# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/f25e1851-8871-44c0-91f0-626c09ed6361/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 Sr(CdP)2 / P-3m1 (164) / materials id 8277](https://mdr.nims.go.jp/datasets/d1a745bb-4aa8-4a84-bbd5-94f3c3666320) ## 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: - [ 4.310271260000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.155135630000000, 3.732804410000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 7.171030300000000 ] # c points: - symbol: P # 1 coordinates: [ 0.666666670000000, 0.333333330000000, 0.251639630000000 ] mass: 30.973762 - symbol: P # 2 coordinates: [ 0.333333330000000, 0.666666670000000, 0.748360370000000 ] mass: 30.973762 - symbol: Sr # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 87.620000 - symbol: Cd # 4 coordinates: [ 0.333333330000000, 0.666666670000000, 0.365049460000000 ] mass: 112.411000 - symbol: Cd # 5 coordinates: [ 0.666666670000000, 0.333333330000000, 0.634950540000000 ] mass: 112.411000 reciprocal_lattice: # without 2pi - [ 0.232003959769344, 0.133947548567111, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.267895097134221, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.139449975549539 ] # c*unit_cell: lattice: - [ 4.310271260000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.155135630000000, 3.732804410000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 7.171030300000000 ] # c points: - symbol: P # 1 coordinates: [ 0.666666670000000, 0.333333330000000, 0.251639630000000 ] mass: 30.973762 reduced_to: 1 - symbol: P # 2 coordinates: [ 0.333333330000000, 0.666666670000000, 0.748360370000000 ] mass: 30.973762 reduced_to: 2 - symbol: Sr # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 87.620000 reduced_to: 3 - symbol: Cd # 4 coordinates: [ 0.333333330000000, 0.666666670000000, 0.365049460000000 ] mass: 112.411000 reduced_to: 4 - symbol: Cd # 5 coordinates: [ 0.666666670000000, 0.333333330000000, 0.634950540000000 ] mass: 112.411000 reduced_to: 5supercell: lattice: - [ 12.930813780000001, 0.000000000000000, 0.000000000000000 ] # a - [ -6.465406890000001, 11.198413230000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.342060600000000 ] # c points: - symbol: P # 1 coordinates: [ 0.222222223333333, 0.111111110000000, 0.125819815000000 ] mass: 30.973762 reduced_to: 1 - symbol: P # 2 coordinates: [ 0.555555556666667, 0.111111110000000, 0.125819815000000 ] mass: 30.973762 reduced_to: 1 - symbol: P # 3 coordinates: [ 0.888888890000000, 0.111111110000000, 0.125819815000000 ] mass: 30.973762 reduced_to: 1 - symbol: P # 4 coordinates: [ 0.222222223333333, 0.444444443333333, 0.125819815000000 ] mass: 30.973762 reduced_to: 1 - symbol: P # 5 coordinates: [ 0.555555556666667, 0.444444443333333, 0.125819815000000 ] mass: 30.973762 reduced_to: 1 - symbol: P # 6 coordinates: [ 0.888888890000000, 0.444444443333333, 0.125819815000000 ] mass: 30.973762 reduced_to: 1 - symbol: P # 7 coordinates: [ 0.222222223333333, 0.777777776666667, 0.125819815000000 ] mass: 30.973762 reduced_to: 1 - symbol: P # 8 coordinates: [ 0.555555556666667, 0.777777776666667, 0.125819815000000 ] mass: 30.973762 reduced_to: 1 - symbol: P # 9 coordinates: [ 0.888888890000000, 0.777777776666667, 0.125819815000000 ] mass: 30.973762 reduced_to: 1 - symbol: P # 10 coordinates: [ 0.222222223333333, 0.111111110000000, 0.625819815000000 ] mass: 30.973762 reduced_to: 1 - symbol: P # 11 coordinates: [ 0.555555556666667, 0.111111110000000, 0.625819815000000 ] mass: 30.973762 reduced_to: 1 - symbol: P # 12 coordinates: [ 0.888888890000000, 0.111111110000000, 0.625819815000000 ] mass: 30.973762 reduced_to: 1 - symbol: P # 13 coordinates: [ 0.222222223333333, 0.444444443333333, 0.625819815000000 ] mass: 30.973762 reduced_to: 1 - symbol: P # 14 coordinates: [ 0.555555556666667, 0.444444443333333, 0.625819815000000 ] mass: 30.973762 reduced_to: 1 - symbol: P # 15 coordinates: [ 0.888888890000000, 0.444444443333333, 0.625819815000000 ] mass: 30.973762 reduced_to: 1 - symbol: P # 16 coordinates: [ 0.222222223333333, 0.777777776666667, 0.625819815000000 ] mass: 30.973762 reduced_to: 1 - symbol: P # 17 coordinates: [ 0.555555556666667, 0.777777776666667, 0.625819815000000 ] mass: 30.973762 reduced_to: 1 - symbol: P # 18 coordinates: [ 0.888888890000000, 0.777777776666667, 0.625819815000000 ] mass: 30.973762 reduced_to: 1 - symbol: P # 19 coordinates: [ 0.111111110000000, 0.222222223333333, 0.374180185000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 20 coordinates: [ 0.444444443333333, 0.222222223333333, 0.374180185000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 21 coordinates: [ 0.777777776666667, 0.222222223333333, 0.374180185000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 22 coordinates: [ 0.111111110000000, 0.555555556666667, 0.374180185000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 23 coordinates: [ 0.444444443333333, 0.555555556666667, 0.374180185000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 24 coordinates: [ 0.777777776666667, 0.555555556666667, 0.374180185000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 25 coordinates: [ 0.111111110000000, 0.888888890000000, 0.374180185000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 26 coordinates: [ 0.444444443333333, 0.888888890000000, 0.374180185000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 27 coordinates: [ 0.777777776666667, 0.888888890000000, 0.374180185000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 28 coordinates: [ 0.111111110000000, 0.222222223333333, 0.874180185000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 29 coordinates: [ 0.444444443333333, 0.222222223333333, 0.874180185000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 30 coordinates: [ 0.777777776666667, 0.222222223333333, 0.874180185000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 31 coordinates: [ 0.111111110000000, 0.555555556666667, 0.874180185000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 32 coordinates: [ 0.444444443333333, 0.555555556666667, 0.874180185000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 33 coordinates: [ 0.777777776666667, 0.555555556666667, 0.874180185000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 34 coordinates: [ 0.111111110000000, 0.888888890000000, 0.874180185000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 35 coordinates: [ 0.444444443333333, 0.888888890000000, 0.874180185000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 36 coordinates: [ 0.777777776666667, 0.888888890000000, 0.874180185000000 ] mass: 30.973762 reduced_to: 19 - symbol: Sr # 37 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 87.620000 reduced_to: 37 - symbol: Sr # 38 coordinates: [ 0.333333333333333, 0.000000000000000, 0.000000000000000 ] mass: 87.620000 reduced_to: 37 - symbol: Sr # 39 coordinates: [ 0.666666666666667, 0.000000000000000, 0.000000000000000 ] mass: 87.620000 reduced_to: 37 - symbol: Sr # 40 coordinates: [ 0.000000000000000, 0.333333333333333, 0.000000000000000 ] mass: 87.620000 reduced_to: 37 - symbol: Sr # 41 coordinates: [ 0.333333333333333, 0.333333333333333, 0.000000000000000 ] mass: 87.620000 reduced_to: 37 - symbol: Sr # 42 coordinates: [ 0.666666666666667, 0.333333333333333, 0.000000000000000 ] mass: 87.620000 reduced_to: 37 - symbol: Sr # 43 coordinates: [ 0.000000000000000, 0.666666666666667, 0.000000000000000 ] mass: 87.620000 reduced_to: 37 - symbol: Sr # 44 coordinates: [ 0.333333333333333, 0.666666666666667, 0.000000000000000 ] mass: 87.620000 reduced_to: 37 - symbol: Sr # 45 coordinates: [ 0.666666666666667, 0.666666666666667, 0.000000000000000 ] mass: 87.620000 reduced_to: 37 - symbol: Sr # 46 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 87.620000 reduced_to: 37 - symbol: Sr # 47 coordinates: [ 0.333333333333333, 0.000000000000000, 0.500000000000000 ] mass: 87.620000 reduced_to: 37 - symbol: Sr # 48 coordinates: [ 0.666666666666667, 0.000000000000000, 0.500000000000000 ] mass: 87.620000 reduced_to: 37 - symbol: Sr # 49 coordinates: [ 0.000000000000000, 0.333333333333333, 0.500000000000000 ] mass: 87.620000 reduced_to: 37 - symbol: Sr # 50 coordinates: [ 0.333333333333333, 0.333333333333333, 0.500000000000000 ] mass: 87.620000 reduced_to: 37 - symbol: Sr # 51 coordinates: [ 0.666666666666667, 0.333333333333333, 0.500000000000000 ] mass: 87.620000 reduced_to: 37 - symbol: Sr # 52 coordinates: [ 0.000000000000000, 0.666666666666667, 0.500000000000000 ] mass: 87.620000 reduced_to: 37 - symbol: Sr # 53 coordinates: [ 0.333333333333333, 0.666666666666667, 0.500000000000000 ] mass: 87.620000 reduced_to: 37 - symbol: Sr # 54 coordinates: [ 0.666666666666667, 0.666666666666667, 0.500000000000000 ] mass: 87.620000 reduced_to: 37 - symbol: Cd # 55 coordinates: [ 0.111111110000000, 0.222222223333333, 0.182524730000000 ] mass: 112.411000 reduced_to: 55 - symbol: Cd # 56 coordinates: [ 0.444444443333333, 0.222222223333333, 0.182524730000000 ] mass: 112.411000 reduced_to: 55 - symbol: Cd # 57 coordinates: [ 0.777777776666667, 0.222222223333333, 0.182524730000000 ] mass: 112.411000 reduced_to: 55 - symbol: Cd # 58 coordinates: [ 0.111111110000000, 0.555555556666667, 0.182524730000000 ] mass: 112.411000 reduced_to: 55 - symbol: Cd # 59 coordinates: [ 0.444444443333333, 0.555555556666667, 0.182524730000000 ] mass: 112.411000 reduced_to: 55 - symbol: Cd # 60 coordinates: [ 0.777777776666667, 0.555555556666667, 0.182524730000000 ] mass: 112.411000 reduced_to: 55 - symbol: Cd # 61 coordinates: [ 0.111111110000000, 0.888888890000000, 0.182524730000000 ] mass: 112.411000 reduced_to: 55 - symbol: Cd # 62 coordinates: [ 0.444444443333333, 0.888888890000000, 0.182524730000000 ] mass: 112.411000 reduced_to: 55 - symbol: Cd # 63 coordinates: [ 0.777777776666667, 0.888888890000000, 0.182524730000000 ] mass: 112.411000 reduced_to: 55 - symbol: Cd # 64 coordinates: [ 0.111111110000000, 0.222222223333333, 0.682524730000000 ] mass: 112.411000 reduced_to: 55 - symbol: Cd # 65 coordinates: [ 0.444444443333333, 0.222222223333333, 0.682524730000000 ] mass: 112.411000 reduced_to: 55 - symbol: Cd # 66 coordinates: [ 0.777777776666667, 0.222222223333333, 0.682524730000000 ] mass: 112.411000 reduced_to: 55 - symbol: Cd # 67 coordinates: [ 0.111111110000000, 0.555555556666667, 0.682524730000000 ] mass: 112.411000 reduced_to: 55 - symbol: Cd # 68 coordinates: [ 0.444444443333333, 0.555555556666667, 0.682524730000000 ] mass: 112.411000 reduced_to: 55 - symbol: Cd # 69 coordinates: [ 0.777777776666667, 0.555555556666667, 0.682524730000000 ] mass: 112.411000 reduced_to: 55 - symbol: Cd # 70 coordinates: [ 0.111111110000000, 0.888888890000000, 0.682524730000000 ] mass: 112.411000 reduced_to: 55 - symbol: Cd # 71 coordinates: [ 0.444444443333333, 0.888888890000000, 0.682524730000000 ] mass: 112.411000 reduced_to: 55 - symbol: Cd # 72 coordinates: [ 0.777777776666667, 0.888888890000000, 0.682524730000000 ] mass: 112.411000 reduced_to: 55 - symbol: Cd # 73 coordinates: [ 0.222222223333333, 0.111111110000000, 0.317475270000000 ] mass: 112.411000 reduced_to: 73 - symbol: Cd # 74 coordinates: [ 0.555555556666667, 0.111111110000000, 0.317475270000000 ] mass: 112.411000 reduced_to: 73 - symbol: Cd # 75 coordinates: [ 0.888888890000000, 0.111111110000000, 0.317475270000000 ] mass: 112.411000 reduced_to: 73 - symbol: Cd # 76 coordinates: [ 0.222222223333333, 0.444444443333333, 0.317475270000000 ] mass: 112.411000 reduced_to: 73 - symbol: Cd # 77 coordinates: [ 0.555555556666667, 0.444444443333333, 0.317475270000000 ] mass: 112.411000 reduced_to: 73 - symbol: Cd # 78 coordinates: [ 0.888888890000000, 0.444444443333333, 0.317475270000000 ] mass: 112.411000 reduced_to: 73 - symbol: Cd # 79 coordinates: [ 0.222222223333333, 0.777777776666667, 0.317475270000000 ] mass: 112.411000 reduced_to: 73 - symbol: Cd # 80 coordinates: [ 0.555555556666667, 0.777777776666667, 0.317475270000000 ] mass: 112.411000 reduced_to: 73 - symbol: Cd # 81 coordinates: [ 0.888888890000000, 0.777777776666667, 0.317475270000000 ] mass: 112.411000 reduced_to: 73 - symbol: Cd # 82 coordinates: [ 0.222222223333333, 0.111111110000000, 0.817475270000000 ] mass: 112.411000 reduced_to: 73 - symbol: Cd # 83 coordinates: [ 0.555555556666667, 0.111111110000000, 0.817475270000000 ] mass: 112.411000 reduced_to: 73 - symbol: Cd # 84 coordinates: [ 0.888888890000000, 0.111111110000000, 0.817475270000000 ] mass: 112.411000 reduced_to: 73 - symbol: Cd # 85 coordinates: [ 0.222222223333333, 0.444444443333333, 0.817475270000000 ] mass: 112.411000 reduced_to: 73 - symbol: Cd # 86 coordinates: [ 0.555555556666667, 0.444444443333333, 0.817475270000000 ] mass: 112.411000 reduced_to: 73 - symbol: Cd # 87 coordinates: [ 0.888888890000000, 0.444444443333333, 0.817475270000000 ] mass: 112.411000 reduced_to: 73 - symbol: Cd # 88 coordinates: [ 0.222222223333333, 0.777777776666667, 0.817475270000000 ] mass: 112.411000 reduced_to: 73 - symbol: Cd # 89 coordinates: [ 0.555555556666667, 0.777777776666667, 0.817475270000000 ] mass: 112.411000 reduced_to: 73 - symbol: Cd # 90 coordinates: [ 0.888888890000000, 0.777777776666667, 0.817475270000000 ] mass: 112.411000 reduced_to: 73born_effective_charge:- # 1 (P) - [ -3.742649840000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -3.742649840000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -3.411510420000000 ]- # 2 (P) - [ -3.742649840000001, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -3.742649840000001, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -3.411510420000001 ]- # 3 (Sr) - [ 2.507329400000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.507329400000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.320493490000000 ]- # 4 (Cd) - [ 2.488985140000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.488985140000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.751263680000000 ]- # 5 (Cd) - [ 2.488985140000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.488985140000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.751263680000001 ]dielectric_constant: - [ 20.483580210000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 20.483580210000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 13.704886080000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0772762700000000, -0.0004655300000000, 0.0139753100000000 ] - [ 0.0066625000000000, 0.0006151400000000, 0.0143605900000000 ] - [ 0.0065977000000000, -0.0006217300000000, 0.0138930000000000 ] - [ 0.0015218200000000, -0.0023199000000000, 0.0141130600000000 ] - [ 0.0015205100000000, 0.0023305500000000, 0.0141433700000000 ] - [ 0.0003392200000000, 0.0000032200000000, 0.0141247600000000 ] - [ 0.0015274100000000, -0.0035747400000000, 0.0143453100000000 ] - [ 0.0003288700000000, -0.0000048800000000, 0.0141264600000000 ] - [ 0.0015251700000000, 0.0035672000000000, 0.0139079300000000 ] - [ -0.0001290700000000, -0.0000001100000000, 0.0141218600000000 ] - [ 0.0003272500000000, -0.0001077600000000, 0.0141837600000000 ] - [ 0.0003268000000000, 0.0001014700000000, 0.0140618100000000 ] - [ -0.0000567600000000, -0.0003166600000000, 0.0141413600000000 ] - [ -0.0000613000000000, 0.0003263300000000, 0.0141086000000000 ] - [ 0.0001913500000000, 0.0000029400000000, 0.0141230900000000 ] - [ -0.0000524800000000, -0.0001230600000000, 0.0142013400000000 ] - [ 0.0001809600000000, -0.0000033200000000, 0.0141241600000000 ] - [ -0.0000551300000000, 0.0001195700000000, 0.0140466200000000 ] - [ 0.0009927300000000, -0.0009307600000000, -0.0176593100000000 ] - [ 0.0009979800000000, 0.0009401400000000, -0.0105757100000000 ] - [ 0.0002917800000000, 0.0000035200000000, -0.0141253200000000 ] - [ 0.0000651800000000, -0.0001336900000000, -0.0139986900000000 ] - [ -0.0001254900000000, -0.0000030800000000, -0.0141248700000000 ] - [ 0.0000695900000000, 0.0001254500000000, -0.0142521000000000 ] - [ -0.0006248100000000, 0.0000044400000000, -0.0141326600000000 ] - [ 0.0001840200000000, -0.0001760100000000, -0.0138052600000000 ] - [ 0.0001849700000000, 0.0001819600000000, -0.0144411300000000 ] - [ -0.0000922300000000, -0.0003211300000000, -0.0133022100000000 ] - [ -0.0000865800000000, 0.0003256900000000, -0.0149495400000000 ] - [ 0.0001918700000000, 0.0000041700000000, -0.0141272800000000 ] - [ 0.0000061000000000, -0.0001098000000000, -0.0140973500000000 ] - [ 0.0001444000000000, -0.0000023800000000, -0.0141238700000000 ] - [ 0.0000110400000000, 0.0001018600000000, -0.0141529600000000 ] - [ -0.0006495000000000, 0.0000003100000000, -0.0141201400000000 ] - [ 0.0011843200000000, -0.0005981400000000, -0.0147564300000000 ] - [ 0.0011806700000000, 0.0006005700000000, -0.0134930400000000 ] - [ 0.0069281600000000, 0.0033974300000000, 0.0039467700000000 ] - [ 0.0071127000000000, -0.0035301600000000, -0.0041473900000000 ] - [ -0.0012737400000000, 0.0000010000000000, 0.0000005400000000 ] - [ -0.0000001000000000, 0.0003509600000000, -0.0004174100000000 ] - [ 0.0010215800000000, -0.0000171400000000, 0.0000106800000000 ] - [ 0.0000044600000000, -0.0003536800000000, 0.0004165300000000 ] - [ 0.0006124500000000, -0.0000015000000000, -0.0000001100000000 ] - [ -0.0002879000000000, 0.0005693800000000, -0.0000293000000000 ] - [ -0.0002902300000000, -0.0005677000000000, 0.0000229300000000 ] - [ 0.0001077900000000, -0.0005869100000000, 0.0003686700000000 ] - [ 0.0001146100000000, 0.0005885600000000, -0.0003651200000000 ] - [ -0.0003594500000000, 0.0000000800000000, 0.0000003200000000 ] - [ -0.0005056400000000, 0.0003025100000000, 0.0001924000000000 ] - [ 0.0011292700000000, 0.0000016200000000, 0.0000003700000000 ] - [ -0.0005034800000000, -0.0003007300000000, -0.0001894000000000 ] - [ 0.0000178800000000, -0.0000037900000000, 0.0000012900000000 ] - [ -0.0000247100000000, 0.0001920700000000, -0.0000838300000000 ] - [ -0.0000268200000000, -0.0001934100000000, 0.0000846900000000 ] - [ 0.0201933000000000, -0.0100856900000000, -0.0063510400000000 ] - [ 0.0209638900000000, 0.0106387000000000, 0.0063071800000000 ] - [ -0.0018082900000000, 0.0000023500000000, -0.0002339800000000 ] - [ -0.0004658000000000, 0.0007704800000000, -0.0004795500000000 ] - [ 0.0006275400000000, -0.0000051100000000, -0.0001919700000000 ] - [ -0.0004506800000000, -0.0007885900000000, 0.0000574100000000 ] - [ 0.0026335500000000, 0.0000575900000000, -0.0001949600000000 ] - [ -0.0003835000000000, 0.0005921000000000, -0.0004768000000000 ] - [ -0.0003744400000000, -0.0005701300000000, 0.0000904300000000 ] - [ 0.0001131600000000, -0.0000992600000000, -0.0003370200000000 ] - [ 0.0001260900000000, 0.0000988400000000, -0.0000831700000000 ] - [ -0.0002311200000000, 0.0000078600000000, -0.0002281700000000 ] - [ -0.0001327500000000, 0.0000498400000000, -0.0001999400000000 ] - [ 0.0001967000000000, -0.0000050700000000, -0.0001929700000000 ] - [ -0.0001233200000000, -0.0000693200000000, -0.0002215300000000 ] - [ -0.0000519200000000, 0.0000052000000000, -0.0001917200000000 ] - [ 0.0000593500000000, 0.0000852400000000, -0.0000200600000000 ] - [ 0.0000669800000000, -0.0000689200000000, -0.0003634600000000 ] - [ 0.0000513700000000, -0.0000037600000000, 0.0001443200000000 ] - [ -0.0007874400000000, 0.0002138100000000, -0.0005072800000000 ] - [ -0.0007849800000000, -0.0002304400000000, 0.0008858400000000 ] - [ -0.0000306400000000, 0.0007302300000000, 0.0003617200000000 ] - [ -0.0000400700000000, -0.0007077000000000, 0.0000626700000000 ] - [ 0.0000130300000000, 0.0000034500000000, 0.0001926800000000 ] - [ 0.0000286400000000, 0.0001792600000000, -0.0003374600000000 ] - [ -0.0003380100000000, -0.0000076000000000, 0.0002287600000000 ] - [ 0.0000101700000000, -0.0001801900000000, 0.0007564000000000 ] - [ 0.0003459700000000, -0.0000037400000000, 0.0001924600000000 ] - [ -0.0001577800000000, -0.0000624200000000, 0.0001942800000000 ] - [ -0.0001502100000000, 0.0000450000000000, 0.0001917300000000 ] - [ 0.0000088400000000, 0.0002562800000000, 0.0002620300000000 ] - [ -0.0000025300000000, -0.0002375000000000, 0.0001604400000000 ] - [ 0.0000231000000000, 0.0000039600000000, 0.0001936200000000 ] - [ 0.0001927100000000, 0.0000407500000000, 0.0002634100000000 ] - [ -0.0006394100000000, -0.0000075500000000, 0.0002292900000000 ] - [ 0.0001770400000000, -0.0000383700000000, 0.0001592400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0411096300000000 ] - [ -0.0002336500000000, -0.0001182300000000, 0.0130997000000000 ] - [ 0.0002336500000000, -0.0001182300000000, 0.0130997000000000 ] - [ 0.0002192200000000, -0.0001432300000000, 0.0130997000000000 ] - [ -0.0002192200000000, -0.0001432300000000, 0.0130997000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0138790600000000 ] - [ -0.0000144300000000, 0.0002614600000000, 0.0130997000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0138812400000000 ] - [ 0.0000144300000000, 0.0002614600000000, 0.0130997000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0151466000000000 ] - [ -0.0000586100000000, -0.0000557800000000, 0.0150915700000000 ] - [ 0.0000586100000000, -0.0000557800000000, 0.0150915700000000 ] - [ 0.0000776100000000, -0.0000228700000000, 0.0150915700000000 ] - [ -0.0000776100000000, -0.0000228700000000, 0.0150915700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0147439900000000 ] - [ 0.0000190000000000, 0.0000786400000000, 0.0150915700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0147458000000000 ] - [ -0.0000190000000000, 0.0000786400000000, 0.0150915700000000 ] - [ -0.0035556400000000, 0.0020528500000000, -0.0091759700000000 ] - [ 0.0035556400000000, 0.0020528500000000, -0.0091759700000000 ] - [ 0.0000000000000000, -0.0001410100000000, -0.0144569400000000 ] - [ 0.0001221100000000, 0.0000705000000000, -0.0144569400000000 ] - [ 0.0000000000000000, 0.0003657800000000, -0.0142800700000000 ] - [ -0.0001221100000000, 0.0000705000000000, -0.0144569400000000 ] - [ 0.0000000000000000, -0.0041057000000000, -0.0091759700000000 ] - [ 0.0003167700000000, -0.0001828900000000, -0.0142800700000000 ] - [ -0.0003167700000000, -0.0001828900000000, -0.0142800700000000 ] - [ 0.0008193400000000, -0.0004730500000000, -0.0122583600000000 ] - [ -0.0008193400000000, -0.0004730500000000, -0.0122583600000000 ] - [ 0.0000000000000000, -0.0000267400000000, -0.0138218200000000 ] - [ 0.0000231600000000, 0.0000133700000000, -0.0138218200000000 ] - [ 0.0000000000000000, -0.0007309400000000, -0.0132578300000000 ] - [ -0.0000231600000000, 0.0000133700000000, -0.0138218200000000 ] - [ 0.0000000000000000, 0.0009461000000000, -0.0122583600000000 ] - [ -0.0006330200000000, 0.0003654700000000, -0.0132578300000000 ] - [ 0.0006330200000000, 0.0003654700000000, -0.0132578300000000 ] - [ 0.0035413100000000, 0.0020445800000000, 0.0043083300000000 ] - [ -0.0035413100000000, 0.0020445800000000, 0.0043083300000000 ] - [ 0.0000000000000000, 0.0001147600000000, 0.0002197800000000 ] - [ -0.0002522600000000, 0.0001456400000000, 0.0003512900000000 ] - [ 0.0000000000000000, -0.0040891600000000, 0.0043083300000000 ] - [ 0.0002522600000000, 0.0001456400000000, 0.0003512900000000 ] - [ 0.0000000000000000, -0.0002912800000000, 0.0003512900000000 ] - [ -0.0000993800000000, -0.0000573800000000, 0.0002197800000000 ] - [ 0.0000993800000000, -0.0000573800000000, 0.0002197800000000 ] - [ 0.0009779400000000, 0.0005646100000000, -0.0015207600000000 ] - [ -0.0009779400000000, 0.0005646100000000, -0.0015207600000000 ] - [ 0.0000000000000000, 0.0000529900000000, -0.0003724000000000 ] - [ 0.0006577600000000, -0.0003797600000000, -0.0007136000000000 ] - [ 0.0000000000000000, -0.0011292300000000, -0.0015207600000000 ] - [ -0.0006577600000000, -0.0003797600000000, -0.0007136000000000 ] - [ 0.0000000000000000, 0.0007595100000000, -0.0007136000000000 ] - [ -0.0000458900000000, -0.0000265000000000, -0.0003724000000000 ] - [ 0.0000458900000000, -0.0000265000000000, -0.0003724000000000 ] - [ -0.0090977000000000, 0.0052525600000000, 0.0031224400000000 ] - [ 0.0090977000000000, 0.0052525600000000, 0.0031224400000000 ] - [ 0.0000000000000000, 0.0001493400000000, 0.0000546800000000 ] - [ -0.0001293300000000, -0.0000746700000000, 0.0000546800000000 ] - [ 0.0000000000000000, -0.0000544700000000, 0.0001257700000000 ] - [ 0.0001293300000000, -0.0000746700000000, 0.0000546800000000 ] - [ 0.0000000000000000, -0.0105051100000000, 0.0031224400000000 ] - [ -0.0000471700000000, 0.0000272400000000, 0.0001257700000000 ] - [ 0.0000471700000000, 0.0000272400000000, 0.0001257700000000 ] - [ 0.0000971500000000, -0.0000560900000000, -0.0010850200000000 ] - [ -0.0000971500000000, -0.0000560900000000, -0.0010850200000000 ] - [ 0.0000000000000000, 0.0001270400000000, -0.0003977600000000 ] - [ -0.0001100200000000, -0.0000635200000000, -0.0003977600000000 ] - [ 0.0000000000000000, -0.0001295300000000, -0.0005151600000000 ] - [ 0.0001100200000000, -0.0000635200000000, -0.0003977600000000 ] - [ 0.0000000000000000, 0.0001121800000000, -0.0010850200000000 ] - [ -0.0001121800000000, 0.0000647700000000, -0.0005151600000000 ] - [ 0.0001121800000000, 0.0000647700000000, -0.0005151600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0162839300000000 ] - [ -0.0009705100000000, 0.0005414600000000, 0.0009419400000000 ] - [ 0.0009705100000000, 0.0005414600000000, 0.0009419400000000 ] - [ 0.0000163400000000, -0.0011112100000000, 0.0009419400000000 ] - [ -0.0000163400000000, -0.0011112100000000, 0.0009419400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004786400000000 ] - [ -0.0009541700000000, 0.0005697500000000, 0.0009419400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005899000000000 ] - [ 0.0009541700000000, 0.0005697500000000, 0.0009419400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010876700000000 ] - [ 0.0004843200000000, -0.0002758500000000, -0.0002008100000000 ] - [ -0.0004843200000000, -0.0002758500000000, -0.0002008100000000 ] - [ -0.0000032700000000, 0.0005573600000000, -0.0002008100000000 ] - [ 0.0000032700000000, 0.0005573600000000, -0.0002008100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001323600000000 ] - [ 0.0004810500000000, -0.0002815100000000, -0.0002008100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000063000000000 ] - [ -0.0004810500000000, -0.0002815100000000, -0.0002008100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0688035900000000 ] - [ 0.0002329200000000, 0.0001137800000000, 0.0151492500000000 ] - [ -0.0002329200000000, 0.0001137800000000, 0.0151492500000000 ] - [ -0.0002150000000000, 0.0001448300000000, 0.0151492500000000 ] - [ 0.0002150000000000, 0.0001448300000000, 0.0151492500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0143660900000000 ] - [ 0.0000179200000000, -0.0002586100000000, 0.0151492500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0143681900000000 ] - [ -0.0000179200000000, -0.0002586100000000, 0.0151492500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0130942700000000 ] - [ 0.0000622300000000, 0.0000494900000000, 0.0131510300000000 ] - [ -0.0000622300000000, 0.0000494900000000, 0.0131510300000000 ] - [ -0.0000739700000000, 0.0000291500000000, 0.0131510300000000 ] - [ 0.0000739700000000, 0.0000291500000000, 0.0131510300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0134998000000000 ] - [ -0.0000117400000000, -0.0000786300000000, 0.0131510300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0135016000000000 ] - [ 0.0000117400000000, -0.0000786300000000, 0.0131510300000000 ] - [ 0.0035312100000000, -0.0020387400000000, -0.0190447900000000 ] - [ -0.0035312100000000, -0.0020387400000000, -0.0190447900000000 ] - [ 0.0000000000000000, 0.0001492100000000, -0.0137918400000000 ] - [ -0.0001292200000000, -0.0000746000000000, -0.0137918400000000 ] - [ 0.0000000000000000, -0.0003698100000000, -0.0139652800000000 ] - [ 0.0001292200000000, -0.0000746000000000, -0.0137918400000000 ] - [ 0.0000000000000000, 0.0040774900000000, -0.0190447900000000 ] - [ -0.0003202600000000, 0.0001849000000000, -0.0139652800000000 ] - [ 0.0003202600000000, 0.0001849000000000, -0.0139652800000000 ] - [ -0.0008248600000000, 0.0004762300000000, -0.0159890400000000 ] - [ 0.0008248600000000, 0.0004762300000000, -0.0159890400000000 ] - [ 0.0000000000000000, 0.0000350500000000, -0.0144246600000000 ] - [ -0.0000303500000000, -0.0000175200000000, -0.0144246600000000 ] - [ 0.0000000000000000, 0.0007268400000000, -0.0149861100000000 ] - [ 0.0000303500000000, -0.0000175200000000, -0.0144246600000000 ] - [ 0.0000000000000000, -0.0009524600000000, -0.0159890400000000 ] - [ 0.0006294600000000, -0.0003634200000000, -0.0149861100000000 ] - [ -0.0006294600000000, -0.0003634200000000, -0.0149861100000000 ] - [ -0.0036992400000000, -0.0021357600000000, -0.0043814200000000 ] - [ 0.0036992400000000, -0.0021357600000000, -0.0043814200000000 ] - [ 0.0000000000000000, -0.0001159900000000, -0.0002238400000000 ] - [ 0.0002515700000000, -0.0001452400000000, -0.0003539800000000 ] - [ 0.0000000000000000, 0.0042715200000000, -0.0043814200000000 ] - [ -0.0002515700000000, -0.0001452400000000, -0.0003539800000000 ] - [ 0.0000000000000000, 0.0002904900000000, -0.0003539800000000 ] - [ 0.0001004500000000, 0.0000579900000000, -0.0002238400000000 ] - [ -0.0001004500000000, 0.0000579900000000, -0.0002238400000000 ] - [ -0.0009822500000000, -0.0005671000000000, 0.0015274400000000 ] - [ 0.0009822500000000, -0.0005671000000000, 0.0015274400000000 ] - [ 0.0000000000000000, -0.0000526200000000, 0.0003735600000000 ] - [ -0.0006640000000000, 0.0003833600000000, 0.0007188400000000 ] - [ 0.0000000000000000, 0.0011342100000000, 0.0015274400000000 ] - [ 0.0006640000000000, 0.0003833600000000, 0.0007188400000000 ] - [ 0.0000000000000000, -0.0007667200000000, 0.0007188400000000 ] - [ 0.0000455700000000, 0.0000263100000000, 0.0003735600000000 ] - [ -0.0000455700000000, 0.0000263100000000, 0.0003735600000000 ] - [ 0.0090284500000000, -0.0052125800000000, -0.0036420400000000 ] - [ -0.0090284500000000, -0.0052125800000000, -0.0036420400000000 ] - [ 0.0000000000000000, -0.0001303900000000, -0.0004959600000000 ] - [ 0.0001129200000000, 0.0000651900000000, -0.0004959600000000 ] - [ 0.0000000000000000, 0.0000409700000000, -0.0005203500000000 ] - [ -0.0001129200000000, 0.0000651900000000, -0.0004959600000000 ] - [ 0.0000000000000000, 0.0104251600000000, -0.0036420400000000 ] - [ 0.0000354800000000, -0.0000204900000000, -0.0005203500000000 ] - [ -0.0000354800000000, -0.0000204900000000, -0.0005203500000000 ] - [ -0.0001000000000000, 0.0000577400000000, 0.0006684000000000 ] - [ 0.0001000000000000, 0.0000577400000000, 0.0006684000000000 ] - [ 0.0000000000000000, -0.0001094200000000, -0.0000456800000000 ] - [ 0.0000947600000000, 0.0000547100000000, -0.0000456800000000 ] - [ 0.0000000000000000, 0.0001149900000000, 0.0001202500000000 ] - [ -0.0000947600000000, 0.0000547100000000, -0.0000456800000000 ] - [ 0.0000000000000000, -0.0001154700000000, 0.0006684000000000 ] - [ 0.0000995800000000, -0.0000575000000000, 0.0001202500000000 ] - [ -0.0000995800000000, -0.0000575000000000, 0.0001202500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0149347600000000 ] - [ 0.0009763000000000, -0.0005590700000000, -0.0005208300000000 ] - [ -0.0009763000000000, -0.0005590700000000, -0.0005208300000000 ] - [ -0.0000039800000000, 0.0011250400000000, -0.0005208300000000 ] - [ 0.0000039800000000, 0.0011250400000000, -0.0005208300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000818100000000 ] - [ 0.0009723300000000, -0.0005659700000000, -0.0005208300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001233400000000 ] - [ -0.0009723300000000, -0.0005659700000000, -0.0005208300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014854800000000 ] - [ -0.0004819100000000, 0.0002603000000000, 0.0006205400000000 ] - [ 0.0004819100000000, 0.0002603000000000, 0.0006205400000000 ] - [ 0.0000155300000000, -0.0005474900000000, 0.0006205400000000 ] - [ -0.0000155300000000, -0.0005474900000000, 0.0006205400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005291200000000 ] - [ -0.0004663800000000, 0.0002872000000000, 0.0006205400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004613100000000 ] - [ 0.0004663800000000, 0.0002872000000000, 0.0006205400000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0071230500000000, 0.0035293000000000, 0.0178368600000000 ] - [ -0.0012717800000000, -0.0000057800000000, 0.0141212800000000 ] - [ 0.0069163200000000, -0.0033983900000000, 0.0105956200000000 ] - [ 0.0006115200000000, 0.0000036300000000, 0.0141260400000000 ] - [ -0.0002930700000000, -0.0005642100000000, 0.0142223500000000 ] - [ -0.0002840600000000, 0.0005710700000000, 0.0140225100000000 ] - [ 0.0000093100000000, 0.0003482100000000, 0.0138722200000000 ] - [ -0.0000039500000000, -0.0003548100000000, 0.0143761900000000 ] - [ 0.0010205600000000, 0.0000244600000000, 0.0141096300000000 ] - [ 0.0001103000000000, -0.0005898800000000, 0.0151040900000000 ] - [ -0.0003573500000000, -0.0000060000000000, 0.0141246600000000 ] - [ 0.0001100500000000, 0.0005858200000000, 0.0131438000000000 ] - [ 0.0000167900000000, 0.0000061600000000, 0.0141232000000000 ] - [ -0.0000302600000000, -0.0001893000000000, 0.0141695700000000 ] - [ -0.0000200500000000, 0.0001943000000000, 0.0140782200000000 ] - [ -0.0004969600000000, 0.0002960300000000, 0.0147808800000000 ] - [ -0.0005112400000000, -0.0003054100000000, 0.0134592500000000 ] - [ 0.0011283700000000, 0.0000014300000000, 0.0141274400000000 ] - [ 0.0011283700000000, -0.0000014300000000, -0.0141274400000000 ] - [ -0.0004969600000000, -0.0002960300000000, -0.0147808800000000 ] - [ -0.0005112400000000, 0.0003054100000000, -0.0134592500000000 ] - [ -0.0000302600000000, 0.0001893000000000, -0.0141695700000000 ] - [ -0.0000200500000000, -0.0001943000000000, -0.0140782200000000 ] - [ 0.0000167900000000, -0.0000061600000000, -0.0141232000000000 ] - [ 0.0001103000000000, 0.0005898800000000, -0.0151040900000000 ] - [ -0.0003573500000000, 0.0000060000000000, -0.0141246600000000 ] - [ 0.0001100500000000, -0.0005858200000000, -0.0131438000000000 ] - [ 0.0010205600000000, -0.0000244600000000, -0.0141096300000000 ] - [ 0.0000093100000000, -0.0003482100000000, -0.0138722200000000 ] - [ -0.0000039500000000, 0.0003548100000000, -0.0143761900000000 ] - [ -0.0002930700000000, 0.0005642100000000, -0.0142223500000000 ] - [ -0.0002840600000000, -0.0005710700000000, -0.0140225100000000 ] - [ 0.0006115200000000, -0.0000036300000000, -0.0141260400000000 ] - [ 0.0071230500000000, -0.0035293000000000, -0.0178368600000000 ] - [ -0.0012717800000000, 0.0000057800000000, -0.0141212800000000 ] - [ 0.0069163200000000, 0.0033983900000000, -0.0105956200000000 ] - [ -0.0453417700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0050261900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0049408800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005061900000000, -0.0025758000000000, 0.0008080400000000 ] - [ 0.0005077200000000, 0.0025931200000000, -0.0008098900000000 ] - [ 0.0003677000000000, -0.0000001500000000, 0.0000026800000000 ] - [ 0.0005077200000000, -0.0025931200000000, 0.0008098900000000 ] - [ 0.0003677000000000, 0.0000001500000000, -0.0000026800000000 ] - [ 0.0005061900000000, 0.0025758000000000, -0.0008080400000000 ] - [ -0.0009304800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005607900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005541800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001431300000000, -0.0004002600000000, -0.0000022500000000 ] - [ -0.0001378600000000, 0.0004056400000000, 0.0000025700000000 ] - [ 0.0003399300000000, -0.0000003400000000, -0.0000005600000000 ] - [ -0.0001378600000000, -0.0004056400000000, -0.0000025700000000 ] - [ 0.0003399300000000, 0.0000003400000000, 0.0000005600000000 ] - [ -0.0001431300000000, 0.0004002600000000, 0.0000022500000000 ] - [ -0.0035764700000000, -0.0000159300000000, -0.0002043100000000 ] - [ 0.0011773200000000, 0.0002407000000000, -0.0000914300000000 ] - [ 0.0011633900000000, -0.0002305100000000, -0.0003676900000000 ] - [ -0.0002491600000000, -0.0003069000000000, -0.0000903400000000 ] - [ -0.0002255600000000, 0.0002951400000000, -0.0003007900000000 ] - [ 0.0007623300000000, -0.0000118500000000, -0.0002322800000000 ] - [ 0.0013021000000000, -0.0028262200000000, 0.0031358300000000 ] - [ 0.0002840400000000, 0.0000133000000000, -0.0001955500000000 ] - [ 0.0013088000000000, 0.0028109900000000, -0.0034799300000000 ] - [ -0.0002939100000000, -0.0000075600000000, -0.0001908700000000 ] - [ 0.0003081400000000, 0.0001320300000000, -0.0003357700000000 ] - [ 0.0002815500000000, -0.0001156000000000, -0.0001279100000000 ] - [ -0.0000600900000000, -0.0002741400000000, -0.0002631200000000 ] - [ -0.0000407100000000, 0.0002662000000000, -0.0001288400000000 ] - [ 0.0000804000000000, -0.0000156300000000, -0.0002318000000000 ] - [ -0.0001344000000000, -0.0000907500000000, -0.0021409000000000 ] - [ 0.0004175800000000, 0.0000107100000000, -0.0001965100000000 ] - [ -0.0001283700000000, 0.0000969700000000, 0.0017483500000000 ] - [ -0.0001344000000000, 0.0000907500000000, 0.0021409000000000 ] - [ 0.0004175800000000, -0.0000107100000000, 0.0001965100000000 ] - [ -0.0001283700000000, -0.0000969700000000, -0.0017483500000000 ] - [ 0.0000804000000000, 0.0000156300000000, 0.0002318000000000 ] - [ -0.0000600900000000, 0.0002741400000000, 0.0002631200000000 ] - [ -0.0000407100000000, -0.0002662000000000, 0.0001288400000000 ] - [ 0.0003081400000000, -0.0001320300000000, 0.0003357700000000 ] - [ 0.0002815500000000, 0.0001156000000000, 0.0001279100000000 ] - [ -0.0002939100000000, 0.0000075600000000, 0.0001908700000000 ] - [ 0.0013021000000000, 0.0028262200000000, -0.0031358300000000 ] - [ 0.0002840400000000, -0.0000133000000000, 0.0001955500000000 ] - [ 0.0013088000000000, -0.0028109900000000, 0.0034799300000000 ] - [ 0.0007623300000000, 0.0000118500000000, 0.0002322800000000 ] - [ -0.0002491600000000, 0.0003069000000000, 0.0000903400000000 ] - [ -0.0002255600000000, -0.0002951400000000, 0.0003007900000000 ] - [ 0.0011773200000000, -0.0002407000000000, 0.0000914300000000 ] - [ 0.0011633900000000, 0.0002305100000000, 0.0003676900000000 ] - [ -0.0035764700000000, 0.0000159300000000, 0.0002043100000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0041089400000000, 0.0023723000000000, 0.0185095400000000 ] - [ 0.0000000000000000, 0.0000243300000000, 0.0143430500000000 ] - [ -0.0041089400000000, 0.0023723000000000, 0.0185095400000000 ] - [ 0.0000000000000000, -0.0004758900000000, 0.0144761700000000 ] - [ 0.0000210700000000, -0.0000121700000000, 0.0143430500000000 ] - [ -0.0000210700000000, -0.0000121700000000, 0.0143430500000000 ] - [ -0.0004121300000000, 0.0002379400000000, 0.0144761700000000 ] - [ 0.0004121300000000, 0.0002379400000000, 0.0144761700000000 ] - [ 0.0000000000000000, -0.0047446000000000, 0.0185095400000000 ] - [ 0.0003673300000000, 0.0002120800000000, 0.0125955200000000 ] - [ 0.0000000000000000, 0.0000913500000000, 0.0137507600000000 ] - [ -0.0003673300000000, 0.0002120800000000, 0.0125955200000000 ] - [ 0.0000000000000000, 0.0002281400000000, 0.0134064500000000 ] - [ 0.0000791100000000, -0.0000456800000000, 0.0137507600000000 ] - [ -0.0000791100000000, -0.0000456800000000, 0.0137507600000000 ] - [ 0.0001975800000000, -0.0001140700000000, 0.0134064500000000 ] - [ -0.0001975800000000, -0.0001140700000000, 0.0134064500000000 ] - [ 0.0000000000000000, -0.0004241500000000, 0.0125955200000000 ] - [ 0.0000000000000000, -0.0004232800000000, -0.0156443200000000 ] - [ -0.0001846200000000, -0.0001065900000000, -0.0148387000000000 ] - [ 0.0001846200000000, -0.0001065900000000, -0.0148387000000000 ] - [ -0.0000886500000000, -0.0000511800000000, -0.0144966700000000 ] - [ 0.0000886500000000, -0.0000511800000000, -0.0144966700000000 ] - [ 0.0000000000000000, 0.0002131800000000, -0.0148387000000000 ] - [ -0.0003665700000000, 0.0002116400000000, -0.0156443200000000 ] - [ 0.0000000000000000, 0.0001023600000000, -0.0144966700000000 ] - [ 0.0003665700000000, 0.0002116400000000, -0.0156443200000000 ] - [ 0.0000000000000000, -0.0046007600000000, -0.0098194500000000 ] - [ 0.0004214600000000, 0.0002433300000000, -0.0137711700000000 ] - [ -0.0004214600000000, 0.0002433300000000, -0.0137711700000000 ] - [ -0.0000308500000000, -0.0000178100000000, -0.0138998100000000 ] - [ 0.0000308500000000, -0.0000178100000000, -0.0138998100000000 ] - [ 0.0000000000000000, -0.0004866600000000, -0.0137711700000000 ] - [ -0.0039843800000000, 0.0023003800000000, -0.0098194500000000 ] - [ 0.0000000000000000, 0.0000356200000000, -0.0138998100000000 ] - [ 0.0039843800000000, 0.0023003800000000, -0.0098194500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0445657300000000 ] - [ -0.0000023400000000, -0.0009341200000000, -0.0027627500000000 ] - [ 0.0000023400000000, -0.0009341200000000, -0.0027627500000000 ] - [ 0.0008101400000000, 0.0004650400000000, -0.0027627500000000 ] - [ -0.0008101400000000, 0.0004650400000000, -0.0027627500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013347600000000 ] - [ 0.0008078000000000, 0.0004690800000000, -0.0027627500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013378000000000 ] - [ -0.0008078000000000, 0.0004690800000000, -0.0027627500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012508500000000 ] - [ 0.0000017100000000, 0.0000027900000000, 0.0009698000000000 ] - [ -0.0000017100000000, 0.0000027900000000, 0.0009698000000000 ] - [ -0.0000032700000000, 0.0000000800000000, 0.0009698000000000 ] - [ 0.0000032700000000, 0.0000000800000000, 0.0009698000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006583600000000 ] - [ -0.0000015600000000, -0.0000028800000000, 0.0009698000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006588600000000 ] - [ 0.0000015600000000, -0.0000028800000000, 0.0009698000000000 ] - [ 0.0000000000000000, 0.0039992700000000, 0.0035174200000000 ] - [ 0.0011414800000000, 0.0006590300000000, 0.0008031200000000 ] - [ -0.0011414800000000, 0.0006590300000000, 0.0008031200000000 ] - [ -0.0000476800000000, -0.0000275300000000, 0.0002174600000000 ] - [ 0.0000476800000000, -0.0000275300000000, 0.0002174600000000 ] - [ 0.0000000000000000, -0.0013180700000000, 0.0008031200000000 ] - [ 0.0034634700000000, -0.0019996400000000, 0.0035174200000000 ] - [ 0.0000000000000000, 0.0000550500000000, 0.0002174600000000 ] - [ -0.0034634700000000, -0.0019996400000000, 0.0035174200000000 ] - [ 0.0000000000000000, -0.0004445300000000, 0.0012862800000000 ] - [ -0.0003397600000000, -0.0001961600000000, -0.0001188600000000 ] - [ 0.0003397600000000, -0.0001961600000000, -0.0001188600000000 ] - [ 0.0001362600000000, 0.0000786700000000, -0.0000082200000000 ] - [ -0.0001362600000000, 0.0000786700000000, -0.0000082200000000 ] - [ 0.0000000000000000, 0.0003923200000000, -0.0001188600000000 ] - [ -0.0003849800000000, 0.0002222700000000, 0.0012862800000000 ] - [ 0.0000000000000000, -0.0001573400000000, -0.0000082200000000 ] - [ 0.0003849800000000, 0.0002222700000000, 0.0012862800000000 ] - [ 0.0003738400000000, 0.0002158300000000, 0.0016869500000000 ] - [ 0.0000000000000000, -0.0001789100000000, 0.0003882900000000 ] - [ -0.0003738400000000, 0.0002158300000000, 0.0016869500000000 ] - [ 0.0000000000000000, 0.0004213100000000, 0.0003498900000000 ] - [ -0.0001549400000000, 0.0000894600000000, 0.0003882900000000 ] - [ 0.0001549400000000, 0.0000894600000000, 0.0003882900000000 ] - [ 0.0003648600000000, -0.0002106500000000, 0.0003498900000000 ] - [ -0.0003648600000000, -0.0002106500000000, 0.0003498900000000 ] - [ 0.0000000000000000, -0.0004316700000000, 0.0016869500000000 ] - [ -0.0034214700000000, -0.0019753900000000, 0.0038620000000000 ] - [ 0.0000000000000000, 0.0000301900000000, 0.0006128100000000 ] - [ 0.0034214700000000, -0.0019753900000000, 0.0038620000000000 ] - [ 0.0000000000000000, -0.0012958000000000, 0.0012674600000000 ] - [ 0.0000261400000000, -0.0000150900000000, 0.0006128100000000 ] - [ -0.0000261400000000, -0.0000150900000000, 0.0006128100000000 ] - [ -0.0011222000000000, 0.0006479000000000, 0.0012674600000000 ] - [ 0.0011222000000000, 0.0006479000000000, 0.0012674600000000 ] - [ 0.0000000000000000, 0.0039507700000000, 0.0038620000000000 ]- atom: 55 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0209533900000000, -0.0106210500000000, 0.0048726300000000 ] - [ -0.0017935300000000, -0.0000054300000000, 0.0141254900000000 ] - [ 0.0201927100000000, 0.0100853400000000, 0.0230037000000000 ] - [ 0.0026433700000000, -0.0000841500000000, 0.0141552200000000 ] - [ -0.0003867500000000, -0.0005752900000000, 0.0141658900000000 ] - [ -0.0003742300000000, 0.0005792400000000, 0.0140835900000000 ] - [ -0.0004448700000000, 0.0007676600000000, 0.0140054700000000 ] - [ -0.0004575000000000, -0.0007822400000000, 0.0142473300000000 ] - [ 0.0006193900000000, 0.0000002100000000, 0.0141230700000000 ] - [ 0.0001161100000000, -0.0000915000000000, 0.0142218400000000 ] - [ -0.0002155700000000, -0.0000062100000000, 0.0141235400000000 ] - [ 0.0001136700000000, 0.0000900300000000, 0.0140245000000000 ] - [ -0.0000422900000000, 0.0000064200000000, 0.0141262600000000 ] - [ 0.0000562000000000, -0.0000707100000000, 0.0142297800000000 ] - [ 0.0000660900000000, 0.0000756800000000, 0.0140175100000000 ] - [ -0.0001158300000000, 0.0000508600000000, 0.0140234900000000 ] - [ -0.0001260200000000, -0.0000583500000000, 0.0142282300000000 ] - [ 0.0001879400000000, -0.0000011200000000, 0.0141231300000000 ] - [ 0.0000585800000000, 0.0000057700000000, -0.0141578700000000 ] - [ -0.0007875600000000, -0.0002732000000000, -0.0151004400000000 ] - [ -0.0007964000000000, 0.0002781500000000, -0.0131528700000000 ] - [ -0.0000379200000000, 0.0002119900000000, -0.0141129200000000 ] - [ -0.0000261100000000, -0.0002145300000000, -0.0141335400000000 ] - [ 0.0000007700000000, -0.0000059100000000, -0.0141260500000000 ] - [ 0.0000116000000000, 0.0006918500000000, -0.0150874300000000 ] - [ -0.0003275600000000, 0.0000060800000000, -0.0141233500000000 ] - [ 0.0000113700000000, -0.0006868900000000, -0.0131604900000000 ] - [ 0.0003523600000000, 0.0000007200000000, -0.0141233400000000 ] - [ -0.0001542700000000, -0.0001424000000000, -0.0136432700000000 ] - [ -0.0001649400000000, 0.0001503000000000, -0.0146094000000000 ] - [ 0.0000020500000000, 0.0001437000000000, -0.0141325600000000 ] - [ 0.0000123300000000, -0.0001495900000000, -0.0141138200000000 ] - [ 0.0000109500000000, -0.0000057900000000, -0.0141256000000000 ] - [ 0.0001774500000000, 0.0001441000000000, -0.0136484100000000 ] - [ -0.0006287900000000, 0.0000045800000000, -0.0141248500000000 ] - [ 0.0001775900000000, -0.0001444500000000, -0.0145958200000000 ] - [ -0.0035758500000000, 0.0000029800000000, 0.0000014500000000 ] - [ 0.0011734200000000, -0.0002338700000000, -0.0011286300000000 ] - [ 0.0011672100000000, 0.0002370700000000, 0.0011345700000000 ] - [ 0.0012954200000000, -0.0028096100000000, 0.0034195600000000 ] - [ 0.0013167600000000, 0.0028275800000000, -0.0034653300000000 ] - [ 0.0002837100000000, -0.0000017200000000, 0.0000003400000000 ] - [ -0.0002357600000000, -0.0003024300000000, -0.0000368900000000 ] - [ 0.0007622500000000, 0.0000029000000000, -0.0000013800000000 ] - [ -0.0002390600000000, 0.0002993500000000, 0.0000360500000000 ] - [ -0.0002940200000000, 0.0000014700000000, 0.0000003800000000 ] - [ 0.0002971600000000, -0.0001237400000000, 0.0003535600000000 ] - [ 0.0002927100000000, 0.0001236200000000, -0.0003517100000000 ] - [ -0.0001304600000000, -0.0000921500000000, -0.0003781600000000 ] - [ -0.0001312400000000, 0.0000961500000000, 0.0003809100000000 ] - [ 0.0004167300000000, -0.0000001700000000, 0.0000013600000000 ] - [ -0.0000492100000000, -0.0002718800000000, 0.0001465900000000 ] - [ 0.0000806800000000, -0.0000002600000000, -0.0000001400000000 ] - [ -0.0000520000000000, 0.0002675400000000, -0.0001451300000000 ] - [ -0.0539539100000000, 0.0006726500000000, 0.0001175900000000 ] - [ 0.0029115300000000, 0.0009354700000000, 0.0000923400000000 ] - [ 0.0028633100000000, -0.0009303100000000, -0.0005587100000000 ] - [ -0.0005258500000000, -0.0010318500000000, 0.0006446900000000 ] - [ -0.0005018200000000, 0.0010289000000000, -0.0010271100000000 ] - [ 0.0006493800000000, -0.0000142100000000, -0.0002273300000000 ] - [ -0.0005181600000000, -0.0028933500000000, 0.0009712300000000 ] - [ 0.0006488100000000, 0.0000130500000000, -0.0001930800000000 ] - [ -0.0005088700000000, 0.0029004100000000, -0.0013515100000000 ] - [ 0.0000092600000000, -0.0000088600000000, -0.0001913600000000 ] - [ -0.0000036400000000, -0.0000299000000000, -0.0003364500000000 ] - [ -0.0000296000000000, 0.0000455500000000, -0.0001190200000000 ] - [ -0.0000060400000000, -0.0000306900000000, -0.0001955300000000 ] - [ 0.0000138900000000, 0.0000205800000000, -0.0001902400000000 ] - [ 0.0000057200000000, -0.0000142400000000, -0.0002281800000000 ] - [ -0.0000038700000000, 0.0000543700000000, -0.0003022700000000 ] - [ 0.0000051100000000, 0.0000118000000000, -0.0001924900000000 ] - [ 0.0000121300000000, -0.0000446400000000, -0.0000796100000000 ] - [ 0.0039501900000000, -0.0029190000000000, 0.0073811500000000 ] - [ 0.0006889200000000, -0.0000125000000000, 0.0001918600000000 ] - [ 0.0039130400000000, 0.0028528000000000, -0.0069017800000000 ] - [ -0.0010677700000000, -0.0000001200000000, 0.0002211100000000 ] - [ -0.0000222300000000, 0.0004611200000000, 0.0002732900000000 ] - [ -0.0000015700000000, -0.0004501800000000, 0.0001142900000000 ] - [ 0.0004385500000000, -0.0001609600000000, 0.0005364000000000 ] - [ 0.0004113500000000, 0.0001436700000000, -0.0000794400000000 ] - [ -0.0008011500000000, 0.0000087300000000, 0.0001914800000000 ] - [ -0.0000611100000000, 0.0000589100000000, 0.0000365800000000 ] - [ 0.0001722700000000, -0.0000120000000000, 0.0001936300000000 ] - [ -0.0000453300000000, -0.0000683200000000, 0.0003467200000000 ] - [ 0.0000569200000000, 0.0000140400000000, 0.0002285500000000 ] - [ -0.0000308100000000, 0.0001334400000000, 0.0001409900000000 ] - [ -0.0000101000000000, -0.0001245600000000, 0.0002463000000000 ] - [ 0.0001752000000000, -0.0000138500000000, 0.0002573400000000 ] - [ 0.0001479500000000, -0.0000016500000000, 0.0002007300000000 ] - [ -0.0002439100000000, 0.0000090200000000, 0.0001918200000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0063314900000000, 0.0036554900000000, 0.0175331600000000 ] - [ 0.0000000000000000, 0.0003261700000000, 0.0144008800000000 ] - [ 0.0063314900000000, 0.0036554900000000, 0.0175331600000000 ] - [ 0.0000000000000000, -0.0073109800000000, 0.0175331600000000 ] - [ 0.0002818100000000, 0.0001627000000000, 0.0144457800000000 ] - [ -0.0002818100000000, 0.0001627000000000, 0.0144457800000000 ] - [ -0.0002824700000000, -0.0001630800000000, 0.0144008800000000 ] - [ 0.0002824700000000, -0.0001630800000000, 0.0144008800000000 ] - [ 0.0000000000000000, -0.0003254000000000, 0.0144457800000000 ] - [ -0.0001444000000000, 0.0000833700000000, 0.0132476300000000 ] - [ 0.0000000000000000, 0.0000041600000000, 0.0139476200000000 ] - [ 0.0001444000000000, 0.0000833700000000, 0.0132476300000000 ] - [ 0.0000000000000000, -0.0001667400000000, 0.0132476300000000 ] - [ -0.0001743800000000, -0.0001006800000000, 0.0138043700000000 ] - [ 0.0001743800000000, -0.0001006800000000, 0.0138043700000000 ] - [ -0.0000036100000000, -0.0000020800000000, 0.0139476200000000 ] - [ 0.0000036100000000, -0.0000020800000000, 0.0139476200000000 ] - [ 0.0000000000000000, 0.0002013500000000, 0.0138043700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019725500000000 ] - [ -0.0006973900000000, 0.0002527400000000, -0.0133930000000000 ] - [ 0.0006973900000000, 0.0002527400000000, -0.0133930000000000 ] - [ 0.0001298200000000, -0.0007303200000000, -0.0133930000000000 ] - [ -0.0001298200000000, -0.0007303200000000, -0.0133930000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0138454500000000 ] - [ -0.0005675700000000, 0.0004775900000000, -0.0133930000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0137668300000000 ] - [ 0.0005675700000000, 0.0004775900000000, -0.0133930000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0154012700000000 ] - [ 0.0000015100000000, -0.0000353300000000, -0.0145339500000000 ] - [ -0.0000015100000000, -0.0000353300000000, -0.0145339500000000 ] - [ 0.0000298400000000, 0.0000189700000000, -0.0145339500000000 ] - [ -0.0000298400000000, 0.0000189700000000, -0.0145339500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0144561000000000 ] - [ 0.0000313500000000, 0.0000163500000000, -0.0145339500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0143517300000000 ] - [ -0.0000313500000000, 0.0000163500000000, -0.0145339500000000 ] - [ 0.0000000000000000, 0.0037824200000000, 0.0036677800000000 ] - [ -0.0001358100000000, 0.0000784100000000, 0.0010353300000000 ] - [ 0.0001358100000000, 0.0000784100000000, 0.0010353300000000 ] - [ 0.0032756700000000, -0.0018912100000000, 0.0036677800000000 ] - [ -0.0032756700000000, -0.0018912100000000, 0.0036677800000000 ] - [ 0.0000000000000000, -0.0001218600000000, 0.0004154000000000 ] - [ 0.0001055300000000, 0.0000609300000000, 0.0004154000000000 ] - [ 0.0000000000000000, -0.0001568200000000, 0.0010353300000000 ] - [ -0.0001055300000000, 0.0000609300000000, 0.0004154000000000 ] - [ 0.0000000000000000, -0.0022440900000000, 0.0014885900000000 ] - [ 0.0001052400000000, -0.0000607600000000, 0.0001155900000000 ] - [ -0.0001052400000000, -0.0000607600000000, 0.0001155900000000 ] - [ -0.0019434400000000, 0.0011220400000000, 0.0014885900000000 ] - [ 0.0019434400000000, 0.0011220400000000, 0.0014885900000000 ] - [ 0.0000000000000000, 0.0000771700000000, 0.0001901100000000 ] - [ -0.0000668300000000, -0.0000385900000000, 0.0001901100000000 ] - [ 0.0000000000000000, 0.0001215200000000, 0.0001155900000000 ] - [ 0.0000668300000000, -0.0000385900000000, 0.0001901100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0407428500000000 ] - [ -0.0003246400000000, -0.0011442500000000, -0.0013212900000000 ] - [ 0.0003246400000000, -0.0011442500000000, -0.0013212900000000 ] - [ 0.0011532700000000, 0.0002909800000000, -0.0013212900000000 ] - [ -0.0011532700000000, 0.0002909800000000, -0.0013212900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006643900000000 ] - [ 0.0008286300000000, 0.0008532700000000, -0.0013212900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006284000000000 ] - [ -0.0008286300000000, 0.0008532700000000, -0.0013212900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005648500000000 ] - [ 0.0001105600000000, 0.0000738200000000, -0.0000476200000000 ] - [ -0.0001105600000000, 0.0000738200000000, -0.0000476200000000 ] - [ -0.0001192200000000, 0.0000588400000000, -0.0000476200000000 ] - [ 0.0001192200000000, 0.0000588400000000, -0.0000476200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001216000000000 ] - [ -0.0000086500000000, -0.0001326600000000, -0.0000476200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000859400000000 ] - [ 0.0000086500000000, -0.0001326600000000, -0.0000476200000000 ] - [ 0.0071859700000000, -0.0041488200000000, 0.0011761400000000 ] - [ 0.0000000000000000, -0.0003650700000000, -0.0005953600000000 ] - [ -0.0071859700000000, -0.0041488200000000, 0.0011761400000000 ] - [ 0.0000000000000000, 0.0082976400000000, 0.0011761400000000 ] - [ 0.0000734300000000, 0.0000424000000000, -0.0002528400000000 ] - [ -0.0000734300000000, 0.0000424000000000, -0.0002528400000000 ] - [ 0.0003161600000000, 0.0001825400000000, -0.0005953600000000 ] - [ -0.0003161600000000, 0.0001825400000000, -0.0005953600000000 ] - [ 0.0000000000000000, -0.0000847900000000, -0.0002528400000000 ] - [ -0.0001524100000000, 0.0000879900000000, 0.0004591600000000 ] - [ 0.0000000000000000, -0.0000420400000000, 0.0003311200000000 ] - [ 0.0001524100000000, 0.0000879900000000, 0.0004591600000000 ] - [ 0.0000000000000000, -0.0001759900000000, 0.0004591600000000 ] - [ -0.0000589200000000, -0.0000340200000000, 0.0003569800000000 ] - [ 0.0000589200000000, -0.0000340200000000, 0.0003569800000000 ] - [ 0.0000364100000000, 0.0000210200000000, 0.0003311200000000 ] - [ -0.0000364100000000, 0.0000210200000000, 0.0003311200000000 ] - [ 0.0000000000000000, 0.0000680400000000, 0.0003569800000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0063587400000000, -0.0036712200000000, 0.0107687500000000 ] - [ 0.0000000000000000, -0.0003343100000000, 0.0138498600000000 ] - [ -0.0063587400000000, -0.0036712200000000, 0.0107687500000000 ] - [ 0.0000000000000000, 0.0073424400000000, 0.0107687500000000 ] - [ -0.0002830800000000, -0.0001634400000000, 0.0138000200000000 ] - [ 0.0002830800000000, -0.0001634400000000, 0.0138000200000000 ] - [ 0.0002895200000000, 0.0001671500000000, 0.0138498600000000 ] - [ -0.0002895200000000, 0.0001671500000000, 0.0138498600000000 ] - [ 0.0000000000000000, 0.0003268800000000, 0.0138000200000000 ] - [ 0.0001468900000000, -0.0000848100000000, 0.0150014400000000 ] - [ 0.0000000000000000, -0.0000118800000000, 0.0142996200000000 ] - [ -0.0001468900000000, -0.0000848100000000, 0.0150014400000000 ] - [ 0.0000000000000000, 0.0001696100000000, 0.0150014400000000 ] - [ 0.0001706400000000, 0.0000985200000000, 0.0144399200000000 ] - [ -0.0001706400000000, 0.0000985200000000, 0.0144399200000000 ] - [ 0.0000102900000000, 0.0000059400000000, 0.0142996200000000 ] - [ -0.0000102900000000, 0.0000059400000000, 0.0142996200000000 ] - [ 0.0000000000000000, -0.0001970400000000, 0.0144399200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0292446200000000 ] - [ 0.0006985400000000, -0.0002481900000000, -0.0148554300000000 ] - [ -0.0006985400000000, -0.0002481900000000, -0.0148554300000000 ] - [ -0.0001343300000000, 0.0007290500000000, -0.0148554300000000 ] - [ 0.0001343300000000, 0.0007290500000000, -0.0148554300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0144050000000000 ] - [ 0.0005642100000000, -0.0004808600000000, -0.0148554300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0144796600000000 ] - [ -0.0005642100000000, -0.0004808600000000, -0.0148554300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0128302100000000 ] - [ 0.0000009900000000, 0.0000416800000000, -0.0137141900000000 ] - [ -0.0000009900000000, 0.0000416800000000, -0.0137141900000000 ] - [ -0.0000365900000000, -0.0000199800000000, -0.0137141900000000 ] - [ 0.0000365900000000, -0.0000199800000000, -0.0137141900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0137956800000000 ] - [ -0.0000356000000000, -0.0000217000000000, -0.0137141900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0138980600000000 ] - [ 0.0000356000000000, -0.0000217000000000, -0.0137141900000000 ] - [ 0.0000000000000000, -0.0038570400000000, -0.0037117000000000 ] - [ 0.0001397700000000, -0.0000806900000000, -0.0010355600000000 ] - [ -0.0001397700000000, -0.0000806900000000, -0.0010355600000000 ] - [ -0.0033402900000000, 0.0019285200000000, -0.0037117000000000 ] - [ 0.0033402900000000, 0.0019285200000000, -0.0037117000000000 ] - [ 0.0000000000000000, 0.0001220800000000, -0.0004147200000000 ] - [ -0.0001057200000000, -0.0000610400000000, -0.0004147200000000 ] - [ 0.0000000000000000, 0.0001613900000000, -0.0010355600000000 ] - [ 0.0001057200000000, -0.0000610400000000, -0.0004147200000000 ] - [ 0.0000000000000000, 0.0022468300000000, -0.0014856100000000 ] - [ -0.0001031700000000, 0.0000595600000000, -0.0001156700000000 ] - [ 0.0001031700000000, 0.0000595600000000, -0.0001156700000000 ] - [ 0.0019458100000000, -0.0011234100000000, -0.0014856100000000 ] - [ -0.0019458100000000, -0.0011234100000000, -0.0014856100000000 ] - [ 0.0000000000000000, -0.0000771300000000, -0.0001894000000000 ] - [ 0.0000667900000000, 0.0000385600000000, -0.0001894000000000 ] - [ 0.0000000000000000, -0.0001191300000000, -0.0001156700000000 ] - [ -0.0000667900000000, 0.0000385600000000, -0.0001894000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0393703800000000 ] - [ 0.0003262300000000, 0.0011620900000000, 0.0009004300000000 ] - [ -0.0003262300000000, 0.0011620900000000, 0.0009004300000000 ] - [ -0.0011695100000000, -0.0002985200000000, 0.0009004300000000 ] - [ 0.0011695100000000, -0.0002985200000000, 0.0009004300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001981500000000 ] - [ -0.0008432800000000, -0.0008635700000000, 0.0009004300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002339300000000 ] - [ 0.0008432800000000, -0.0008635700000000, 0.0009004300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009602400000000 ] - [ -0.0001066500000000, -0.0000579500000000, -0.0003671200000000 ] - [ 0.0001066500000000, -0.0000579500000000, -0.0003671200000000 ] - [ 0.0001035100000000, -0.0000633900000000, -0.0003671200000000 ] - [ -0.0001035100000000, -0.0000633900000000, -0.0003671200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003412600000000 ] - [ -0.0000031400000000, 0.0001213400000000, -0.0003671200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003063300000000 ] - [ 0.0000031400000000, 0.0001213400000000, -0.0003671200000000 ] - [ -0.0070969200000000, 0.0040974100000000, -0.0007461200000000 ] - [ 0.0000000000000000, 0.0003461600000000, 0.0010310800000000 ] - [ 0.0070969200000000, 0.0040974100000000, -0.0007461200000000 ] - [ 0.0000000000000000, -0.0081948200000000, -0.0007461200000000 ] - [ -0.0000856300000000, -0.0000494400000000, 0.0006399100000000 ] - [ 0.0000856300000000, -0.0000494400000000, 0.0006399100000000 ] - [ -0.0002997800000000, -0.0001730800000000, 0.0010310800000000 ] - [ 0.0002997800000000, -0.0001730800000000, 0.0010310800000000 ] - [ 0.0000000000000000, 0.0000988800000000, 0.0006399100000000 ] - [ 0.0001577100000000, -0.0000910500000000, -0.0000472100000000 ] - [ 0.0000000000000000, 0.0000234200000000, 0.0001074400000000 ] - [ -0.0001577100000000, -0.0000910500000000, -0.0000472100000000 ] - [ 0.0000000000000000, 0.0001821100000000, -0.0000472100000000 ] - [ 0.0000462500000000, 0.0000267000000000, 0.0000334400000000 ] - [ -0.0000462500000000, 0.0000267000000000, 0.0000334400000000 ] - [ -0.0000202800000000, -0.0000117100000000, 0.0001074400000000 ] - [ 0.0000202800000000, -0.0000117100000000, 0.0001074400000000 ] - [ 0.0000000000000000, -0.0000534000000000, 0.0000334400000000 ]