# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/ace0b4cc-05e7-4cb1-b8ea-c7f5a8cb5610/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 Nd2TeS2 / P-3m1 (164) / materials id 10933](https://mdr.nims.go.jp/datasets/ee23d53f-c1e6-4450-a9aa-8d2928644c89) ## 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: - [ 4.597338559999999, 0.000000000000000, 0.000000000000000 ] # a - [ -2.298669270000000, 3.981411979999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 7.626670980000000 ] # c points: - symbol: S # 1 coordinates: [ 0.333333330000000, 0.666666670000000, 0.364005740000000 ] mass: 32.065000 - symbol: S # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.635994260000000 ] mass: 32.065000 - symbol: Te # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 127.600000 - symbol: Nd # 4 coordinates: [ 0.666666670000000, 0.333333330000000, 0.266160620000000 ] mass: 144.242000 - symbol: Nd # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.733839380000000 ] mass: 144.242000 reciprocal_lattice: # without 2pi - [ 0.217517154098827, 0.125583587012974, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.251167175118612, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.131118806963402 ] # c*unit_cell: lattice: - [ 4.597338560000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.298669270000000, 3.981411980000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 7.626670980000000 ] # c points: - symbol: S # 1 coordinates: [ 0.333333330000000, 0.666666670000000, 0.364005740000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.635994260000000 ] mass: 32.065000 reduced_to: 2 - symbol: Te # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 3 - symbol: Nd # 4 coordinates: [ 0.666666670000000, 0.333333330000000, 0.266160620000000 ] mass: 144.242000 reduced_to: 4 - symbol: Nd # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.733839380000000 ] mass: 144.242000 reduced_to: 5supercell: lattice: - [ 13.792015679999999, 0.000000000000000, 0.000000000000000 ] # a - [ -6.896007810000000, 11.944235939999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 15.253341960000000 ] # c points: - symbol: S # 1 coordinates: [ 0.111111110000000, 0.222222223333333, 0.182002870000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 2 coordinates: [ 0.444444443333333, 0.222222223333333, 0.182002870000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 3 coordinates: [ 0.777777776666667, 0.222222223333333, 0.182002870000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 4 coordinates: [ 0.111111110000000, 0.555555556666667, 0.182002870000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 5 coordinates: [ 0.444444443333333, 0.555555556666667, 0.182002870000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 6 coordinates: [ 0.777777776666667, 0.555555556666667, 0.182002870000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 7 coordinates: [ 0.111111110000000, 0.888888890000000, 0.182002870000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 8 coordinates: [ 0.444444443333333, 0.888888890000000, 0.182002870000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 9 coordinates: [ 0.777777776666667, 0.888888890000000, 0.182002870000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 10 coordinates: [ 0.111111110000000, 0.222222223333333, 0.682002870000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 11 coordinates: [ 0.444444443333333, 0.222222223333333, 0.682002870000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 12 coordinates: [ 0.777777776666667, 0.222222223333333, 0.682002870000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 13 coordinates: [ 0.111111110000000, 0.555555556666667, 0.682002870000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 14 coordinates: [ 0.444444443333333, 0.555555556666667, 0.682002870000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 15 coordinates: [ 0.777777776666667, 0.555555556666667, 0.682002870000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 16 coordinates: [ 0.111111110000000, 0.888888890000000, 0.682002870000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 17 coordinates: [ 0.444444443333333, 0.888888890000000, 0.682002870000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 18 coordinates: [ 0.777777776666667, 0.888888890000000, 0.682002870000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 19 coordinates: [ 0.222222223333333, 0.111111110000000, 0.317997130000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 20 coordinates: [ 0.555555556666667, 0.111111110000000, 0.317997130000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 21 coordinates: [ 0.888888890000000, 0.111111110000000, 0.317997130000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 22 coordinates: [ 0.222222223333333, 0.444444443333333, 0.317997130000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 23 coordinates: [ 0.555555556666667, 0.444444443333333, 0.317997130000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 24 coordinates: [ 0.888888890000000, 0.444444443333333, 0.317997130000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 25 coordinates: [ 0.222222223333333, 0.777777776666667, 0.317997130000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 26 coordinates: [ 0.555555556666667, 0.777777776666667, 0.317997130000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 27 coordinates: [ 0.888888890000000, 0.777777776666667, 0.317997130000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 28 coordinates: [ 0.222222223333333, 0.111111110000000, 0.817997130000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 29 coordinates: [ 0.555555556666667, 0.111111110000000, 0.817997130000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 30 coordinates: [ 0.888888890000000, 0.111111110000000, 0.817997130000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 31 coordinates: [ 0.222222223333333, 0.444444443333333, 0.817997130000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 32 coordinates: [ 0.555555556666667, 0.444444443333333, 0.817997130000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 33 coordinates: [ 0.888888890000000, 0.444444443333333, 0.817997130000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 34 coordinates: [ 0.222222223333333, 0.777777776666667, 0.817997130000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 35 coordinates: [ 0.555555556666667, 0.777777776666667, 0.817997130000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 36 coordinates: [ 0.888888890000000, 0.777777776666667, 0.817997130000000 ] mass: 32.065000 reduced_to: 19 - symbol: Te # 37 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 38 coordinates: [ 0.333333333333333, 0.000000000000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 39 coordinates: [ 0.666666666666667, 0.000000000000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 40 coordinates: [ 0.000000000000000, 0.333333333333333, 0.000000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 41 coordinates: [ 0.333333333333333, 0.333333333333333, 0.000000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 42 coordinates: [ 0.666666666666667, 0.333333333333333, 0.000000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 43 coordinates: [ 0.000000000000000, 0.666666666666667, 0.000000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 44 coordinates: [ 0.333333333333333, 0.666666666666667, 0.000000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 45 coordinates: [ 0.666666666666667, 0.666666666666667, 0.000000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 46 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 47 coordinates: [ 0.333333333333333, 0.000000000000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 48 coordinates: [ 0.666666666666667, 0.000000000000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 49 coordinates: [ 0.000000000000000, 0.333333333333333, 0.500000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 50 coordinates: [ 0.333333333333333, 0.333333333333333, 0.500000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 51 coordinates: [ 0.666666666666667, 0.333333333333333, 0.500000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 52 coordinates: [ 0.000000000000000, 0.666666666666667, 0.500000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 53 coordinates: [ 0.333333333333333, 0.666666666666667, 0.500000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 54 coordinates: [ 0.666666666666667, 0.666666666666667, 0.500000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Nd # 55 coordinates: [ 0.222222223333333, 0.111111110000000, 0.133080310000000 ] mass: 144.242000 reduced_to: 55 - symbol: Nd # 56 coordinates: [ 0.555555556666667, 0.111111110000000, 0.133080310000000 ] mass: 144.242000 reduced_to: 55 - symbol: Nd # 57 coordinates: [ 0.888888890000000, 0.111111110000000, 0.133080310000000 ] mass: 144.242000 reduced_to: 55 - symbol: Nd # 58 coordinates: [ 0.222222223333333, 0.444444443333333, 0.133080310000000 ] mass: 144.242000 reduced_to: 55 - symbol: Nd # 59 coordinates: [ 0.555555556666667, 0.444444443333333, 0.133080310000000 ] mass: 144.242000 reduced_to: 55 - symbol: Nd # 60 coordinates: [ 0.888888890000000, 0.444444443333333, 0.133080310000000 ] mass: 144.242000 reduced_to: 55 - symbol: Nd # 61 coordinates: [ 0.222222223333333, 0.777777776666667, 0.133080310000000 ] mass: 144.242000 reduced_to: 55 - symbol: Nd # 62 coordinates: [ 0.555555556666667, 0.777777776666667, 0.133080310000000 ] mass: 144.242000 reduced_to: 55 - symbol: Nd # 63 coordinates: [ 0.888888890000000, 0.777777776666667, 0.133080310000000 ] mass: 144.242000 reduced_to: 55 - symbol: Nd # 64 coordinates: [ 0.222222223333333, 0.111111110000000, 0.633080310000000 ] mass: 144.242000 reduced_to: 55 - symbol: Nd # 65 coordinates: [ 0.555555556666667, 0.111111110000000, 0.633080310000000 ] mass: 144.242000 reduced_to: 55 - symbol: Nd # 66 coordinates: [ 0.888888890000000, 0.111111110000000, 0.633080310000000 ] mass: 144.242000 reduced_to: 55 - symbol: Nd # 67 coordinates: [ 0.222222223333333, 0.444444443333333, 0.633080310000000 ] mass: 144.242000 reduced_to: 55 - symbol: Nd # 68 coordinates: [ 0.555555556666667, 0.444444443333333, 0.633080310000000 ] mass: 144.242000 reduced_to: 55 - symbol: Nd # 69 coordinates: [ 0.888888890000000, 0.444444443333333, 0.633080310000000 ] mass: 144.242000 reduced_to: 55 - symbol: Nd # 70 coordinates: [ 0.222222223333333, 0.777777776666667, 0.633080310000000 ] mass: 144.242000 reduced_to: 55 - symbol: Nd # 71 coordinates: [ 0.555555556666667, 0.777777776666667, 0.633080310000000 ] mass: 144.242000 reduced_to: 55 - symbol: Nd # 72 coordinates: [ 0.888888890000000, 0.777777776666667, 0.633080310000000 ] mass: 144.242000 reduced_to: 55 - symbol: Nd # 73 coordinates: [ 0.111111110000000, 0.222222223333333, 0.366919690000000 ] mass: 144.242000 reduced_to: 73 - symbol: Nd # 74 coordinates: [ 0.444444443333333, 0.222222223333333, 0.366919690000000 ] mass: 144.242000 reduced_to: 73 - symbol: Nd # 75 coordinates: [ 0.777777776666667, 0.222222223333333, 0.366919690000000 ] mass: 144.242000 reduced_to: 73 - symbol: Nd # 76 coordinates: [ 0.111111110000000, 0.555555556666667, 0.366919690000000 ] mass: 144.242000 reduced_to: 73 - symbol: Nd # 77 coordinates: [ 0.444444443333333, 0.555555556666667, 0.366919690000000 ] mass: 144.242000 reduced_to: 73 - symbol: Nd # 78 coordinates: [ 0.777777776666667, 0.555555556666667, 0.366919690000000 ] mass: 144.242000 reduced_to: 73 - symbol: Nd # 79 coordinates: [ 0.111111110000000, 0.888888890000000, 0.366919690000000 ] mass: 144.242000 reduced_to: 73 - symbol: Nd # 80 coordinates: [ 0.444444443333333, 0.888888890000000, 0.366919690000000 ] mass: 144.242000 reduced_to: 73 - symbol: Nd # 81 coordinates: [ 0.777777776666667, 0.888888890000000, 0.366919690000000 ] mass: 144.242000 reduced_to: 73 - symbol: Nd # 82 coordinates: [ 0.111111110000000, 0.222222223333333, 0.866919690000000 ] mass: 144.242000 reduced_to: 73 - symbol: Nd # 83 coordinates: [ 0.444444443333333, 0.222222223333333, 0.866919690000000 ] mass: 144.242000 reduced_to: 73 - symbol: Nd # 84 coordinates: [ 0.777777776666667, 0.222222223333333, 0.866919690000000 ] mass: 144.242000 reduced_to: 73 - symbol: Nd # 85 coordinates: [ 0.111111110000000, 0.555555556666667, 0.866919690000000 ] mass: 144.242000 reduced_to: 73 - symbol: Nd # 86 coordinates: [ 0.444444443333333, 0.555555556666667, 0.866919690000000 ] mass: 144.242000 reduced_to: 73 - symbol: Nd # 87 coordinates: [ 0.777777776666667, 0.555555556666667, 0.866919690000000 ] mass: 144.242000 reduced_to: 73 - symbol: Nd # 88 coordinates: [ 0.111111110000000, 0.888888890000000, 0.866919690000000 ] mass: 144.242000 reduced_to: 73 - symbol: Nd # 89 coordinates: [ 0.444444443333333, 0.888888890000000, 0.866919690000000 ] mass: 144.242000 reduced_to: 73 - symbol: Nd # 90 coordinates: [ 0.777777776666667, 0.888888890000000, 0.866919690000000 ] mass: 144.242000 reduced_to: 73born_effective_charge:- # 1 (S) - [ -2.876339530000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -2.876339530000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.509782920000000 ]- # 2 (S) - [ -2.876339530000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -2.876339530000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.509782920000000 ]- # 3 (Te) - [ -2.677459230000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -2.677459230000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.371303810000000 ]- # 4 (Nd) - [ 4.215069140000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 4.215069140000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.695434820000000 ]- # 5 (Nd) - [ 4.215069140000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 4.215069140000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.695434820000000 ]dielectric_constant: - [ 8.392879680000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 8.392879680000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 8.060854490000001 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0753848400000000, 0.0008585300000000, -0.0023147200000000 ] - [ 0.0029436300000000, 0.0012144800000000, -0.0022640900000000 ] - [ 0.0029304700000000, -0.0012077600000000, -0.0031563600000000 ] - [ -0.0003824700000000, -0.0007113900000000, -0.0026952400000000 ] - [ -0.0003967200000000, 0.0007078600000000, -0.0027311600000000 ] - [ 0.0004959900000000, -0.0000008400000000, -0.0027131200000000 ] - [ -0.0003911400000000, -0.0031415400000000, -0.0022444900000000 ] - [ 0.0004957100000000, -0.0000017600000000, -0.0027125200000000 ] - [ -0.0003878000000000, 0.0031226100000000, -0.0031728800000000 ] - [ -0.0001016100000000, 0.0000005100000000, -0.0027142500000000 ] - [ 0.0001423700000000, -0.0000225300000000, -0.0028260500000000 ] - [ 0.0001445100000000, 0.0000237700000000, -0.0026027100000000 ] - [ -0.0000449300000000, -0.0001330300000000, -0.0026298200000000 ] - [ -0.0000455900000000, 0.0001309700000000, -0.0027986900000000 ] - [ 0.0001432100000000, 0.0000000600000000, -0.0027141500000000 ] - [ -0.0000457500000000, -0.0000858300000000, -0.0027413600000000 ] - [ 0.0001429900000000, -0.0000007800000000, -0.0027145300000000 ] - [ -0.0000446000000000, 0.0000859600000000, -0.0026870800000000 ] - [ 0.0053771800000000, -0.0046342900000000, 0.0097076000000000 ] - [ 0.0011189800000000, -0.0000006400000000, 0.0027156000000000 ] - [ 0.0053527900000000, 0.0045870900000000, -0.0042062600000000 ] - [ -0.0026202900000000, -0.0000313200000000, 0.0026962200000000 ] - [ -0.0000000300000000, 0.0007062800000000, 0.0028852200000000 ] - [ 0.0000034300000000, -0.0007020500000000, 0.0025427600000000 ] - [ 0.0005880000000000, -0.0003096800000000, 0.0028099400000000 ] - [ 0.0005855900000000, 0.0003048400000000, 0.0026190100000000 ] - [ -0.0012179400000000, -0.0000002800000000, 0.0027152100000000 ] - [ -0.0001530700000000, -0.0001874800000000, 0.0025735400000000 ] - [ 0.0009234700000000, 0.0000012300000000, 0.0027119300000000 ] - [ -0.0001519600000000, 0.0001876100000000, 0.0028520800000000 ] - [ -0.0004773800000000, 0.0000005700000000, 0.0027130700000000 ] - [ 0.0004990600000000, 0.0003706600000000, 0.0023535200000000 ] - [ 0.0004999700000000, -0.0003694000000000, 0.0030727800000000 ] - [ 0.0001642900000000, -0.0004384100000000, 0.0026327300000000 ] - [ 0.0001671000000000, 0.0004365700000000, 0.0027933800000000 ] - [ -0.0001413600000000, 0.0000016400000000, 0.0027142300000000 ] - [ -0.0019860600000000, 0.0000072500000000, 0.0000090500000000 ] - [ 0.0024110000000000, -0.0013916900000000, -0.0021710300000000 ] - [ 0.0023951300000000, 0.0013828000000000, 0.0021542800000000 ] - [ 0.0014040900000000, -0.0019500700000000, 0.0035908900000000 ] - [ 0.0013986200000000, 0.0019614700000000, -0.0036066800000000 ] - [ 0.0006268400000000, 0.0000013100000000, -0.0000010200000000 ] - [ 0.0000097100000000, -0.0003570100000000, -0.0000414000000000 ] - [ 0.0000002400000000, -0.0000094100000000, 0.0000069300000000 ] - [ 0.0000090400000000, 0.0003559500000000, 0.0000402700000000 ] - [ -0.0004700400000000, 0.0000065000000000, -0.0000024700000000 ] - [ 0.0005159000000000, -0.0002426200000000, 0.0004430200000000 ] - [ 0.0005154900000000, 0.0002421900000000, -0.0004416900000000 ] - [ -0.0002904900000000, -0.0001021800000000, -0.0001247500000000 ] - [ -0.0003025000000000, 0.0000981600000000, 0.0001176600000000 ] - [ 0.0004115700000000, 0.0000004600000000, 0.0000004500000000 ] - [ -0.0000452600000000, -0.0002645700000000, 0.0001780100000000 ] - [ 0.0000957500000000, -0.0000024000000000, -0.0000015400000000 ] - [ -0.0000462200000000, 0.0002635200000000, -0.0001770500000000 ] - [ 0.0265793900000000, -0.0133799900000000, -0.0324399500000000 ] - [ -0.0025293400000000, 0.0000016000000000, -0.0249704800000000 ] - [ 0.0255694600000000, 0.0126637400000000, -0.0179215300000000 ] - [ 0.0035228500000000, -0.0000500200000000, -0.0249721200000000 ] - [ -0.0008429200000000, -0.0014904300000000, -0.0248305300000000 ] - [ -0.0008440600000000, 0.0014797200000000, -0.0251051400000000 ] - [ -0.0008098200000000, 0.0010003500000000, -0.0250449000000000 ] - [ -0.0008044700000000, -0.0009882500000000, -0.0248955800000000 ] - [ 0.0017284300000000, 0.0000016200000000, -0.0249658200000000 ] - [ 0.0001776800000000, 0.0000264000000000, -0.0250268900000000 ] - [ -0.0004688200000000, -0.0000007600000000, -0.0249699900000000 ] - [ 0.0001757300000000, -0.0000281900000000, -0.0249099800000000 ] - [ 0.0002238800000000, 0.0000009900000000, -0.0249674800000000 ] - [ -0.0000545300000000, -0.0001103000000000, -0.0247517400000000 ] - [ -0.0000567000000000, 0.0001118400000000, -0.0251838000000000 ] - [ -0.0000499700000000, 0.0002435300000000, -0.0251908700000000 ] - [ -0.0000493000000000, -0.0002404800000000, -0.0247474000000000 ] - [ 0.0001367200000000, -0.0000004100000000, -0.0249681800000000 ] - [ 0.0057177900000000, -0.0000083800000000, 0.0249446300000000 ] - [ -0.0019555700000000, -0.0010610200000000, 0.0239388200000000 ] - [ -0.0019560300000000, 0.0010572800000000, 0.0259920700000000 ] - [ 0.0001794700000000, 0.0005241700000000, 0.0251396400000000 ] - [ 0.0001981300000000, -0.0005168500000000, 0.0247993600000000 ] - [ -0.0003373100000000, 0.0000013200000000, 0.0249685700000000 ] - [ 0.0004851300000000, 0.0021262200000000, 0.0241113500000000 ] - [ -0.0006739800000000, 0.0000019700000000, 0.0249685100000000 ] - [ 0.0004839500000000, -0.0021269200000000, 0.0258241400000000 ] - [ 0.0013114400000000, 0.0000011800000000, 0.0249689400000000 ] - [ -0.0010220700000000, 0.0001682800000000, 0.0258221600000000 ] - [ -0.0010247300000000, -0.0001744800000000, 0.0241190000000000 ] - [ 0.0002226600000000, 0.0011776000000000, 0.0243276400000000 ] - [ 0.0002245200000000, -0.0011783500000000, 0.0256102200000000 ] - [ -0.0003884900000000, -0.0000009400000000, 0.0249714300000000 ] - [ 0.0004772600000000, 0.0004054000000000, 0.0251808900000000 ] - [ -0.0013969500000000, 0.0000058300000000, 0.0249722600000000 ] - [ 0.0004665500000000, -0.0004051900000000, 0.0247604700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0646741100000000 ] - [ -0.0004498500000000, -0.0002801700000000, -0.0036380700000000 ] - [ 0.0004498500000000, -0.0002801700000000, -0.0036380700000000 ] - [ 0.0004675600000000, -0.0002495000000000, -0.0036380700000000 ] - [ -0.0004675600000000, -0.0002495000000000, -0.0036380700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031388400000000 ] - [ 0.0000177100000000, 0.0005296700000000, -0.0036380700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031394100000000 ] - [ -0.0000177100000000, 0.0005296700000000, -0.0036380700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021163800000000 ] - [ 0.0001123500000000, -0.0000338500000000, -0.0021615400000000 ] - [ -0.0001123500000000, -0.0000338500000000, -0.0021615400000000 ] - [ -0.0000268600000000, 0.0001142200000000, -0.0021615400000000 ] - [ 0.0000268600000000, 0.0001142200000000, -0.0021615400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021991400000000 ] - [ 0.0000854900000000, -0.0000803700000000, -0.0021615400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021991800000000 ] - [ -0.0000854900000000, -0.0000803700000000, -0.0021615400000000 ] - [ 0.0069817100000000, -0.0040308900000000, 0.0043318000000000 ] - [ 0.0000000000000000, -0.0001105300000000, 0.0022899300000000 ] - [ -0.0069817100000000, -0.0040308900000000, 0.0043318000000000 ] - [ 0.0000000000000000, 0.0080617900000000, 0.0043318000000000 ] - [ 0.0001703600000000, 0.0000983600000000, 0.0021410300000000 ] - [ -0.0001703600000000, 0.0000983600000000, 0.0021410300000000 ] - [ 0.0000957200000000, 0.0000552700000000, 0.0022899300000000 ] - [ -0.0000957200000000, 0.0000552700000000, 0.0022899300000000 ] - [ 0.0000000000000000, -0.0001967200000000, 0.0021410300000000 ] - [ -0.0001396900000000, 0.0000806500000000, 0.0032862600000000 ] - [ 0.0000000000000000, 0.0000914300000000, 0.0031311000000000 ] - [ 0.0001396900000000, 0.0000806500000000, 0.0032862600000000 ] - [ 0.0000000000000000, -0.0001613100000000, 0.0032862600000000 ] - [ -0.0003603200000000, -0.0002080300000000, 0.0036038800000000 ] - [ 0.0003603200000000, -0.0002080300000000, 0.0036038800000000 ] - [ -0.0000791800000000, -0.0000457100000000, 0.0031311000000000 ] - [ 0.0000791800000000, -0.0000457100000000, 0.0031311000000000 ] - [ 0.0000000000000000, 0.0004160600000000, 0.0036038800000000 ] - [ 0.0000000000000000, 0.0035442900000000, 0.0027370500000000 ] - [ -0.0003918500000000, 0.0002262300000000, 0.0002943400000000 ] - [ 0.0003918500000000, 0.0002262300000000, 0.0002943400000000 ] - [ 0.0030694400000000, -0.0017721400000000, 0.0027370500000000 ] - [ -0.0030694400000000, -0.0017721400000000, 0.0027370500000000 ] - [ 0.0000000000000000, 0.0000169400000000, -0.0000997400000000 ] - [ -0.0000146700000000, -0.0000084700000000, -0.0000997400000000 ] - [ 0.0000000000000000, -0.0004524700000000, 0.0002943400000000 ] - [ 0.0000146700000000, -0.0000084700000000, -0.0000997400000000 ] - [ 0.0000000000000000, -0.0017025100000000, 0.0010140400000000 ] - [ 0.0002391700000000, -0.0001380800000000, 0.0003320400000000 ] - [ -0.0002391700000000, -0.0001380800000000, 0.0003320400000000 ] - [ -0.0014744200000000, 0.0008512500000000, 0.0010140400000000 ] - [ 0.0014744200000000, 0.0008512500000000, 0.0010140400000000 ] - [ 0.0000000000000000, 0.0001116900000000, 0.0002425800000000 ] - [ -0.0000967300000000, -0.0000558500000000, 0.0002425800000000 ] - [ 0.0000000000000000, 0.0002761700000000, 0.0003320400000000 ] - [ 0.0000967300000000, -0.0000558500000000, 0.0002425800000000 ] - [ -0.0079352600000000, 0.0045814300000000, -0.0183358300000000 ] - [ 0.0000000000000000, -0.0000102300000000, -0.0244445100000000 ] - [ 0.0079352600000000, 0.0045814300000000, -0.0183358300000000 ] - [ 0.0000000000000000, -0.0091628500000000, -0.0183358300000000 ] - [ 0.0003477600000000, 0.0002007800000000, -0.0238797000000000 ] - [ -0.0003477600000000, 0.0002007800000000, -0.0238797000000000 ] - [ 0.0000088600000000, 0.0000051200000000, -0.0244445100000000 ] - [ -0.0000088600000000, 0.0000051200000000, -0.0244445100000000 ] - [ 0.0000000000000000, -0.0004015600000000, -0.0238797000000000 ] - [ -0.0002387500000000, 0.0001378400000000, -0.0259575200000000 ] - [ 0.0000000000000000, -0.0000774000000000, -0.0255215400000000 ] - [ 0.0002387500000000, 0.0001378400000000, -0.0259575200000000 ] - [ 0.0000000000000000, -0.0002756800000000, -0.0259575200000000 ] - [ -0.0004330600000000, -0.0002500300000000, -0.0259915500000000 ] - [ 0.0004330600000000, -0.0002500300000000, -0.0259915500000000 ] - [ 0.0000670300000000, 0.0000387000000000, -0.0255215400000000 ] - [ -0.0000670300000000, 0.0000387000000000, -0.0255215400000000 ] - [ 0.0000000000000000, 0.0005000600000000, -0.0259915500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0541062500000000 ] - [ -0.0013624000000000, -0.0007561800000000, 0.0254218500000000 ] - [ 0.0013624000000000, -0.0007561800000000, 0.0254218500000000 ] - [ 0.0013360700000000, -0.0008017800000000, 0.0254218500000000 ] - [ -0.0013360700000000, -0.0008017800000000, 0.0254218500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0252231800000000 ] - [ -0.0000263300000000, 0.0015579600000000, 0.0254218500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0253054200000000 ] - [ 0.0000263300000000, 0.0015579600000000, 0.0254218500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0235348000000000 ] - [ 0.0006210500000000, -0.0005391400000000, 0.0241333300000000 ] - [ -0.0006210500000000, -0.0005391400000000, 0.0241333300000000 ] - [ 0.0001563800000000, 0.0008074100000000, 0.0241333300000000 ] - [ -0.0001563800000000, 0.0008074100000000, 0.0241333300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0248090600000000 ] - [ 0.0007774300000000, -0.0002682700000000, 0.0241333300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0244339600000000 ] - [ -0.0007774300000000, -0.0002682700000000, 0.0241333300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0574384700000000 ] - [ 0.0004427100000000, 0.0002766500000000, -0.0017929700000000 ] - [ -0.0004427100000000, 0.0002766500000000, -0.0017929700000000 ] - [ -0.0004609400000000, 0.0002450700000000, -0.0017929700000000 ] - [ 0.0004609400000000, 0.0002450700000000, -0.0017929700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022874000000000 ] - [ -0.0000182300000000, -0.0005217200000000, -0.0017929700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022877200000000 ] - [ 0.0000182300000000, -0.0005217200000000, -0.0017929700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0033024400000000 ] - [ -0.0001107200000000, 0.0000322900000000, -0.0032600600000000 ] - [ 0.0001107200000000, 0.0000322900000000, -0.0032600600000000 ] - [ 0.0000273900000000, -0.0001120400000000, -0.0032600600000000 ] - [ -0.0000273900000000, -0.0001120400000000, -0.0032600600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032232200000000 ] - [ -0.0000833300000000, 0.0000797400000000, -0.0032600600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032229700000000 ] - [ 0.0000833300000000, 0.0000797400000000, -0.0032600600000000 ] - [ -0.0069319300000000, 0.0040021500000000, 0.0010890600000000 ] - [ 0.0000000000000000, 0.0001094800000000, 0.0031316400000000 ] - [ 0.0069319300000000, 0.0040021500000000, 0.0010890600000000 ] - [ 0.0000000000000000, -0.0080043100000000, 0.0010890600000000 ] - [ -0.0001718800000000, -0.0000992300000000, 0.0032799900000000 ] - [ 0.0001718800000000, -0.0000992300000000, 0.0032799900000000 ] - [ -0.0000948200000000, -0.0000547400000000, 0.0031316400000000 ] - [ 0.0000948200000000, -0.0000547400000000, 0.0031316400000000 ] - [ 0.0000000000000000, 0.0001984700000000, 0.0032799900000000 ] - [ 0.0001389800000000, -0.0000802400000000, 0.0021411800000000 ] - [ 0.0000000000000000, -0.0000943900000000, 0.0022969300000000 ] - [ -0.0001389800000000, -0.0000802400000000, 0.0021411800000000 ] - [ 0.0000000000000000, 0.0001604900000000, 0.0021411800000000 ] - [ 0.0003590800000000, 0.0002073100000000, 0.0018222900000000 ] - [ -0.0003590800000000, 0.0002073100000000, 0.0018222900000000 ] - [ 0.0000817400000000, 0.0000471900000000, 0.0022969300000000 ] - [ -0.0000817400000000, 0.0000471900000000, 0.0022969300000000 ] - [ 0.0000000000000000, -0.0004146300000000, 0.0018222900000000 ] - [ 0.0000000000000000, -0.0035835800000000, -0.0027511600000000 ] - [ 0.0003799700000000, -0.0002193800000000, -0.0002829000000000 ] - [ -0.0003799700000000, -0.0002193800000000, -0.0002829000000000 ] - [ -0.0031034700000000, 0.0017917900000000, -0.0027511600000000 ] - [ 0.0031034700000000, 0.0017917900000000, -0.0027511600000000 ] - [ 0.0000000000000000, -0.0000179900000000, 0.0001001400000000 ] - [ 0.0000155800000000, 0.0000089900000000, 0.0001001400000000 ] - [ 0.0000000000000000, 0.0004387500000000, -0.0002829000000000 ] - [ -0.0000155800000000, 0.0000089900000000, 0.0001001400000000 ] - [ 0.0000000000000000, 0.0016845900000000, -0.0010066800000000 ] - [ -0.0002392400000000, 0.0001381200000000, -0.0003332400000000 ] - [ 0.0002392400000000, 0.0001381200000000, -0.0003332400000000 ] - [ 0.0014589000000000, -0.0008422900000000, -0.0010066800000000 ] - [ -0.0014589000000000, -0.0008422900000000, -0.0010066800000000 ] - [ 0.0000000000000000, -0.0001118500000000, -0.0002426000000000 ] - [ 0.0000968600000000, 0.0000559200000000, -0.0002426000000000 ] - [ 0.0000000000000000, -0.0002762500000000, -0.0003332400000000 ] - [ -0.0000968600000000, 0.0000559200000000, -0.0002426000000000 ] - [ 0.0079814900000000, -0.0046081200000000, -0.0315133800000000 ] - [ 0.0000000000000000, 0.0000113400000000, -0.0254923100000000 ] - [ -0.0079814900000000, -0.0046081200000000, -0.0315133800000000 ] - [ 0.0000000000000000, 0.0092162300000000, -0.0315133800000000 ] - [ -0.0003449700000000, -0.0001991700000000, -0.0260628900000000 ] - [ 0.0003449700000000, -0.0001991700000000, -0.0260628900000000 ] - [ -0.0000098200000000, -0.0000056700000000, -0.0254923100000000 ] - [ 0.0000098200000000, -0.0000056700000000, -0.0254923100000000 ] - [ 0.0000000000000000, 0.0003983400000000, -0.0260628900000000 ] - [ 0.0002359800000000, -0.0001362400000000, -0.0239896600000000 ] - [ 0.0000000000000000, 0.0000793500000000, -0.0244211500000000 ] - [ -0.0002359800000000, -0.0001362400000000, -0.0239896600000000 ] - [ 0.0000000000000000, 0.0002724900000000, -0.0239896600000000 ] - [ 0.0004304800000000, 0.0002485400000000, -0.0239544400000000 ] - [ -0.0004304800000000, 0.0002485400000000, -0.0239544400000000 ] - [ -0.0000687200000000, -0.0000396800000000, -0.0244211500000000 ] - [ 0.0000687200000000, -0.0000396800000000, -0.0244211500000000 ] - [ 0.0000000000000000, -0.0004970800000000, -0.0239544400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025689200000000 ] - [ 0.0013607500000000, 0.0007567900000000, 0.0245249700000000 ] - [ -0.0013607500000000, 0.0007567900000000, 0.0245249700000000 ] - [ -0.0013357800000000, 0.0008000500000000, 0.0245249700000000 ] - [ 0.0013357800000000, 0.0008000500000000, 0.0245249700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0247191500000000 ] - [ 0.0000249700000000, -0.0015568400000000, 0.0245249700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0246362200000000 ] - [ -0.0000249700000000, -0.0015568400000000, 0.0245249700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0263982100000000 ] - [ -0.0006178100000000, 0.0005434000000000, 0.0258019300000000 ] - [ 0.0006178100000000, 0.0005434000000000, 0.0258019300000000 ] - [ -0.0001616900000000, -0.0008067300000000, 0.0258019300000000 ] - [ 0.0001616900000000, -0.0008067300000000, 0.0258019300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0251275800000000 ] - [ -0.0007795000000000, 0.0002633400000000, 0.0258019300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0254973300000000 ] - [ 0.0007795000000000, 0.0002633400000000, 0.0258019300000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0019858100000000, -0.0000110300000000, -0.0027271300000000 ] - [ 0.0024069000000000, 0.0013894500000000, -0.0023254700000000 ] - [ 0.0024000000000000, -0.0013854400000000, -0.0030977700000000 ] - [ 0.0000098200000000, -0.0003568700000000, -0.0027263300000000 ] - [ 0.0000090500000000, 0.0003555400000000, -0.0026970400000000 ] - [ 0.0000003400000000, 0.0000038400000000, -0.0027122400000000 ] - [ 0.0013999000000000, -0.0019603100000000, 0.0003821900000000 ] - [ 0.0006263900000000, -0.0000012200000000, -0.0027106800000000 ] - [ 0.0014023600000000, 0.0019506400000000, -0.0057904100000000 ] - [ -0.0004694400000000, -0.0000000900000000, -0.0027084500000000 ] - [ 0.0005150600000000, 0.0002423400000000, -0.0029504700000000 ] - [ 0.0005158700000000, -0.0002421800000000, -0.0024716600000000 ] - [ -0.0000466000000000, -0.0002648200000000, -0.0028082800000000 ] - [ -0.0000468800000000, 0.0002632300000000, -0.0026148600000000 ] - [ 0.0000958700000000, 0.0000017000000000, -0.0027103500000000 ] - [ -0.0002975200000000, -0.0000983600000000, -0.0041825700000000 ] - [ 0.0004105600000000, 0.0000004300000000, -0.0027126700000000 ] - [ -0.0002950100000000, 0.0001015700000000, -0.0012499000000000 ] - [ -0.0002975200000000, 0.0000983600000000, 0.0041825700000000 ] - [ 0.0004105600000000, -0.0000004300000000, 0.0027126700000000 ] - [ -0.0002950100000000, -0.0001015700000000, 0.0012499000000000 ] - [ 0.0000958700000000, -0.0000017000000000, 0.0027103500000000 ] - [ -0.0000466000000000, 0.0002648200000000, 0.0028082800000000 ] - [ -0.0000468800000000, -0.0002632300000000, 0.0026148600000000 ] - [ 0.0005150600000000, -0.0002423400000000, 0.0029504700000000 ] - [ 0.0005158700000000, 0.0002421800000000, 0.0024716600000000 ] - [ -0.0004694400000000, 0.0000000900000000, 0.0027084500000000 ] - [ 0.0013999000000000, 0.0019603100000000, -0.0003821900000000 ] - [ 0.0006263900000000, 0.0000012200000000, 0.0027106800000000 ] - [ 0.0014023600000000, -0.0019506400000000, 0.0057904100000000 ] - [ 0.0000003400000000, -0.0000038400000000, 0.0027122400000000 ] - [ 0.0000098200000000, 0.0003568700000000, 0.0027263300000000 ] - [ 0.0000090500000000, -0.0003555400000000, 0.0026970400000000 ] - [ 0.0024069000000000, -0.0013894500000000, 0.0023254700000000 ] - [ 0.0024000000000000, 0.0013854400000000, 0.0030977700000000 ] - [ -0.0019858100000000, 0.0000110300000000, 0.0027271300000000 ] - [ -0.0349103800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0024688800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0024502800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001901300000000, -0.0013102800000000, 0.0002953900000000 ] - [ 0.0001879600000000, 0.0013113400000000, -0.0002968100000000 ] - [ 0.0003884200000000, 0.0000010900000000, -0.0000007300000000 ] - [ 0.0001879600000000, -0.0013113400000000, 0.0002968100000000 ] - [ 0.0003884200000000, -0.0000010900000000, 0.0000007300000000 ] - [ 0.0001901300000000, 0.0013102800000000, -0.0002953900000000 ] - [ -0.0008199800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002799000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002802800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000413000000000, -0.0001855500000000, -0.0000069500000000 ] - [ -0.0000419700000000, 0.0001859300000000, 0.0000070600000000 ] - [ 0.0001780000000000, 0.0000005400000000, 0.0000003900000000 ] - [ -0.0000419700000000, -0.0001859300000000, -0.0000070600000000 ] - [ 0.0001780000000000, -0.0000005400000000, -0.0000003900000000 ] - [ -0.0000413000000000, 0.0001855500000000, 0.0000069500000000 ] - [ 0.0045928800000000, 0.0011608600000000, -0.0222477000000000 ] - [ -0.0019881800000000, -0.0000001700000000, -0.0249699200000000 ] - [ 0.0044072100000000, -0.0010273100000000, -0.0274942700000000 ] - [ 0.0002641200000000, 0.0000041700000000, -0.0249687800000000 ] - [ -0.0001389500000000, -0.0010696400000000, -0.0247378700000000 ] - [ -0.0001392000000000, 0.0010655700000000, -0.0251954600000000 ] - [ -0.0010976400000000, 0.0007883200000000, -0.0250915100000000 ] - [ -0.0011017700000000, -0.0007865000000000, -0.0248438500000000 ] - [ 0.0026055800000000, 0.0000030600000000, -0.0249693100000000 ] - [ 0.0003790800000000, -0.0002755600000000, -0.0241614400000000 ] - [ -0.0005242900000000, -0.0000009200000000, -0.0249669300000000 ] - [ 0.0003770600000000, 0.0002726400000000, -0.0257759800000000 ] - [ -0.0000849400000000, 0.0000010700000000, -0.0249678600000000 ] - [ 0.0000158200000000, -0.0003125600000000, -0.0248844400000000 ] - [ 0.0000173700000000, 0.0003120400000000, -0.0250503800000000 ] - [ -0.0004119900000000, 0.0001897000000000, -0.0244894900000000 ] - [ -0.0004115200000000, -0.0001876900000000, -0.0254429100000000 ] - [ 0.0008527800000000, 0.0000033100000000, -0.0249700800000000 ] - [ 0.0008527800000000, -0.0000033100000000, 0.0249700800000000 ] - [ -0.0004119900000000, -0.0001897000000000, 0.0244894900000000 ] - [ -0.0004115200000000, 0.0001876900000000, 0.0254429100000000 ] - [ 0.0000158200000000, 0.0003125600000000, 0.0248844400000000 ] - [ 0.0000173700000000, -0.0003120400000000, 0.0250503800000000 ] - [ -0.0000849400000000, -0.0000010700000000, 0.0249678600000000 ] - [ 0.0003790800000000, 0.0002755600000000, 0.0241614400000000 ] - [ -0.0005242900000000, 0.0000009200000000, 0.0249669300000000 ] - [ 0.0003770600000000, -0.0002726400000000, 0.0257759800000000 ] - [ 0.0026055800000000, -0.0000030600000000, 0.0249693100000000 ] - [ -0.0010976400000000, -0.0007883200000000, 0.0250915100000000 ] - [ -0.0011017700000000, 0.0007865000000000, 0.0248438500000000 ] - [ -0.0001389500000000, 0.0010696400000000, 0.0247378700000000 ] - [ -0.0001392000000000, -0.0010655700000000, 0.0251954600000000 ] - [ 0.0002641200000000, -0.0000041700000000, 0.0249687800000000 ] - [ 0.0045928800000000, -0.0011608600000000, 0.0222477000000000 ] - [ -0.0019881800000000, 0.0000001700000000, 0.0249699200000000 ] - [ 0.0044072100000000, 0.0010273100000000, 0.0274942700000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0041742900000000, 0.0000368800000000 ] - [ 0.0021693800000000, 0.0012524900000000, -0.0024236300000000 ] - [ -0.0021693800000000, 0.0012524900000000, -0.0024236300000000 ] - [ -0.0000404400000000, -0.0000233500000000, -0.0028130800000000 ] - [ 0.0000404400000000, -0.0000233500000000, -0.0028130800000000 ] - [ 0.0000000000000000, -0.0025049900000000, -0.0024236300000000 ] - [ 0.0036150400000000, -0.0020871500000000, 0.0000368800000000 ] - [ 0.0000000000000000, 0.0000466900000000, -0.0028130800000000 ] - [ -0.0036150400000000, -0.0020871500000000, 0.0000368800000000 ] - [ 0.0000000000000000, -0.0001399500000000, -0.0017011900000000 ] - [ -0.0004427700000000, -0.0002556300000000, -0.0023812600000000 ] - [ 0.0004427700000000, -0.0002556300000000, -0.0023812600000000 ] - [ 0.0001771900000000, 0.0001023000000000, -0.0024719200000000 ] - [ -0.0001771900000000, 0.0001023000000000, -0.0024719200000000 ] - [ 0.0000000000000000, 0.0005112700000000, -0.0023812600000000 ] - [ -0.0001212000000000, 0.0000699700000000, -0.0017011900000000 ] - [ 0.0000000000000000, -0.0002046000000000, -0.0024719200000000 ] - [ 0.0001212000000000, 0.0000699700000000, -0.0017011900000000 ] - [ 0.0001201500000000, 0.0000693700000000, 0.0037231100000000 ] - [ 0.0000000000000000, -0.0002052500000000, 0.0029557500000000 ] - [ -0.0001201500000000, 0.0000693700000000, 0.0037231100000000 ] - [ 0.0000000000000000, 0.0005102400000000, 0.0030457600000000 ] - [ -0.0001777500000000, 0.0001026300000000, 0.0029557500000000 ] - [ 0.0001777500000000, 0.0001026300000000, 0.0029557500000000 ] - [ 0.0004418800000000, -0.0002551200000000, 0.0030457600000000 ] - [ -0.0004418800000000, -0.0002551200000000, 0.0030457600000000 ] - [ 0.0000000000000000, -0.0001387400000000, 0.0037231100000000 ] - [ -0.0035826500000000, -0.0020684400000000, 0.0054512600000000 ] - [ 0.0000000000000000, 0.0000468200000000, 0.0026150600000000 ] - [ 0.0035826500000000, -0.0020684400000000, 0.0054512600000000 ] - [ 0.0000000000000000, -0.0024904200000000, 0.0030009200000000 ] - [ 0.0000405500000000, -0.0000234100000000, 0.0026150600000000 ] - [ -0.0000405500000000, -0.0000234100000000, 0.0026150600000000 ] - [ -0.0021567700000000, 0.0012452100000000, 0.0030009200000000 ] - [ 0.0021567700000000, 0.0012452100000000, 0.0030009200000000 ] - [ 0.0000000000000000, 0.0041368800000000, 0.0054512600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0481586900000000 ] - [ -0.0000030600000000, -0.0003418400000000, -0.0009564900000000 ] - [ 0.0000030600000000, -0.0003418400000000, -0.0009564900000000 ] - [ 0.0002975700000000, 0.0001682700000000, -0.0009564900000000 ] - [ -0.0002975700000000, 0.0001682700000000, -0.0009564900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006107100000000 ] - [ 0.0002945100000000, 0.0001735700000000, -0.0009564900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006106500000000 ] - [ -0.0002945100000000, 0.0001735700000000, -0.0009564900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008847500000000 ] - [ -0.0000002100000000, 0.0000081500000000, 0.0004732700000000 ] - [ 0.0000002100000000, 0.0000081500000000, 0.0004732700000000 ] - [ -0.0000069600000000, -0.0000042500000000, 0.0004732700000000 ] - [ 0.0000069600000000, -0.0000042500000000, 0.0004732700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005218700000000 ] - [ -0.0000071600000000, -0.0000039000000000, 0.0004732700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005220100000000 ] - [ 0.0000071600000000, -0.0000039000000000, 0.0004732700000000 ] - [ 0.0010337300000000, 0.0005968300000000, -0.0200507900000000 ] - [ 0.0000000000000000, 0.0006736800000000, -0.0243943700000000 ] - [ -0.0010337300000000, 0.0005968300000000, -0.0200507900000000 ] - [ 0.0000000000000000, -0.0010185700000000, -0.0240851400000000 ] - [ 0.0005834200000000, -0.0003368400000000, -0.0243943700000000 ] - [ -0.0005834200000000, -0.0003368400000000, -0.0243943700000000 ] - [ -0.0008821100000000, 0.0005092800000000, -0.0240851400000000 ] - [ 0.0008821100000000, 0.0005092800000000, -0.0240851400000000 ] - [ 0.0000000000000000, -0.0011936500000000, -0.0200507900000000 ] - [ -0.0000313700000000, -0.0000181100000000, -0.0262897400000000 ] - [ 0.0000000000000000, -0.0001095300000000, -0.0253401400000000 ] - [ 0.0000313700000000, -0.0000181100000000, -0.0262897400000000 ] - [ 0.0000000000000000, 0.0002815100000000, -0.0257277000000000 ] - [ -0.0000948600000000, 0.0000547700000000, -0.0253401400000000 ] - [ 0.0000948600000000, 0.0000547700000000, -0.0253401400000000 ] - [ 0.0002438000000000, -0.0001407600000000, -0.0257277000000000 ] - [ -0.0002438000000000, -0.0001407600000000, -0.0257277000000000 ] - [ 0.0000000000000000, 0.0000362300000000, -0.0262897400000000 ] - [ 0.0000000000000000, 0.0000379800000000, 0.0236518500000000 ] - [ -0.0002419300000000, -0.0001396800000000, 0.0242112300000000 ] - [ 0.0002419300000000, -0.0001396800000000, 0.0242112300000000 ] - [ 0.0000945400000000, 0.0000545800000000, 0.0246000900000000 ] - [ -0.0000945400000000, 0.0000545800000000, 0.0246000900000000 ] - [ 0.0000000000000000, 0.0002793500000000, 0.0242112300000000 ] - [ 0.0000328900000000, -0.0000189900000000, 0.0236518500000000 ] - [ 0.0000000000000000, -0.0001091600000000, 0.0246000900000000 ] - [ -0.0000328900000000, -0.0000189900000000, 0.0236518500000000 ] - [ 0.0000000000000000, -0.0010215000000000, 0.0297758400000000 ] - [ 0.0008856100000000, 0.0005113100000000, 0.0258527000000000 ] - [ -0.0008856100000000, 0.0005113100000000, 0.0258527000000000 ] - [ -0.0005786400000000, -0.0003340800000000, 0.0255421100000000 ] - [ 0.0005786400000000, -0.0003340800000000, 0.0255421100000000 ] - [ 0.0000000000000000, -0.0010226200000000, 0.0258527000000000 ] - [ -0.0008846400000000, 0.0005107500000000, 0.0297758400000000 ] - [ 0.0000000000000000, 0.0006681600000000, 0.0255421100000000 ] - [ 0.0008846400000000, 0.0005107500000000, 0.0297758400000000 ]- atom: 55 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0255726100000000, -0.0126879000000000, -0.0104871800000000 ] - [ 0.0265777100000000, 0.0133555100000000, 0.0054343300000000 ] - [ -0.0025288200000000, -0.0000008900000000, -0.0027132500000000 ] - [ -0.0008053600000000, 0.0009890900000000, -0.0027042400000000 ] - [ 0.0017286400000000, -0.0000005500000000, -0.0027135800000000 ] - [ -0.0008081200000000, -0.0009995200000000, -0.0027225700000000 ] - [ 0.0035234200000000, 0.0000216100000000, -0.0027189500000000 ] - [ -0.0008429600000000, 0.0014907500000000, -0.0030609800000000 ] - [ -0.0008437500000000, -0.0014791500000000, -0.0023685000000000 ] - [ 0.0001768200000000, 0.0000275200000000, -0.0029488700000000 ] - [ 0.0001767800000000, -0.0000272300000000, -0.0024740700000000 ] - [ -0.0004685800000000, -0.0000001900000000, -0.0027118400000000 ] - [ -0.0000485800000000, 0.0002421800000000, -0.0026436200000000 ] - [ 0.0001370200000000, -0.0000006000000000, -0.0027114700000000 ] - [ -0.0000493200000000, -0.0002423800000000, -0.0027792200000000 ] - [ 0.0002242200000000, -0.0000003700000000, -0.0027107100000000 ] - [ -0.0000548700000000, 0.0001107500000000, -0.0022813000000000 ] - [ -0.0000551000000000, -0.0001109200000000, -0.0031451300000000 ] - [ 0.0057173400000000, -0.0000006900000000, 0.0026991100000000 ] - [ -0.0019608300000000, 0.0007184200000000, 0.0013469300000000 ] - [ -0.0019517100000000, -0.0007170100000000, 0.0040704300000000 ] - [ 0.0001935700000000, 0.0022913300000000, 0.0040433700000000 ] - [ 0.0001834200000000, -0.0023036000000000, 0.0013713100000000 ] - [ -0.0003377900000000, -0.0000011600000000, 0.0027123700000000 ] - [ 0.0004944700000000, 0.0003467900000000, 0.0026903200000000 ] - [ -0.0006742100000000, -0.0000003600000000, 0.0027114300000000 ] - [ 0.0004738800000000, -0.0003529100000000, 0.0027417500000000 ] - [ 0.0013110200000000, -0.0000024600000000, 0.0027136300000000 ] - [ -0.0010245000000000, -0.0004566500000000, 0.0033334700000000 ] - [ -0.0010224400000000, 0.0004593000000000, 0.0020949500000000 ] - [ 0.0002250100000000, 0.0005457300000000, 0.0028739100000000 ] - [ 0.0002214200000000, -0.0005509800000000, 0.0025557000000000 ] - [ -0.0003889900000000, -0.0000013800000000, 0.0027141400000000 ] - [ 0.0004688100000000, 0.0010372300000000, 0.0034936300000000 ] - [ -0.0013972800000000, -0.0000023900000000, 0.0027134400000000 ] - [ 0.0004739800000000, -0.0010316900000000, 0.0019369700000000 ] - [ 0.0044017200000000, 0.0010385700000000, 0.0008904600000000 ] - [ 0.0045980900000000, -0.0011497800000000, -0.0010282600000000 ] - [ -0.0019881000000000, 0.0000033600000000, 0.0000048400000000 ] - [ -0.0010967100000000, 0.0007851000000000, -0.0008818800000000 ] - [ 0.0026052400000000, -0.0000467800000000, 0.0000414100000000 ] - [ -0.0011030100000000, -0.0007906000000000, 0.0008858900000000 ] - [ 0.0002647400000000, -0.0000020800000000, -0.0000054300000000 ] - [ -0.0001374200000000, 0.0010632400000000, -0.0005805600000000 ] - [ -0.0001417900000000, -0.0010711500000000, 0.0005822300000000 ] - [ 0.0003734100000000, -0.0002727400000000, -0.0000291000000000 ] - [ 0.0003819600000000, 0.0002757600000000, 0.0000340000000000 ] - [ -0.0005243900000000, 0.0000008200000000, -0.0000008100000000 ] - [ -0.0004111200000000, 0.0001881100000000, 0.0002437000000000 ] - [ 0.0008526500000000, 0.0000019700000000, 0.0000010300000000 ] - [ -0.0004111900000000, -0.0001888100000000, -0.0002429100000000 ] - [ -0.0000847500000000, -0.0000032200000000, 0.0000022700000000 ] - [ 0.0000173600000000, 0.0003115400000000, 0.0000950400000000 ] - [ 0.0000162500000000, -0.0003133900000000, -0.0000946400000000 ] - [ -0.0786641400000000, -0.0005460700000000, -0.0252550500000000 ] - [ 0.0086207800000000, -0.0019745000000000, -0.0258890300000000 ] - [ 0.0085495600000000, 0.0019699800000000, -0.0240539600000000 ] - [ -0.0006510900000000, -0.0072820100000000, -0.0222879600000000 ] - [ -0.0006372900000000, 0.0073190000000000, -0.0276533100000000 ] - [ 0.0012558800000000, 0.0000037900000000, -0.0249659300000000 ] - [ -0.0006682000000000, -0.0033547400000000, -0.0231926800000000 ] - [ 0.0012556700000000, -0.0000003500000000, -0.0249690100000000 ] - [ -0.0006200600000000, 0.0033576300000000, -0.0267230800000000 ] - [ -0.0001575200000000, -0.0000004900000000, -0.0249728400000000 ] - [ 0.0000778900000000, -0.0000680400000000, -0.0252693300000000 ] - [ 0.0000808400000000, 0.0000648500000000, -0.0246727100000000 ] - [ -0.0000638400000000, -0.0001498700000000, -0.0249790900000000 ] - [ -0.0000663300000000, 0.0001498900000000, -0.0249622600000000 ] - [ 0.0000594700000000, 0.0000008800000000, -0.0249708300000000 ] - [ -0.0000652500000000, -0.0000153800000000, -0.0252784900000000 ] - [ 0.0000594600000000, 0.0000003100000000, -0.0249689400000000 ] - [ -0.0000649800000000, 0.0000186200000000, -0.0246653000000000 ] - [ -0.0013454100000000, 0.0007529900000000, 0.0188638900000000 ] - [ -0.0013771300000000, -0.0007687200000000, 0.0311149800000000 ] - [ 0.0018738500000000, 0.0000021300000000, 0.0249703400000000 ] - [ 0.0009058900000000, -0.0005524300000000, 0.0247548000000000 ] - [ -0.0017638800000000, 0.0000003000000000, 0.0249714300000000 ] - [ 0.0009108800000000, 0.0005624700000000, 0.0251824100000000 ] - [ -0.0000435100000000, 0.0000091200000000, 0.0249525100000000 ] - [ 0.0002802800000000, -0.0011866300000000, 0.0257493400000000 ] - [ 0.0002882100000000, 0.0011782700000000, 0.0241926200000000 ] - [ -0.0004960200000000, -0.0028740800000000, 0.0272289000000000 ] - [ -0.0004883600000000, 0.0028840500000000, 0.0226959900000000 ] - [ 0.0016839300000000, -0.0000006400000000, 0.0249662000000000 ] - [ 0.0000503700000000, -0.0009404800000000, 0.0256603500000000 ] - [ 0.0002234000000000, 0.0000070400000000, 0.0249662700000000 ] - [ 0.0000542500000000, 0.0009437000000000, 0.0242792900000000 ] - [ -0.0054788400000000, -0.0000057400000000, 0.0249666400000000 ] - [ 0.0030962400000000, -0.0016583600000000, 0.0236749100000000 ] - [ 0.0030951600000000, 0.0016583700000000, 0.0262659000000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0072810100000000, 0.0042037000000000, 0.0038642900000000 ] - [ 0.0072810100000000, 0.0042037000000000, 0.0038642900000000 ] - [ 0.0000000000000000, 0.0000856900000000, -0.0021882500000000 ] - [ -0.0000742100000000, -0.0000428500000000, -0.0021882500000000 ] - [ 0.0000000000000000, -0.0001590600000000, -0.0016227600000000 ] - [ 0.0000742100000000, -0.0000428500000000, -0.0021882500000000 ] - [ 0.0000000000000000, -0.0084073900000000, 0.0038642900000000 ] - [ -0.0001377500000000, 0.0000795300000000, -0.0016227600000000 ] - [ 0.0001377500000000, 0.0000795300000000, -0.0016227600000000 ] - [ -0.0000565300000000, 0.0000326400000000, -0.0036969400000000 ] - [ 0.0000565300000000, 0.0000326400000000, -0.0036969400000000 ] - [ 0.0000000000000000, 0.0002555600000000, -0.0032631300000000 ] - [ -0.0002213200000000, -0.0001277800000000, -0.0032631300000000 ] - [ 0.0000000000000000, -0.0002515800000000, -0.0037338600000000 ] - [ 0.0002213200000000, -0.0001277800000000, -0.0032631300000000 ] - [ 0.0000000000000000, -0.0000652800000000, -0.0036969400000000 ] - [ -0.0002178800000000, 0.0001257900000000, -0.0037338600000000 ] - [ 0.0002178800000000, 0.0001257900000000, -0.0037338600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0318190200000000 ] - [ -0.0010280400000000, 0.0003955600000000, 0.0031648300000000 ] - [ 0.0010280400000000, 0.0003955600000000, 0.0031648300000000 ] - [ 0.0001714500000000, -0.0010880900000000, 0.0031648300000000 ] - [ -0.0001714500000000, -0.0010880900000000, 0.0031648300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029659200000000 ] - [ -0.0008565900000000, 0.0006925300000000, 0.0031648300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030482800000000 ] - [ 0.0008565900000000, 0.0006925300000000, 0.0031648300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012868300000000 ] - [ 0.0008487600000000, 0.0002509400000000, 0.0018788200000000 ] - [ -0.0008487600000000, 0.0002509400000000, 0.0018788200000000 ] - [ -0.0006416900000000, 0.0006095800000000, 0.0018788200000000 ] - [ 0.0006416900000000, 0.0006095800000000, 0.0018788200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025534800000000 ] - [ 0.0002070600000000, -0.0008605100000000, 0.0018788200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021788700000000 ] - [ -0.0002070600000000, -0.0008605100000000, 0.0018788200000000 ] - [ 0.0025429400000000, 0.0014681700000000, 0.0048011700000000 ] - [ -0.0025429400000000, 0.0014681700000000, 0.0048011700000000 ] - [ 0.0000000000000000, 0.0002647100000000, 0.0005726500000000 ] - [ -0.0001225100000000, 0.0000707300000000, 0.0008832100000000 ] - [ 0.0000000000000000, -0.0029363400000000, 0.0048011700000000 ] - [ 0.0001225100000000, 0.0000707300000000, 0.0008832100000000 ] - [ 0.0000000000000000, -0.0001414700000000, 0.0008832100000000 ] - [ -0.0002292400000000, -0.0001323500000000, 0.0005726500000000 ] - [ 0.0002292400000000, -0.0001323500000000, 0.0005726500000000 ] - [ 0.0008111600000000, 0.0004683200000000, -0.0013238200000000 ] - [ -0.0008111600000000, 0.0004683200000000, -0.0013238200000000 ] - [ 0.0000000000000000, 0.0000959600000000, -0.0003697100000000 ] - [ 0.0004786500000000, -0.0002763500000000, -0.0007591500000000 ] - [ 0.0000000000000000, -0.0009366400000000, -0.0013238200000000 ] - [ -0.0004786500000000, -0.0002763500000000, -0.0007591500000000 ] - [ 0.0000000000000000, 0.0005527000000000, -0.0007591500000000 ] - [ -0.0000831000000000, -0.0000479800000000, -0.0003697100000000 ] - [ 0.0000831000000000, -0.0000479800000000, -0.0003697100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0902596300000000 ] - [ 0.0009092700000000, -0.0025591000000000, -0.0278334100000000 ] - [ -0.0009092700000000, -0.0025591000000000, -0.0278334100000000 ] - [ 0.0017616100000000, 0.0020670000000000, -0.0278334100000000 ] - [ -0.0017616100000000, 0.0020670000000000, -0.0278334100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0256637400000000 ] - [ 0.0026708800000000, 0.0004921000000000, -0.0278334100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0256680100000000 ] - [ -0.0026708800000000, 0.0004921000000000, -0.0278334100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0228257600000000 ] - [ 0.0003001100000000, 0.0001813100000000, -0.0238187400000000 ] - [ -0.0003001100000000, 0.0001813100000000, -0.0238187400000000 ] - [ -0.0003070700000000, 0.0001692500000000, -0.0238187400000000 ] - [ 0.0003070700000000, 0.0001692500000000, -0.0238187400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0242126700000000 ] - [ -0.0000069600000000, -0.0003505600000000, -0.0238187400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0242106200000000 ] - [ 0.0000069600000000, -0.0003505600000000, -0.0238187400000000 ] - [ -0.0061548400000000, 0.0035535000000000, 0.0269440200000000 ] - [ 0.0061548400000000, 0.0035535000000000, 0.0269440200000000 ] - [ 0.0000000000000000, 0.0002466500000000, 0.0250027400000000 ] - [ -0.0002136100000000, -0.0001233300000000, 0.0250027400000000 ] - [ 0.0000000000000000, 0.0008987400000000, 0.0247364900000000 ] - [ 0.0002136100000000, -0.0001233300000000, 0.0250027400000000 ] - [ 0.0000000000000000, -0.0071070000000000, 0.0269440200000000 ] - [ 0.0007783300000000, -0.0004493700000000, 0.0247364900000000 ] - [ -0.0007783300000000, -0.0004493700000000, 0.0247364900000000 ] - [ 0.0022538900000000, -0.0013012800000000, 0.0277089000000000 ] - [ -0.0022538900000000, -0.0013012800000000, 0.0277089000000000 ] - [ 0.0000000000000000, -0.0007978300000000, 0.0249960100000000 ] - [ 0.0006909400000000, 0.0003989100000000, 0.0249960100000000 ] - [ 0.0000000000000000, -0.0014961600000000, 0.0269944900000000 ] - [ -0.0006909400000000, 0.0003989100000000, 0.0249960100000000 ] - [ 0.0000000000000000, 0.0026025700000000, 0.0277089000000000 ] - [ -0.0012957100000000, 0.0007480800000000, 0.0269944900000000 ] - [ 0.0012957100000000, 0.0007480800000000, 0.0269944900000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0072322000000000, -0.0041755100000000, -0.0093138700000000 ] - [ -0.0072322000000000, -0.0041755100000000, -0.0093138700000000 ] - [ 0.0000000000000000, -0.0000867800000000, -0.0032365900000000 ] - [ 0.0000751500000000, 0.0000433900000000, -0.0032365900000000 ] - [ 0.0000000000000000, 0.0001580800000000, -0.0038061400000000 ] - [ -0.0000751500000000, 0.0000433900000000, -0.0032365900000000 ] - [ 0.0000000000000000, 0.0083510200000000, -0.0093138700000000 ] - [ 0.0001369000000000, -0.0000790400000000, -0.0038061400000000 ] - [ -0.0001369000000000, -0.0000790400000000, -0.0038061400000000 ] - [ 0.0000605000000000, -0.0000349300000000, -0.0017295000000000 ] - [ -0.0000605000000000, -0.0000349300000000, -0.0017295000000000 ] - [ 0.0000000000000000, -0.0002559500000000, -0.0021632000000000 ] - [ 0.0002216600000000, 0.0001279700000000, -0.0021632000000000 ] - [ 0.0000000000000000, 0.0002474400000000, -0.0016969400000000 ] - [ -0.0002216600000000, 0.0001279700000000, -0.0021632000000000 ] - [ 0.0000000000000000, 0.0000698600000000, -0.0017295000000000 ] - [ 0.0002142900000000, -0.0001237200000000, -0.0016969400000000 ] - [ -0.0002142900000000, -0.0001237200000000, -0.0016969400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0248549700000000 ] - [ 0.0010257800000000, -0.0003968500000000, 0.0022676900000000 ] - [ -0.0010257800000000, -0.0003968500000000, 0.0022676900000000 ] - [ -0.0001692100000000, 0.0010867800000000, 0.0022676900000000 ] - [ 0.0001692100000000, 0.0010867800000000, 0.0022676900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024610300000000 ] - [ 0.0008565800000000, -0.0006899300000000, 0.0022676900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023785200000000 ] - [ -0.0008565800000000, -0.0006899300000000, 0.0022676900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0041497200000000 ] - [ -0.0008542400000000, -0.0002465900000000, 0.0035472500000000 ] - [ 0.0008542400000000, -0.0002465900000000, 0.0035472500000000 ] - [ 0.0006406700000000, -0.0006165000000000, 0.0035472500000000 ] - [ -0.0006406700000000, -0.0006165000000000, 0.0035472500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028717400000000 ] - [ -0.0002135700000000, 0.0008630800000000, 0.0035472500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032422500000000 ] - [ 0.0002135700000000, 0.0008630800000000, 0.0035472500000000 ] - [ -0.0027023600000000, -0.0015602100000000, -0.0049241900000000 ] - [ 0.0027023600000000, -0.0015602100000000, -0.0049241900000000 ] - [ 0.0000000000000000, -0.0002646400000000, -0.0005744700000000 ] - [ 0.0001251500000000, -0.0000722500000000, -0.0008854500000000 ] - [ 0.0000000000000000, 0.0031204200000000, -0.0049241900000000 ] - [ -0.0001251500000000, -0.0000722500000000, -0.0008854500000000 ] - [ 0.0000000000000000, 0.0001445100000000, -0.0008854500000000 ] - [ 0.0002291800000000, 0.0001323200000000, -0.0005744700000000 ] - [ -0.0002291800000000, 0.0001323200000000, -0.0005744700000000 ] - [ -0.0008047300000000, -0.0004646100000000, 0.0013152300000000 ] - [ 0.0008047300000000, -0.0004646100000000, 0.0013152300000000 ] - [ 0.0000000000000000, -0.0000952700000000, 0.0003713700000000 ] - [ -0.0004755700000000, 0.0002745700000000, 0.0007574900000000 ] - [ 0.0000000000000000, 0.0009292200000000, 0.0013152300000000 ] - [ 0.0004755700000000, 0.0002745700000000, 0.0007574900000000 ] - [ 0.0000000000000000, -0.0005491400000000, 0.0007574900000000 ] - [ 0.0000825000000000, 0.0000476300000000, 0.0003713700000000 ] - [ -0.0000825000000000, 0.0000476300000000, 0.0003713700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0391657400000000 ] - [ -0.0009260600000000, 0.0025767600000000, -0.0220890400000000 ] - [ 0.0009260600000000, 0.0025767600000000, -0.0220890400000000 ] - [ -0.0017685100000000, -0.0020903700000000, -0.0220890400000000 ] - [ 0.0017685100000000, -0.0020903700000000, -0.0220890400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0242695700000000 ] - [ -0.0026945700000000, -0.0004863900000000, -0.0220890400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0242740200000000 ] - [ 0.0026945700000000, -0.0004863900000000, -0.0220890400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0271169600000000 ] - [ -0.0002967100000000, -0.0001825300000000, -0.0261184200000000 ] - [ 0.0002967100000000, -0.0001825300000000, -0.0261184200000000 ] - [ 0.0003064300000000, -0.0001656900000000, -0.0261184200000000 ] - [ -0.0003064300000000, -0.0001656900000000, -0.0261184200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0257251700000000 ] - [ 0.0000097200000000, 0.0003482200000000, -0.0261184200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0257233800000000 ] - [ -0.0000097200000000, 0.0003482200000000, -0.0261184200000000 ] - [ 0.0060972300000000, -0.0035202300000000, 0.0230009900000000 ] - [ -0.0060972300000000, -0.0035202300000000, 0.0230009900000000 ] - [ 0.0000000000000000, -0.0002473000000000, 0.0249325000000000 ] - [ 0.0002141700000000, 0.0001236500000000, 0.0249325000000000 ] - [ 0.0000000000000000, -0.0008993500000000, 0.0251984400000000 ] - [ -0.0002141700000000, 0.0001236500000000, 0.0249325000000000 ] - [ 0.0000000000000000, 0.0070404700000000, 0.0230009900000000 ] - [ -0.0007788600000000, 0.0004496800000000, 0.0251984400000000 ] - [ 0.0007788600000000, 0.0004496800000000, 0.0251984400000000 ] - [ -0.0022789100000000, 0.0013157300000000, 0.0222108700000000 ] - [ 0.0022789100000000, 0.0013157300000000, 0.0222108700000000 ] - [ 0.0000000000000000, 0.0007969100000000, 0.0249448900000000 ] - [ -0.0006901500000000, -0.0003984600000000, 0.0249448900000000 ] - [ 0.0000000000000000, 0.0014957200000000, 0.0229486200000000 ] - [ 0.0006901500000000, -0.0003984600000000, 0.0249448900000000 ] - [ 0.0000000000000000, -0.0026314600000000, 0.0222108700000000 ] - [ 0.0012953300000000, -0.0007478600000000, 0.0229486200000000 ] - [ -0.0012953300000000, -0.0007478600000000, 0.0229486200000000 ]