0.085418485000000, 0.170836975000000, 0.080839410000000 ] mass: 35.453000 reduced_to: 37 - symbol: Cl # 38 coordinates: [ 0.585418485000000, 0.170836975000000, 0.080839410000000 ] mass: 35.453000 reduced_to: 37 - symbol: Cl # 39 coordinates: [ 0.085418485000000, 0.670836975000000, 0.080839410000000 ] mass: 35.453000 reduced_to: 37 - symbol: Cl # 40 coordinates: [ 0.585418485000000, 0.670836975000000, 0.080839410000000 ] mass: 35.453000 reduced_to: 37 - symbol: Cl # 41 coordinates: [ 0.085418485000000, 0.170836975000000, 0.414172743333333 ] mass: 35.453000 reduced_to: 37 - symbol: Cl # 42 coordinates: [ 0.585418485000000, 0.170836975000000, 0.414172743333333 ] mass: 35.453000 reduced_to: 37 - symbol: Cl # 43 coordinates: [ 0.085418485000000, 0.670836975000000, 0.414172743333333 ] mass: 35.453000 reduced_to: 37 - symbol: Cl # 44 coordinates: [ 0.585418485000000, 0.670836975000000, 0.414172743333333 ] mass: 35.453000 reduced_to: 37 - symbol: Cl # 45 coordinates: [ 0.085418485000000, 0.170836975000000, 0.747506076666667 ] mass: 35.453000 reduced_to: 37 - symbol: Cl # 46 coordinates: [ 0.585418485000000, 0.170836975000000, 0.747506076666667 ] mass: 35.453000 reduced_to: 37 - symbol: Cl # 47 coordinates: [ 0.085418485000000, 0.670836975000000, 0.747506076666667 ] mass: 35.453000 reduced_to: 37 - symbol: Cl # 48 coordinates: [ 0.585418485000000, 0.670836975000000, 0.747506076666667 ] mass: 35.453000 reduced_to: 37 - symbol: Cl # 49 coordinates: [ 0.329163025000000, 0.414581515000000, 0.080839410000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 50 coordinates: [ 0.829163025000000, 0.414581515000000, 0.080839410000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 51 coordinates: [ 0.329163025000000, 0.914581515000000, 0.080839410000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 52 coordinates: [ 0.829163025000000, 0.914581515000000, 0.080839410000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 53 coordinates: [ 0.329163025000000, 0.414581515000000, 0.414172743333333 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 54 coordinates: [ 0.829163025000000, 0.414581515000000, 0.414172743333333 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 55 coordinates: [ 0.329163025000000, 0.914581515000000, 0.414172743333333 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 56 coordinates: [ 0.829163025000000, 0.914581515000000, 0.414172743333333 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 57 coordinates: [ 0.329163025000000, 0.414581515000000, 0.747506076666667 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 58 coordinates: [ 0.829163025000000, 0.414581515000000, 0.747506076666667 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 59 coordinates: [ 0.329163025000000, 0.914581515000000, 0.747506076666667 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 60 coordinates: [ 0.829163025000000, 0.914581515000000, 0.747506076666667 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 61 coordinates: [ 0.085418485000000, 0.414581515000000, 0.080839410000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 62 coordinates: [ 0.585418485000000, 0.414581515000000, 0.080839410000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 63 coordinates: [ 0.085418485000000, 0.914581515000000, 0.080839410000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 64 coordinates: [ 0.585418485000000, 0.914581515000000, 0.080839410000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 65 coordinates: [ 0.085418485000000, 0.414581515000000, 0.414172743333333 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 66 coordinates: [ 0.585418485000000, 0.414581515000000, 0.414172743333333 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 67 coordinates: [ 0.085418485000000, 0.914581515000000, 0.414172743333333 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 68 coordinates: [ 0.585418485000000, 0.914581515000000, 0.414172743333333 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 69 coordinates: [ 0.085418485000000, 0.414581515000000, 0.747506076666667 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 70 coordinates: [ 0.585418485000000, 0.414581515000000, 0.747506076666667 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 71 coordinates: [ 0.085418485000000, 0.914581515000000, 0.747506076666667 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 72 coordinates: [ 0.585418485000000, 0.914581515000000, 0.747506076666667 ] mass: 35.453000 reduced_to: 61 - symbol: Cs # 73 coordinates: [ 0.333333335000000, 0.166666665000000, 0.088144950000000 ] mass: 132.905452 reduced_to: 73 - symbol: Cs # 74 coordinates: [ 0.833333335000000, 0.166666665000000, 0.088144950000000 ] mass: 132.905452 reduced_to: 73 - symbol: Cs # 75 coordinates: [ 0.333333335000000, 0.666666665000000, 0.088144950000000 ] mass: 132.905452 reduced_to: 73 - symbol: Cs # 76 coordinates: [ 0.833333335000000, 0.666666665000000, 0.088144950000000 ] mass: 132.905452 reduced_to: 73 - symbol: Cs # 77 coordinates: [ 0.333333335000000, 0.166666665000000, 0.421478283333333 ] mass: 132.905452 reduced_to: 73 - symbol: Cs # 78 coordinates: [ 0.833333335000000, 0.166666665000000, 0.421478283333333 ] mass: 132.905452 reduced_to: 73 - symbol: Cs # 79 coordinates: [ 0.333333335000000, 0.666666665000000, 0.421478283333333 ] mass: 132.905452 reduced_to: 73 - symbol: Cs # 80 coordinates: [ 0.833333335000000, 0.666666665000000, 0.421478283333333 ] mass: 132.905452 reduced_to: 73 - symbol: Cs # 81 coordinates: [ 0.333333335000000, 0.166666665000000, 0.754811616666667 ] mass: 132.905452 reduced_to: 73 - symbol: Cs # 82 coordinates: [ 0.833333335000000, 0.166666665000000, 0.754811616666667 ] mass: 132.905452 reduced_to: 73 - symbol: Cs # 83 coordinates: [ 0.333333335000000, 0.666666665000000, 0.754811616666667 ] mass: 132.905452 reduced_to: 73 - symbol: Cs # 84 coordinates: [ 0.833333335000000, 0.666666665000000, 0.754811616666667 ] mass: 132.905452 reduced_to: 73 - symbol: Cs # 85 coordinates: [ 0.166666665000000, 0.333333335000000, 0.245188383333333 ] mass: 132.905452 reduced_to: 85 - symbol: Cs # 86 coordinates: [ 0.666666665000000, 0.333333335000000, 0.245188383333333 ] mass: 132.905452 reduced_to: 85 - symbol: Cs # 87 coordinates: [ 0.166666665000000, 0.833333335000000, 0.245188383333333 ] mass: 132.905452 reduced_to: 85 - symbol: Cs # 88 coordinates: [ 0.666666665000000, 0.833333335000000, 0.245188383333333 ] mass: 132.905452 reduced_to: 85 - symbol: Cs # 89 coordinates: [ 0.166666665000000, 0.333333335000000, 0.578521716666667 ] mass: 132.905452 reduced_to: 85 - symbol: Cs # 90 coordinates: [ 0.666666665000000, 0.333333335000000, 0.578521716666667 ] mass: 132.905452 reduced_to: 85 - symbol: Cs # 91 coordinates: [ 0.166666665000000, 0.833333335000000, 0.578521716666667 ] mass: 132.905452 reduced_to: 85 - symbol: Cs # 92 coordinates: [ 0.666666665000000, 0.833333335000000, 0.578521716666667 ] mass: 132.905452 reduced_to: 85 - symbol: Cs # 93 coordinates: [ 0.166666665000000, 0.333333335000000, 0.911855050000000 ] mass: 132.905452 reduced_to: 85 - symbol: Cs # 94 coordinates: [ 0.666666665000000, 0.333333335000000, 0.911855050000000 ] mass: 132.905452 reduced_to: 85 - symbol: Cs # 95 coordinates: [ 0.166666665000000, 0.833333335000000, 0.911855050000000 ] mass: 132.905452 reduced_to: 85 - symbol: Cs # 96 coordinates: [ 0.666666665000000, 0.833333335000000, 0.911855050000000 ] mass: 132.905452 reduced_to: 85 - symbol: Th # 97 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 232.038060 reduced_to: 97 - symbol: Th # 98 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 232.038060 reduced_to: 97 - symbol: Th # 99 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 232.038060 reduced_to: 97 - symbol: Th # 100 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 232.038060 reduced_to: 97 - symbol: Th # 101 coordinates: [ 0.000000000000000, 0.000000000000000, 0.333333333333333 ] mass: 232.038060 reduced_to: 97 - symbol: Th # 102 coordinates: [ 0.500000000000000, 0.000000000000000, 0.333333333333333 ] mass: 232.038060 reduced_to: 97 - symbol: Th # 103 coordinates: [ 0.000000000000000, 0.500000000000000, 0.333333333333333 ] mass: 232.038060 reduced_to: 97 - symbol: Th # 104 coordinates: [ 0.500000000000000, 0.500000000000000, 0.333333333333333 ] mass: 232.038060 reduced_to: 97 - symbol: Th # 105 coordinates: [ 0.000000000000000, 0.000000000000000, 0.666666666666667 ] mass: 232.038060 reduced_to: 97 - symbol: Th # 106 coordinates: [ 0.500000000000000, 0.000000000000000, 0.666666666666667 ] mass: 232.038060 reduced_to: 97 - symbol: Th # 107 coordinates: [ 0.000000000000000, 0.500000000000000, 0.666666666666667 ] mass: 232.038060 reduced_to: 97 - symbol: Th # 108 coordinates: [ 0.500000000000000, 0.500000000000000, 0.666666666666667 ] mass: 232.038060 reduced_to: 97born_effective_charge:- # 1 (Cl) - [ -0.757056070000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -1.643755810000000, -0.646823860000000 ] - [ -0.000000000000000, -0.613285510000000, -1.100698910000000 ]- # 2 (Cl) - [ -1.422080875000000, -0.383952249331718, 0.560165894774306 ] - [ -0.383952251037339, -0.978731005000000, 0.323411930857135 ] - [ 0.531120831204964, 0.306642754187308, -1.100698910000000 ]- # 3 (Cl) - [ -1.422080875000000, 0.383952251366887, -0.560165894774306 ] - [ 0.383952249002170, -0.978731005000000, 0.323411929142865 ] - [ -0.531120831204964, 0.306642755812692, -1.100698910000000 ]- # 4 (Cl) - [ -0.757056070000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -1.643755810000000, -0.646823860000000 ] - [ -0.000000000000000, -0.613285510000000, -1.100698910000000 ]- # 5 (Cl) - [ -1.422080875000000, -0.383952249331718, 0.560165894774306 ] - [ -0.383952251037339, -0.978731005000000, 0.323411930857135 ] - [ 0.531120831204964, 0.306642754187308, -1.100698910000000 ]- # 6 (Cl) - [ -1.422080875000000, 0.383952251366887, -0.560165894774306 ] - [ 0.383952249002170, -0.978731005000000, 0.323411929142865 ] - [ -0.531120831204964, 0.306642755812692, -1.100698910000000 ]- # 7 (Cs) - [ 1.400072750000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.400072750000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.381216720000000 ]- # 8 (Cs) - [ 1.400072750000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.400072750000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.381216720000000 ]- # 9 (Th) - [ 4.402290140000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 4.402290140000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.841760040000000 ]dielectric_constant: - [ 2.986503740000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 2.986503740000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.892825040000000 ]displacements:- atom: 1 displacement: [ -0.0050000000083293, 0.0086602540330355, 0.0000000000000000 ] forces: - [ 0.0042462100000000, -0.0502543900000000, -0.0299967100000000 ] - [ -0.0002431800000000, -0.0004943400000000, -0.0005093800000000 ] - [ -0.0003337300000000, 0.0006610000000000, -0.0000876000000000 ] - [ 0.0002666100000000, 0.0003171100000000, -0.0002050200000000 ] - [ 0.0000550300000000, -0.0004402500000000, -0.0002622200000000 ] - [ -0.0000289300000000, -0.0002566500000000, -0.0003299300000000 ] - [ -0.0000820400000000, -0.0000314100000000, -0.0002364800000000 ] - [ 0.0000757600000000, -0.0000822200000000, -0.0002528200000000 ] - [ 0.0000550700000000, -0.0004271600000000, -0.0002293000000000 ] - [ -0.0000288100000000, -0.0002448300000000, -0.0003206500000000 ] - [ -0.0000475400000000, -0.0000000800000000, -0.0002226600000000 ] - [ 0.0000414100000000, -0.0000908800000000, -0.0002665600000000 ] - [ 0.0022392300000000, 0.0020701800000000, -0.0011653800000000 ] - [ -0.0001567700000000, 0.0002445400000000, -0.0002947900000000 ] - [ -0.0001585400000000, 0.0000888700000000, -0.0002758100000000 ] - [ 0.0035456300000000, 0.0015750100000000, -0.0024329500000000 ] - [ 0.0003944100000000, 0.0001606800000000, -0.0005317600000000 ] - [ 0.0001387300000000, 0.0001441600000000, -0.0003473500000000 ] - [ 0.0000595800000000, 0.0000969800000000, -0.0002236800000000 ] - [ 0.0001782300000000, -0.0000052000000000, -0.0000381800000000 ] - [ 0.0003845500000000, 0.0002049100000000, -0.0002172800000000 ] - [ 0.0000495800000000, 0.0001068200000000, -0.0002203300000000 ] - [ 0.0001287100000000, 0.0000863200000000, -0.0003169200000000 ] - [ 0.0001669500000000, -0.0000509300000000, -0.0002309300000000 ] - [ -0.0028952900000000, 0.0035505600000000, -0.0014311300000000 ] - [ 0.0000034000000000, 0.0001104300000000, -0.0003021400000000 ] - [ -0.0031466200000000, 0.0029994300000000, -0.0017476900000000 ] - [ -0.0001298100000000, 0.0000324500000000, -0.0003834800000000 ] - [ -0.0003787900000000, 0.0001855900000000, -0.0005583400000000 ] - [ -0.0001469300000000, 0.0001146100000000, -0.0003152800000000 ] - [ -0.0000490700000000, 0.0000060300000000, 0.0001185000000000 ] - [ -0.0001260900000000, 0.0000990100000000, -0.0002754900000000 ] - [ -0.0003250600000000, 0.0002043800000000, -0.0001835300000000 ] - [ -0.0001024000000000, 0.0001007800000000, -0.0002629500000000 ] - [ -0.0000726700000000, -0.0000198700000000, -0.0002543100000000 ] - [ -0.0001825400000000, 0.0000827500000000, -0.0003215300000000 ] - [ 0.0002183800000000, 0.0003109600000000, 0.0004773100000000 ] - [ -0.0002460800000000, 0.0005769400000000, 0.0007272700000000 ] - [ -0.0000209000000000, 0.0002623900000000, 0.0003340400000000 ] - [ 0.0000583500000000, -0.0001574400000000, -0.0001723000000000 ] - [ 0.0001783300000000, -0.0001431500000000, 0.0000832300000000 ] - [ -0.0002456800000000, 0.0001014800000000, 0.0000098100000000 ] - [ -0.0000357300000000, 0.0003501400000000, 0.0003604600000000 ] - [ -0.0001126800000000, 0.0067737000000000, 0.0043133900000000 ] - [ 0.0000260300000000, 0.0002114600000000, 0.0003731400000000 ] - [ -0.0000221900000000, 0.0002397700000000, 0.0003759300000000 ] - [ -0.0000057800000000, 0.0003111800000000, 0.0003901300000000 ] - [ 0.0000186700000000, 0.0003334900000000, 0.0004931700000000 ] - [ -0.0001918300000000, -0.0004716900000000, -0.0000683100000000 ] - [ -0.0003884400000000, -0.0002599000000000, 0.0004948300000000 ] - [ -0.0003877400000000, 0.0000806300000000, 0.0005045000000000 ] - [ -0.0000251500000000, 0.0000350900000000, 0.0002221300000000 ] - [ -0.0032190200000000, -0.0017282000000000, 0.0034854900000000 ] - [ -0.0002290700000000, -0.0002695300000000, 0.0002601600000000 ] - [ -0.0002305600000000, 0.0002759500000000, 0.0000960500000000 ] - [ 0.0003823300000000, 0.0004091200000000, -0.0000072700000000 ] - [ -0.0003025800000000, -0.0002341700000000, 0.0005092600000000 ] - [ -0.0002456700000000, -0.0001580700000000, 0.0003990800000000 ] - [ -0.0002459800000000, -0.0000909700000000, 0.0003641400000000 ] - [ -0.0001448000000000, -0.0000691300000000, 0.0003514300000000 ] - [ 0.0001242700000000, -0.0001399400000000, 0.0002770000000000 ] - [ 0.0004957200000000, -0.0010384800000000, 0.0011136800000000 ] - [ 0.0004178600000000, 0.0000309200000000, 0.0004894600000000 ] - [ -0.0000194000000000, 0.0000912700000000, 0.0002130900000000 ] - [ -0.0001253000000000, -0.0001358300000000, 0.0002256200000000 ] - [ 0.0030929800000000, -0.0036169900000000, 0.0013060700000000 ] - [ 0.0003466000000000, 0.0001382900000000, 0.0002214900000000 ] - [ -0.0005448600000000, 0.0005675500000000, -0.0001196500000000 ] - [ 0.0002001900000000, -0.0001395100000000, 0.0003890800000000 ] - [ 0.0003522000000000, -0.0002442900000000, 0.0005220600000000 ] - [ 0.0002578700000000, -0.0001057400000000, 0.0003729100000000 ] - [ 0.0001313700000000, -0.0000515000000000, 0.0003449000000000 ] - [ -0.0002188100000000, -0.0002237400000000, -0.0031656000000000 ] - [ 0.0000892900000000, 0.0000053600000000, -0.0024026200000000 ] - [ 0.0002718000000000, -0.0002068900000000, -0.0019431400000000 ] - [ -0.0001980600000000, -0.0000349900000000, -0.0020546000000000 ] - [ -0.0003354900000000, 0.0003780600000000, 0.0014947600000000 ] - [ 0.0001021500000000, 0.0000235400000000, 0.0004427600000000 ] - [ 0.0007641200000000, -0.0005019200000000, 0.0000486300000000 ] - [ -0.0006431700000000, -0.0002437100000000, 0.0001496000000000 ] - [ -0.0000187700000000, 0.0000795100000000, 0.0001637500000000 ] - [ 0.0000176800000000, 0.0000172600000000, 0.0002088600000000 ] - [ 0.0000580700000000, -0.0000646000000000, 0.0001539100000000 ] - [ -0.0000519400000000, -0.0000389500000000, 0.0001647400000000 ] - [ -0.0008558500000000, 0.0011305600000000, 0.0002069800000000 ] - [ 0.0009953300000000, 0.0009273600000000, -0.0000222300000000 ] - [ -0.0000494500000000, -0.0005323600000000, -0.0002481700000000 ] - [ -0.0000355000000000, -0.0008963600000000, 0.0001125800000000 ] - [ 0.0002030600000000, 0.0002545600000000, -0.0006596800000000 ] - [ -0.0001187000000000, 0.0002071500000000, -0.0004537600000000 ] - [ -0.0000087900000000, -0.0001354400000000, -0.0002903400000000 ] - [ 0.0000030600000000, -0.0003893000000000, -0.0007665200000000 ] - [ -0.0000459800000000, 0.0000806500000000, 0.0022848800000000 ] - [ 0.0000771400000000, 0.0000719600000000, 0.0021816600000000 ] - [ -0.0000095700000000, -0.0001114000000000, 0.0022839200000000 ] - [ 0.0000083800000000, -0.0000670700000000, 0.0023637900000000 ] - [ -0.0005772100000000, -0.0003668400000000, -0.0002431600000000 ] - [ 0.0005934100000000, -0.0006991400000000, -0.0004729100000000 ] - [ 0.0002511000000000, 0.0001293800000000, -0.0000973000000000 ] - [ -0.0007509900000000, 0.0013834200000000, -0.0001851900000000 ] - [ -0.0020865900000000, -0.0011499900000000, 0.0012543400000000 ] - [ 0.0026050000000000, -0.0021157700000000, 0.0015946700000000 ] - [ 0.0005374500000000, 0.0002891800000000, 0.0002007500000000 ] - [ -0.0031886800000000, 0.0399049500000000, 0.0244358300000000 ] - [ -0.0002744600000000, -0.0001679300000000, -0.0000917900000000 ] - [ 0.0002728900000000, -0.0002732500000000, -0.0000531500000000 ] - [ 0.0000932600000000, 0.0000521500000000, -0.0002658500000000 ] - [ -0.0001811300000000, 0.0003944200000000, -0.0009311200000000 ]- atom: 1 displacement: [ 0.0050000000083293, -0.0086602540330355, 0.0000000000000000 ] forces: - [ -0.0044116000000000, 0.0487409700000000, 0.0284261200000000 ] - [ 0.0002429900000000, 0.0000389300000000, -0.0001067000000000 ] - [ 0.0003318600000000, -0.0011204600000000, -0.0005294100000000 ] - [ -0.0002703500000000, -0.0007726800000000, -0.0004102000000000 ] - [ -0.0000591500000000, -0.0000395000000000, -0.0004554300000000 ] - [ 0.0000258500000000, -0.0002235600000000, -0.0003873900000000 ] - [ 0.0000785500000000, -0.0004507400000000, -0.0004806400000000 ] - [ -0.0000791700000000, -0.0003985300000000, -0.0004639500000000 ] - [ -0.0000589700000000, -0.0000255200000000, -0.0004787200000000 ] - [ 0.0000259400000000, -0.0002115500000000, -0.0003909000000000 ] - [ 0.0000442600000000, -0.0004585900000000, -0.0004889500000000 ] - [ -0.0000447100000000, -0.0003672600000000, -0.0004449100000000 ] - [ -0.0018579200000000, -0.0018476500000000, 0.0005540200000000 ] - [ 0.0005553300000000, -0.0000145700000000, -0.0003203000000000 ] - [ 0.0005545300000000, 0.0001376600000000, -0.0003378800000000 ] - [ -0.0031417500000000, -0.0013528900000000, 0.0018074600000000 ] - [ 0.0000207600000000, 0.0000805900000000, -0.0001818600000000 ] - [ 0.0002777800000000, 0.0000972600000000, -0.0003667700000000 ] - [ 0.0003570200000000, 0.0001429500000000, -0.0004908700000000 ] - [ 0.0002374200000000, 0.0002451500000000, -0.0006760300000000 ] - [ 0.0000106000000000, 0.0000250100000000, -0.0004920800000000 ] - [ 0.0003469700000000, 0.0001230900000000, -0.0004890500000000 ] - [ 0.0002676600000000, 0.0001424800000000, -0.0003917000000000 ] - [ 0.0002254700000000, 0.0002775000000000, -0.0004742300000000 ] - [ 0.0025479500000000, -0.0033951900000000, 0.0008238500000000 ] - [ -0.0003945500000000, 0.0001176900000000, -0.0003129900000000 ] - [ 0.0027322900000000, -0.0027384600000000, 0.0011311100000000 ] - [ -0.0002623000000000, 0.0001938200000000, -0.0002312000000000 ] - [ -0.0000362100000000, 0.0000542400000000, -0.0001575700000000 ] - [ -0.0002654900000000, 0.0001245400000000, -0.0004010500000000 ] - [ -0.0003637700000000, 0.0002304200000000, -0.0008344400000000 ] - [ -0.0002890800000000, 0.0001400800000000, -0.0004413800000000 ] - [ -0.0000690600000000, 0.0000234100000000, -0.0005282200000000 ] - [ -0.0002906700000000, 0.0001267500000000, -0.0004477000000000 ] - [ -0.0003182800000000, 0.0002432400000000, -0.0004527600000000 ] - [ -0.0002117700000000, 0.0001442700000000, -0.0003894700000000 ] - [ -0.0002141700000000, 0.0001503600000000, 0.0002364100000000 ] - [ 0.0002490500000000, -0.0001197600000000, -0.0000179000000000 ] - [ 0.0000243700000000, 0.0001940200000000, 0.0003761100000000 ] - [ -0.0000550600000000, 0.0006081300000000, 0.0008825500000000 ] - [ -0.0001737100000000, 0.0006271700000000, 0.0006337000000000 ] - [ 0.0002493700000000, 0.0003827200000000, 0.0007095800000000 ] - [ 0.0000389100000000, 0.0001282800000000, 0.0003561000000000 ] - [ 0.0001089700000000, -0.0062626100000000, -0.0035845000000000 ] - [ -0.0000220200000000, 0.0002442000000000, 0.0002423400000000 ] - [ 0.0000248300000000, 0.0002175400000000, 0.0002408900000000 ] - [ 0.0000089000000000, 0.0001438600000000, 0.0002262600000000 ] - [ -0.0000149600000000, 0.0001199600000000, 0.0001223600000000 ] - [ -0.0002078200000000, 0.0002356300000000, 0.0007910700000000 ] - [ -0.0000083700000000, 0.0000311900000000, 0.0002128400000000 ] - [ -0.0000068500000000, -0.0003103800000000, 0.0002021200000000 ] - [ -0.0003704500000000, -0.0002653900000000, 0.0004863200000000 ] - [ 0.0027950900000000, 0.0014660700000000, -0.0027663000000000 ] - [ -0.0001866800000000, 0.0000296100000000, 0.0004541900000000 ] - [ -0.0001880300000000, -0.0005188100000000, 0.0006207700000000 ] - [ -0.0007975400000000, -0.0006499500000000, 0.0007209900000000 ] - [ -0.0000911400000000, 0.0000052400000000, 0.0001038000000000 ] - [ -0.0001495400000000, -0.0000705400000000, 0.0002149000000000 ] - [ -0.0001496300000000, -0.0001380500000000, 0.0002500200000000 ] - [ -0.0002482600000000, -0.0001599400000000, 0.0002612600000000 ] - [ 0.0002735800000000, -0.0000883100000000, 0.0004355700000000 ] - [ -0.0001093900000000, 0.0008103500000000, -0.0003931600000000 ] - [ -0.0000247300000000, -0.0002583400000000, 0.0002204500000000 ] - [ 0.0004135900000000, -0.0003200300000000, 0.0004970000000000 ] - [ 0.0005425500000000, -0.0001044100000000, 0.0004910100000000 ] - [ -0.0026809000000000, 0.0033532200000000, -0.0006055100000000 ] - [ 0.0000659600000000, -0.0003766400000000, 0.0004946800000000 ] - [ 0.0009626200000000, -0.0008090200000000, 0.0008376800000000 ] - [ 0.0001929600000000, -0.0000868400000000, 0.0002262600000000 ] - [ 0.0000393200000000, 0.0000182400000000, 0.0000931100000000 ] - [ 0.0001339000000000, -0.0001203600000000, 0.0002420500000000 ] - [ 0.0002616800000000, -0.0001759200000000, 0.0002708700000000 ] - [ 0.0002189100000000, 0.0002047700000000, -0.0016492000000000 ] - [ -0.0000923200000000, -0.0000090500000000, -0.0023951000000000 ] - [ -0.0002744900000000, 0.0002071300000000, -0.0028531800000000 ] - [ 0.0001973300000000, 0.0000332000000000, -0.0027432600000000 ] - [ 0.0003378600000000, -0.0003992700000000, -0.0007778500000000 ] - [ -0.0001053600000000, -0.0000274400000000, 0.0002557000000000 ] - [ -0.0007638100000000, 0.0005009400000000, 0.0006486800000000 ] - [ 0.0006402500000000, 0.0002413500000000, 0.0005492500000000 ] - [ 0.0000172000000000, -0.0000831200000000, 0.0004378000000000 ] - [ -0.0000197700000000, -0.0000202100000000, 0.0003930700000000 ] - [ -0.0000604200000000, 0.0000619600000000, 0.0004475700000000 ] - [ 0.0000505000000000, 0.0000361200000000, 0.0004368000000000 ] - [ 0.0008218800000000, -0.0011305800000000, -0.0008077400000000 ] - [ -0.0009757100000000, -0.0009308400000000, -0.0005795600000000 ] - [ 0.0000537000000000, 0.0005380200000000, -0.0003535100000000 ] - [ 0.0000353100000000, 0.0008983500000000, -0.0007124000000000 ] - [ -0.0002008700000000, -0.0002520700000000, -0.0000390500000000 ] - [ 0.0001204300000000, -0.0002053200000000, -0.0002458400000000 ] - [ 0.0000109400000000, 0.0001387100000000, -0.0004092400000000 ] - [ -0.0000014500000000, 0.0003911900000000, 0.0000652800000000 ] - [ 0.0000466600000000, -0.0000791600000000, 0.0025110300000000 ] - [ -0.0000744600000000, -0.0000703400000000, 0.0026154400000000 ] - [ 0.0000118700000000, 0.0001145300000000, 0.0025143700000000 ] - [ -0.0000066400000000, 0.0000707000000000, 0.0024340500000000 ] - [ 0.0005786600000000, 0.0003656900000000, 0.0002393000000000 ] - [ -0.0005969800000000, 0.0006988100000000, 0.0004782300000000 ] - [ -0.0002516300000000, -0.0001270200000000, 0.0000947300000000 ] - [ 0.0007607600000000, -0.0013723100000000, 0.0001676200000000 ] - [ 0.0020891800000000, 0.0011484500000000, -0.0012929600000000 ] - [ -0.0026225600000000, 0.0021246000000000, -0.0016436200000000 ] - [ -0.0005437400000000, -0.0002888200000000, -0.0002367800000000 ] - [ 0.0033642200000000, -0.0387382600000000, -0.0235086500000000 ] - [ 0.0002761900000000, 0.0001668000000000, 0.0001290500000000 ] - [ -0.0002757500000000, 0.0002734900000000, 0.0000879200000000 ] - [ -0.0000913600000000, -0.0000496600000000, 0.0003032300000000 ] - [ 0.0001806200000000, -0.0003947100000000, 0.0009651000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0343296700000000, -0.0338058300000000 ] - [ 0.0000000000000000, -0.0004634800000000, -0.0005666200000000 ] - [ -0.0001178300000000, -0.0000445600000000, -0.0004114600000000 ] - [ 0.0001178300000000, -0.0000445600000000, -0.0004114600000000 ] - [ 0.0000000000000000, -0.0000992100000000, 0.0000904600000000 ] - [ 0.0000000000000000, -0.0002033400000000, -0.0002758400000000 ] - [ -0.0000441100000000, -0.0001161200000000, -0.0002296600000000 ] - [ 0.0000441100000000, -0.0001161200000000, -0.0002296600000000 ] - [ 0.0000000000000000, -0.0001203900000000, 0.0000930000000000 ] - [ 0.0000000000000000, -0.0001986200000000, -0.0002727900000000 ] - [ -0.0000165500000000, -0.0001015600000000, -0.0002261300000000 ] - [ 0.0000165500000000, -0.0001015600000000, -0.0002261300000000 ] - [ 0.0010604800000000, 0.0009238200000000, -0.0012458800000000 ] - [ 0.0001686000000000, 0.0002214800000000, -0.0004778600000000 ] - [ 0.0001874800000000, 0.0001166700000000, -0.0004782900000000 ] - [ 0.0023190300000000, 0.0005468700000000, -0.0028965100000000 ] - [ 0.0000737900000000, 0.0000028300000000, -0.0001753300000000 ] - [ 0.0001735800000000, 0.0001048100000000, -0.0002827800000000 ] - [ 0.0000767600000000, 0.0000928400000000, -0.0002190900000000 ] - [ 0.0000888100000000, 0.0000769600000000, 0.0000869400000000 ] - [ 0.0003749500000000, 0.0002462900000000, -0.0001723700000000 ] - [ 0.0000673100000000, 0.0000978700000000, -0.0002160600000000 ] - [ 0.0001908900000000, 0.0000722200000000, -0.0002791400000000 ] - [ -0.0001173200000000, -0.0002488400000000, 0.0000890800000000 ] - [ -0.0010604800000000, 0.0009238200000000, -0.0012458800000000 ] - [ -0.0001686000000000, 0.0002214800000000, -0.0004778600000000 ] - [ -0.0023190300000000, 0.0005468700000000, -0.0028965100000000 ] - [ -0.0001874800000000, 0.0001166700000000, -0.0004782900000000 ] - [ -0.0000737900000000, 0.0000028300000000, -0.0001753300000000 ] - [ -0.0001735800000000, 0.0001048100000000, -0.0002827800000000 ] - [ -0.0000888100000000, 0.0000769600000000, 0.0000869400000000 ] - [ -0.0000767600000000, 0.0000928400000000, -0.0002190900000000 ] - [ -0.0003749500000000, 0.0002462900000000, -0.0001723700000000 ] - [ -0.0000673100000000, 0.0000978700000000, -0.0002160600000000 ] - [ 0.0001173200000000, -0.0002488400000000, 0.0000890800000000 ] - [ -0.0001908900000000, 0.0000722200000000, -0.0002791400000000 ] - [ 0.0002515900000000, 0.0005172000000000, 0.0005396500000000 ] - [ -0.0002515900000000, 0.0005172000000000, 0.0005396500000000 ] - [ 0.0000000000000000, 0.0002078500000000, 0.0002996900000000 ] - [ 0.0000000000000000, -0.0003759300000000, 0.0000013100000000 ] - [ -0.0000735100000000, -0.0001159400000000, 0.0000055000000000 ] - [ 0.0000735100000000, -0.0001159400000000, 0.0000055000000000 ] - [ 0.0000000000000000, 0.0002463000000000, 0.0002889500000000 ] - [ 0.0000000000000000, 0.0047967800000000, 0.0035422300000000 ] - [ 0.0000023300000000, 0.0003078300000000, 0.0004990600000000 ] - [ -0.0000023300000000, 0.0003078300000000, 0.0004990600000000 ] - [ 0.0000000000000000, 0.0003251800000000, 0.0004530200000000 ] - [ 0.0000000000000000, 0.0004438900000000, 0.0006441600000000 ] - [ 0.0002215900000000, -0.0012256900000000, 0.0022108400000000 ] - [ -0.0003520500000000, -0.0001838400000000, 0.0003875600000000 ] - [ -0.0003412300000000, 0.0000561300000000, 0.0003876900000000 ] - [ -0.0000691100000000, -0.0000290600000000, 0.0002390300000000 ] - [ -0.0033485000000000, 0.0005919700000000, 0.0033894300000000 ] - [ 0.0000508200000000, -0.0001153000000000, 0.0001403700000000 ] - [ -0.0001137200000000, -0.0000242700000000, 0.0001400700000000 ] - [ 0.0001531400000000, 0.0002200800000000, 0.0000652100000000 ] - [ -0.0004018900000000, -0.0002457400000000, 0.0006695600000000 ] - [ -0.0002566900000000, -0.0001576700000000, 0.0004740500000000 ] - [ -0.0002916200000000, -0.0001560800000000, 0.0004738600000000 ] - [ -0.0002444900000000, -0.0001321800000000, 0.0004617300000000 ] - [ 0.0003520500000000, -0.0001838400000000, 0.0003875600000000 ] - [ -0.0002215900000000, -0.0012256900000000, 0.0022108400000000 ] - [ 0.0003412300000000, 0.0000561300000000, 0.0003876900000000 ] - [ 0.0000691100000000, -0.0000290600000000, 0.0002390300000000 ] - [ -0.0000508200000000, -0.0001153000000000, 0.0001403700000000 ] - [ 0.0033485000000000, 0.0005919700000000, 0.0033894300000000 ] - [ 0.0001137200000000, -0.0000242700000000, 0.0001400700000000 ] - [ -0.0001531400000000, 0.0002200800000000, 0.0000652100000000 ] - [ 0.0002566900000000, -0.0001576700000000, 0.0004740500000000 ] - [ 0.0004018900000000, -0.0002457400000000, 0.0006695600000000 ] - [ 0.0002916200000000, -0.0001560800000000, 0.0004738600000000 ] - [ 0.0002444900000000, -0.0001321800000000, 0.0004617300000000 ] - [ 0.0000000000000000, -0.0001471900000000, -0.0021516300000000 ] - [ 0.0000000000000000, -0.0000207200000000, -0.0023136300000000 ] - [ -0.0000414500000000, 0.0001125900000000, -0.0020914400000000 ] - [ 0.0000414500000000, 0.0001125900000000, -0.0020914400000000 ] - [ 0.0000000000000000, 0.0000827200000000, 0.0020431300000000 ] - [ 0.0000000000000000, 0.0000083600000000, 0.0004439100000000 ] - [ 0.0005206100000000, -0.0003670300000000, 0.0003378000000000 ] - [ -0.0005206100000000, -0.0003670300000000, 0.0003378000000000 ] - [ 0.0000000000000000, 0.0000301600000000, -0.0000463600000000 ] - [ 0.0000000000000000, 0.0000019200000000, 0.0001208400000000 ] - [ 0.0000257600000000, -0.0000194500000000, 0.0000339600000000 ] - [ -0.0000257600000000, -0.0000194500000000, 0.0000339600000000 ] - [ -0.0008247400000000, 0.0003959500000000, 0.0006482000000000 ] - [ 0.0008247400000000, 0.0003959500000000, 0.0006482000000000 ] - [ 0.0000000000000000, -0.0002361600000000, -0.0000891100000000 ] - [ 0.0000000000000000, -0.0003866700000000, 0.0001594500000000 ] - [ 0.0002757100000000, 0.0001754400000000, -0.0007206200000000 ] - [ -0.0002757100000000, 0.0001754400000000, -0.0007206200000000 ] - [ 0.0000000000000000, 0.0000014100000000, -0.0004008200000000 ] - [ 0.0000000000000000, -0.0002925200000000, -0.0006891200000000 ] - [ -0.0001892500000000, -0.0000279800000000, 0.0020412900000000 ] - [ 0.0001892500000000, -0.0000279800000000, 0.0020412900000000 ] - [ 0.0000000000000000, -0.0000876100000000, 0.0022269500000000 ] - [ 0.0000000000000000, 0.0000626800000000, 0.0022307200000000 ] - [ -0.0004879900000000, -0.0005155100000000, -0.0003096100000000 ] - [ 0.0004879900000000, -0.0005155100000000, -0.0003096100000000 ] - [ 0.0000000000000000, 0.0001687700000000, -0.0001907700000000 ] - [ 0.0000000000000000, 0.0020005900000000, -0.0019625400000000 ] - [ -0.0009397300000000, -0.0005589800000000, 0.0013074200000000 ] - [ 0.0009397300000000, -0.0005589800000000, 0.0013074200000000 ] - [ 0.0000000000000000, 0.0000799300000000, 0.0006542000000000 ] - [ 0.0000000000000000, 0.0274899000000000, 0.0239557100000000 ] - [ 0.0000279500000000, -0.0000142100000000, -0.0004886800000000 ] - [ -0.0000279500000000, -0.0000142100000000, -0.0004886800000000 ] - [ 0.0000000000000000, 0.0000353400000000, -0.0004606400000000 ] - [ 0.0000000000000000, 0.0000200100000000, -0.0014368400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0331240000000000, 0.0329369500000000 ] - [ 0.0000000000000000, 0.0000030200000000, -0.0000522000000000 ] - [ 0.0001185100000000, -0.0004155600000000, -0.0002062600000000 ] - [ -0.0001185100000000, -0.0004155600000000, -0.0002062600000000 ] - [ 0.0000000000000000, -0.0003869000000000, -0.0008137400000000 ] - [ 0.0000000000000000, -0.0002825700000000, -0.0004453500000000 ] - [ 0.0000439400000000, -0.0003709300000000, -0.0004923500000000 ] - [ -0.0000439400000000, -0.0003709300000000, -0.0004923500000000 ] - [ 0.0000000000000000, -0.0003404800000000, -0.0008092000000000 ] - [ 0.0000000000000000, -0.0002628600000000, -0.0004424100000000 ] - [ 0.0000165400000000, -0.0003619300000000, -0.0004884700000000 ] - [ -0.0000165400000000, -0.0003619300000000, -0.0004884700000000 ] - [ -0.0006607700000000, -0.0006877700000000, 0.0006327600000000 ] - [ 0.0002281200000000, 0.0000083400000000, -0.0001382700000000 ] - [ 0.0002117900000000, 0.0001135000000000, -0.0001389500000000 ] - [ -0.0019247700000000, -0.0003307900000000, 0.0022785200000000 ] - [ 0.0003471100000000, 0.0002412200000000, -0.0005454100000000 ] - [ 0.0002463200000000, 0.0001387600000000, -0.0004374400000000 ] - [ 0.0003435500000000, 0.0001498400000000, -0.0005005100000000 ] - [ 0.0003306400000000, 0.0001650400000000, -0.0008070300000000 ] - [ 0.0000220900000000, -0.0000160100000000, -0.0005414900000000 ] - [ 0.0003325000000000, 0.0001338000000000, -0.0004975000000000 ] - [ 0.0002079500000000, 0.0001583500000000, -0.0004335800000000 ] - [ 0.0005178700000000, 0.0004816500000000, -0.0008039900000000 ] - [ 0.0006607700000000, -0.0006877700000000, 0.0006327600000000 ] - [ -0.0002281200000000, 0.0000083400000000, -0.0001382700000000 ] - [ 0.0019247700000000, -0.0003307900000000, 0.0022785200000000 ] - [ -0.0002117900000000, 0.0001135000000000, -0.0001389500000000 ] - [ -0.0003471100000000, 0.0002412200000000, -0.0005454100000000 ] - [ -0.0002463200000000, 0.0001387600000000, -0.0004374400000000 ] - [ -0.0003306400000000, 0.0001650400000000, -0.0008070300000000 ] - [ -0.0003435500000000, 0.0001498400000000, -0.0005005100000000 ] - [ -0.0000220900000000, -0.0000160100000000, -0.0005414900000000 ] - [ -0.0003325000000000, 0.0001338000000000, -0.0004975000000000 ] - [ -0.0005178700000000, 0.0004816500000000, -0.0008039900000000 ] - [ -0.0002079500000000, 0.0001583500000000, -0.0004335800000000 ] - [ -0.0002523400000000, -0.0000546400000000, 0.0001758500000000 ] - [ 0.0002523400000000, -0.0000546400000000, 0.0001758500000000 ] - [ 0.0000000000000000, 0.0002547000000000, 0.0004154200000000 ] - [ 0.0000000000000000, 0.0008401900000000, 0.0007167500000000 ] - [ 0.0000760700000000, 0.0006043700000000, 0.0007157000000000 ] - [ -0.0000760700000000, 0.0006043700000000, 0.0007157000000000 ] - [ 0.0000000000000000, 0.0002392600000000, 0.0004322400000000 ] - [ 0.0000000000000000, -0.0043250000000000, -0.0028177900000000 ] - [ -0.0000018100000000, 0.0001525300000000, 0.0001191500000000 ] - [ 0.0000018100000000, 0.0001525300000000, 0.0001191500000000 ] - [ 0.0000000000000000, 0.0001345700000000, 0.0001661000000000 ] - [ 0.0000000000000000, 0.0000138600000000, -0.0000264900000000 ] - [ -0.0006352500000000, 0.0010117000000000, -0.0015282200000000 ] - [ -0.0000482700000000, -0.0000465900000000, 0.0003263800000000 ] - [ -0.0000569900000000, -0.0002885000000000, 0.0003265000000000 ] - [ -0.0003313200000000, -0.0002035400000000, 0.0004760200000000 ] - [ 0.0029052200000000, -0.0008103900000000, -0.0026421000000000 ] - [ -0.0004727100000000, -0.0001273100000000, 0.0005797900000000 ] - [ -0.0003059600000000, -0.0002172200000000, 0.0005791000000000 ] - [ -0.0005732300000000, -0.0004639100000000, 0.0006538400000000 ] - [ 0.0000056800000000, 0.0000166400000000, -0.0000534800000000 ] - [ -0.0001411100000000, -0.0000717300000000, 0.0001434100000000 ] - [ -0.0001057000000000, -0.0000735100000000, 0.0001430000000000 ] - [ -0.0001526900000000, -0.0000980600000000, 0.0001552500000000 ] - [ 0.0000482700000000, -0.0000465900000000, 0.0003263800000000 ] - [ 0.0006352500000000, 0.0010117000000000, -0.0015282200000000 ] - [ 0.0000569900000000, -0.0002885000000000, 0.0003265000000000 ] - [ 0.0003313200000000, -0.0002035400000000, 0.0004760200000000 ] - [ 0.0004727100000000, -0.0001273100000000, 0.0005797900000000 ] - [ -0.0029052200000000, -0.0008103900000000, -0.0026421000000000 ] - [ 0.0003059600000000, -0.0002172200000000, 0.0005791000000000 ] - [ 0.0005732300000000, -0.0004639100000000, 0.0006538400000000 ] - [ 0.0001411100000000, -0.0000717300000000, 0.0001434100000000 ] - [ -0.0000056800000000, 0.0000166400000000, -0.0000534800000000 ] - [ 0.0001057000000000, -0.0000735100000000, 0.0001430000000000 ] - [ 0.0001526900000000, -0.0000980600000000, 0.0001552500000000 ] - [ 0.0000000000000000, 0.0001064700000000, -0.0026963200000000 ] - [ 0.0000000000000000, 0.0000179200000000, -0.0024858000000000 ] - [ 0.0000425600000000, -0.0001165000000000, -0.0027089400000000 ] - [ -0.0000425600000000, -0.0001165000000000, -0.0027089400000000 ] - [ 0.0000000000000000, -0.0001323200000000, -0.0012816300000000 ] - [ 0.0000000000000000, -0.0000111200000000, 0.0002563600000000 ] - [ -0.0005213100000000, 0.0003644200000000, 0.0003630500000000 ] - [ 0.0005213100000000, 0.0003644200000000, 0.0003630500000000 ] - [ 0.0000000000000000, -0.0000323100000000, 0.0006514700000000 ] - [ 0.0000000000000000, -0.0000039800000000, 0.0004835200000000 ] - [ -0.0000256600000000, 0.0000159300000000, 0.0005706500000000 ] - [ 0.0000256600000000, 0.0000159300000000, 0.0005706500000000 ] - [ 0.0008222800000000, -0.0003943700000000, -0.0012592900000000 ] - [ -0.0008222800000000, -0.0003943700000000, -0.0012592900000000 ] - [ 0.0000000000000000, 0.0002397700000000, -0.0005150200000000 ] - [ 0.0000000000000000, 0.0003901600000000, -0.0007643600000000 ] - [ -0.0002752200000000, -0.0001720100000000, 0.0000230600000000 ] - [ 0.0002752200000000, -0.0001720100000000, 0.0000230600000000 ] - [ 0.0000000000000000, 0.0000013700000000, -0.0002975000000000 ] - [ 0.0000000000000000, 0.0002949600000000, -0.0000088200000000 ] - [ 0.0001915600000000, 0.0000318000000000, 0.0027586500000000 ] - [ -0.0001915600000000, 0.0000318000000000, 0.0027586500000000 ] - [ 0.0000000000000000, 0.0000911700000000, 0.0025720400000000 ] - [ 0.0000000000000000, -0.0000612800000000, 0.0025684000000000 ] - [ 0.0004943800000000, 0.0005184500000000, 0.0003078100000000 ] - [ -0.0004943800000000, 0.0005184500000000, 0.0003078100000000 ] - [ 0.0000000000000000, -0.0001651100000000, 0.0001875000000000 ] - [ 0.0000000000000000, -0.0020153000000000, 0.0019749000000000 ] - [ 0.0009421300000000, 0.0005560600000000, -0.0013474700000000 ] - [ -0.0009421300000000, 0.0005560600000000, -0.0013474700000000 ] - [ 0.0000000000000000, -0.0000779800000000, -0.0006911200000000 ] - [ 0.0000000000000000, -0.0267154300000000, -0.0237741100000000 ] - [ -0.0000235500000000, 0.0000158000000000, 0.0005320400000000 ] - [ 0.0000235500000000, 0.0000158000000000, 0.0005320400000000 ] - [ 0.0000000000000000, -0.0000307300000000, 0.0005018300000000 ] - [ 0.0000000000000000, -0.0000219400000000, 0.0014787800000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004234800000000, -0.0002256000000000, -0.0003093600000000 ] - [ -0.0001944100000000, -0.0002290300000000, -0.0003111300000000 ] - [ -0.0000884500000000, 0.0000425200000000, -0.0003527400000000 ] - [ -0.0000889600000000, -0.0005005800000000, -0.0002691300000000 ] - [ 0.0000222700000000, -0.0002414100000000, -0.0003619000000000 ] - [ -0.0000512700000000, -0.0002410800000000, -0.0003616200000000 ] - [ -0.0000216100000000, -0.0001781900000000, -0.0003360200000000 ] - [ -0.0000217100000000, -0.0003054800000000, -0.0003873500000000 ] - [ 0.0006591800000000, -0.0002275100000000, -0.0003570900000000 ] - [ -0.0002205800000000, -0.0002294400000000, -0.0003585900000000 ] - [ -0.0001354700000000, 0.0005823000000000, 0.0001627600000000 ] - [ -0.0001357300000000, -0.0010396700000000, -0.0008787500000000 ] - [ 0.0001029300000000, -0.0001859300000000, -0.0001876300000000 ] - [ -0.0001281300000000, 0.0001494600000000, -0.0004305300000000 ] - [ 0.0001469000000000, 0.0001960700000000, -0.0002924700000000 ] - [ 0.0002559000000000, 0.0000262800000000, -0.0003876700000000 ] - [ 0.0002764900000000, 0.0001463300000000, -0.0003872100000000 ] - [ 0.0001136400000000, 0.0001032800000000, -0.0003325000000000 ] - [ 0.0002040600000000, 0.0001463900000000, -0.0003630800000000 ] - [ 0.0001907000000000, 0.0000960400000000, -0.0003578500000000 ] - [ 0.0006836100000000, 0.0000144200000000, -0.0004564500000000 ] - [ -0.0006292200000000, -0.0000263800000000, 0.0002206800000000 ] - [ 0.0001573900000000, 0.0002174200000000, -0.0003659100000000 ] - [ 0.0002983900000000, -0.0000082400000000, -0.0003015700000000 ] - [ -0.0002786600000000, 0.0004057700000000, -0.0004074300000000 ] - [ -0.0005243600000000, 0.0000805400000000, -0.0001915100000000 ] - [ -0.0001401600000000, 0.0002027700000000, -0.0002326300000000 ] - [ -0.0002483400000000, 0.0000316300000000, -0.0003272300000000 ] - [ -0.0001412500000000, 0.0000956300000000, -0.0003346500000000 ] - [ -0.0003033700000000, 0.0001382500000000, -0.0003893100000000 ] - [ -0.0002265400000000, 0.0001446100000000, -0.0003639100000000 ] - [ -0.0002137100000000, 0.0000944300000000, -0.0003586700000000 ] - [ 0.0003032900000000, 0.0002072700000000, -0.0002720700000000 ] - [ -0.0010237200000000, 0.0002559500000000, -0.0009340600000000 ] - [ -0.0000989300000000, 0.0002381900000000, -0.0004147700000000 ] - [ -0.0002399400000000, 0.0000118000000000, -0.0003502500000000 ] - [ -0.0001941800000000, -0.0008200500000000, -0.0004675100000000 ] - [ -0.0001195900000000, 0.0012864300000000, 0.0011789800000000 ] - [ 0.0000926700000000, 0.0002291300000000, 0.0003539400000000 ] - [ 0.0000608300000000, 0.0002303000000000, 0.0003551400000000 ] - [ -0.0000925600000000, 0.0004276200000000, 0.0006326000000000 ] - [ -0.0000924900000000, 0.0000565500000000, 0.0000824000000000 ] - [ 0.0000094100000000, 0.0002409800000000, 0.0003572600000000 ] - [ -0.0000144000000000, 0.0002419900000000, 0.0003578000000000 ] - [ -0.0000395600000000, 0.0001588100000000, 0.0001166800000000 ] - [ -0.0000399500000000, 0.0003002700000000, 0.0004972500000000 ] - [ 0.0000108800000000, 0.0002285100000000, 0.0003068100000000 ] - [ -0.0000247900000000, 0.0002283300000000, 0.0003064800000000 ] - [ 0.0011811600000000, 0.0005842300000000, -0.0004004900000000 ] - [ -0.0006483100000000, -0.0004274200000000, 0.0005587500000000 ] - [ 0.0001082900000000, 0.0003458600000000, 0.0004210100000000 ] - [ -0.0009692000000000, -0.0005937700000000, 0.0006893700000000 ] - [ -0.0001039200000000, -0.0000526300000000, 0.0003442200000000 ] - [ -0.0003351900000000, -0.0001981700000000, 0.0003563600000000 ] - [ 0.0000165300000000, 0.0001109100000000, 0.0000683500000000 ] - [ -0.0005602500000000, -0.0003144100000000, 0.0006099900000000 ] - [ -0.0001179900000000, -0.0000535500000000, 0.0002361100000000 ] - [ -0.0003027800000000, -0.0001803700000000, 0.0003827500000000 ] - [ -0.0001872100000000, -0.0000756800000000, 0.0004268400000000 ] - [ -0.0002731600000000, -0.0001432300000000, 0.0002519600000000 ] - [ -0.0002506100000000, 0.0001971200000000, 0.0001485000000000 ] - [ 0.0015909100000000, -0.0007962700000000, 0.0011080200000000 ] - [ 0.0004897400000000, -0.0005859200000000, 0.0002823400000000 ] - [ -0.0005740900000000, 0.0003659700000000, 0.0000171100000000 ] - [ 0.0000828900000000, -0.0000431300000000, 0.0003568100000000 ] - [ 0.0003148000000000, -0.0001885300000000, 0.0003705400000000 ] - [ 0.0004336700000000, -0.0003519900000000, 0.0006447200000000 ] - [ -0.0001418300000000, 0.0000725400000000, 0.0001031500000000 ] - [ 0.0000930100000000, -0.0000480200000000, 0.0002292300000000 ] - [ 0.0002775000000000, -0.0001749400000000, 0.0003752200000000 ] - [ 0.0002089900000000, -0.0001533300000000, 0.0001856800000000 ] - [ 0.0001220700000000, -0.0000859700000000, 0.0003598000000000 ] - [ -0.0074175900000000, 0.0000298700000000, -0.0021619700000000 ] - [ 0.0010463400000000, -0.0000010100000000, -0.0024009900000000 ] - [ 0.0001234600000000, -0.0005346300000000, -0.0023699900000000 ] - [ 0.0001230100000000, 0.0005310500000000, -0.0024321600000000 ] - [ -0.0003899600000000, -0.0000007700000000, 0.0003466300000000 ] - [ 0.0002226800000000, -0.0000013700000000, 0.0003474800000000 ] - [ -0.0000057100000000, -0.0001335300000000, 0.0003670300000000 ] - [ -0.0000062300000000, 0.0001305000000000, 0.0003275400000000 ] - [ -0.0003896000000000, -0.0000009400000000, 0.0002994100000000 ] - [ 0.0002223800000000, -0.0000012500000000, 0.0002985600000000 ] - [ -0.0000059400000000, -0.0001335000000000, 0.0002465900000000 ] - [ -0.0000060900000000, 0.0001301900000000, 0.0003512600000000 ] - [ 0.0004160700000000, -0.0005894300000000, -0.0009664100000000 ] - [ 0.0004158400000000, 0.0005957400000000, 0.0003642000000000 ] - [ -0.0006104100000000, 0.0000024000000000, -0.0003036500000000 ] - [ 0.0002909600000000, 0.0000008600000000, -0.0003028200000000 ] - [ -0.0000115000000000, -0.0000733100000000, -0.0003701100000000 ] - [ -0.0000120100000000, 0.0000763600000000, -0.0003333500000000 ] - [ -0.0001413600000000, 0.0000013800000000, -0.0003516200000000 ] - [ 0.0001021000000000, 0.0000011300000000, -0.0003517500000000 ] - [ 0.0002948500000000, -0.0005372300000000, 0.0030047800000000 ] - [ 0.0002945800000000, 0.0005429900000000, 0.0017855200000000 ] - [ -0.0006407300000000, 0.0000018500000000, 0.0023972100000000 ] - [ 0.0003531700000000, 0.0000006900000000, 0.0023967000000000 ] - [ 0.0034617500000000, 0.0037557300000000, 0.0025232900000000 ] - [ 0.0034765200000000, -0.0037894700000000, -0.0025507400000000 ] - [ 0.0007334100000000, 0.0000013900000000, -0.0000023300000000 ] - [ -0.0030651600000000, -0.0000088500000000, -0.0000025000000000 ] - [ 0.0012229300000000, 0.0009029100000000, -0.0013821600000000 ] - [ 0.0012196100000000, -0.0009029700000000, 0.0013410400000000 ] - [ 0.0002519700000000, -0.0000000800000000, -0.0000200500000000 ] - [ -0.0003417300000000, -0.0000051000000000, -0.0000245000000000 ] - [ 0.0000495900000000, 0.0001083900000000, 0.0002903900000000 ] - [ 0.0000478200000000, -0.0001078900000000, -0.0002580200000000 ] - [ 0.0001197400000000, 0.0000020800000000, 0.0000163200000000 ] - [ -0.0001397800000000, -0.0000012300000000, 0.0000166300000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0010830200000000, -0.0000097100000000 ] - [ 0.0000000000000000, -0.0002368900000000, -0.0002287400000000 ] - [ -0.0001104800000000, 0.0002293200000000, -0.0000060800000000 ] - [ 0.0001104800000000, 0.0002293200000000, -0.0000060800000000 ] - [ 0.0000000000000000, -0.0004037900000000, -0.0007140300000000 ] - [ 0.0000000000000000, -0.0003512800000000, -0.0005470900000000 ] - [ 0.0000104200000000, -0.0004080600000000, -0.0006338000000000 ] - [ -0.0000104200000000, -0.0004080600000000, -0.0006338000000000 ] - [ 0.0000000000000000, 0.0010905500000000, 0.0012696100000000 ] - [ 0.0000000000000000, -0.0001253300000000, -0.0002692500000000 ] - [ 0.0000998500000000, -0.0005213000000000, -0.0003755000000000 ] - [ -0.0000998500000000, -0.0005213000000000, -0.0003755000000000 ] - [ 0.0009379300000000, 0.0005415100000000, -0.0000097100000000 ] - [ -0.0002538400000000, -0.0000189900000000, -0.0000060800000000 ] - [ 0.0002051500000000, 0.0001184400000000, -0.0002287400000000 ] - [ -0.0001433600000000, -0.0002103400000000, -0.0000060800000000 ] - [ 0.0003497000000000, 0.0002019000000000, -0.0007140300000000 ] - [ 0.0003586000000000, 0.0001950100000000, -0.0006338000000000 ] - [ 0.0003042200000000, 0.0001756400000000, -0.0005470900000000 ] - [ 0.0003481800000000, 0.0002130600000000, -0.0006338000000000 ] - [ -0.0009444400000000, -0.0005452800000000, 0.0012696100000000 ] - [ 0.0005013900000000, 0.0001741700000000, -0.0003755000000000 ] - [ 0.0001085400000000, 0.0000626700000000, -0.0002692500000000 ] - [ 0.0004015300000000, 0.0003471300000000, -0.0003755000000000 ] - [ -0.0009379300000000, 0.0005415100000000, -0.0000097100000000 ] - [ 0.0002538400000000, -0.0000189900000000, -0.0000060800000000 ] - [ 0.0001433600000000, -0.0002103400000000, -0.0000060800000000 ] - [ -0.0002051500000000, 0.0001184400000000, -0.0002287400000000 ] - [ -0.0003497000000000, 0.0002019000000000, -0.0007140300000000 ] - [ -0.0003586000000000, 0.0001950100000000, -0.0006338000000000 ] - [ -0.0003481800000000, 0.0002130600000000, -0.0006338000000000 ] - [ -0.0003042200000000, 0.0001756400000000, -0.0005470900000000 ] - [ 0.0009444400000000, -0.0005452800000000, 0.0012696100000000 ] - [ -0.0005013900000000, 0.0001741700000000, -0.0003755000000000 ] - [ -0.0004015300000000, 0.0003471300000000, -0.0003755000000000 ] - [ -0.0001085400000000, 0.0000626700000000, -0.0002692500000000 ] - [ -0.0002294900000000, 0.0006839100000000, 0.0013059100000000 ] - [ 0.0002294900000000, 0.0006839100000000, 0.0013059100000000 ] - [ 0.0000000000000000, 0.0002937000000000, 0.0005672600000000 ] - [ 0.0000000000000000, 0.0007093600000000, 0.0008167000000000 ] - [ 0.0002065200000000, 0.0000058800000000, -0.0000132700000000 ] - [ -0.0002065200000000, 0.0000058800000000, -0.0000132700000000 ] - [ 0.0000000000000000, 0.0003137500000000, 0.0003070200000000 ] - [ 0.0000000000000000, -0.0002347000000000, 0.0000180300000000 ] - [ -0.0001028900000000, 0.0000418600000000, -0.0000510900000000 ] - [ 0.0001028900000000, 0.0000418600000000, -0.0000510900000000 ] - [ 0.0000000000000000, 0.0000992500000000, 0.0001343900000000 ] - [ 0.0000000000000000, 0.0001905200000000, 0.0001378400000000 ] - [ -0.0007070300000000, -0.0001432200000000, 0.0013059100000000 ] - [ -0.0002543500000000, -0.0001468500000000, 0.0005672600000000 ] - [ -0.0004775400000000, -0.0005407000000000, 0.0013059100000000 ] - [ -0.0006143200000000, -0.0003546800000000, 0.0008167000000000 ] - [ 0.0000981700000000, -0.0001817900000000, -0.0000132700000000 ] - [ -0.0002717200000000, -0.0001568800000000, 0.0003070200000000 ] - [ -0.0001083500000000, 0.0001759100000000, -0.0000132700000000 ] - [ 0.0002032500000000, 0.0001173500000000, 0.0000180300000000 ] - [ -0.0000877000000000, 0.0000681800000000, -0.0000510900000000 ] - [ -0.0000859500000000, -0.0000496300000000, 0.0001343900000000 ] - [ 0.0000152000000000, -0.0001100400000000, -0.0000510900000000 ] - [ -0.0001650000000000, -0.0000952600000000, 0.0001378400000000 ] - [ 0.0002543500000000, -0.0001468500000000, 0.0005672600000000 ] - [ 0.0007070300000000, -0.0001432200000000, 0.0013059100000000 ] - [ 0.0004775400000000, -0.0005407000000000, 0.0013059100000000 ] - [ 0.0006143200000000, -0.0003546800000000, 0.0008167000000000 ] - [ 0.0002717200000000, -0.0001568800000000, 0.0003070200000000 ] - [ -0.0000981700000000, -0.0001817900000000, -0.0000132700000000 ] - [ 0.0001083500000000, 0.0001759100000000, -0.0000132700000000 ] - [ -0.0002032500000000, 0.0001173500000000, 0.0000180300000000 ] - [ 0.0000859500000000, -0.0000496300000000, 0.0001343900000000 ] - [ 0.0000877000000000, 0.0000681800000000, -0.0000510900000000 ] - [ -0.0000152000000000, -0.0001100400000000, -0.0000510900000000 ] - [ 0.0001650000000000, -0.0000952600000000, 0.0001378400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0113602600000000 ] - [ 0.0000000000000000, -0.0000359100000000, -0.0027747100000000 ] - [ 0.0000311000000000, 0.0000179500000000, -0.0027747100000000 ] - [ -0.0000311000000000, 0.0000179500000000, -0.0027747100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012231600000000 ] - [ 0.0000000000000000, 0.0000606400000000, 0.0005343900000000 ] - [ -0.0000525200000000, -0.0000303200000000, 0.0005343900000000 ] - [ 0.0000525200000000, -0.0000303200000000, 0.0005343900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011700300000000 ] - [ 0.0000000000000000, -0.0000225600000000, 0.0004861500000000 ] - [ 0.0000195400000000, 0.0000112800000000, 0.0004861500000000 ] - [ -0.0000195400000000, 0.0000112800000000, 0.0004861500000000 ] - [ -0.0006664800000000, 0.0003847900000000, -0.0005150600000000 ] - [ 0.0006664800000000, 0.0003847900000000, -0.0005150600000000 ] - [ 0.0000000000000000, -0.0007695900000000, -0.0005150600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006428100000000 ] - [ -0.0000184000000000, 0.0000106200000000, -0.0000050400000000 ] - [ 0.0000184000000000, 0.0000106200000000, -0.0000050400000000 ] - [ 0.0000000000000000, -0.0000212400000000, -0.0000050400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000536600000000 ] - [ 0.0006081300000000, -0.0003511100000000, 0.0025382300000000 ] - [ -0.0006081300000000, -0.0003511100000000, 0.0025382300000000 ] - [ 0.0000000000000000, 0.0007022100000000, 0.0025382300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024343600000000 ] - [ 0.0028284000000000, 0.0016329800000000, -0.0021733000000000 ] - [ -0.0028284000000000, 0.0016329800000000, -0.0021733000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005160000000000 ] - [ 0.0000000000000000, -0.0032659600000000, -0.0021733000000000 ] - [ -0.0023365700000000, -0.0013490200000000, 0.0013185700000000 ] - [ 0.0023365700000000, -0.0013490200000000, 0.0013185700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001030700000000 ] - [ 0.0000000000000000, 0.0026980400000000, 0.0013185700000000 ] - [ 0.0002016700000000, 0.0001164300000000, 0.0010637900000000 ] - [ -0.0002016700000000, 0.0001164300000000, 0.0010637900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006261200000000 ] - [ 0.0000000000000000, -0.0002328700000000, 0.0010637900000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0006662200000000, -0.0005612200000000 ] - [ 0.0000000000000000, -0.0002257100000000, -0.0004047900000000 ] - [ 0.0001106600000000, -0.0006894500000000, -0.0006265800000000 ] - [ -0.0001106600000000, -0.0006894500000000, -0.0006265800000000 ] - [ 0.0000000000000000, -0.0000844700000000, -0.0000219700000000 ] - [ 0.0000000000000000, -0.0001356600000000, -0.0001881800000000 ] - [ -0.0000111100000000, -0.0000787400000000, -0.0001017700000000 ] - [ 0.0000111100000000, -0.0000787400000000, -0.0001017700000000 ] - [ 0.0000000000000000, -0.0015273600000000, -0.0020600600000000 ] - [ 0.0000000000000000, -0.0003387200000000, -0.0004615700000000 ] - [ -0.0001003400000000, 0.0000573200000000, -0.0003555900000000 ] - [ 0.0001003400000000, 0.0000573200000000, -0.0003555900000000 ] - [ -0.0005769700000000, -0.0003331100000000, -0.0005612200000000 ] - [ 0.0006524200000000, 0.0002488900000000, -0.0006265800000000 ] - [ 0.0001954700000000, 0.0001128500000000, -0.0004047900000000 ] - [ 0.0005417500000000, 0.0004405600000000, -0.0006265800000000 ] - [ 0.0000731500000000, 0.0000422300000000, -0.0000219700000000 ] - [ 0.0000626300000000, 0.0000489900000000, -0.0001017700000000 ] - [ 0.0001174800000000, 0.0000678300000000, -0.0001881800000000 ] - [ 0.0000737500000000, 0.0000297500000000, -0.0001017700000000 ] - [ 0.0013227300000000, 0.0007636800000000, -0.0020600600000000 ] - [ -0.0000998100000000, 0.0000582300000000, -0.0003555900000000 ] - [ 0.0002933400000000, 0.0001693600000000, -0.0004615700000000 ] - [ 0.0000005300000000, -0.0001155600000000, -0.0003555900000000 ] - [ 0.0005769700000000, -0.0003331100000000, -0.0005612200000000 ] - [ -0.0006524200000000, 0.0002488900000000, -0.0006265800000000 ] - [ -0.0005417500000000, 0.0004405600000000, -0.0006265800000000 ] - [ -0.0001954700000000, 0.0001128500000000, -0.0004047900000000 ] - [ -0.0000731500000000, 0.0000422300000000, -0.0000219700000000 ] - [ -0.0000626300000000, 0.0000489900000000, -0.0001017700000000 ] - [ -0.0000737500000000, 0.0000297500000000, -0.0001017700000000 ] - [ -0.0001174800000000, 0.0000678300000000, -0.0001881800000000 ] - [ -0.0013227300000000, 0.0007636800000000, -0.0020600600000000 ] - [ 0.0000998100000000, 0.0000582300000000, -0.0003555900000000 ] - [ -0.0000005300000000, -0.0001155600000000, -0.0003555900000000 ] - [ -0.0002933400000000, 0.0001693600000000, -0.0004615700000000 ] - [ 0.0002285200000000, -0.0002264500000000, -0.0006117000000000 ] - [ -0.0002285200000000, -0.0002264500000000, -0.0006117000000000 ] - [ 0.0000000000000000, 0.0001695500000000, 0.0001319300000000 ] - [ 0.0000000000000000, -0.0002456700000000, -0.0001165800000000 ] - [ -0.0002053900000000, 0.0004812200000000, 0.0007195600000000 ] - [ 0.0002053900000000, 0.0004812200000000, 0.0007195600000000 ] - [ 0.0000000000000000, 0.0001748300000000, 0.0004008600000000 ] - [ 0.0000000000000000, 0.0007218900000000, 0.0006881400000000 ] - [ 0.0001038300000000, 0.0004201800000000, 0.0006556800000000 ] - [ -0.0001038300000000, 0.0004201800000000, 0.0006556800000000 ] - [ 0.0000000000000000, 0.0003628100000000, 0.0004700400000000 ] - [ 0.0000000000000000, 0.0002699600000000, 0.0004658600000000 ] - [ 0.0003103700000000, -0.0000846800000000, -0.0006117000000000 ] - [ -0.0001468400000000, -0.0000847800000000, 0.0001319300000000 ] - [ 0.0000818500000000, 0.0003111300000000, -0.0006117000000000 ] - [ 0.0002127600000000, 0.0001228300000000, -0.0001165800000000 ] - [ -0.0005194400000000, -0.0000627300000000, 0.0007195600000000 ] - [ -0.0001514000000000, -0.0000874100000000, 0.0004008600000000 ] - [ -0.0003140500000000, -0.0004184800000000, 0.0007195600000000 ] - [ -0.0006251800000000, -0.0003609500000000, 0.0006881400000000 ] - [ -0.0003119700000000, -0.0003000100000000, 0.0006556800000000 ] - [ -0.0003142100000000, -0.0001814100000000, 0.0004700400000000 ] - [ -0.0004158000000000, -0.0001201700000000, 0.0006556800000000 ] - [ -0.0002337900000000, -0.0001349800000000, 0.0004658600000000 ] - [ 0.0001468400000000, -0.0000847800000000, 0.0001319300000000 ] - [ -0.0003103700000000, -0.0000846800000000, -0.0006117000000000 ] - [ -0.0000818500000000, 0.0003111300000000, -0.0006117000000000 ] - [ -0.0002127600000000, 0.0001228300000000, -0.0001165800000000 ] - [ 0.0001514000000000, -0.0000874100000000, 0.0004008600000000 ] - [ 0.0005194400000000, -0.0000627300000000, 0.0007195600000000 ] - [ 0.0003140500000000, -0.0004184800000000, 0.0007195600000000 ] - [ 0.0006251800000000, -0.0003609500000000, 0.0006881400000000 ] - [ 0.0003142100000000, -0.0001814100000000, 0.0004700400000000 ] - [ 0.0003119700000000, -0.0003000100000000, 0.0006556800000000 ] - [ 0.0004158000000000, -0.0001201700000000, 0.0006556800000000 ] - [ 0.0002337900000000, -0.0001349800000000, 0.0004658600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0080891800000000 ] - [ 0.0000000000000000, 0.0000357800000000, -0.0020378500000000 ] - [ -0.0000309900000000, -0.0000178900000000, -0.0020378500000000 ] - [ 0.0000309900000000, -0.0000178900000000, -0.0020378500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005345700000000 ] - [ 0.0000000000000000, -0.0000606000000000, 0.0001507900000000 ] - [ 0.0000524800000000, 0.0000303000000000, 0.0001507900000000 ] - [ -0.0000524800000000, 0.0000303000000000, 0.0001507900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005851800000000 ] - [ 0.0000000000000000, 0.0000230100000000, 0.0001033800000000 ] - [ -0.0000199300000000, -0.0000115100000000, 0.0001033800000000 ] - [ 0.0000199300000000, -0.0000115100000000, 0.0001033800000000 ] - [ 0.0006653400000000, -0.0003841300000000, -0.0001059000000000 ] - [ -0.0006653400000000, -0.0003841300000000, -0.0001059000000000 ] - [ 0.0000000000000000, 0.0007682700000000, -0.0001059000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000237800000000 ] - [ 0.0000183300000000, -0.0000105800000000, -0.0007095000000000 ] - [ -0.0000183300000000, -0.0000105800000000, -0.0007095000000000 ] - [ 0.0000000000000000, 0.0000211600000000, -0.0007095000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006613800000000 ] - [ -0.0006108300000000, 0.0003526600000000, 0.0022462200000000 ] - [ 0.0006108300000000, 0.0003526600000000, 0.0022462200000000 ] - [ 0.0000000000000000, -0.0007053300000000, 0.0022462200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023494700000000 ] - [ -0.0028303500000000, -0.0016341100000000, 0.0021818900000000 ] - [ 0.0028303500000000, -0.0016341100000000, 0.0021818900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005019200000000 ] - [ 0.0000000000000000, 0.0032682100000000, 0.0021818900000000 ] - [ 0.0023297800000000, 0.0013451000000000, -0.0013670900000000 ] - [ -0.0023297800000000, 0.0013451000000000, -0.0013670900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000534100000000 ] - [ 0.0000000000000000, -0.0026901900000000, -0.0013670900000000 ] - [ -0.0001998900000000, -0.0001154100000000, -0.0010407400000000 ] - [ 0.0001998900000000, -0.0001154100000000, -0.0010407400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006051600000000 ] - [ 0.0000000000000000, 0.0002308200000000, -0.0010407400000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000169300000000, -0.0009082000000000, -0.0008014800000000 ] - [ -0.0000176200000000, 0.0004450100000000, 0.0001797200000000 ] - [ -0.0005022700000000, -0.0002316700000000, -0.0003113100000000 ] - [ 0.0015103700000000, -0.0002313300000000, -0.0003135900000000 ] - [ 0.0000007800000000, -0.0005613900000000, -0.0003362800000000 ] - [ 0.0000009400000000, 0.0000737400000000, -0.0003860300000000 ] - [ -0.0001866600000000, -0.0002437500000000, -0.0003607300000000 ] - [ 0.0003625000000000, -0.0002438100000000, -0.0003613600000000 ] - [ -0.0005258000000000, -0.0029480700000000, -0.0012982200000000 ] - [ -0.0005248000000000, 0.0024767900000000, 0.0005817800000000 ] - [ -0.0010795000000000, -0.0002311100000000, -0.0003571200000000 ] - [ 0.0065552100000000, -0.0001144700000000, -0.0002728400000000 ] - [ 0.0017715100000000, 0.0001482400000000, -0.0020478200000000 ] - [ -0.0007022700000000, -0.0000625200000000, 0.0003813200000000 ] - [ 0.0001853600000000, 0.0003975500000000, -0.0004539100000000 ] - [ 0.0001709300000000, -0.0002238700000000, -0.0001076200000000 ] - [ 0.0006429800000000, 0.0001624600000000, -0.0003788000000000 ] - [ -0.0001635100000000, 0.0000112500000000, -0.0003590200000000 ] - [ 0.0002079500000000, 0.0002277900000000, -0.0003887700000000 ] - [ 0.0002032000000000, 0.0000110200000000, -0.0003346800000000 ] - [ 0.0363762000000000, 0.0173086800000000, -0.0243149700000000 ] - [ -0.0029360900000000, -0.0004246500000000, 0.0005960400000000 ] - [ 0.0001811800000000, 0.0007294700000000, -0.0004262700000000 ] - [ 0.0002458100000000, -0.0005253000000000, -0.0003432400000000 ] - [ -0.0011033000000000, 0.0002942400000000, -0.0010032700000000 ] - [ 0.0013692500000000, 0.0000789600000000, 0.0014277100000000 ] - [ -0.0002138300000000, -0.0001660000000000, -0.0001653400000000 ] - [ -0.0002280600000000, 0.0004548700000000, -0.0005109900000000 ] - [ -0.0005847500000000, 0.0002323900000000, -0.0003609700000000 ] - [ 0.0002215200000000, 0.0000818700000000, -0.0003422500000000 ] - [ -0.0002136900000000, 0.0000156100000000, -0.0003321700000000 ] - [ -0.0002179300000000, 0.0002323600000000, -0.0003863900000000 ] - [ -0.0033458700000000, 0.0006555700000000, -0.0013094900000000 ] - [ 0.0350014300000000, -0.0163360700000000, 0.0226319400000000 ] - [ -0.0002204700000000, -0.0004943800000000, -0.0002892700000000 ] - [ -0.0001496800000000, 0.0007528100000000, -0.0003688800000000 ] - [ 0.0065552100000000, 0.0001144700000000, 0.0002728400000000 ] - [ -0.0010795000000000, 0.0002311100000000, 0.0003571200000000 ] - [ -0.0005258000000000, 0.0029480700000000, 0.0012982200000000 ] - [ -0.0005248000000000, -0.0024767900000000, -0.0005817800000000 ] - [ 0.0003625000000000, 0.0002438100000000, 0.0003613600000000 ] - [ -0.0001866600000000, 0.0002437500000000, 0.0003607300000000 ] - [ 0.0000007800000000, 0.0005613900000000, 0.0003362800000000 ] - [ 0.0000009400000000, -0.0000737400000000, 0.0003860300000000 ] - [ 0.0015103700000000, 0.0002313300000000, 0.0003135900000000 ] - [ -0.0005022700000000, 0.0002316700000000, 0.0003113100000000 ] - [ -0.0000169300000000, 0.0009082000000000, 0.0008014800000000 ] - [ -0.0000176200000000, -0.0004450100000000, -0.0001797200000000 ] - [ -0.0001496800000000, -0.0007528100000000, 0.0003688800000000 ] - [ -0.0002204700000000, 0.0004943800000000, 0.0002892700000000 ] - [ -0.0033458700000000, -0.0006555700000000, 0.0013094900000000 ] - [ 0.0350014300000000, 0.0163360700000000, -0.0226319400000000 ] - [ -0.0002179300000000, -0.0002323600000000, 0.0003863900000000 ] - [ -0.0002136900000000, -0.0000156100000000, 0.0003321700000000 ] - [ -0.0005847500000000, -0.0002323900000000, 0.0003609700000000 ] - [ 0.0002215200000000, -0.0000818700000000, 0.0003422500000000 ] - [ -0.0002280600000000, -0.0004548700000000, 0.0005109900000000 ] - [ -0.0002138300000000, 0.0001660000000000, 0.0001653400000000 ] - [ -0.0011033000000000, -0.0002942400000000, 0.0010032700000000 ] - [ 0.0013692500000000, -0.0000789600000000, -0.0014277100000000 ] - [ 0.0002458100000000, 0.0005253000000000, 0.0003432400000000 ] - [ 0.0001811800000000, -0.0007294700000000, 0.0004262700000000 ] - [ 0.0363762000000000, -0.0173086800000000, 0.0243149700000000 ] - [ -0.0029360900000000, 0.0004246500000000, -0.0005960400000000 ] - [ 0.0002032000000000, -0.0000110200000000, 0.0003346800000000 ] - [ 0.0002079500000000, -0.0002277900000000, 0.0003887700000000 ] - [ 0.0006429800000000, -0.0001624600000000, 0.0003788000000000 ] - [ -0.0001635100000000, -0.0000112500000000, 0.0003590200000000 ] - [ 0.0001709300000000, 0.0002238700000000, 0.0001076200000000 ] - [ 0.0001853600000000, -0.0003975500000000, 0.0004539100000000 ] - [ 0.0017715100000000, -0.0001482400000000, 0.0020478200000000 ] - [ -0.0007022700000000, 0.0000625200000000, -0.0003813200000000 ] - [ 0.0034860800000000, 0.0037829300000000, 0.0004393200000000 ] - [ 0.0034768800000000, -0.0037652600000000, -0.0052230100000000 ] - [ 0.0007448400000000, -0.0000034500000000, -0.0023986200000000 ] - [ -0.0030553700000000, 0.0000037500000000, -0.0024043700000000 ] - [ 0.0000606800000000, 0.0001077000000000, 0.0005496200000000 ] - [ 0.0000617400000000, -0.0001101400000000, 0.0001495600000000 ] - [ 0.0001308000000000, -0.0000017800000000, 0.0003494700000000 ] - [ -0.0001274400000000, -0.0000013800000000, 0.0003497000000000 ] - [ 0.0012317600000000, 0.0009012900000000, -0.0020297200000000 ] - [ 0.0012333300000000, -0.0009026600000000, 0.0026310000000000 ] - [ 0.0002639200000000, -0.0000023200000000, 0.0003008600000000 ] - [ -0.0003297100000000, 0.0000014000000000, 0.0003054200000000 ] - [ -0.0003297100000000, -0.0000014000000000, -0.0003054200000000 ] - [ 0.0002639200000000, 0.0000023200000000, -0.0003008600000000 ] - [ 0.0012317600000000, -0.0009012900000000, 0.0020297200000000 ] - [ 0.0012333300000000, 0.0009026600000000, -0.0026310000000000 ] - [ -0.0001274400000000, 0.0000013800000000, -0.0003497000000000 ] - [ 0.0001308000000000, 0.0000017800000000, -0.0003494700000000 ] - [ 0.0000606800000000, -0.0001077000000000, -0.0005496200000000 ] - [ 0.0000617400000000, 0.0001101400000000, -0.0001495600000000 ] - [ -0.0030553700000000, -0.0000037500000000, 0.0024043700000000 ] - [ 0.0007448400000000, 0.0000034500000000, 0.0023986200000000 ] - [ 0.0034860800000000, -0.0037829300000000, -0.0004393200000000 ] - [ 0.0034768800000000, 0.0037652600000000, 0.0052230100000000 ] - [ -0.1636869500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0089634000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000416700000000, -0.0051990900000000, -0.0017436600000000 ] - [ -0.0000416700000000, 0.0051990900000000, 0.0017436600000000 ] - [ -0.0040420600000000, 0.0000026700000000, -0.0000216800000000 ] - [ 0.0020656300000000, -0.0000009100000000, -0.0000169600000000 ] - [ 0.0000644800000000, -0.0011556500000000, -0.0000463900000000 ] - [ 0.0000637900000000, 0.0011554900000000, 0.0000095300000000 ] - [ -0.0040420600000000, -0.0000026700000000, 0.0000216800000000 ] - [ 0.0020656300000000, 0.0000009100000000, 0.0000169600000000 ] - [ 0.0000637900000000, -0.0011554900000000, -0.0000095300000000 ] - [ 0.0000644800000000, 0.0011556500000000, 0.0000463900000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002338600000000, -0.0006412000000000, -0.0006143700000000 ] - [ 0.0002338600000000, -0.0006412000000000, -0.0006143700000000 ] - [ 0.0000000000000000, -0.0003392700000000, -0.0004955700000000 ] - [ 0.0000000000000000, -0.0004306500000000, -0.0022803300000000 ] - [ 0.0000392600000000, -0.0003460200000000, -0.0008677800000000 ] - [ -0.0000392600000000, -0.0003460200000000, -0.0008677800000000 ] - [ 0.0000000000000000, -0.0005676800000000, -0.0008396800000000 ] - [ 0.0000000000000000, -0.0013303900000000, -0.0018105500000000 ] - [ 0.0003448400000000, 0.0014402400000000, 0.0009709100000000 ] - [ -0.0003448400000000, 0.0014402400000000, 0.0009709100000000 ] - [ 0.0000000000000000, 0.0000237700000000, 0.0003179200000000 ] - [ 0.0000000000000000, 0.0270686000000000, 0.0233965700000000 ] - [ 0.0003729600000000, 0.0002153300000000, -0.0022803300000000 ] - [ 0.0006722300000000, 0.0001180800000000, -0.0006143700000000 ] - [ 0.0002938200000000, 0.0001696400000000, -0.0004955700000000 ] - [ 0.0004383700000000, 0.0005231300000000, -0.0006143700000000 ] - [ 0.0011521500000000, 0.0006651900000000, -0.0018105500000000 ] - [ 0.0002800300000000, 0.0002070100000000, -0.0008677800000000 ] - [ 0.0004916300000000, 0.0002838400000000, -0.0008396800000000 ] - [ 0.0003192900000000, 0.0001390100000000, -0.0008677800000000 ] - [ -0.0234421000000000, -0.0135343000000000, 0.0233965700000000 ] - [ -0.0014197000000000, -0.0004214700000000, 0.0009709100000000 ] - [ -0.0000205900000000, -0.0000118900000000, 0.0003179200000000 ] - [ -0.0010748600000000, -0.0010187600000000, 0.0009709100000000 ] - [ -0.0006722300000000, 0.0001180800000000, -0.0006143700000000 ] - [ -0.0003729600000000, 0.0002153300000000, -0.0022803300000000 ] - [ -0.0002938200000000, 0.0001696400000000, -0.0004955700000000 ] - [ -0.0004383700000000, 0.0005231300000000, -0.0006143700000000 ] - [ -0.0002800300000000, 0.0002070100000000, -0.0008677800000000 ] - [ -0.0011521500000000, 0.0006651900000000, -0.0018105500000000 ] - [ -0.0004916300000000, 0.0002838400000000, -0.0008396800000000 ] - [ -0.0003192900000000, 0.0001390100000000, -0.0008677800000000 ] - [ 0.0014197000000000, -0.0004214700000000, 0.0009709100000000 ] - [ 0.0234421000000000, -0.0135343000000000, 0.0233965700000000 ] - [ 0.0000205900000000, -0.0000118900000000, 0.0003179200000000 ] - [ 0.0010748600000000, -0.0010187600000000, 0.0009709100000000 ] - [ 0.0000000000000000, 0.0282838400000000, 0.0243250700000000 ] - [ 0.0000000000000000, 0.0004827300000000, 0.0010295100000000 ] - [ -0.0003443400000000, 0.0018977600000000, 0.0016828700000000 ] - [ 0.0003443400000000, 0.0018977600000000, 0.0016828700000000 ] - [ 0.0000000000000000, -0.0008539300000000, -0.0010959000000000 ] - [ 0.0000000000000000, -0.0000873900000000, -0.0001219100000000 ] - [ -0.0000399200000000, 0.0001368300000000, -0.0001499600000000 ] - [ 0.0000399200000000, 0.0001368300000000, -0.0001499600000000 ] - [ 0.0000000000000000, 0.0000180300000000, -0.0016573200000000 ] - [ 0.0000000000000000, 0.0001152400000000, 0.0001182900000000 ] - [ 0.0002322900000000, -0.0001850200000000, -0.0000004800000000 ] - [ -0.0002322900000000, -0.0001850200000000, -0.0000004800000000 ] - [ -0.0014713400000000, -0.0012470900000000, 0.0016828700000000 ] - [ -0.0004180500000000, -0.0002413600000000, 0.0010295100000000 ] - [ -0.0018156800000000, -0.0006506700000000, 0.0016828700000000 ] - [ -0.0244945200000000, -0.0141419200000000, 0.0243250700000000 ] - [ -0.0000985400000000, -0.0001029900000000, -0.0001499600000000 ] - [ 0.0000756800000000, 0.0000437000000000, -0.0001219100000000 ] - [ -0.0001384600000000, -0.0000338400000000, -0.0001499600000000 ] - [ 0.0007395200000000, 0.0004269600000000, -0.0010959000000000 ] - [ 0.0000440900000000, 0.0002936800000000, -0.0000004800000000 ] - [ -0.0000998000000000, -0.0000576200000000, 0.0001182900000000 ] - [ 0.0002763800000000, -0.0001086500000000, -0.0000004800000000 ] - [ -0.0000156100000000, -0.0000090100000000, -0.0016573200000000 ] - [ 0.0014713400000000, -0.0012470900000000, 0.0016828700000000 ] - [ 0.0004180500000000, -0.0002413600000000, 0.0010295100000000 ] - [ 0.0244945200000000, -0.0141419200000000, 0.0243250700000000 ] - [ 0.0018156800000000, -0.0006506700000000, 0.0016828700000000 ] - [ 0.0000985400000000, -0.0001029900000000, -0.0001499600000000 ] - [ -0.0000756800000000, 0.0000437000000000, -0.0001219100000000 ] - [ -0.0007395200000000, 0.0004269600000000, -0.0010959000000000 ] - [ 0.0001384600000000, -0.0000338400000000, -0.0001499600000000 ] - [ -0.0000440900000000, 0.0002936800000000, -0.0000004800000000 ] - [ 0.0000998000000000, -0.0000576200000000, 0.0001182900000000 ] - [ 0.0000156100000000, -0.0000090100000000, -0.0016573200000000 ] - [ -0.0002763800000000, -0.0001086500000000, -0.0000004800000000 ] - [ 0.0025372500000000, 0.0014648800000000, -0.0045866300000000 ] - [ -0.0025372500000000, 0.0014648800000000, -0.0045866300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029106200000000 ] - [ 0.0000000000000000, -0.0029297600000000, -0.0045866300000000 ] - [ 0.0002754400000000, 0.0001590200000000, 0.0014000700000000 ] - [ -0.0002754400000000, 0.0001590200000000, 0.0014000700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009619000000000 ] - [ 0.0000000000000000, -0.0003180500000000, 0.0014000700000000 ] - [ -0.0013605200000000, -0.0007855000000000, 0.0016426900000000 ] - [ 0.0013605200000000, -0.0007855000000000, 0.0016426900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002214300000000 ] - [ 0.0000000000000000, 0.0015710000000000, 0.0016426900000000 ] - [ 0.0000000000000000, 0.0015741400000000, 0.0010342600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003841800000000 ] - [ 0.0013632500000000, -0.0007870700000000, 0.0010342600000000 ] - [ -0.0013632500000000, -0.0007870700000000, 0.0010342600000000 ] - [ 0.0000000000000000, -0.0003160200000000, 0.0006996600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002631800000000 ] - [ -0.0002736800000000, 0.0001580100000000, 0.0006996600000000 ] - [ 0.0002736800000000, 0.0001580100000000, 0.0006996600000000 ] - [ 0.0000000000000000, -0.0029326600000000, 0.0002218000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018885400000000 ] - [ -0.0025397500000000, 0.0014663300000000, 0.0002218000000000 ] - [ 0.0025397500000000, 0.0014663300000000, 0.0002218000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1380432100000000 ] - [ 0.0000000000000000, 0.0020123800000000, -0.0047828800000000 ] - [ -0.0017427700000000, -0.0010061900000000, -0.0047828800000000 ] - [ 0.0017427700000000, -0.0010061900000000, -0.0047828800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0070411300000000 ] - [ 0.0000000000000000, 0.0000328400000000, 0.0013521100000000 ] - [ -0.0000284400000000, -0.0000164200000000, 0.0013521100000000 ] - [ 0.0000284400000000, -0.0000164200000000, 0.0013521100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0070533700000000 ] - [ 0.0000000000000000, 0.0000325900000000, 0.0013932600000000 ] - [ -0.0000282200000000, -0.0000163000000000, 0.0013932600000000 ] - [ 0.0000282200000000, -0.0000163000000000, 0.0013932600000000 ]