# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/4d875b74-19c8-492d-8c47-ec5ac0af6a12/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 Sm2SeO2 / P-3m1 (164) / materials id 13972](https://mdr.nims.go.jp/datasets/883bc398-91c0-45c5-b57c-ac7e2db33b25) ## 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:- [ 3, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 3.902603970000000, 0.000000000000000, 0.000000000000000 ] # a - [ -1.951301990000000, 3.379754170000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.886333830000000 ] # c points: - symbol: O # 1 coordinates: [ 0.333333330000000, 0.666666670000000, 0.625936830000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.374063170000000 ] mass: 15.999400 - symbol: Se # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 78.960000 - symbol: Sm # 4 coordinates: [ 0.333333330000000, 0.666666670000000, 0.288998440000000 ] mass: 150.360000 - symbol: Sm # 5 coordinates: [ 0.666666670000000, 0.333333330000000, 0.711001560000000 ] mass: 150.360000 reciprocal_lattice: # without 2pi - [ 0.256239169458950, 0.147939754234018, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.295879507709876, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.145215149989323 ] # c*unit_cell: lattice: - [ 3.902603970000000, 0.000000000000000, 0.000000000000000 ] # a - [ -1.951301990000000, 3.379754170000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.886333830000000 ] # c points: - symbol: O # 1 coordinates: [ 0.333333330000000, 0.666666670000000, 0.625936830000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.374063170000000 ] mass: 15.999400 reduced_to: 2 - symbol: Se # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 3 - symbol: Sm # 4 coordinates: [ 0.333333330000000, 0.666666670000000, 0.288998440000000 ] mass: 150.360000 reduced_to: 4 - symbol: Sm # 5 coordinates: [ 0.666666670000000, 0.333333330000000, 0.711001560000000 ] mass: 150.360000 reduced_to: 5supercell: lattice: - [ 11.707811910000000, 0.000000000000000, 0.000000000000000 ] # a - [ -5.853905970000000, 10.139262510000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.772667660000000 ] # c points: - symbol: O # 1 coordinates: [ 0.111111110000000, 0.222222223333333, 0.312968415000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.444444443333333, 0.222222223333333, 0.312968415000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.777777776666667, 0.222222223333333, 0.312968415000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 4 coordinates: [ 0.111111110000000, 0.555555556666667, 0.312968415000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 5 coordinates: [ 0.444444443333333, 0.555555556666667, 0.312968415000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 6 coordinates: [ 0.777777776666667, 0.555555556666667, 0.312968415000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 7 coordinates: [ 0.111111110000000, 0.888888890000000, 0.312968415000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 8 coordinates: [ 0.444444443333333, 0.888888890000000, 0.312968415000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 9 coordinates: [ 0.777777776666667, 0.888888890000000, 0.312968415000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 10 coordinates: [ 0.111111110000000, 0.222222223333333, 0.812968415000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 11 coordinates: [ 0.444444443333333, 0.222222223333333, 0.812968415000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 12 coordinates: [ 0.777777776666667, 0.222222223333333, 0.812968415000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 13 coordinates: [ 0.111111110000000, 0.555555556666667, 0.812968415000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 14 coordinates: [ 0.444444443333333, 0.555555556666667, 0.812968415000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 15 coordinates: [ 0.777777776666667, 0.555555556666667, 0.812968415000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 16 coordinates: [ 0.111111110000000, 0.888888890000000, 0.812968415000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 17 coordinates: [ 0.444444443333333, 0.888888890000000, 0.812968415000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 18 coordinates: [ 0.777777776666667, 0.888888890000000, 0.812968415000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 19 coordinates: [ 0.222222223333333, 0.111111110000000, 0.187031585000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.555555556666667, 0.111111110000000, 0.187031585000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 21 coordinates: [ 0.888888890000000, 0.111111110000000, 0.187031585000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 22 coordinates: [ 0.222222223333333, 0.444444443333333, 0.187031585000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 23 coordinates: [ 0.555555556666667, 0.444444443333333, 0.187031585000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 24 coordinates: [ 0.888888890000000, 0.444444443333333, 0.187031585000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 25 coordinates: [ 0.222222223333333, 0.777777776666667, 0.187031585000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 26 coordinates: [ 0.555555556666667, 0.777777776666667, 0.187031585000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 27 coordinates: [ 0.888888890000000, 0.777777776666667, 0.187031585000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 28 coordinates: [ 0.222222223333333, 0.111111110000000, 0.687031585000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 29 coordinates: [ 0.555555556666667, 0.111111110000000, 0.687031585000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 30 coordinates: [ 0.888888890000000, 0.111111110000000, 0.687031585000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 31 coordinates: [ 0.222222223333333, 0.444444443333333, 0.687031585000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 32 coordinates: [ 0.555555556666667, 0.444444443333333, 0.687031585000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 33 coordinates: [ 0.888888890000000, 0.444444443333333, 0.687031585000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 34 coordinates: [ 0.222222223333333, 0.777777776666667, 0.687031585000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 35 coordinates: [ 0.555555556666667, 0.777777776666667, 0.687031585000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 36 coordinates: [ 0.888888890000000, 0.777777776666667, 0.687031585000000 ] mass: 15.999400 reduced_to: 19 - symbol: Se # 37 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 38 coordinates: [ 0.333333333333333, 0.000000000000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 39 coordinates: [ 0.666666666666667, 0.000000000000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 40 coordinates: [ 0.000000000000000, 0.333333333333333, 0.000000000000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 41 coordinates: [ 0.333333333333333, 0.333333333333333, 0.000000000000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 42 coordinates: [ 0.666666666666667, 0.333333333333333, 0.000000000000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 43 coordinates: [ 0.000000000000000, 0.666666666666667, 0.000000000000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 44 coordinates: [ 0.333333333333333, 0.666666666666667, 0.000000000000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 45 coordinates: [ 0.666666666666667, 0.666666666666667, 0.000000000000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 46 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 47 coordinates: [ 0.333333333333333, 0.000000000000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 48 coordinates: [ 0.666666666666667, 0.000000000000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 49 coordinates: [ 0.000000000000000, 0.333333333333333, 0.500000000000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 50 coordinates: [ 0.333333333333333, 0.333333333333333, 0.500000000000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 51 coordinates: [ 0.666666666666667, 0.333333333333333, 0.500000000000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 52 coordinates: [ 0.000000000000000, 0.666666666666667, 0.500000000000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 53 coordinates: [ 0.333333333333333, 0.666666666666667, 0.500000000000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 54 coordinates: [ 0.666666666666667, 0.666666666666667, 0.500000000000000 ] mass: 78.960000 reduced_to: 37 - symbol: Sm # 55 coordinates: [ 0.111111110000000, 0.222222223333333, 0.144499220000000 ] mass: 150.360000 reduced_to: 55 - symbol: Sm # 56 coordinates: [ 0.444444443333333, 0.222222223333333, 0.144499220000000 ] mass: 150.360000 reduced_to: 55 - symbol: Sm # 57 coordinates: [ 0.777777776666667, 0.222222223333333, 0.144499220000000 ] mass: 150.360000 reduced_to: 55 - symbol: Sm # 58 coordinates: [ 0.111111110000000, 0.555555556666667, 0.144499220000000 ] mass: 150.360000 reduced_to: 55 - symbol: Sm # 59 coordinates: [ 0.444444443333333, 0.555555556666667, 0.144499220000000 ] mass: 150.360000 reduced_to: 55 - symbol: Sm # 60 coordinates: [ 0.777777776666667, 0.555555556666667, 0.144499220000000 ] mass: 150.360000 reduced_to: 55 - symbol: Sm # 61 coordinates: [ 0.111111110000000, 0.888888890000000, 0.144499220000000 ] mass: 150.360000 reduced_to: 55 - symbol: Sm # 62 coordinates: [ 0.444444443333333, 0.888888890000000, 0.144499220000000 ] mass: 150.360000 reduced_to: 55 - symbol: Sm # 63 coordinates: [ 0.777777776666667, 0.888888890000000, 0.144499220000000 ] mass: 150.360000 reduced_to: 55 - symbol: Sm # 64 coordinates: [ 0.111111110000000, 0.222222223333333, 0.644499220000000 ] mass: 150.360000 reduced_to: 55 - symbol: Sm # 65 coordinates: [ 0.444444443333333, 0.222222223333333, 0.644499220000000 ] mass: 150.360000 reduced_to: 55 - symbol: Sm # 66 coordinates: [ 0.777777776666667, 0.222222223333333, 0.644499220000000 ] mass: 150.360000 reduced_to: 55 - symbol: Sm # 67 coordinates: [ 0.111111110000000, 0.555555556666667, 0.644499220000000 ] mass: 150.360000 reduced_to: 55 - symbol: Sm # 68 coordinates: [ 0.444444443333333, 0.555555556666667, 0.644499220000000 ] mass: 150.360000 reduced_to: 55 - symbol: Sm # 69 coordinates: [ 0.777777776666667, 0.555555556666667, 0.644499220000000 ] mass: 150.360000 reduced_to: 55 - symbol: Sm # 70 coordinates: [ 0.111111110000000, 0.888888890000000, 0.644499220000000 ] mass: 150.360000 reduced_to: 55 - symbol: Sm # 71 coordinates: [ 0.444444443333333, 0.888888890000000, 0.644499220000000 ] mass: 150.360000 reduced_to: 55 - symbol: Sm # 72 coordinates: [ 0.777777776666667, 0.888888890000000, 0.644499220000000 ] mass: 150.360000 reduced_to: 55 - symbol: Sm # 73 coordinates: [ 0.222222223333333, 0.111111110000000, 0.355500780000000 ] mass: 150.360000 reduced_to: 73 - symbol: Sm # 74 coordinates: [ 0.555555556666667, 0.111111110000000, 0.355500780000000 ] mass: 150.360000 reduced_to: 73 - symbol: Sm # 75 coordinates: [ 0.888888890000000, 0.111111110000000, 0.355500780000000 ] mass: 150.360000 reduced_to: 73 - symbol: Sm # 76 coordinates: [ 0.222222223333333, 0.444444443333333, 0.355500780000000 ] mass: 150.360000 reduced_to: 73 - symbol: Sm # 77 coordinates: [ 0.555555556666667, 0.444444443333333, 0.355500780000000 ] mass: 150.360000 reduced_to: 73 - symbol: Sm # 78 coordinates: [ 0.888888890000000, 0.444444443333333, 0.355500780000000 ] mass: 150.360000 reduced_to: 73 - symbol: Sm # 79 coordinates: [ 0.222222223333333, 0.777777776666667, 0.355500780000000 ] mass: 150.360000 reduced_to: 73 - symbol: Sm # 80 coordinates: [ 0.555555556666667, 0.777777776666667, 0.355500780000000 ] mass: 150.360000 reduced_to: 73 - symbol: Sm # 81 coordinates: [ 0.888888890000000, 0.777777776666667, 0.355500780000000 ] mass: 150.360000 reduced_to: 73 - symbol: Sm # 82 coordinates: [ 0.222222223333333, 0.111111110000000, 0.855500780000000 ] mass: 150.360000 reduced_to: 73 - symbol: Sm # 83 coordinates: [ 0.555555556666667, 0.111111110000000, 0.855500780000000 ] mass: 150.360000 reduced_to: 73 - symbol: Sm # 84 coordinates: [ 0.888888890000000, 0.111111110000000, 0.855500780000000 ] mass: 150.360000 reduced_to: 73 - symbol: Sm # 85 coordinates: [ 0.222222223333333, 0.444444443333333, 0.855500780000000 ] mass: 150.360000 reduced_to: 73 - symbol: Sm # 86 coordinates: [ 0.555555556666667, 0.444444443333333, 0.855500780000000 ] mass: 150.360000 reduced_to: 73 - symbol: Sm # 87 coordinates: [ 0.888888890000000, 0.444444443333333, 0.855500780000000 ] mass: 150.360000 reduced_to: 73 - symbol: Sm # 88 coordinates: [ 0.222222223333333, 0.777777776666667, 0.855500780000000 ] mass: 150.360000 reduced_to: 73 - symbol: Sm # 89 coordinates: [ 0.555555556666667, 0.777777776666667, 0.855500780000000 ] mass: 150.360000 reduced_to: 73 - symbol: Sm # 90 coordinates: [ 0.888888890000000, 0.777777776666667, 0.855500780000000 ] mass: 150.360000 reduced_to: 73born_effective_charge:- # 1 (O) - [ -2.743554300000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -2.743554300000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.970188130000000 ]- # 2 (O) - [ -2.743554300000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -2.743554300000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.970188130000000 ]- # 3 (Se) - [ -2.116180160000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -2.116180160000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.335464250000000 ]- # 4 (Sm) - [ 3.801644380000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 3.801644380000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.137920260000000 ]- # 5 (Sm) - [ 3.801644380000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 3.801644380000001, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.137920260000000 ]dielectric_constant: - [ 5.831429910000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 5.831429910000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 5.744758150000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0914453900000000, 0.0011219100000000, -0.0012825800000000 ] - [ 0.0069971900000000, 0.0028560800000000, -0.0018970400000000 ] - [ 0.0069411400000000, -0.0028260300000000, 0.0001997400000000 ] - [ -0.0011483700000000, -0.0018640000000000, -0.0009772400000000 ] - [ -0.0011931700000000, 0.0018526100000000, -0.0007009200000000 ] - [ 0.0011248900000000, -0.0000016200000000, -0.0008408700000000 ] - [ -0.0011814400000000, -0.0075788800000000, -0.0020418500000000 ] - [ 0.0011254100000000, -0.0000056700000000, -0.0008427400000000 ] - [ -0.0011606800000000, 0.0075015700000000, 0.0003307300000000 ] - [ -0.0002694400000000, 0.0000007100000000, -0.0008360900000000 ] - [ 0.0001863700000000, -0.0000040000000000, -0.0004546800000000 ] - [ 0.0001916900000000, 0.0000066900000000, -0.0012174500000000 ] - [ -0.0001000000000000, -0.0001749400000000, -0.0011900700000000 ] - [ -0.0001015000000000, 0.0001702100000000, -0.0004831500000000 ] - [ 0.0001841000000000, 0.0000001600000000, -0.0008376300000000 ] - [ -0.0001023400000000, -0.0001617200000000, -0.0008092600000000 ] - [ 0.0001840000000000, -0.0000015900000000, -0.0008351300000000 ] - [ -0.0000990000000000, 0.0001622100000000, -0.0008644500000000 ] - [ 0.0080622300000000, -0.0073246200000000, -0.0126827700000000 ] - [ 0.0023231200000000, -0.0000018600000000, 0.0008328100000000 ] - [ 0.0080566200000000, 0.0072508800000000, 0.0141913200000000 ] - [ -0.0045629500000000, -0.0000617300000000, 0.0008770400000000 ] - [ 0.0002556500000000, 0.0015584500000000, 0.0002880800000000 ] - [ 0.0002630000000000, -0.0015455400000000, 0.0013828100000000 ] - [ 0.0011229900000000, -0.0007008300000000, 0.0005645400000000 ] - [ 0.0011180000000000, 0.0006880600000000, 0.0011067900000000 ] - [ -0.0024290200000000, -0.0000008300000000, 0.0008336300000000 ] - [ -0.0006070700000000, -0.0003355800000000, 0.0012936400000000 ] - [ 0.0018707200000000, 0.0000030900000000, 0.0008436000000000 ] - [ -0.0006023000000000, 0.0003362000000000, 0.0003897800000000 ] - [ -0.0011863900000000, 0.0000010400000000, 0.0008417000000000 ] - [ 0.0009083900000000, 0.0007159900000000, 0.0016165300000000 ] - [ 0.0009095300000000, -0.0007126700000000, 0.0000665300000000 ] - [ 0.0003132700000000, -0.0009005200000000, 0.0010066400000000 ] - [ 0.0003196600000000, 0.0008940500000000, 0.0006764700000000 ] - [ -0.0003281800000000, 0.0000027100000000, 0.0008390500000000 ] - [ -0.0007619900000000, 0.0000130600000000, 0.0000064900000000 ] - [ 0.0004989700000000, -0.0002527400000000, -0.0007898500000000 ] - [ 0.0004990600000000, 0.0002521500000000, 0.0007846600000000 ] - [ -0.0006764000000000, -0.0000463700000000, 0.0000875500000000 ] - [ -0.0007010200000000, 0.0000383500000000, -0.0000706600000000 ] - [ 0.0006305200000000, 0.0000010000000000, -0.0000017000000000 ] - [ -0.0000346300000000, -0.0003859900000000, -0.0004173500000000 ] - [ 0.0000618500000000, -0.0000032300000000, 0.0000023100000000 ] - [ -0.0000367700000000, 0.0003832500000000, 0.0004164900000000 ] - [ -0.0032024000000000, 0.0000132500000000, -0.0000179100000000 ] - [ 0.0034879500000000, -0.0019710000000000, 0.0044320400000000 ] - [ 0.0034587400000000, 0.0019534100000000, -0.0043851400000000 ] - [ 0.0014826200000000, -0.0026905900000000, -0.0060182500000000 ] - [ 0.0014658100000000, 0.0027096400000000, 0.0060398700000000 ] - [ 0.0010196700000000, 0.0000023700000000, 0.0000023200000000 ] - [ -0.0000027700000000, -0.0005912700000000, 0.0000076600000000 ] - [ 0.0000747300000000, -0.0000146600000000, -0.0000150800000000 ] - [ -0.0000037300000000, 0.0005898700000000, -0.0000037800000000 ] - [ 0.0169683200000000, -0.0000195900000000, -0.0139358600000000 ] - [ -0.0041810900000000, -0.0017989000000000, -0.0108510700000000 ] - [ -0.0041768000000000, 0.0017862600000000, -0.0169717700000000 ] - [ 0.0001776900000000, 0.0014046900000000, -0.0144724900000000 ] - [ 0.0002142800000000, -0.0013863000000000, -0.0133880000000000 ] - [ -0.0006439800000000, 0.0000011400000000, -0.0139247800000000 ] - [ 0.0007734000000000, 0.0039886700000000, -0.0114011000000000 ] - [ -0.0013310600000000, 0.0000047500000000, -0.0139239000000000 ] - [ 0.0007656200000000, -0.0039858400000000, -0.0164358200000000 ] - [ 0.0028370300000000, 0.0000037900000000, -0.0139290700000000 ] - [ -0.0017143100000000, 0.0001382400000000, -0.0156830700000000 ] - [ -0.0017191400000000, -0.0001511500000000, -0.0121830100000000 ] - [ 0.0004181100000000, 0.0019711700000000, -0.0126450000000000 ] - [ 0.0004222300000000, -0.0019718600000000, -0.0152128800000000 ] - [ -0.0007425400000000, -0.0000015400000000, -0.0139330300000000 ] - [ 0.0009455800000000, 0.0007926300000000, -0.0143982900000000 ] - [ -0.0021595400000000, 0.0000095300000000, -0.0139363600000000 ] - [ 0.0009220500000000, -0.0007923300000000, -0.0134665400000000 ] - [ 0.0236095100000000, -0.0061824700000000, 0.0167376700000000 ] - [ -0.0053992000000000, 0.0000043500000000, 0.0139289700000000 ] - [ 0.0220724600000000, 0.0052458400000000, 0.0116700400000000 ] - [ 0.0129465000000000, 0.0000157400000000, 0.0139554400000000 ] - [ -0.0021649100000000, -0.0033115700000000, 0.0135626000000000 ] - [ -0.0021650600000000, 0.0032772400000000, 0.0142877900000000 ] - [ -0.0017522100000000, 0.0021260500000000, 0.0138432200000000 ] - [ -0.0017368400000000, -0.0020926300000000, 0.0140170600000000 ] - [ 0.0035398700000000, 0.0000021500000000, 0.0139221100000000 ] - [ 0.0003556100000000, 0.0000307100000000, 0.0138573000000000 ] - [ -0.0007629900000000, -0.0000009700000000, 0.0139273800000000 ] - [ 0.0003488700000000, -0.0000349300000000, 0.0139901300000000 ] - [ 0.0004095900000000, 0.0000024100000000, 0.0139225100000000 ] - [ -0.0001499600000000, -0.0002511400000000, 0.0134184300000000 ] - [ -0.0001555100000000, 0.0002527500000000, 0.0144282300000000 ] - [ -0.0001282700000000, 0.0003689100000000, 0.0143044300000000 ] - [ -0.0001284200000000, -0.0003644800000000, 0.0135473700000000 ] - [ 0.0002841500000000, -0.0000018000000000, 0.0139241700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0953381400000000 ] - [ 0.0010359000000000, 0.0007609700000000, -0.0037040200000000 ] - [ -0.0010359000000000, 0.0007609700000000, -0.0037040200000000 ] - [ -0.0011769700000000, 0.0005166300000000, -0.0037040200000000 ] - [ 0.0011769700000000, 0.0005166300000000, -0.0037040200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021268300000000 ] - [ -0.0001410700000000, -0.0012776000000000, -0.0037040200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021238200000000 ] - [ 0.0001410700000000, -0.0012776000000000, -0.0037040200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015605100000000 ] - [ -0.0003776000000000, 0.0001858000000000, 0.0008721700000000 ] - [ 0.0003776000000000, 0.0001858000000000, 0.0008721700000000 ] - [ 0.0000278900000000, -0.0004199200000000, 0.0008721700000000 ] - [ -0.0000278900000000, -0.0004199200000000, 0.0008721700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005210800000000 ] - [ -0.0003497100000000, 0.0002341200000000, 0.0008721700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005188600000000 ] - [ 0.0003497100000000, 0.0002341200000000, 0.0008721700000000 ] - [ -0.0133712500000000, 0.0077198900000000, 0.0020164800000000 ] - [ 0.0000000000000000, 0.0003117600000000, -0.0004629400000000 ] - [ 0.0133712500000000, 0.0077198900000000, 0.0020164800000000 ] - [ 0.0000000000000000, -0.0154397900000000, 0.0020164800000000 ] - [ -0.0005471900000000, -0.0003159200000000, -0.0008091200000000 ] - [ 0.0005471900000000, -0.0003159200000000, -0.0008091200000000 ] - [ -0.0002700000000000, -0.0001558800000000, -0.0004629400000000 ] - [ 0.0002700000000000, -0.0001558800000000, -0.0004629400000000 ] - [ 0.0000000000000000, 0.0006318400000000, -0.0008091200000000 ] - [ 0.0004524000000000, -0.0002611900000000, 0.0027404400000000 ] - [ 0.0000000000000000, -0.0001948100000000, 0.0021014000000000 ] - [ -0.0004524000000000, -0.0002611900000000, 0.0027404400000000 ] - [ 0.0000000000000000, 0.0005223900000000, 0.0027404400000000 ] - [ 0.0007747500000000, 0.0004473000000000, 0.0029104500000000 ] - [ -0.0007747500000000, 0.0004473000000000, 0.0029104500000000 ] - [ 0.0001687100000000, 0.0000974000000000, 0.0021014000000000 ] - [ -0.0001687100000000, 0.0000974000000000, 0.0021014000000000 ] - [ 0.0000000000000000, -0.0008946100000000, 0.0029104500000000 ] - [ 0.0000000000000000, 0.0031044200000000, 0.0029422700000000 ] - [ -0.0003651900000000, 0.0002108400000000, 0.0006209900000000 ] - [ 0.0003651900000000, 0.0002108400000000, 0.0006209900000000 ] - [ 0.0026885000000000, -0.0015522100000000, 0.0029422700000000 ] - [ -0.0026885000000000, -0.0015522100000000, 0.0029422700000000 ] - [ 0.0000000000000000, -0.0001187500000000, 0.0005074600000000 ] - [ 0.0001028400000000, 0.0000593700000000, 0.0005074600000000 ] - [ 0.0000000000000000, -0.0004216800000000, 0.0006209900000000 ] - [ -0.0001028400000000, 0.0000593700000000, 0.0005074600000000 ] - [ 0.0000000000000000, -0.0041658300000000, 0.0046087700000000 ] - [ 0.0005685800000000, -0.0003282700000000, 0.0004573400000000 ] - [ -0.0005685800000000, -0.0003282700000000, 0.0004573400000000 ] - [ -0.0036077200000000, 0.0020829200000000, 0.0046087700000000 ] - [ 0.0036077200000000, 0.0020829200000000, 0.0046087700000000 ] - [ 0.0000000000000000, -0.0000052000000000, -0.0001630500000000 ] - [ 0.0000045000000000, 0.0000026000000000, -0.0001630500000000 ] - [ 0.0000000000000000, 0.0006565500000000, 0.0004573400000000 ] - [ -0.0000045000000000, 0.0000026000000000, -0.0001630500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0162108700000000 ] - [ 0.0032783000000000, 0.0012346700000000, -0.0126233400000000 ] - [ -0.0032783000000000, 0.0012346700000000, -0.0126233400000000 ] - [ -0.0027084100000000, 0.0022217500000000, -0.0126233400000000 ] - [ 0.0027084100000000, 0.0022217500000000, -0.0126233400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0127504700000000 ] - [ 0.0005698900000000, -0.0034564300000000, -0.0126233400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0128482000000000 ] - [ -0.0005698900000000, -0.0034564300000000, -0.0126233400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0178589500000000 ] - [ -0.0012148000000000, 0.0007316400000000, -0.0163407300000000 ] - [ 0.0012148000000000, 0.0007316400000000, -0.0163407300000000 ] - [ -0.0000262200000000, -0.0014178700000000, -0.0163407300000000 ] - [ 0.0000262200000000, -0.0014178700000000, -0.0163407300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0151565100000000 ] - [ -0.0012410200000000, 0.0006862300000000, -0.0163407300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0154283500000000 ] - [ 0.0012410200000000, 0.0006862300000000, -0.0163407300000000 ] - [ 0.0046731000000000, -0.0026980100000000, 0.0307764200000000 ] - [ 0.0000000000000000, 0.0002077900000000, 0.0157037200000000 ] - [ -0.0046731000000000, -0.0026980100000000, 0.0307764200000000 ] - [ 0.0000000000000000, 0.0053960300000000, 0.0307764200000000 ] - [ -0.0007227800000000, -0.0004173000000000, 0.0166805200000000 ] - [ 0.0007227800000000, -0.0004173000000000, 0.0166805200000000 ] - [ -0.0001799500000000, -0.0001038900000000, 0.0157037200000000 ] - [ 0.0001799500000000, -0.0001038900000000, 0.0157037200000000 ] - [ 0.0000000000000000, 0.0008345900000000, 0.0166805200000000 ] - [ 0.0005953300000000, -0.0003437100000000, 0.0109902600000000 ] - [ 0.0000000000000000, -0.0000467900000000, 0.0122164000000000 ] - [ -0.0005953300000000, -0.0003437100000000, 0.0109902600000000 ] - [ 0.0000000000000000, 0.0006874300000000, 0.0109902600000000 ] - [ 0.0006650400000000, 0.0003839600000000, 0.0113607000000000 ] - [ -0.0006650400000000, 0.0003839600000000, 0.0113607000000000 ] - [ 0.0000405200000000, 0.0000234000000000, 0.0122164000000000 ] - [ -0.0000405200000000, 0.0000234000000000, 0.0122164000000000 ] - [ 0.0000000000000000, -0.0007679300000000, 0.0113607000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0964754200000000 ] - [ -0.0010605600000000, -0.0007694900000000, 0.0020454900000000 ] - [ 0.0010605600000000, -0.0007694900000000, 0.0020454900000000 ] - [ 0.0011966800000000, -0.0005337300000000, 0.0020454900000000 ] - [ -0.0011966800000000, -0.0005337300000000, 0.0020454900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004540100000000 ] - [ 0.0001361200000000, 0.0013032200000000, 0.0020454900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004573600000000 ] - [ -0.0001361200000000, 0.0013032200000000, 0.0020454900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032560400000000 ] - [ 0.0003839700000000, -0.0001892500000000, -0.0025636300000000 ] - [ -0.0003839700000000, -0.0001892500000000, -0.0025636300000000 ] - [ -0.0000280900000000, 0.0004271500000000, -0.0025636300000000 ] - [ 0.0000280900000000, 0.0004271500000000, -0.0025636300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022084300000000 ] - [ 0.0003558800000000, -0.0002379000000000, -0.0025636300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022091500000000 ] - [ -0.0003558800000000, -0.0002379000000000, -0.0025636300000000 ] - [ 0.0135024600000000, -0.0077956500000000, -0.0002793800000000 ] - [ 0.0000000000000000, -0.0003127200000000, 0.0021541200000000 ] - [ -0.0135024600000000, -0.0077956500000000, -0.0002793800000000 ] - [ 0.0000000000000000, 0.0155912900000000, -0.0002793800000000 ] - [ 0.0005476100000000, 0.0003161700000000, 0.0025034500000000 ] - [ -0.0005476100000000, 0.0003161700000000, 0.0025034500000000 ] - [ 0.0002708200000000, 0.0001563600000000, 0.0021541200000000 ] - [ -0.0002708200000000, 0.0001563600000000, 0.0021541200000000 ] - [ 0.0000000000000000, -0.0006323300000000, 0.0025034500000000 ] - [ -0.0004520100000000, 0.0002609700000000, -0.0010757000000000 ] - [ 0.0000000000000000, 0.0001859400000000, -0.0004368500000000 ] - [ 0.0004520100000000, 0.0002609700000000, -0.0010757000000000 ] - [ 0.0000000000000000, -0.0005219400000000, -0.0010757000000000 ] - [ -0.0007761100000000, -0.0004480800000000, -0.0012416400000000 ] - [ 0.0007761100000000, -0.0004480800000000, -0.0012416400000000 ] - [ -0.0001610300000000, -0.0000929700000000, -0.0004368500000000 ] - [ 0.0001610300000000, -0.0000929700000000, -0.0004368500000000 ] - [ 0.0000000000000000, 0.0008961700000000, -0.0012416400000000 ] - [ 0.0000000000000000, -0.0031483900000000, -0.0029701300000000 ] - [ 0.0003683400000000, -0.0002126600000000, -0.0006203800000000 ] - [ -0.0003683400000000, -0.0002126600000000, -0.0006203800000000 ] - [ -0.0027265800000000, 0.0015741900000000, -0.0029701300000000 ] - [ 0.0027265800000000, 0.0015741900000000, -0.0029701300000000 ] - [ 0.0000000000000000, 0.0001179400000000, -0.0005058800000000 ] - [ -0.0001021400000000, -0.0000589700000000, -0.0005058800000000 ] - [ 0.0000000000000000, 0.0004253200000000, -0.0006203800000000 ] - [ 0.0001021400000000, -0.0000589700000000, -0.0005058800000000 ] - [ 0.0000000000000000, 0.0041255000000000, -0.0045938400000000 ] - [ -0.0005887700000000, 0.0003399300000000, -0.0004893800000000 ] - [ 0.0005887700000000, 0.0003399300000000, -0.0004893800000000 ] - [ 0.0035727900000000, -0.0020627500000000, -0.0045938400000000 ] - [ -0.0035727900000000, -0.0020627500000000, -0.0045938400000000 ] - [ 0.0000000000000000, 0.0000026100000000, 0.0001591300000000 ] - [ -0.0000022600000000, -0.0000013100000000, 0.0001591300000000 ] - [ 0.0000000000000000, -0.0006798600000000, -0.0004893800000000 ] - [ 0.0000022600000000, -0.0000013100000000, 0.0001591300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0468544900000000 ] - [ -0.0032924500000000, -0.0012365800000000, -0.0152603900000000 ] - [ 0.0032924500000000, -0.0012365800000000, -0.0152603900000000 ] - [ 0.0027171300000000, -0.0022330500000000, -0.0152603900000000 ] - [ -0.0027171300000000, -0.0022330500000000, -0.0152603900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0151170700000000 ] - [ -0.0005753100000000, 0.0034696300000000, -0.0152603900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0150229400000000 ] - [ 0.0005753100000000, 0.0034696300000000, -0.0152603900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099801900000000 ] - [ 0.0012143000000000, -0.0007218500000000, -0.0114992700000000 ] - [ -0.0012143000000000, -0.0007218500000000, -0.0114992700000000 ] - [ 0.0000179900000000, 0.0014125400000000, -0.0114992700000000 ] - [ -0.0000179900000000, 0.0014125400000000, -0.0114992700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0126873700000000 ] - [ 0.0012322900000000, -0.0006906900000000, -0.0114992700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0124057000000000 ] - [ -0.0012322900000000, -0.0006906900000000, -0.0114992700000000 ] - [ -0.0044972500000000, 0.0025964900000000, -0.0029784700000000 ] - [ 0.0000000000000000, -0.0002083200000000, 0.0121428900000000 ] - [ 0.0044972500000000, 0.0025964900000000, -0.0029784700000000 ] - [ 0.0000000000000000, -0.0051929800000000, -0.0029784700000000 ] - [ 0.0007387900000000, 0.0004265400000000, 0.0111786800000000 ] - [ -0.0007387900000000, 0.0004265400000000, 0.0111786800000000 ] - [ 0.0001804100000000, 0.0001041600000000, 0.0121428900000000 ] - [ -0.0001804100000000, 0.0001041600000000, 0.0121428900000000 ] - [ 0.0000000000000000, -0.0008530800000000, 0.0111786800000000 ] - [ -0.0006038800000000, 0.0003486500000000, 0.0168909400000000 ] - [ 0.0000000000000000, 0.0000538800000000, 0.0156530100000000 ] - [ 0.0006038800000000, 0.0003486500000000, 0.0168909400000000 ] - [ 0.0000000000000000, -0.0006973000000000, 0.0168909400000000 ] - [ -0.0006721800000000, -0.0003880800000000, 0.0165165400000000 ] - [ 0.0006721800000000, -0.0003880800000000, 0.0165165400000000 ] - [ -0.0000466600000000, -0.0000269400000000, 0.0156530100000000 ] - [ 0.0000466600000000, -0.0000269400000000, 0.0156530100000000 ] - [ 0.0000000000000000, 0.0007761600000000, 0.0165165400000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007613200000000, 0.0000007300000000, -0.0008457200000000 ] - [ 0.0004987000000000, 0.0002526100000000, -0.0004726100000000 ] - [ 0.0004996900000000, -0.0002524900000000, -0.0012063000000000 ] - [ -0.0000350800000000, -0.0003861800000000, -0.0007363000000000 ] - [ -0.0000360200000000, 0.0003833800000000, -0.0009427500000000 ] - [ 0.0000618800000000, -0.0000000200000000, -0.0008404600000000 ] - [ -0.0006912800000000, -0.0000393000000000, 0.0018792500000000 ] - [ 0.0006308900000000, 0.0000003500000000, -0.0008370000000000 ] - [ -0.0006857600000000, 0.0000448600000000, -0.0035367300000000 ] - [ -0.0032028300000000, -0.0000074800000000, -0.0008241400000000 ] - [ 0.0034772600000000, 0.0019651700000000, -0.0014163200000000 ] - [ 0.0034692800000000, -0.0019584500000000, -0.0002600600000000 ] - [ -0.0000032800000000, -0.0005912800000000, -0.0008352700000000 ] - [ -0.0000032500000000, 0.0005902500000000, -0.0008417300000000 ] - [ 0.0000751800000000, 0.0000078700000000, -0.0008372300000000 ] - [ 0.0014717600000000, -0.0027085100000000, -0.0044362200000000 ] - [ 0.0010200000000000, -0.0000027200000000, -0.0008408400000000 ] - [ 0.0014758500000000, 0.0026916800000000, 0.0027440400000000 ] - [ 0.0014717600000000, 0.0027085100000000, 0.0044362200000000 ] - [ 0.0010200000000000, 0.0000027200000000, 0.0008408400000000 ] - [ 0.0014758500000000, -0.0026916800000000, -0.0027440400000000 ] - [ 0.0000751800000000, -0.0000078700000000, 0.0008372300000000 ] - [ -0.0000032800000000, 0.0005912800000000, 0.0008352700000000 ] - [ -0.0000032500000000, -0.0005902500000000, 0.0008417300000000 ] - [ 0.0034772600000000, -0.0019651700000000, 0.0014163200000000 ] - [ 0.0034692800000000, 0.0019584500000000, 0.0002600600000000 ] - [ -0.0032028300000000, 0.0000074800000000, 0.0008241400000000 ] - [ -0.0006912800000000, 0.0000393000000000, -0.0018792500000000 ] - [ 0.0006308900000000, -0.0000003500000000, 0.0008370000000000 ] - [ -0.0006857600000000, -0.0000448600000000, 0.0035367300000000 ] - [ 0.0000618800000000, 0.0000000200000000, 0.0008404600000000 ] - [ -0.0000350800000000, 0.0003861800000000, 0.0007363000000000 ] - [ -0.0000360200000000, -0.0003833800000000, 0.0009427500000000 ] - [ 0.0004987000000000, -0.0002526100000000, 0.0004726100000000 ] - [ 0.0004996900000000, 0.0002524900000000, 0.0012063000000000 ] - [ -0.0007613200000000, -0.0000007300000000, 0.0008457200000000 ] - [ -0.0588899200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0053782300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0053085600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0008198000000000, -0.0026089900000000, -0.0003617200000000 ] - [ 0.0008178200000000, 0.0026153700000000, 0.0003631100000000 ] - [ 0.0004620400000000, 0.0000009900000000, 0.0000005300000000 ] - [ 0.0008178200000000, -0.0026153700000000, -0.0003631100000000 ] - [ 0.0004620400000000, -0.0000009900000000, -0.0000005300000000 ] - [ 0.0008198000000000, 0.0026089900000000, 0.0003617200000000 ] - [ -0.0007789100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002240800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002245300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000667100000000, -0.0001680600000000, -0.0000205500000000 ] - [ -0.0000672100000000, 0.0001682700000000, 0.0000195400000000 ] - [ 0.0001800000000000, 0.0000004800000000, 0.0000002100000000 ] - [ -0.0000672100000000, -0.0001682700000000, -0.0000195400000000 ] - [ 0.0001800000000000, -0.0000004800000000, -0.0000002100000000 ] - [ -0.0000667100000000, 0.0001680600000000, 0.0000205500000000 ] - [ 0.0033563000000000, -0.0000142000000000, -0.0139381800000000 ] - [ -0.0013160600000000, -0.0011179900000000, -0.0144569600000000 ] - [ -0.0013248100000000, 0.0011153100000000, -0.0133969600000000 ] - [ -0.0003374700000000, 0.0015143100000000, -0.0136235900000000 ] - [ -0.0003375600000000, -0.0015069100000000, -0.0142296200000000 ] - [ 0.0006137700000000, -0.0000025400000000, -0.0139270500000000 ] - [ 0.0085925000000000, -0.0030527300000000, -0.0085084400000000 ] - [ -0.0029539100000000, 0.0000016500000000, -0.0139340500000000 ] - [ 0.0083699900000000, 0.0028661200000000, -0.0190551200000000 ] - [ 0.0013621800000000, -0.0000026200000000, -0.0139296200000000 ] - [ -0.0006605600000000, -0.0003539600000000, -0.0131416300000000 ] - [ -0.0006588500000000, 0.0003512700000000, -0.0147113500000000 ] - [ 0.0000091400000000, 0.0003572300000000, -0.0138297300000000 ] - [ 0.0000090400000000, -0.0003557800000000, -0.0140276900000000 ] - [ -0.0000489300000000, -0.0000020800000000, -0.0139306300000000 ] - [ 0.0003992200000000, 0.0005597000000000, -0.0128008300000000 ] - [ -0.0006083800000000, -0.0000000800000000, -0.0139276900000000 ] - [ 0.0003937000000000, -0.0005554500000000, -0.0150597800000000 ] - [ 0.0003992200000000, -0.0005597000000000, 0.0128008300000000 ] - [ -0.0006083800000000, 0.0000000800000000, 0.0139276900000000 ] - [ 0.0003937000000000, 0.0005554500000000, 0.0150597800000000 ] - [ -0.0000489300000000, 0.0000020800000000, 0.0139306300000000 ] - [ 0.0000091400000000, -0.0003572300000000, 0.0138297300000000 ] - [ 0.0000090400000000, 0.0003557800000000, 0.0140276900000000 ] - [ -0.0006605600000000, 0.0003539600000000, 0.0131416300000000 ] - [ -0.0006588500000000, -0.0003512700000000, 0.0147113500000000 ] - [ 0.0013621800000000, 0.0000026200000000, 0.0139296200000000 ] - [ 0.0085925000000000, 0.0030527300000000, 0.0085084400000000 ] - [ -0.0029539100000000, -0.0000016500000000, 0.0139340500000000 ] - [ 0.0083699900000000, -0.0028661200000000, 0.0190551200000000 ] - [ 0.0006137700000000, 0.0000025400000000, 0.0139270500000000 ] - [ -0.0003374700000000, -0.0015143100000000, 0.0136235900000000 ] - [ -0.0003375600000000, 0.0015069100000000, 0.0142296200000000 ] - [ -0.0013160600000000, 0.0011179900000000, 0.0144569600000000 ] - [ -0.0013248100000000, -0.0011153100000000, 0.0133969600000000 ] - [ 0.0033563000000000, 0.0000142000000000, 0.0139381800000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000910900000000, 0.0021165500000000 ] - [ 0.0007882400000000, 0.0004550900000000, -0.0002203600000000 ] - [ -0.0007882400000000, 0.0004550900000000, -0.0002203600000000 ] - [ -0.0004180800000000, -0.0002413800000000, -0.0003331700000000 ] - [ 0.0004180800000000, -0.0002413800000000, -0.0003331700000000 ] - [ 0.0000000000000000, -0.0009101800000000, -0.0002203600000000 ] - [ 0.0000788900000000, -0.0000455500000000, 0.0021165500000000 ] - [ 0.0000000000000000, 0.0004827600000000, -0.0003331700000000 ] - [ -0.0000788900000000, -0.0000455500000000, 0.0021165500000000 ] - [ 0.0000000000000000, -0.0069314100000000, 0.0037485400000000 ] - [ -0.0043928700000000, -0.0025362300000000, -0.0003668100000000 ] - [ 0.0043928700000000, -0.0025362300000000, -0.0003668100000000 ] - [ 0.0000062400000000, 0.0000036000000000, -0.0009982000000000 ] - [ -0.0000062400000000, 0.0000036000000000, -0.0009982000000000 ] - [ 0.0000000000000000, 0.0050724500000000, -0.0003668100000000 ] - [ -0.0060027700000000, 0.0034657000000000, 0.0037485400000000 ] - [ 0.0000000000000000, -0.0000072100000000, -0.0009982000000000 ] - [ 0.0060027700000000, 0.0034657000000000, 0.0037485400000000 ] - [ 0.0060553000000000, 0.0034960300000000, 0.0054547400000000 ] - [ 0.0000000000000000, -0.0000067700000000, 0.0006760400000000 ] - [ -0.0060553000000000, 0.0034960300000000, 0.0054547400000000 ] - [ 0.0000000000000000, 0.0051090200000000, 0.0013124200000000 ] - [ -0.0000058600000000, 0.0000033900000000, 0.0006760400000000 ] - [ 0.0000058600000000, 0.0000033900000000, 0.0006760400000000 ] - [ 0.0044245400000000, -0.0025545100000000, 0.0013124200000000 ] - [ -0.0044245400000000, -0.0025545100000000, 0.0013124200000000 ] - [ 0.0000000000000000, -0.0069920600000000, 0.0054547400000000 ] - [ -0.0000788400000000, -0.0000455200000000, 0.0037961900000000 ] - [ 0.0000000000000000, 0.0004805600000000, 0.0013465900000000 ] - [ 0.0000788400000000, -0.0000455200000000, 0.0037961900000000 ] - [ 0.0000000000000000, -0.0009075200000000, 0.0014610800000000 ] - [ 0.0004161700000000, -0.0002402800000000, 0.0013465900000000 ] - [ -0.0004161700000000, -0.0002402800000000, 0.0013465900000000 ] - [ -0.0007859400000000, 0.0004537600000000, 0.0014610800000000 ] - [ 0.0007859400000000, 0.0004537600000000, 0.0014610800000000 ] - [ 0.0000000000000000, 0.0000910300000000, 0.0037961900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0810974900000000 ] - [ -0.0000114500000000, 0.0004189200000000, -0.0021732000000000 ] - [ 0.0000114500000000, 0.0004189200000000, -0.0021732000000000 ] - [ -0.0003570800000000, -0.0002193700000000, -0.0021732000000000 ] - [ 0.0003570800000000, -0.0002193700000000, -0.0021732000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012584700000000 ] - [ -0.0003685200000000, -0.0001995500000000, -0.0021732000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012585700000000 ] - [ 0.0003685200000000, -0.0001995500000000, -0.0021732000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018642500000000 ] - [ 0.0000001500000000, 0.0000225400000000, 0.0010181000000000 ] - [ -0.0000001500000000, 0.0000225400000000, 0.0010181000000000 ] - [ -0.0000196000000000, -0.0000111400000000, 0.0010181000000000 ] - [ 0.0000196000000000, -0.0000111400000000, 0.0010181000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008382100000000 ] - [ -0.0000194400000000, -0.0000114000000000, 0.0010181000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008380800000000 ] - [ 0.0000194400000000, -0.0000114000000000, 0.0010181000000000 ] - [ 0.0000000000000000, 0.0019409000000000, -0.0052273000000000 ] - [ -0.0017550100000000, -0.0010132600000000, -0.0124832700000000 ] - [ 0.0017550100000000, -0.0010132600000000, -0.0124832700000000 ] - [ 0.0010169100000000, 0.0005871100000000, -0.0126392300000000 ] - [ -0.0010169100000000, 0.0005871100000000, -0.0126392300000000 ] - [ 0.0000000000000000, 0.0020265100000000, -0.0124832700000000 ] - [ 0.0016808700000000, -0.0009704500000000, -0.0052273000000000 ] - [ 0.0000000000000000, -0.0011742300000000, -0.0126392300000000 ] - [ -0.0016808700000000, -0.0009704500000000, -0.0052273000000000 ] - [ 0.0000000000000000, 0.0006775500000000, -0.0170421300000000 ] - [ 0.0005236900000000, 0.0003023500000000, -0.0157543000000000 ] - [ -0.0005236900000000, 0.0003023500000000, -0.0157543000000000 ] - [ 0.0000435600000000, 0.0000251500000000, -0.0147753900000000 ] - [ -0.0000435600000000, 0.0000251500000000, -0.0147753900000000 ] - [ 0.0000000000000000, -0.0006047000000000, -0.0157543000000000 ] - [ 0.0005867800000000, -0.0003387800000000, -0.0170421300000000 ] - [ 0.0000000000000000, -0.0000503000000000, -0.0147753900000000 ] - [ -0.0005867800000000, -0.0003387800000000, -0.0170421300000000 ] - [ -0.0005869500000000, -0.0003388800000000, 0.0108121000000000 ] - [ 0.0000000000000000, -0.0000484600000000, 0.0130845900000000 ] - [ 0.0005869500000000, -0.0003388800000000, 0.0108121000000000 ] - [ 0.0000000000000000, -0.0006051200000000, 0.0121007900000000 ] - [ -0.0000419700000000, 0.0000242300000000, 0.0130845900000000 ] - [ 0.0000419700000000, 0.0000242300000000, 0.0130845900000000 ] - [ -0.0005240500000000, 0.0003025600000000, 0.0121007900000000 ] - [ 0.0005240500000000, 0.0003025600000000, 0.0121007900000000 ] - [ 0.0000000000000000, 0.0006777600000000, 0.0108121000000000 ] - [ -0.0014085700000000, -0.0008132400000000, 0.0223681400000000 ] - [ 0.0000000000000000, -0.0011623200000000, 0.0152033400000000 ] - [ 0.0014085700000000, -0.0008132400000000, 0.0223681400000000 ] - [ 0.0000000000000000, 0.0020266200000000, 0.0153606000000000 ] - [ -0.0010066000000000, 0.0005811600000000, 0.0152033400000000 ] - [ 0.0010066000000000, 0.0005811600000000, 0.0152033400000000 ] - [ 0.0017551000000000, -0.0010133100000000, 0.0153606000000000 ] - [ -0.0017551000000000, -0.0010133100000000, 0.0153606000000000 ] - [ 0.0000000000000000, 0.0016264700000000, 0.0223681400000000 ]- atom: 55 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0169691700000000, -0.0000146700000000, -0.0008282600000000 ] - [ -0.0041887300000000, -0.0011312500000000, -0.0041403500000000 ] - [ -0.0041700000000000, 0.0011285300000000, 0.0024309400000000 ] - [ 0.0007473400000000, 0.0010723300000000, -0.0002591200000000 ] - [ 0.0007936400000000, -0.0010577300000000, -0.0014047900000000 ] - [ -0.0013318700000000, -0.0000004900000000, -0.0008422600000000 ] - [ 0.0001918000000000, 0.0043251600000000, -0.0035607900000000 ] - [ -0.0006437900000000, 0.0000047700000000, -0.0008411900000000 ] - [ 0.0002011600000000, -0.0043129800000000, 0.0018645600000000 ] - [ 0.0028362700000000, 0.0000013600000000, -0.0008333700000000 ] - [ -0.0017150400000000, 0.0007341700000000, 0.0003779000000000 ] - [ -0.0017173500000000, -0.0007426800000000, -0.0020522200000000 ] - [ 0.0009379500000000, 0.0016746500000000, -0.0020744100000000 ] - [ 0.0009310900000000, -0.0016751500000000, 0.0003999200000000 ] - [ -0.0021600200000000, 0.0000070400000000, -0.0008374900000000 ] - [ 0.0004177600000000, 0.0010925700000000, -0.0008566400000000 ] - [ -0.0007416600000000, 0.0000022100000000, -0.0008357500000000 ] - [ 0.0004226300000000, -0.0010852700000000, -0.0008123200000000 ] - [ 0.0236177700000000, -0.0061777500000000, 0.0056752700000000 ] - [ -0.0053980000000000, 0.0000078400000000, 0.0008346700000000 ] - [ 0.0220646800000000, 0.0052519400000000, -0.0035056600000000 ] - [ 0.0129464200000000, 0.0000804300000000, 0.0008604800000000 ] - [ -0.0021645100000000, -0.0033111900000000, 0.0001057400000000 ] - [ -0.0021654700000000, 0.0032766000000000, 0.0015675900000000 ] - [ -0.0017475700000000, 0.0021206800000000, 0.0006562500000000 ] - [ -0.0017414300000000, -0.0020977200000000, 0.0010176700000000 ] - [ 0.0035399900000000, 0.0000007500000000, 0.0008359600000000 ] - [ 0.0003521400000000, 0.0000327300000000, 0.0014410800000000 ] - [ -0.0007639500000000, 0.0000002900000000, 0.0008409300000000 ] - [ 0.0003525700000000, -0.0000340000000000, 0.0002421500000000 ] - [ 0.0004102400000000, 0.0000001500000000, 0.0008431900000000 ] - [ -0.0001531500000000, -0.0002526000000000, 0.0015059900000000 ] - [ -0.0001533300000000, 0.0002518100000000, 0.0001690600000000 ] - [ -0.0001292200000000, 0.0003680900000000, 0.0008849100000000 ] - [ -0.0001274500000000, -0.0003659200000000, 0.0007976200000000 ] - [ 0.0002836800000000, 0.0000008900000000, 0.0008414300000000 ] - [ 0.0033573300000000, 0.0000721700000000, 0.0000737500000000 ] - [ -0.0013234800000000, 0.0011203200000000, 0.0017601600000000 ] - [ -0.0013179600000000, -0.0011131800000000, -0.0017490200000000 ] - [ 0.0083470500000000, -0.0028812700000000, 0.0014125500000000 ] - [ 0.0086181700000000, 0.0030382300000000, -0.0016787500000000 ] - [ -0.0029545900000000, -0.0000046000000000, 0.0000103900000000 ] - [ -0.0003407200000000, 0.0015161700000000, 0.0010116400000000 ] - [ 0.0006137500000000, 0.0000019800000000, -0.0000086600000000 ] - [ -0.0003340200000000, -0.0015059700000000, -0.0010122900000000 ] - [ 0.0013611300000000, -0.0000011100000000, 0.0000007000000000 ] - [ -0.0006589800000000, 0.0003532600000000, -0.0005248900000000 ] - [ -0.0006598200000000, -0.0003519100000000, 0.0005244000000000 ] - [ 0.0003901500000000, 0.0005540800000000, 0.0005922800000000 ] - [ 0.0004019200000000, -0.0005604100000000, -0.0005827500000000 ] - [ -0.0006078800000000, -0.0000009800000000, -0.0000014200000000 ] - [ 0.0000079900000000, 0.0003566700000000, 0.0000430400000000 ] - [ -0.0000488000000000, 0.0000055700000000, 0.0000055200000000 ] - [ 0.0000097600000000, -0.0003554400000000, -0.0000429800000000 ] - [ -0.1263310900000000, 0.0007222000000000, -0.0143398300000000 ] - [ 0.0221532100000000, 0.0031690500000000, -0.0155157500000000 ] - [ 0.0218732000000000, -0.0031461300000000, -0.0123459400000000 ] - [ 0.0003456400000000, -0.0093807000000000, -0.0160271300000000 ] - [ 0.0002382800000000, 0.0093847800000000, -0.0117860400000000 ] - [ 0.0024363600000000, 0.0000027900000000, -0.0139278100000000 ] - [ 0.0002953200000000, -0.0157505000000000, -0.0176322400000000 ] - [ 0.0024363900000000, -0.0000122500000000, -0.0139228000000000 ] - [ 0.0002884300000000, 0.0156451000000000, -0.0102207300000000 ] - [ -0.0008592900000000, 0.0000015400000000, -0.0139340000000000 ] - [ 0.0004304600000000, -0.0000175700000000, -0.0143657700000000 ] - [ 0.0004346500000000, 0.0000230800000000, -0.0134947000000000 ] - [ -0.0002227200000000, -0.0004011800000000, -0.0136945600000000 ] - [ -0.0002234300000000, 0.0003981900000000, -0.0141685600000000 ] - [ 0.0004204800000000, -0.0000010000000000, -0.0139272000000000 ] - [ -0.0002243200000000, -0.0003581700000000, -0.0141291300000000 ] - [ 0.0004216900000000, -0.0000028100000000, -0.0139309200000000 ] - [ -0.0002232400000000, 0.0003574800000000, -0.0137324300000000 ] - [ 0.0006269000000000, -0.0023311200000000, 0.0320429700000000 ] - [ 0.0037111000000000, -0.0000051800000000, 0.0139351600000000 ] - [ 0.0006900200000000, 0.0023275500000000, -0.0040478600000000 ] - [ -0.0033762000000000, -0.0000341800000000, 0.0138581100000000 ] - [ 0.0010287400000000, 0.0020346400000000, 0.0158165100000000 ] - [ 0.0010439100000000, -0.0020174200000000, 0.0120515700000000 ] - [ 0.0012383900000000, -0.0014386800000000, 0.0144325800000000 ] - [ 0.0012313600000000, 0.0014210400000000, 0.0134207200000000 ] - [ -0.0024733600000000, 0.0000015100000000, 0.0139313600000000 ] - [ -0.0010793800000000, -0.0040570000000000, 0.0104053800000000 ] - [ 0.0026906000000000, 0.0000026900000000, 0.0139199400000000 ] - [ -0.0010907400000000, 0.0040600800000000, 0.0174312900000000 ] - [ -0.0081142800000000, 0.0000040800000000, 0.0139273800000000 ] - [ 0.0041023300000000, 0.0023503100000000, 0.0116131200000000 ] - [ 0.0041058300000000, -0.0023500500000000, 0.0162415000000000 ] - [ 0.0001403100000000, -0.0014785700000000, 0.0130334500000000 ] - [ 0.0001358900000000, 0.0014684800000000, 0.0148179700000000 ] - [ 0.0000337800000000, -0.0000112700000000, 0.0139220300000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0321084200000000 ] - [ -0.0030649700000000, -0.0011401700000000, 0.0004897000000000 ] - [ 0.0030649700000000, -0.0011401700000000, 0.0004897000000000 ] - [ 0.0025199000000000, -0.0020842600000000, 0.0004897000000000 ] - [ -0.0025199000000000, -0.0020842600000000, 0.0004897000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002501600000000 ] - [ -0.0005450700000000, 0.0032244300000000, 0.0004897000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003482300000000 ] - [ 0.0005450700000000, 0.0032244300000000, 0.0004897000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0047802800000000 ] - [ 0.0017468600000000, -0.0004753500000000, -0.0032632000000000 ] - [ -0.0017468600000000, -0.0004753500000000, -0.0032632000000000 ] - [ -0.0004617600000000, 0.0017505000000000, -0.0032632000000000 ] - [ 0.0004617600000000, 0.0017505000000000, -0.0032632000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023555000000000 ] - [ 0.0012851000000000, -0.0012751500000000, -0.0032632000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020753600000000 ] - [ -0.0012851000000000, -0.0012751500000000, -0.0032632000000000 ] - [ 0.0026082200000000, -0.0015058600000000, 0.0177553000000000 ] - [ 0.0000000000000000, 0.0001000800000000, 0.0026231500000000 ] - [ -0.0026082200000000, -0.0015058600000000, 0.0177553000000000 ] - [ 0.0000000000000000, 0.0030117100000000, 0.0177553000000000 ] - [ -0.0003607300000000, -0.0002082700000000, 0.0035927400000000 ] - [ 0.0003607300000000, -0.0002082700000000, 0.0035927400000000 ] - [ -0.0000866700000000, -0.0000500400000000, 0.0026231500000000 ] - [ 0.0000866700000000, -0.0000500400000000, 0.0026231500000000 ] - [ 0.0000000000000000, 0.0004165300000000, 0.0035927400000000 ] - [ -0.0000688500000000, 0.0000397500000000, -0.0021130000000000 ] - [ 0.0000000000000000, -0.0004362500000000, -0.0008820300000000 ] - [ 0.0000688500000000, 0.0000397500000000, -0.0021130000000000 ] - [ 0.0000000000000000, -0.0000795000000000, -0.0021130000000000 ] - [ -0.0005084600000000, -0.0002935600000000, -0.0017449900000000 ] - [ 0.0005084600000000, -0.0002935600000000, -0.0017449900000000 ] - [ 0.0003778000000000, 0.0002181200000000, -0.0008820300000000 ] - [ -0.0003778000000000, 0.0002181200000000, -0.0008820300000000 ] - [ 0.0000000000000000, 0.0005871200000000, -0.0017449900000000 ] - [ 0.0000000000000000, 0.0059295700000000, 0.0084314200000000 ] - [ 0.0005294100000000, -0.0003056500000000, 0.0014334200000000 ] - [ -0.0005294100000000, -0.0003056500000000, 0.0014334200000000 ] - [ 0.0051351600000000, -0.0029647800000000, 0.0084314200000000 ] - [ -0.0051351600000000, -0.0029647800000000, 0.0084314200000000 ] - [ 0.0000000000000000, -0.0003496200000000, 0.0012796200000000 ] - [ 0.0003027800000000, 0.0001748100000000, 0.0012796200000000 ] - [ 0.0000000000000000, 0.0006113100000000, 0.0014334200000000 ] - [ -0.0003027800000000, 0.0001748100000000, 0.0012796200000000 ] - [ 0.0000000000000000, 0.0013099500000000, -0.0031240100000000 ] - [ -0.0007880900000000, 0.0004550100000000, -0.0018302500000000 ] - [ 0.0007880900000000, 0.0004550100000000, -0.0018302500000000 ] - [ 0.0011344500000000, -0.0006549800000000, -0.0031240100000000 ] - [ -0.0011344500000000, -0.0006549800000000, -0.0031240100000000 ] - [ 0.0000000000000000, -0.0001147800000000, -0.0008450100000000 ] - [ 0.0000994000000000, 0.0000573900000000, -0.0008450100000000 ] - [ 0.0000000000000000, -0.0009100100000000, -0.0018302500000000 ] - [ -0.0000994000000000, 0.0000573900000000, -0.0008450100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1410008700000000 ] - [ 0.0015519400000000, 0.0033492000000000, -0.0218099000000000 ] - [ -0.0015519400000000, 0.0033492000000000, -0.0218099000000000 ] - [ -0.0036764600000000, -0.0003305800000000, -0.0218099000000000 ] - [ 0.0036764600000000, -0.0003305800000000, -0.0218099000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0168538000000000 ] - [ -0.0021245200000000, -0.0030186200000000, -0.0218099000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0168510400000000 ] - [ 0.0021245200000000, -0.0030186200000000, -0.0218099000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0091226100000000 ] - [ 0.0004380500000000, -0.0000218900000000, -0.0106749100000000 ] - [ -0.0004380500000000, -0.0000218900000000, -0.0106749100000000 ] - [ -0.0002000700000000, 0.0003903100000000, -0.0106749100000000 ] - [ 0.0002000700000000, 0.0003903100000000, -0.0106749100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0114996100000000 ] - [ 0.0002379900000000, -0.0003684200000000, -0.0106749100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0115024100000000 ] - [ -0.0002379900000000, -0.0003684200000000, -0.0106749100000000 ] - [ 0.0181699900000000, -0.0104904500000000, 0.0262130300000000 ] - [ 0.0000000000000000, -0.0005847900000000, 0.0135180500000000 ] - [ -0.0181699900000000, -0.0104904500000000, 0.0262130300000000 ] - [ 0.0000000000000000, 0.0209808900000000, 0.0262130300000000 ] - [ 0.0018862500000000, 0.0010890300000000, 0.0135116200000000 ] - [ -0.0018862500000000, 0.0010890300000000, 0.0135116200000000 ] - [ 0.0005064400000000, 0.0002924000000000, 0.0135180500000000 ] - [ -0.0005064400000000, 0.0002924000000000, 0.0135180500000000 ] - [ 0.0000000000000000, -0.0021780600000000, 0.0135116200000000 ] - [ -0.0034990300000000, 0.0020201700000000, 0.0202892000000000 ] - [ 0.0000000000000000, 0.0010315800000000, 0.0151887500000000 ] - [ 0.0034990300000000, 0.0020201700000000, 0.0202892000000000 ] - [ 0.0000000000000000, -0.0040403400000000, 0.0202892000000000 ] - [ -0.0023117100000000, -0.0013346700000000, 0.0183312000000000 ] - [ 0.0023117100000000, -0.0013346700000000, 0.0183312000000000 ] - [ -0.0008933800000000, -0.0005157900000000, 0.0151887500000000 ] - [ 0.0008933800000000, -0.0005157900000000, 0.0151887500000000 ] - [ 0.0000000000000000, 0.0026693400000000, 0.0183312000000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0309579300000000 ] - [ 0.0030554500000000, 0.0011415600000000, -0.0021479000000000 ] - [ -0.0030554500000000, 0.0011415600000000, -0.0021479000000000 ] - [ -0.0025163400000000, 0.0020753200000000, -0.0021479000000000 ] - [ 0.0025163400000000, 0.0020753200000000, -0.0021479000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019250100000000 ] - [ 0.0005391100000000, -0.0032168700000000, -0.0021479000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020182800000000 ] - [ -0.0005391100000000, -0.0032168700000000, -0.0021479000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030988300000000 ] - [ -0.0017522300000000, 0.0004685500000000, 0.0015774100000000 ] - [ 0.0017522300000000, 0.0004685500000000, 0.0015774100000000 ] - [ 0.0004703400000000, -0.0017517500000000, 0.0015774100000000 ] - [ -0.0004703400000000, -0.0017517500000000, 0.0015774100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006667600000000 ] - [ -0.0012818900000000, 0.0012832000000000, 0.0015774100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003923500000000 ] - [ 0.0012818900000000, 0.0012832000000000, 0.0015774100000000 ] - [ -0.0024499800000000, 0.0014145000000000, -0.0159988700000000 ] - [ 0.0000000000000000, -0.0001022300000000, -0.0009367300000000 ] - [ 0.0024499800000000, 0.0014145000000000, -0.0159988700000000 ] - [ 0.0000000000000000, -0.0028290000000000, -0.0159988700000000 ] - [ 0.0003641800000000, 0.0002102600000000, -0.0019088300000000 ] - [ -0.0003641800000000, 0.0002102600000000, -0.0019088300000000 ] - [ 0.0000885300000000, 0.0000511100000000, -0.0009367300000000 ] - [ -0.0000885300000000, 0.0000511100000000, -0.0009367300000000 ] - [ 0.0000000000000000, -0.0004205200000000, -0.0019088300000000 ] - [ 0.0000647400000000, -0.0000373800000000, 0.0037878900000000 ] - [ 0.0000000000000000, 0.0004369400000000, 0.0025551300000000 ] - [ -0.0000647400000000, -0.0000373800000000, 0.0037878900000000 ] - [ 0.0000000000000000, 0.0000747600000000, 0.0037878900000000 ] - [ 0.0005022400000000, 0.0002899700000000, 0.0034120300000000 ] - [ -0.0005022400000000, 0.0002899700000000, 0.0034120300000000 ] - [ -0.0003784000000000, -0.0002184700000000, 0.0025551300000000 ] - [ 0.0003784000000000, -0.0002184700000000, 0.0025551300000000 ] - [ 0.0000000000000000, -0.0005799300000000, 0.0034120300000000 ] - [ 0.0000000000000000, -0.0062493000000000, -0.0087093100000000 ] - [ -0.0005308200000000, 0.0003064700000000, -0.0014436700000000 ] - [ 0.0005308200000000, 0.0003064700000000, -0.0014436700000000 ] - [ -0.0054120500000000, 0.0031246500000000, -0.0087093100000000 ] - [ 0.0054120500000000, 0.0031246500000000, -0.0087093100000000 ] - [ 0.0000000000000000, 0.0003502500000000, -0.0012852000000000 ] - [ -0.0003033200000000, -0.0001751200000000, -0.0012852000000000 ] - [ 0.0000000000000000, -0.0006129400000000, -0.0014436700000000 ] - [ 0.0003033200000000, -0.0001751200000000, -0.0012852000000000 ] - [ 0.0000000000000000, -0.0012987500000000, 0.0031055800000000 ] - [ 0.0007827100000000, -0.0004519000000000, 0.0018241100000000 ] - [ -0.0007827100000000, -0.0004519000000000, 0.0018241100000000 ] - [ -0.0011247500000000, 0.0006493700000000, 0.0031055800000000 ] - [ 0.0011247500000000, 0.0006493700000000, 0.0031055800000000 ] - [ 0.0000000000000000, 0.0001137300000000, 0.0008464000000000 ] - [ -0.0000984900000000, -0.0000568700000000, 0.0008464000000000 ] - [ 0.0000000000000000, 0.0009038000000000, 0.0018241100000000 ] - [ 0.0000984900000000, -0.0000568700000000, 0.0008464000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1105497400000000 ] - [ -0.0016174300000000, -0.0033781400000000, -0.0060282400000000 ] - [ 0.0016174300000000, -0.0033781400000000, -0.0060282400000000 ] - [ 0.0037342700000000, 0.0002883400000000, -0.0060282400000000 ] - [ -0.0037342700000000, 0.0002883400000000, -0.0060282400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0110043200000000 ] - [ 0.0021168400000000, 0.0030898100000000, -0.0060282400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0110004400000000 ] - [ -0.0021168400000000, 0.0030898100000000, -0.0060282400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0187258700000000 ] - [ -0.0004324800000000, 0.0000222800000000, -0.0171729000000000 ] - [ 0.0004324800000000, 0.0000222800000000, -0.0171729000000000 ] - [ 0.0001969500000000, -0.0003856700000000, -0.0171729000000000 ] - [ -0.0001969500000000, -0.0003856700000000, -0.0171729000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0163454800000000 ] - [ -0.0002355300000000, 0.0003634000000000, -0.0171729000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0163475200000000 ] - [ 0.0002355300000000, 0.0003634000000000, -0.0171729000000000 ] - [ -0.0179224400000000, 0.0103475300000000, 0.0017560700000000 ] - [ 0.0000000000000000, 0.0005817700000000, 0.0143256000000000 ] - [ 0.0179224400000000, 0.0103475300000000, 0.0017560700000000 ] - [ 0.0000000000000000, -0.0206950500000000, 0.0017560700000000 ] - [ -0.0018781300000000, -0.0010843400000000, 0.0143326700000000 ] - [ 0.0018781300000000, -0.0010843400000000, 0.0143326700000000 ] - [ -0.0005038200000000, -0.0002908800000000, 0.0143256000000000 ] - [ 0.0005038200000000, -0.0002908800000000, 0.0143256000000000 ] - [ 0.0000000000000000, 0.0021686800000000, 0.0143326700000000 ] - [ 0.0035281200000000, -0.0020369600000000, 0.0075459300000000 ] - [ 0.0000000000000000, -0.0010297800000000, 0.0126758800000000 ] - [ -0.0035281200000000, -0.0020369600000000, 0.0075459300000000 ] - [ 0.0000000000000000, 0.0040739300000000, 0.0075459300000000 ] - [ 0.0023166400000000, 0.0013375100000000, 0.0095309900000000 ] - [ -0.0023166400000000, 0.0013375100000000, 0.0095309900000000 ] - [ 0.0008918100000000, 0.0005148900000000, 0.0126758800000000 ] - [ -0.0008918100000000, 0.0005148900000000, 0.0126758800000000 ] - [ 0.0000000000000000, -0.0026750300000000, 0.0095309900000000 ]