# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/c61585d7-891b-4188-a988-5cb4a7cb2a18/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 InBi2Se4Br / C2/m (12) / materials id 571169](https://mdr.nims.go.jp/datasets/ca9b6927-e1af-471f-a6bb-40a61c423691) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "C2/m" number: 12 Hall_symbol: "-C 2y"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 10.369724700000001, -2.047637225000000, 0.056337315000000 ] # a - [ 10.369724700000001, 2.047637225000000, 0.056337315000000 ] # b - [ -5.793183980000000, 0.000000000000000, 10.360256780000000 ] # c points: - symbol: In # 1 coordinates: [ 0.161069530000000, 0.161069530000000, 0.432818040000000 ] mass: 114.818000 - symbol: In # 2 coordinates: [ 0.838930470000000, 0.838930470000000, 0.567181960000000 ] mass: 114.818000 - symbol: Bi # 3 coordinates: [ 0.795900230000000, 0.795900230000000, 0.894153510000000 ] mass: 208.980400 - symbol: Bi # 4 coordinates: [ 0.204099770000000, 0.204099770000000, 0.105846490000000 ] mass: 208.980400 - symbol: Bi # 5 coordinates: [ 0.550313840000000, 0.550313840000000, 0.768192470000000 ] mass: 208.980400 - symbol: Bi # 6 coordinates: [ 0.449686160000000, 0.449686160000000, 0.231807530000000 ] mass: 208.980400 - symbol: Se # 7 coordinates: [ 0.037990210000000, 0.037990210000000, 0.212982180000000 ] mass: 78.960000 - symbol: Se # 8 coordinates: [ 0.823112590000000, 0.823112590000000, 0.146078960000000 ] mass: 78.960000 - symbol: Se # 9 coordinates: [ 0.283131950000000, 0.283131950000000, 0.654543410000000 ] mass: 78.960000 - symbol: Se # 10 coordinates: [ 0.404173230000000, 0.404173230000000, 0.972981490000000 ] mass: 78.960000 - symbol: Se # 11 coordinates: [ 0.595826770000000, 0.595826770000000, 0.027018510000000 ] mass: 78.960000 - symbol: Se # 12 coordinates: [ 0.176887410000000, 0.176887410000000, 0.853921040000000 ] mass: 78.960000 - symbol: Se # 13 coordinates: [ 0.962009790000000, 0.962009790000000, 0.787017820000000 ] mass: 78.960000 - symbol: Se # 14 coordinates: [ 0.716868050000000, 0.716868050000000, 0.345456590000000 ] mass: 78.960000 - symbol: Br # 15 coordinates: [ 0.601142160000000, 0.601142160000000, 0.530379420000000 ] mass: 79.904000 - symbol: Br # 16 coordinates: [ 0.398857840000000, 0.398857840000000, 0.469620580000000 ] mass: 79.904000 reciprocal_lattice: # without 2pi - [ 0.048071251364578, -0.244183878811834, 0.026880183495204 ] # a* - [ 0.048071251364578, 0.244183878811834, 0.026880183495204 ] # b* - [ -0.000522806584447, 0.000000000000000, 0.096230364405152 ] # c*unit_cell: lattice: - [ 20.739449400000002, 0.000000000000000, 0.112674630000000 ] # a - [ 0.000000000000000, 4.095274450000000, 0.000000000000000 ] # b - [ -5.793183980000000, 0.000000000000000, 10.360256780000000 ] # c points: - symbol: In # 1 coordinates: [ 0.661069530000000, 0.500000000000000, 0.432818040000000 ] mass: 114.818000 reduced_to: 1 - symbol: In # 2 coordinates: [ 0.338930470000000, 0.500000000000000, 0.567181960000000 ] mass: 114.818000 reduced_to: 2 - symbol: In # 3 coordinates: [ 0.161069530000000, 0.000000000000000, 0.432818040000000 ] mass: 114.818000 reduced_to: 1 - symbol: In # 4 coordinates: [ 0.838930470000000, 0.000000000000000, 0.567181960000000 ] mass: 114.818000 reduced_to: 2 - symbol: Bi # 5 coordinates: [ 0.795900230000000, 0.000000000000000, 0.894153510000000 ] mass: 208.980400 reduced_to: 5 - symbol: Bi # 6 coordinates: [ 0.204099770000000, 0.000000000000000, 0.105846490000000 ] mass: 208.980400 reduced_to: 6 - symbol: Bi # 7 coordinates: [ 0.550313840000000, 0.000000000000000, 0.768192470000000 ] mass: 208.980400 reduced_to: 7 - symbol: Bi # 8 coordinates: [ 0.449686160000000, 0.000000000000000, 0.231807530000000 ] mass: 208.980400 reduced_to: 8 - symbol: Bi # 9 coordinates: [ 0.295900230000000, 0.500000000000000, 0.894153510000000 ] mass: 208.980400 reduced_to: 5 - symbol: Bi # 10 coordinates: [ 0.704099770000000, 0.500000000000000, 0.105846490000000 ] mass: 208.980400 reduced_to: 6 - symbol: Bi # 11 coordinates: [ 0.050313840000000, 0.500000000000000, 0.768192470000000 ] mass: 208.980400 reduced_to: 7 - symbol: Bi # 12 coordinates: [ 0.949686160000000, 0.500000000000000, 0.231807530000000 ] mass: 208.980400 reduced_to: 8 - symbol: Se # 13 coordinates: [ 0.537990210000000, 0.500000000000000, 0.212982180000000 ] mass: 78.960000 reduced_to: 13 - symbol: Se # 14 coordinates: [ 0.323112590000000, 0.500000000000000, 0.146078960000000 ] mass: 78.960000 reduced_to: 14 - symbol: Se # 15 coordinates: [ 0.783131950000000, 0.500000000000000, 0.654543410000000 ] mass: 78.960000 reduced_to: 15 - symbol: Se # 16 coordinates: [ 0.904173230000000, 0.500000000000000, 0.972981490000000 ] mass: 78.960000 reduced_to: 16 - symbol: Se # 17 coordinates: [ 0.095826770000000, 0.500000000000000, 0.027018510000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 18 coordinates: [ 0.676887410000000, 0.500000000000000, 0.853921040000000 ] mass: 78.960000 reduced_to: 18 - symbol: Se # 19 coordinates: [ 0.462009790000000, 0.500000000000000, 0.787017820000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 20 coordinates: [ 0.216868050000000, 0.500000000000000, 0.345456590000000 ] mass: 78.960000 reduced_to: 20 - symbol: Se # 21 coordinates: [ 0.037990210000000, 0.000000000000000, 0.212982180000000 ] mass: 78.960000 reduced_to: 13 - symbol: Se # 22 coordinates: [ 0.823112590000000, 0.000000000000000, 0.146078960000000 ] mass: 78.960000 reduced_to: 14 - symbol: Se # 23 coordinates: [ 0.283131950000000, 0.000000000000000, 0.654543410000000 ] mass: 78.960000 reduced_to: 15 - symbol: Se # 24 coordinates: [ 0.404173230000000, 0.000000000000000, 0.972981490000000 ] mass: 78.960000 reduced_to: 16 - symbol: Se # 25 coordinates: [ 0.595826770000000, 0.000000000000000, 0.027018510000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 26 coordinates: [ 0.176887410000000, 0.000000000000000, 0.853921040000000 ] mass: 78.960000 reduced_to: 18 - symbol: Se # 27 coordinates: [ 0.962009790000000, 0.000000000000000, 0.787017820000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 28 coordinates: [ 0.716868050000000, 0.000000000000000, 0.345456590000000 ] mass: 78.960000 reduced_to: 20 - symbol: Br # 29 coordinates: [ 0.601142160000000, 0.000000000000000, 0.530379420000000 ] mass: 79.904000 reduced_to: 29 - symbol: Br # 30 coordinates: [ 0.398857840000000, 0.000000000000000, 0.469620580000000 ] mass: 79.904000 reduced_to: 30 - symbol: Br # 31 coordinates: [ 0.101142160000000, 0.500000000000000, 0.530379420000000 ] mass: 79.904000 reduced_to: 29 - symbol: Br # 32 coordinates: [ 0.898857840000000, 0.500000000000000, 0.469620580000000 ] mass: 79.904000 reduced_to: 30supercell: lattice: - [ 20.739449400000002, 0.000000000000000, 0.112674630000000 ] # a - [ 0.000000000000000, 12.285823349999999, 0.000000000000000 ] # b - [ -5.793183980000000, 0.000000000000000, 10.360256780000000 ] # c points: - symbol: In # 1 coordinates: [ 0.661069530000000, 0.166666666666667, 0.432818040000000 ] mass: 114.818000 reduced_to: 1 - symbol: In # 2 coordinates: [ 0.661069530000000, 0.500000000000000, 0.432818040000000 ] mass: 114.818000 reduced_to: 1 - symbol: In # 3 coordinates: [ 0.661069530000000, 0.833333333333333, 0.432818040000000 ] mass: 114.818000 reduced_to: 1 - symbol: In # 4 coordinates: [ 0.338930470000000, 0.166666666666667, 0.567181960000000 ] mass: 114.818000 reduced_to: 4 - symbol: In # 5 coordinates: [ 0.338930470000000, 0.500000000000000, 0.567181960000000 ] mass: 114.818000 reduced_to: 4 - symbol: In # 6 coordinates: [ 0.338930470000000, 0.833333333333333, 0.567181960000000 ] mass: 114.818000 reduced_to: 4 - symbol: In # 7 coordinates: [ 0.161069530000000, 0.000000000000000, 0.432818040000000 ] mass: 114.818000 reduced_to: 1 - symbol: In # 8 coordinates: [ 0.161069530000000, 0.333333333333333, 0.432818040000000 ] mass: 114.818000 reduced_to: 1 - symbol: In # 9 coordinates: [ 0.161069530000000, 0.666666666666667, 0.432818040000000 ] mass: 114.818000 reduced_to: 1 - symbol: In # 10 coordinates: [ 0.838930470000000, 0.000000000000000, 0.567181960000000 ] mass: 114.818000 reduced_to: 4 - symbol: In # 11 coordinates: [ 0.838930470000000, 0.333333333333333, 0.567181960000000 ] mass: 114.818000 reduced_to: 4 - symbol: In # 12 coordinates: [ 0.838930470000000, 0.666666666666667, 0.567181960000000 ] mass: 114.818000 reduced_to: 4 - symbol: Bi # 13 coordinates: [ 0.795900230000000, 0.000000000000000, 0.894153510000000 ] mass: 208.980400 reduced_to: 13 - symbol: Bi # 14 coordinates: [ 0.795900230000000, 0.333333333333333, 0.894153510000000 ] mass: 208.980400 reduced_to: 13 - symbol: Bi # 15 coordinates: [ 0.795900230000000, 0.666666666666667, 0.894153510000000 ] mass: 208.980400 reduced_to: 13 - symbol: Bi # 16 coordinates: [ 0.204099770000000, 0.000000000000000, 0.105846490000000 ] mass: 208.980400 reduced_to: 16 - symbol: Bi # 17 coordinates: [ 0.204099770000000, 0.333333333333333, 0.105846490000000 ] mass: 208.980400 reduced_to: 16 - symbol: Bi # 18 coordinates: [ 0.204099770000000, 0.666666666666667, 0.105846490000000 ] mass: 208.980400 reduced_to: 16 - symbol: Bi # 19 coordinates: [ 0.550313840000000, 0.000000000000000, 0.768192470000000 ] mass: 208.980400 reduced_to: 19 - symbol: Bi # 20 coordinates: [ 0.550313840000000, 0.333333333333333, 0.768192470000000 ] mass: 208.980400 reduced_to: 19 - symbol: Bi # 21 coordinates: [ 0.550313840000000, 0.666666666666667, 0.768192470000000 ] mass: 208.980400 reduced_to: 19 - symbol: Bi # 22 coordinates: [ 0.449686160000000, 0.000000000000000, 0.231807530000000 ] mass: 208.980400 reduced_to: 22 - symbol: Bi # 23 coordinates: [ 0.449686160000000, 0.333333333333333, 0.231807530000000 ] mass: 208.980400 reduced_to: 22 - symbol: Bi # 24 coordinates: [ 0.449686160000000, 0.666666666666667, 0.231807530000000 ] mass: 208.980400 reduced_to: 22 - symbol: Bi # 25 coordinates: [ 0.295900230000000, 0.166666666666667, 0.894153510000000 ] mass: 208.980400 reduced_to: 13 - symbol: Bi # 26 coordinates: [ 0.295900230000000, 0.500000000000000, 0.894153510000000 ] mass: 208.980400 reduced_to: 13 - symbol: Bi # 27 coordinates: [ 0.295900230000000, 0.833333333333333, 0.894153510000000 ] mass: 208.980400 reduced_to: 13 - symbol: Bi # 28 coordinates: [ 0.704099770000000, 0.166666666666667, 0.105846490000000 ] mass: 208.980400 reduced_to: 16 - symbol: Bi # 29 coordinates: [ 0.704099770000000, 0.500000000000000, 0.105846490000000 ] mass: 208.980400 reduced_to: 16 - symbol: Bi # 30 coordinates: [ 0.704099770000000, 0.833333333333333, 0.105846490000000 ] mass: 208.980400 reduced_to: 16 - symbol: Bi # 31 coordinates: [ 0.050313840000000, 0.166666666666667, 0.768192470000000 ] mass: 208.980400 reduced_to: 19 - symbol: Bi # 32 coordinates: [ 0.050313840000000, 0.500000000000000, 0.768192470000000 ] mass: 208.980400 reduced_to: 19 - symbol: Bi # 33 coordinates: [ 0.050313840000000, 0.833333333333333, 0.768192470000000 ] mass: 208.980400 reduced_to: 19 - symbol: Bi # 34 coordinates: [ 0.949686160000000, 0.166666666666667, 0.231807530000000 ] mass: 208.980400 reduced_to: 22 - symbol: Bi # 35 coordinates: [ 0.949686160000000, 0.500000000000000, 0.231807530000000 ] mass: 208.980400 reduced_to: 22 - symbol: Bi # 36 coordinates: [ 0.949686160000000, 0.833333333333333, 0.231807530000000 ] mass: 208.980400 reduced_to: 22 - symbol: Se # 37 coordinates: [ 0.537990210000000, 0.166666666666667, 0.212982180000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 38 coordinates: [ 0.537990210000000, 0.500000000000000, 0.212982180000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 39 coordinates: [ 0.537990210000000, 0.833333333333333, 0.212982180000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 40 coordinates: [ 0.323112590000000, 0.166666666666667, 0.146078960000000 ] mass: 78.960000 reduced_to: 40 - symbol: Se # 41 coordinates: [ 0.323112590000000, 0.500000000000000, 0.146078960000000 ] mass: 78.960000 reduced_to: 40 - symbol: Se # 42 coordinates: [ 0.323112590000000, 0.833333333333333, 0.146078960000000 ] mass: 78.960000 reduced_to: 40 - symbol: Se # 43 coordinates: [ 0.783131950000000, 0.166666666666667, 0.654543410000000 ] mass: 78.960000 reduced_to: 43 - symbol: Se # 44 coordinates: [ 0.783131950000000, 0.500000000000000, 0.654543410000000 ] mass: 78.960000 reduced_to: 43 - symbol: Se # 45 coordinates: [ 0.783131950000000, 0.833333333333333, 0.654543410000000 ] mass: 78.960000 reduced_to: 43 - symbol: Se # 46 coordinates: [ 0.904173230000000, 0.166666666666667, 0.972981490000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 47 coordinates: [ 0.904173230000000, 0.500000000000000, 0.972981490000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 48 coordinates: [ 0.904173230000000, 0.833333333333333, 0.972981490000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 49 coordinates: [ 0.095826770000000, 0.166666666666667, 0.027018510000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 50 coordinates: [ 0.095826770000000, 0.500000000000000, 0.027018510000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 51 coordinates: [ 0.095826770000000, 0.833333333333333, 0.027018510000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 52 coordinates: [ 0.676887410000000, 0.166666666666667, 0.853921040000000 ] mass: 78.960000 reduced_to: 52 - symbol: Se # 53 coordinates: [ 0.676887410000000, 0.500000000000000, 0.853921040000000 ] mass: 78.960000 reduced_to: 52 - symbol: Se # 54 coordinates: [ 0.676887410000000, 0.833333333333333, 0.853921040000000 ] mass: 78.960000 reduced_to: 52 - symbol: Se # 55 coordinates: [ 0.462009790000000, 0.166666666666667, 0.787017820000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 56 coordinates: [ 0.462009790000000, 0.500000000000000, 0.787017820000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 57 coordinates: [ 0.462009790000000, 0.833333333333333, 0.787017820000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 58 coordinates: [ 0.216868050000000, 0.166666666666667, 0.345456590000000 ] mass: 78.960000 reduced_to: 58 - symbol: Se # 59 coordinates: [ 0.216868050000000, 0.500000000000000, 0.345456590000000 ] mass: 78.960000 reduced_to: 58 - symbol: Se # 60 coordinates: [ 0.216868050000000, 0.833333333333333, 0.345456590000000 ] mass: 78.960000 reduced_to: 58 - symbol: Se # 61 coordinates: [ 0.037990210000000, 0.000000000000000, 0.212982180000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 62 coordinates: [ 0.037990210000000, 0.333333333333333, 0.212982180000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 63 coordinates: [ 0.037990210000000, 0.666666666666667, 0.212982180000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 64 coordinates: [ 0.823112590000000, 0.000000000000000, 0.146078960000000 ] mass: 78.960000 reduced_to: 40 - symbol: Se # 65 coordinates: [ 0.823112590000000, 0.333333333333333, 0.146078960000000 ] mass: 78.960000 reduced_to: 40 - symbol: Se # 66 coordinates: [ 0.823112590000000, 0.666666666666667, 0.146078960000000 ] mass: 78.960000 reduced_to: 40 - symbol: Se # 67 coordinates: [ 0.283131950000000, 0.000000000000000, 0.654543410000000 ] mass: 78.960000 reduced_to: 43 - symbol: Se # 68 coordinates: [ 0.283131950000000, 0.333333333333333, 0.654543410000000 ] mass: 78.960000 reduced_to: 43 - symbol: Se # 69 coordinates: [ 0.283131950000000, 0.666666666666667, 0.654543410000000 ] mass: 78.960000 reduced_to: 43 - symbol: Se # 70 coordinates: [ 0.404173230000000, 0.000000000000000, 0.972981490000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 71 coordinates: [ 0.404173230000000, 0.333333333333333, 0.972981490000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 72 coordinates: [ 0.404173230000000, 0.666666666666667, 0.972981490000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 73 coordinates: [ 0.595826770000000, 0.000000000000000, 0.027018510000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 74 coordinates: [ 0.595826770000000, 0.333333333333333, 0.027018510000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 75 coordinates: [ 0.595826770000000, 0.666666666666667, 0.027018510000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 76 coordinates: [ 0.176887410000000, 0.000000000000000, 0.853921040000000 ] mass: 78.960000 reduced_to: 52 - symbol: Se # 77 coordinates: [ 0.176887410000000, 0.333333333333333, 0.853921040000000 ] mass: 78.960000 reduced_to: 52 - symbol: Se # 78 coordinates: [ 0.176887410000000, 0.666666666666667, 0.853921040000000 ] mass: 78.960000 reduced_to: 52 - symbol: Se # 79 coordinates: [ 0.962009790000000, 0.000000000000000, 0.787017820000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 80 coordinates: [ 0.962009790000000, 0.333333333333333, 0.787017820000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 81 coordinates: [ 0.962009790000000, 0.666666666666667, 0.787017820000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 82 coordinates: [ 0.716868050000000, 0.000000000000000, 0.345456590000000 ] mass: 78.960000 reduced_to: 58 - symbol: Se # 83 coordinates: [ 0.716868050000000, 0.333333333333333, 0.345456590000000 ] mass: 78.960000 reduced_to: 58 - symbol: Se # 84 coordinates: [ 0.716868050000000, 0.666666666666667, 0.345456590000000 ] mass: 78.960000 reduced_to: 58 - symbol: Br # 85 coordinates: [ 0.601142160000000, 0.000000000000000, 0.530379420000000 ] mass: 79.904000 reduced_to: 85 - symbol: Br # 86 coordinates: [ 0.601142160000000, 0.333333333333333, 0.530379420000000 ] mass: 79.904000 reduced_to: 85 - symbol: Br # 87 coordinates: [ 0.601142160000000, 0.666666666666667, 0.530379420000000 ] mass: 79.904000 reduced_to: 85 - symbol: Br # 88 coordinates: [ 0.398857840000000, 0.000000000000000, 0.469620580000000 ] mass: 79.904000 reduced_to: 88 - symbol: Br # 89 coordinates: [ 0.398857840000000, 0.333333333333333, 0.469620580000000 ] mass: 79.904000 reduced_to: 88 - symbol: Br # 90 coordinates: [ 0.398857840000000, 0.666666666666667, 0.469620580000000 ] mass: 79.904000 reduced_to: 88 - symbol: Br # 91 coordinates: [ 0.101142160000000, 0.166666666666667, 0.530379420000000 ] mass: 79.904000 reduced_to: 85 - symbol: Br # 92 coordinates: [ 0.101142160000000, 0.500000000000000, 0.530379420000000 ] mass: 79.904000 reduced_to: 85 - symbol: Br # 93 coordinates: [ 0.101142160000000, 0.833333333333333, 0.530379420000000 ] mass: 79.904000 reduced_to: 85 - symbol: Br # 94 coordinates: [ 0.898857840000000, 0.166666666666667, 0.469620580000000 ] mass: 79.904000 reduced_to: 88 - symbol: Br # 95 coordinates: [ 0.898857840000000, 0.500000000000000, 0.469620580000000 ] mass: 79.904000 reduced_to: 88 - symbol: Br # 96 coordinates: [ 0.898857840000000, 0.833333333333333, 0.469620580000000 ] mass: 79.904000 reduced_to: 88displacements:- atom: 1 displacement: [ 0.0099998524231531, 0.0000000000000000, 0.0000543278488306 ] forces: - [ -0.0579008200000000, 0.0000000000000000, -0.0366592700000000 ] - [ -0.0116069000000000, -0.0007687900000000, 0.0019295300000000 ] - [ -0.0116069000000000, 0.0007687900000000, 0.0019295300000000 ] - [ 0.0037674800000000, 0.0000000000000000, 0.0013905000000000 ] - [ 0.0034700900000000, -0.0002995300000000, 0.0014101100000000 ] - [ 0.0034700900000000, 0.0002995300000000, 0.0014101100000000 ] - [ -0.0026058300000000, -0.0000061600000000, -0.0013707400000000 ] - [ -0.0026058300000000, 0.0000061600000000, -0.0013707400000000 ] - [ -0.0027919300000000, 0.0000000000000000, -0.0015291500000000 ] - [ 0.0079253000000000, -0.0036512900000000, 0.0057377800000000 ] - [ 0.0079253000000000, 0.0036512900000000, 0.0057377800000000 ] - [ 0.0034894100000000, 0.0000000000000000, 0.0025920200000000 ] - [ 0.0010048100000000, -0.0013709800000000, 0.0009352800000000 ] - [ 0.0010048100000000, 0.0013709800000000, 0.0009352800000000 ] - [ 0.0018516200000000, 0.0000000000000000, 0.0006090800000000 ] - [ -0.0016527800000000, -0.0000449500000000, 0.0001194200000000 ] - [ -0.0016527800000000, 0.0000449500000000, 0.0001194200000000 ] - [ -0.0011317200000000, 0.0000000000000000, 0.0001398100000000 ] - [ -0.0061992700000000, 0.0000750300000000, -0.0015188100000000 ] - [ -0.0061992700000000, -0.0000750300000000, -0.0015188100000000 ] - [ -0.0079822100000000, 0.0000000000000000, 0.0004005000000000 ] - [ 0.0121417000000000, 0.0037890400000000, 0.0026966600000000 ] - [ 0.0121417000000000, -0.0037890400000000, 0.0026966600000000 ] - [ 0.0078117800000000, 0.0000000000000000, -0.0008814100000000 ] - [ 0.0031837400000000, 0.0000000000000000, 0.0008310300000000 ] - [ 0.0030043600000000, -0.0005632300000000, 0.0005933300000000 ] - [ 0.0030043600000000, 0.0005632300000000, 0.0005933300000000 ] - [ -0.0015158600000000, 0.0000000000000000, -0.0040130000000000 ] - [ -0.0018207600000000, 0.0015821800000000, -0.0038073800000000 ] - [ -0.0018207600000000, -0.0015821800000000, -0.0038073800000000 ] - [ -0.0065309600000000, 0.0000000000000000, 0.0022866100000000 ] - [ -0.0065221200000000, 0.0003862100000000, 0.0021401400000000 ] - [ -0.0065221200000000, -0.0003862100000000, 0.0021401400000000 ] - [ 0.0082197400000000, 0.0000000000000000, -0.0010316200000000 ] - [ 0.0080532900000000, 0.0001365300000000, -0.0011998200000000 ] - [ 0.0080532900000000, -0.0001365300000000, -0.0011998200000000 ] - [ 0.0154222300000000, 0.0000000000000000, 0.0189679800000000 ] - [ 0.0076087200000000, 0.0003417400000000, -0.0013104200000000 ] - [ 0.0076087200000000, -0.0003417400000000, -0.0013104200000000 ] - [ -0.0047418900000000, 0.0000000000000000, -0.0068906200000000 ] - [ -0.0051479600000000, 0.0007777000000000, -0.0071683800000000 ] - [ -0.0051479600000000, -0.0007777000000000, -0.0071683800000000 ] - [ 0.0086300100000000, 0.0000000000000000, 0.0213380100000000 ] - [ -0.0015806000000000, -0.0007633900000000, 0.0006873500000000 ] - [ -0.0015806000000000, 0.0007633900000000, 0.0006873500000000 ] - [ -0.0074824300000000, 0.0000000000000000, 0.0060656400000000 ] - [ -0.0081889600000000, -0.0001524100000000, 0.0060138500000000 ] - [ -0.0081889600000000, 0.0001524100000000, 0.0060138500000000 ] - [ 0.0079252800000000, 0.0000000000000000, -0.0063510600000000 ] - [ 0.0077883000000000, -0.0002343800000000, -0.0063487700000000 ] - [ 0.0077883000000000, 0.0002343800000000, -0.0063487700000000 ] - [ 0.0039665300000000, 0.0000000000000000, 0.0078503200000000 ] - [ 0.0040897700000000, -0.0001318400000000, 0.0082769200000000 ] - [ 0.0040897700000000, 0.0001318400000000, 0.0082769200000000 ] - [ -0.0068150500000000, 0.0000000000000000, 0.0010039500000000 ] - [ -0.0066301600000000, 0.0002179900000000, 0.0009041200000000 ] - [ -0.0066301600000000, -0.0002179900000000, 0.0009041200000000 ] - [ 0.0020931200000000, 0.0000000000000000, -0.0019666100000000 ] - [ 0.0021260400000000, 0.0000700500000000, -0.0018957200000000 ] - [ 0.0021260400000000, -0.0000700500000000, -0.0018957200000000 ] - [ 0.0065118200000000, 0.0000778000000000, -0.0007604700000000 ] - [ 0.0065118200000000, -0.0000778000000000, -0.0007604700000000 ] - [ 0.0065482400000000, 0.0000000000000000, -0.0006829900000000 ] - [ -0.0037437000000000, 0.0000207300000000, -0.0070430600000000 ] - [ -0.0037437000000000, -0.0000207300000000, -0.0070430600000000 ] - [ -0.0040457000000000, 0.0000000000000000, -0.0068762300000000 ] - [ -0.0026231400000000, -0.0000262100000000, 0.0014485500000000 ] - [ -0.0026231400000000, 0.0000262100000000, 0.0014485500000000 ] - [ -0.0023562400000000, 0.0000000000000000, 0.0016095500000000 ] - [ -0.0085770000000000, -0.0004702300000000, 0.0050392800000000 ] - [ -0.0085770000000000, 0.0004702300000000, 0.0050392800000000 ] - [ -0.0081488700000000, 0.0000000000000000, 0.0058104800000000 ] - [ 0.0077619900000000, 0.0001008700000000, -0.0049208100000000 ] - [ 0.0077619900000000, -0.0001008700000000, -0.0049208100000000 ] - [ 0.0086438200000000, 0.0000000000000000, -0.0054155500000000 ] - [ 0.0033357600000000, 0.0000143300000000, 0.0062463100000000 ] - [ 0.0033357600000000, -0.0000143300000000, 0.0062463100000000 ] - [ 0.0028266500000000, 0.0000000000000000, 0.0060758700000000 ] - [ -0.0073938100000000, 0.0001891100000000, 0.0002193300000000 ] - [ -0.0073938100000000, -0.0001891100000000, 0.0002193300000000 ] - [ -0.0071065700000000, 0.0000000000000000, 0.0001982100000000 ] - [ 0.0117556700000000, -0.0055897300000000, -0.0054872200000000 ] - [ 0.0117556700000000, 0.0055897300000000, -0.0054872200000000 ] - [ 0.0034024200000000, 0.0000000000000000, -0.0017418300000000 ] - [ 0.0050601700000000, -0.0004132200000000, -0.0046337000000000 ] - [ 0.0050601700000000, 0.0004132200000000, -0.0046337000000000 ] - [ 0.0009826800000000, 0.0000000000000000, -0.0021849200000000 ] - [ -0.0008316100000000, -0.0000137400000000, 0.0025311100000000 ] - [ -0.0008316100000000, 0.0000137400000000, 0.0025311100000000 ] - [ -0.0003571700000000, 0.0000000000000000, 0.0022625400000000 ] - [ -0.0002138000000000, 0.0000000000000000, -0.0022768200000000 ] - [ 0.0000017700000000, 0.0000225000000000, -0.0021625200000000 ] - [ 0.0000017700000000, -0.0000225000000000, -0.0021625200000000 ] - [ -0.0010717600000000, 0.0000000000000000, 0.0014499700000000 ] - [ -0.0008008600000000, -0.0005756800000000, 0.0015082500000000 ] - [ -0.0008008600000000, 0.0005756800000000, 0.0015082500000000 ]- atom: 1 displacement: [ -0.0099998524231531, 0.0000000000000000, -0.0000543278488306 ] forces: - [ 0.0513663900000000, 0.0000000000000000, 0.0335054600000000 ] - [ 0.0051343500000000, 0.0007821300000000, -0.0052158600000000 ] - [ 0.0051343500000000, -0.0007821300000000, -0.0052158600000000 ] - [ 0.0027067200000000, 0.0000000000000000, 0.0018927100000000 ] - [ 0.0030050500000000, 0.0003003100000000, 0.0018727700000000 ] - [ 0.0030050500000000, -0.0003003100000000, 0.0018727700000000 ] - [ -0.0038727700000000, 0.0000061300000000, -0.0019114300000000 ] - [ -0.0038727700000000, -0.0000061300000000, -0.0019114300000000 ] - [ -0.0036866700000000, 0.0000000000000000, -0.0017525700000000 ] - [ -0.0014109800000000, 0.0036167500000000, -0.0024241100000000 ] - [ -0.0014109800000000, -0.0036167500000000, -0.0024241100000000 ] - [ 0.0029946600000000, 0.0000000000000000, 0.0006894100000000 ] - [ 0.0037097700000000, 0.0013712500000000, -0.0006964700000000 ] - [ 0.0037097700000000, -0.0013712500000000, -0.0006964700000000 ] - [ 0.0028564800000000, 0.0000000000000000, -0.0003709500000000 ] - [ -0.0030589900000000, 0.0000452800000000, -0.0003553100000000 ] - [ -0.0030589900000000, -0.0000452800000000, -0.0003553100000000 ] - [ -0.0035790100000000, 0.0000000000000000, -0.0003771200000000 ] - [ -0.0087772400000000, -0.0000783200000000, 0.0040750900000000 ] - [ -0.0087772400000000, 0.0000783200000000, 0.0040750900000000 ] - [ -0.0069915100000000, 0.0000000000000000, 0.0021564200000000 ] - [ 0.0028174800000000, -0.0037856600000000, -0.0052845000000000 ] - [ 0.0028174800000000, 0.0037856600000000, -0.0052845000000000 ] - [ 0.0071532100000000, 0.0000000000000000, -0.0016760000000000 ] - [ 0.0015270600000000, 0.0000000000000000, -0.0005938600000000 ] - [ 0.0017074800000000, 0.0005599600000000, -0.0003594800000000 ] - [ 0.0017074800000000, -0.0005599600000000, -0.0003594800000000 ] - [ -0.0031914200000000, 0.0000000000000000, 0.0037683700000000 ] - [ -0.0028898300000000, -0.0015885000000000, 0.0035847900000000 ] - [ -0.0028898300000000, 0.0015885000000000, 0.0035847900000000 ] - [ -0.0084416300000000, 0.0000000000000000, 0.0002708700000000 ] - [ -0.0084494300000000, -0.0003869200000000, 0.0004144000000000 ] - [ -0.0084494300000000, 0.0003869200000000, 0.0004144000000000 ] - [ 0.0067530900000000, 0.0000000000000000, -0.0015264200000000 ] - [ 0.0069174900000000, -0.0001367300000000, -0.0013530000000000 ] - [ 0.0069174900000000, 0.0001367300000000, -0.0013530000000000 ] - [ -0.0018027100000000, 0.0000000000000000, -0.0205360200000000 ] - [ 0.0060879100000000, -0.0003439000000000, 0.0001650700000000 ] - [ 0.0060879100000000, 0.0003439000000000, 0.0001650700000000 ] - [ -0.0031965700000000, 0.0000000000000000, -0.0061305800000000 ] - [ -0.0027887400000000, -0.0007772900000000, -0.0058516900000000 ] - [ -0.0027887400000000, 0.0007772900000000, -0.0058516900000000 ] - [ -0.0134837100000000, 0.0000000000000000, -0.0175688600000000 ] - [ -0.0033163600000000, 0.0007595700000000, 0.0027056300000000 ] - [ -0.0033163600000000, -0.0007595700000000, 0.0027056300000000 ] - [ -0.0087970800000000, 0.0000000000000000, 0.0057587900000000 ] - [ -0.0080873800000000, 0.0001519000000000, 0.0058070300000000 ] - [ -0.0080873800000000, -0.0001519000000000, 0.0058070300000000 ] - [ 0.0083505800000000, 0.0000000000000000, -0.0054716200000000 ] - [ 0.0084866600000000, 0.0002342200000000, -0.0054732100000000 ] - [ 0.0084866600000000, -0.0002342200000000, -0.0054732100000000 ] - [ 0.0039705100000000, 0.0000000000000000, 0.0051695500000000 ] - [ 0.0038490800000000, 0.0001303900000000, 0.0047352900000000 ] - [ 0.0038490800000000, -0.0001303900000000, 0.0047352900000000 ] - [ -0.0068784900000000, 0.0000000000000000, 0.0001451000000000 ] - [ -0.0070617100000000, -0.0002181100000000, 0.0002458900000000 ] - [ -0.0070617100000000, 0.0002181100000000, 0.0002458900000000 ] - [ 0.0027977000000000, 0.0000000000000000, -0.0014305100000000 ] - [ 0.0027648900000000, -0.0000697300000000, -0.0015009900000000 ] - [ 0.0027648900000000, 0.0000697300000000, -0.0015009900000000 ] - [ 0.0071791700000000, -0.0000777800000000, -0.0003894500000000 ] - [ 0.0071791700000000, 0.0000777800000000, -0.0003894500000000 ] - [ 0.0071429200000000, 0.0000000000000000, -0.0004677700000000 ] - [ -0.0041955700000000, -0.0000207400000000, -0.0059810200000000 ] - [ -0.0041955700000000, 0.0000207400000000, -0.0059810200000000 ] - [ -0.0038909300000000, 0.0000000000000000, -0.0061463200000000 ] - [ -0.0022673800000000, 0.0000269500000000, 0.0019490500000000 ] - [ -0.0022673800000000, -0.0000269500000000, 0.0019490500000000 ] - [ -0.0025341700000000, 0.0000000000000000, 0.0017884500000000 ] - [ -0.0077052200000000, 0.0004624000000000, 0.0067854900000000 ] - [ -0.0077052200000000, -0.0004624000000000, 0.0067854900000000 ] - [ -0.0081260300000000, 0.0000000000000000, 0.0060136800000000 ] - [ 0.0085119800000000, -0.0000989100000000, -0.0068966200000000 ] - [ 0.0085119800000000, 0.0000989100000000, -0.0068966200000000 ] - [ 0.0076291200000000, 0.0000000000000000, -0.0064075300000000 ] - [ 0.0046010100000000, -0.0000139500000000, 0.0067763800000000 ] - [ 0.0046010100000000, 0.0000139500000000, 0.0067763800000000 ] - [ 0.0051066700000000, 0.0000000000000000, 0.0069471800000000 ] - [ -0.0062945100000000, -0.0001919000000000, 0.0009326500000000 ] - [ -0.0062945100000000, 0.0001919000000000, 0.0009326500000000 ] - [ -0.0065892300000000, 0.0000000000000000, 0.0009525500000000 ] - [ -0.0066854700000000, 0.0052942600000000, 0.0019373800000000 ] - [ -0.0066854700000000, -0.0052942600000000, 0.0019373800000000 ] - [ 0.0014866100000000, 0.0000000000000000, -0.0016543700000000 ] - [ -0.0048050400000000, 0.0002645100000000, 0.0006244400000000 ] - [ -0.0048050400000000, -0.0002645100000000, 0.0006244400000000 ] - [ -0.0005898200000000, 0.0000000000000000, -0.0019224300000000 ] - [ 0.0004395500000000, 0.0000147700000000, 0.0015770900000000 ] - [ 0.0004395500000000, -0.0000147700000000, 0.0015770900000000 ] - [ -0.0000364200000000, 0.0000000000000000, 0.0018462300000000 ] - [ 0.0006063400000000, 0.0000000000000000, -0.0018301400000000 ] - [ 0.0003908200000000, -0.0000222600000000, -0.0019463900000000 ] - [ 0.0003908200000000, 0.0000222600000000, -0.0019463900000000 ] - [ 0.0006740400000000, 0.0000000000000000, 0.0026554400000000 ] - [ 0.0004105700000000, 0.0005796000000000, 0.0026025200000000 ] - [ 0.0004105700000000, -0.0005796000000000, 0.0026025200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0034866500000000, -0.0393431400000000, -0.0015044900000000 ] - [ -0.0024521000000000, 0.0099674500000000, -0.0022838800000000 ] - [ -0.0040100600000000, 0.0098765000000000, -0.0010079400000000 ] - [ 0.0032366700000000, -0.0006871700000000, 0.0016406400000000 ] - [ 0.0029371600000000, 0.0003219400000000, 0.0016891700000000 ] - [ 0.0035361600000000, 0.0003212500000000, 0.0015919200000000 ] - [ -0.0032322200000000, -0.0000734200000000, -0.0015530600000000 ] - [ -0.0032447400000000, -0.0000733800000000, -0.0017288600000000 ] - [ -0.0032384300000000, 0.0001357500000000, -0.0016408000000000 ] - [ -0.0003511300000000, -0.0008644100000000, -0.0045615300000000 ] - [ 0.0068481700000000, -0.0008741600000000, 0.0078691100000000 ] - [ 0.0032411500000000, 0.0025984500000000, 0.0016375800000000 ] - [ 0.0014215700000000, -0.0011281000000000, 0.0001680800000000 ] - [ 0.0032963500000000, -0.0011349700000000, 0.0000627800000000 ] - [ 0.0023536100000000, 0.0018445500000000, 0.0001191000000000 ] - [ -0.0025058800000000, -0.0000197600000000, -0.0000764400000000 ] - [ -0.0022057000000000, -0.0000188700000000, -0.0001600700000000 ] - [ -0.0023538500000000, -0.0000246800000000, -0.0001182500000000 ] - [ -0.0049363100000000, -0.0007558700000000, -0.0009218500000000 ] - [ -0.0100421300000000, -0.0007528300000000, 0.0034781900000000 ] - [ -0.0074851400000000, 0.0011515400000000, 0.0012768900000000 ] - [ 0.0089286000000000, -0.0012333100000000, 0.0032229700000000 ] - [ 0.0060411500000000, -0.0012534300000000, -0.0057877300000000 ] - [ 0.0074807900000000, 0.0019218100000000, -0.0012763000000000 ] - [ 0.0023558900000000, -0.0002643600000000, 0.0001181300000000 ] - [ 0.0024366600000000, -0.0000088200000000, 0.0001699700000000 ] - [ 0.0022734100000000, -0.0000064000000000, 0.0000651700000000 ] - [ -0.0023565100000000, -0.0042936800000000, -0.0001200200000000 ] - [ -0.0015458300000000, 0.0031556400000000, -0.0030512800000000 ] - [ -0.0031663200000000, 0.0031561800000000, 0.0028300500000000 ] - [ -0.0074872300000000, 0.0001019300000000, 0.0012762800000000 ] - [ -0.0074528700000000, -0.0002042800000000, 0.0018846700000000 ] - [ -0.0075188200000000, -0.0002020900000000, 0.0006675100000000 ] - [ 0.0074865500000000, -0.0002425400000000, -0.0012776500000000 ] - [ 0.0076220800000000, 0.0001553600000000, -0.0013923200000000 ] - [ 0.0073502100000000, 0.0001551700000000, -0.0011582500000000 ] - [ 0.0069013400000000, 0.0014204300000000, -0.0004763000000000 ] - [ 0.0080169500000000, -0.0010977800000000, 0.0002910900000000 ] - [ 0.0056824900000000, -0.0010916600000000, -0.0014390100000000 ] - [ -0.0039679800000000, 0.0004982000000000, -0.0065105100000000 ] - [ -0.0041129700000000, -0.0001197400000000, -0.0067336700000000 ] - [ -0.0038263500000000, -0.0001237200000000, -0.0062898000000000 ] - [ -0.0024967800000000, 0.0034470600000000, 0.0015913900000000 ] - [ -0.0030590500000000, -0.0019566800000000, 0.0006018700000000 ] - [ -0.0018371500000000, -0.0019502700000000, 0.0027913000000000 ] - [ -0.0081403800000000, 0.0005532100000000, 0.0059127200000000 ] - [ -0.0078829400000000, -0.0002021900000000, 0.0059406000000000 ] - [ -0.0083922600000000, -0.0002020000000000, 0.0058790000000000 ] - [ 0.0081384800000000, 0.0000003400000000, -0.0059112200000000 ] - [ 0.0081620600000000, 0.0000429200000000, -0.0060567100000000 ] - [ 0.0081140700000000, 0.0000429800000000, -0.0057656400000000 ] - [ 0.0039683400000000, 0.0000628400000000, 0.0065113500000000 ] - [ 0.0035898600000000, -0.0000122800000000, 0.0075013400000000 ] - [ 0.0043504100000000, -0.0000132400000000, 0.0055106700000000 ] - [ -0.0068453100000000, 0.0009108300000000, 0.0005748700000000 ] - [ -0.0067599600000000, -0.0004067200000000, 0.0005694500000000 ] - [ -0.0069299800000000, -0.0004051500000000, 0.0005806300000000 ] - [ 0.0024461200000000, 0.0001943000000000, -0.0016985200000000 ] - [ 0.0025011600000000, -0.0000875000000000, -0.0016478300000000 ] - [ 0.0023907800000000, -0.0000873800000000, -0.0017489300000000 ] - [ 0.0067870400000000, 0.0000333100000000, -0.0005563300000000 ] - [ 0.0069042600000000, 0.0000337400000000, -0.0005940300000000 ] - [ 0.0068455300000000, -0.0001101100000000, -0.0005757500000000 ] - [ -0.0041578600000000, 0.0001533400000000, -0.0071744800000000 ] - [ -0.0037831900000000, 0.0001529600000000, -0.0058432700000000 ] - [ -0.0039678700000000, -0.0006299300000000, -0.0065112200000000 ] - [ -0.0025534800000000, 0.0000480200000000, 0.0017285000000000 ] - [ -0.0023363300000000, 0.0000473400000000, 0.0016681400000000 ] - [ -0.0024447600000000, -0.0000987600000000, 0.0016986100000000 ] - [ -0.0076694700000000, 0.0005294400000000, 0.0052668700000000 ] - [ -0.0086088400000000, 0.0005331200000000, 0.0065564200000000 ] - [ -0.0081361900000000, -0.0004195000000000, 0.0059118100000000 ] - [ 0.0087615600000000, 0.0001585900000000, -0.0049263000000000 ] - [ 0.0075124000000000, 0.0001567200000000, -0.0068963300000000 ] - [ 0.0081367500000000, -0.0009397500000000, -0.0059120600000000 ] - [ 0.0041321000000000, -0.0000008700000000, 0.0065430500000000 ] - [ 0.0038066300000000, -0.0000002500000000, 0.0064789600000000 ] - [ 0.0039676900000000, 0.0003239200000000, 0.0065108900000000 ] - [ -0.0073471500000000, 0.0005011800000000, 0.0005184400000000 ] - [ -0.0063380500000000, 0.0005045200000000, 0.0006338500000000 ] - [ -0.0068475400000000, -0.0004109800000000, 0.0005746700000000 ] - [ -0.0046101900000000, 0.0094684000000000, 0.0034979800000000 ] - [ 0.0099154200000000, 0.0099038600000000, -0.0071376600000000 ] - [ 0.0024432200000000, -0.0026135200000000, -0.0016973200000000 ] - [ 0.0025488900000000, 0.0019689400000000, -0.0045624100000000 ] - [ -0.0023577300000000, 0.0021651100000000, 0.0005673500000000 ] - [ 0.0001968300000000, -0.0016367300000000, -0.0020553400000000 ] - [ -0.0009482300000000, 0.0001440400000000, 0.0021384200000000 ] - [ 0.0005599800000000, 0.0001435000000000, 0.0019711700000000 ] - [ -0.0001955600000000, -0.0001598800000000, 0.0020545300000000 ] - [ 0.0001963100000000, 0.0000138200000000, -0.0020542900000000 ] - [ 0.0000947400000000, -0.0000016200000000, -0.0020858700000000 ] - [ 0.0002968100000000, -0.0000017800000000, -0.0020243000000000 ] - [ -0.0001981900000000, 0.0017058800000000, 0.0020516600000000 ] - [ -0.0013697900000000, -0.0012435200000000, 0.0015515200000000 ] - [ 0.0009791000000000, -0.0012432200000000, 0.0025584800000000 ]- atom: 1 displacement: [ -0.0048805429774377, 0.0000000000000000, 0.0087281326894922 ] forces: - [ -0.0068855000000000, 0.0000000000000000, -0.0648685600000000 ] - [ 0.0039900600000000, 0.0009422700000000, -0.0058101600000000 ] - [ 0.0039900600000000, -0.0009422700000000, -0.0058101600000000 ] - [ 0.0027577300000000, 0.0000000000000000, 0.0018386900000000 ] - [ 0.0029195100000000, 0.0001892700000000, 0.0017825400000000 ] - [ 0.0029195100000000, -0.0001892700000000, 0.0017825400000000 ] - [ -0.0033121200000000, -0.0000738200000000, -0.0016335800000000 ] - [ -0.0033121200000000, 0.0000738200000000, -0.0016335800000000 ] - [ -0.0033593400000000, 0.0000000000000000, -0.0016066100000000 ] - [ 0.0045526400000000, -0.0036630100000000, -0.0044018700000000 ] - [ 0.0045526400000000, 0.0036630100000000, -0.0044018700000000 ] - [ 0.0039565700000000, 0.0000000000000000, 0.0004377500000000 ] - [ 0.0021630500000000, -0.0012280100000000, 0.0017763600000000 ] - [ 0.0021630500000000, 0.0012280100000000, 0.0017763600000000 ] - [ 0.0025008500000000, 0.0000000000000000, -0.0001876000000000 ] - [ -0.0021300500000000, -0.0000645400000000, -0.0000678700000000 ] - [ -0.0021300500000000, 0.0000645400000000, -0.0000678700000000 ] - [ -0.0016595900000000, 0.0000000000000000, 0.0000885400000000 ] - [ -0.0091044400000000, -0.0001304100000000, 0.0036624500000000 ] - [ -0.0091044400000000, 0.0001304100000000, 0.0036624500000000 ] - [ -0.0075179200000000, 0.0000000000000000, 0.0018392100000000 ] - [ 0.0088479600000000, 0.0033954600000000, -0.0047745100000000 ] - [ 0.0088479600000000, -0.0033954600000000, -0.0047745100000000 ] - [ 0.0073747400000000, 0.0000000000000000, -0.0018633000000000 ] - [ 0.0023205000000000, 0.0000000000000000, 0.0004340100000000 ] - [ 0.0024230500000000, -0.0000673300000000, 0.0004894000000000 ] - [ 0.0024230500000000, 0.0000673300000000, 0.0004894000000000 ] - [ -0.0047634200000000, 0.0000000000000000, 0.0039721400000000 ] - [ -0.0030819400000000, -0.0010713100000000, 0.0025685400000000 ] - [ -0.0030819400000000, 0.0010713100000000, 0.0025685400000000 ] - [ -0.0070190300000000, 0.0000000000000000, 0.0011262900000000 ] - [ -0.0070211800000000, 0.0007559300000000, 0.0008303900000000 ] - [ -0.0070211800000000, -0.0007559300000000, 0.0008303900000000 ] - [ 0.0073262500000000, 0.0000000000000000, -0.0010140200000000 ] - [ 0.0071022600000000, 0.0001761000000000, -0.0011047900000000 ] - [ 0.0071022600000000, -0.0001761000000000, -0.0011047900000000 ] - [ 0.0174449900000000, 0.0000000000000000, 0.0261794400000000 ] - [ 0.0064638100000000, 0.0000079400000000, 0.0003824700000000 ] - [ 0.0064638100000000, -0.0000079400000000, 0.0003824700000000 ] - [ -0.0043038200000000, 0.0000000000000000, -0.0067119800000000 ] - [ -0.0047374300000000, 0.0005976300000000, -0.0071653700000000 ] - [ -0.0047374300000000, -0.0005976300000000, -0.0071653700000000 ] - [ 0.0074345500000000, 0.0000000000000000, 0.0283072500000000 ] - [ -0.0036855600000000, -0.0000222400000000, 0.0030572900000000 ] - [ -0.0036855600000000, 0.0000222400000000, 0.0030572900000000 ] - [ -0.0077986300000000, 0.0000000000000000, 0.0059198600000000 ] - [ -0.0082308700000000, -0.0001312300000000, 0.0057523600000000 ] - [ -0.0082308700000000, 0.0001312300000000, 0.0057523600000000 ] - [ 0.0080623800000000, 0.0000000000000000, -0.0059339100000000 ] - [ 0.0078743200000000, -0.0001991100000000, -0.0060372700000000 ] - [ 0.0078743200000000, 0.0001991100000000, -0.0060372700000000 ] - [ 0.0042250800000000, 0.0000000000000000, 0.0050692800000000 ] - [ 0.0043997800000000, 0.0000564300000000, 0.0053336100000000 ] - [ 0.0043997800000000, -0.0000564300000000, 0.0053336100000000 ] - [ -0.0066538500000000, 0.0000000000000000, 0.0004147000000000 ] - [ -0.0067502100000000, -0.0001803800000000, 0.0004256100000000 ] - [ -0.0067502100000000, 0.0001803800000000, 0.0004256100000000 ] - [ 0.0025857200000000, 0.0000000000000000, -0.0016637600000000 ] - [ 0.0025135900000000, -0.0000814000000000, -0.0016749400000000 ] - [ 0.0025135900000000, 0.0000814000000000, -0.0016749400000000 ] - [ 0.0069407700000000, 0.0000783200000000, -0.0006269500000000 ] - [ 0.0069407700000000, -0.0000783200000000, -0.0006269500000000 ] - [ 0.0069549700000000, 0.0000000000000000, -0.0006093100000000 ] - [ -0.0038067100000000, 0.0000047200000000, -0.0069292900000000 ] - [ -0.0038067100000000, -0.0000047200000000, -0.0069292900000000 ] - [ -0.0037627500000000, 0.0000000000000000, -0.0062517600000000 ] - [ -0.0023193300000000, 0.0000475200000000, 0.0016628600000000 ] - [ -0.0023193300000000, -0.0000475200000000, 0.0016628600000000 ] - [ -0.0023644200000000, 0.0000000000000000, 0.0016649200000000 ] - [ -0.0085180500000000, -0.0002917600000000, 0.0064134500000000 ] - [ -0.0085180500000000, 0.0002917600000000, 0.0064134500000000 ] - [ -0.0081822900000000, 0.0000000000000000, 0.0059192700000000 ] - [ 0.0083682400000000, 0.0001225500000000, -0.0064453200000000 ] - [ 0.0083682400000000, -0.0001225500000000, -0.0064453200000000 ] - [ 0.0079423300000000, 0.0000000000000000, -0.0062239000000000 ] - [ 0.0037665800000000, 0.0001162800000000, 0.0063943800000000 ] - [ 0.0037665800000000, -0.0001162800000000, 0.0063943800000000 ] - [ 0.0032360500000000, 0.0000000000000000, 0.0060427100000000 ] - [ -0.0082720100000000, 0.0008424400000000, 0.0004790800000000 ] - [ -0.0082720100000000, -0.0008424400000000, 0.0004790800000000 ] - [ -0.0071460000000000, 0.0000000000000000, 0.0006116700000000 ] - [ -0.0057421500000000, 0.0067552300000000, 0.0047588500000000 ] - [ -0.0057421500000000, -0.0067552300000000, 0.0047588500000000 ] - [ 0.0017221800000000, 0.0000000000000000, -0.0012323400000000 ] - [ -0.0038543500000000, 0.0003541600000000, 0.0021580700000000 ] - [ -0.0038543500000000, -0.0003541600000000, 0.0021580700000000 ] - [ -0.0004568000000000, 0.0000000000000000, -0.0016551700000000 ] - [ 0.0002311700000000, -0.0000010500000000, 0.0019050500000000 ] - [ 0.0002311700000000, 0.0000010500000000, 0.0019050500000000 ] - [ -0.0001011200000000, 0.0000000000000000, 0.0019876900000000 ] - [ 0.0001590300000000, 0.0000000000000000, -0.0021821800000000 ] - [ 0.0003070700000000, -0.0000399500000000, -0.0020663700000000 ] - [ 0.0003070700000000, 0.0000399500000000, -0.0020663700000000 ] - [ -0.0000091300000000, 0.0000000000000000, 0.0027249800000000 ] - [ 0.0006924000000000, 0.0007473400000000, 0.0026185300000000 ] - [ 0.0006924000000000, -0.0007473400000000, 0.0026185300000000 ]- atom: 1 displacement: [ 0.0048805429774377, 0.0000000000000000, -0.0087281326894922 ] forces: - [ 0.0002901700000000, 0.0000000000000000, 0.0615368600000000 ] - [ -0.0104600600000000, -0.0009312400000000, 0.0025228700000000 ] - [ -0.0104600600000000, 0.0009312400000000, 0.0025228700000000 ] - [ 0.0037136200000000, 0.0000000000000000, 0.0014443200000000 ] - [ 0.0035521100000000, -0.0001889500000000, 0.0014997600000000 ] - [ 0.0035521100000000, 0.0001889500000000, 0.0014997600000000 ] - [ -0.0031639100000000, 0.0000744600000000, -0.0016484000000000 ] - [ -0.0031639100000000, -0.0000744600000000, -0.0016484000000000 ] - [ -0.0031163700000000, 0.0000000000000000, -0.0016744800000000 ] - [ 0.0019199000000000, 0.0036725300000000, 0.0076839100000000 ] - [ 0.0019199000000000, -0.0036725300000000, 0.0076839100000000 ] - [ 0.0025246500000000, 0.0000000000000000, 0.0028417300000000 ] - [ 0.0025579000000000, 0.0012338500000000, -0.0015384500000000 ] - [ 0.0025579000000000, -0.0012338500000000, -0.0015384500000000 ] - [ 0.0022048700000000, 0.0000000000000000, 0.0004275600000000 ] - [ -0.0025825200000000, 0.0000651500000000, -0.0001683700000000 ] - [ -0.0025825200000000, -0.0000651500000000, -0.0001683700000000 ] - [ -0.0030532000000000, 0.0000000000000000, -0.0003262500000000 ] - [ -0.0058724900000000, 0.0001256100000000, -0.0011101500000000 ] - [ -0.0058724900000000, -0.0001256100000000, -0.0011101500000000 ] - [ -0.0074540500000000, 0.0000000000000000, 0.0007154800000000 ] - [ 0.0061297200000000, -0.0033905000000000, 0.0022111700000000 ] - [ 0.0061297200000000, 0.0033905000000000, 0.0022111700000000 ] - [ 0.0075933700000000, 0.0000000000000000, -0.0006902900000000 ] - [ 0.0023914300000000, 0.0000000000000000, -0.0001981500000000 ] - [ 0.0022895200000000, 0.0000639300000000, -0.0002561400000000 ] - [ 0.0022895200000000, -0.0000639300000000, -0.0002561400000000 ] - [ 0.0000756400000000, 0.0000000000000000, -0.0042265200000000 ] - [ -0.0016309700000000, 0.0010607400000000, -0.0027894300000000 ] - [ -0.0016309700000000, -0.0010607400000000, -0.0027894300000000 ] - [ -0.0079535600000000, 0.0000000000000000, 0.0014254000000000 ] - [ -0.0079501800000000, -0.0007567900000000, 0.0017210500000000 ] - [ -0.0079501800000000, 0.0007567900000000, 0.0017210500000000 ] - [ 0.0076466700000000, 0.0000000000000000, -0.0015439300000000 ] - [ 0.0078698600000000, -0.0001777400000000, -0.0014455400000000 ] - [ 0.0078698600000000, 0.0001777400000000, -0.0014455400000000 ] - [ -0.0041412500000000, 0.0000000000000000, -0.0276350500000000 ] - [ 0.0072261500000000, -0.0000101900000000, -0.0015256300000000 ] - [ 0.0072261500000000, 0.0000101900000000, -0.0015256300000000 ] - [ -0.0036337600000000, 0.0000000000000000, -0.0063092500000000 ] - [ -0.0031974700000000, -0.0005996300000000, -0.0058540900000000 ] - [ -0.0031974700000000, 0.0005996300000000, -0.0058540900000000 ] - [ -0.0119297100000000, 0.0000000000000000, -0.0245249200000000 ] - [ -0.0012074400000000, 0.0000167200000000, 0.0003295500000000 ] - [ -0.0012074400000000, -0.0000167200000000, 0.0003295500000000 ] - [ -0.0084879000000000, 0.0000000000000000, 0.0059106200000000 ] - [ -0.0080467700000000, 0.0001307800000000, 0.0060679800000000 ] - [ -0.0080467700000000, -0.0001307800000000, 0.0060679800000000 ] - [ 0.0082151600000000, 0.0000000000000000, -0.0058880300000000 ] - [ 0.0084027800000000, 0.0001992800000000, -0.0057844600000000 ] - [ 0.0084027800000000, -0.0001992800000000, -0.0057844600000000 ] - [ 0.0037124800000000, 0.0000000000000000, 0.0079476400000000 ] - [ 0.0035388000000000, -0.0000564300000000, 0.0076797300000000 ] - [ 0.0035388000000000, 0.0000564300000000, 0.0076797300000000 ] - [ -0.0070378900000000, 0.0000000000000000, 0.0007326100000000 ] - [ -0.0069399700000000, 0.0001797600000000, 0.0007227400000000 ] - [ -0.0069399700000000, -0.0001797600000000, 0.0007227400000000 ] - [ 0.0023059400000000, 0.0000000000000000, -0.0017310900000000 ] - [ 0.0023777600000000, 0.0000821000000000, -0.0017193900000000 ] - [ 0.0023777600000000, -0.0000821000000000, -0.0017193900000000 ] - [ 0.0067491500000000, -0.0000793600000000, -0.0005206400000000 ] - [ 0.0067491500000000, 0.0000793600000000, -0.0005206400000000 ] - [ 0.0067343600000000, 0.0000000000000000, -0.0005399900000000 ] - [ -0.0041340200000000, -0.0000043100000000, -0.0060935600000000 ] - [ -0.0041340200000000, 0.0000043100000000, -0.0060935600000000 ] - [ -0.0041736500000000, 0.0000000000000000, -0.0067725800000000 ] - [ -0.0025714400000000, -0.0000473400000000, 0.0017315500000000 ] - [ -0.0025714400000000, 0.0000473400000000, 0.0017315500000000 ] - [ -0.0025258700000000, 0.0000000000000000, 0.0017303100000000 ] - [ -0.0077654000000000, 0.0002849800000000, 0.0054097900000000 ] - [ -0.0077654000000000, -0.0002849800000000, 0.0054097900000000 ] - [ -0.0080945500000000, 0.0000000000000000, 0.0059046300000000 ] - [ 0.0079089600000000, -0.0001241200000000, -0.0053756800000000 ] - [ 0.0079089600000000, 0.0001241200000000, -0.0053756800000000 ] - [ 0.0083318600000000, 0.0000000000000000, -0.0056002500000000 ] - [ 0.0041706000000000, -0.0001164700000000, 0.0066285800000000 ] - [ 0.0041706000000000, 0.0001164700000000, 0.0066285800000000 ] - [ 0.0046987500000000, 0.0000000000000000, 0.0069812400000000 ] - [ -0.0054183500000000, -0.0008429200000000, 0.0006710200000000 ] - [ -0.0054183500000000, 0.0008429200000000, 0.0006710200000000 ] - [ -0.0065471300000000, 0.0000000000000000, 0.0005374900000000 ] - [ 0.0108376400000000, -0.0070425900000000, -0.0082268300000000 ] - [ 0.0108376400000000, 0.0070425900000000, -0.0082268300000000 ] - [ 0.0031662700000000, 0.0000000000000000, -0.0021599400000000 ] - [ 0.0041007100000000, -0.0004938600000000, -0.0061983300000000 ] - [ 0.0041007100000000, 0.0004938600000000, -0.0061983300000000 ] - [ 0.0008441100000000, 0.0000000000000000, -0.0024547900000000 ] - [ -0.0006165500000000, 0.0000010800000000, 0.0022048100000000 ] - [ -0.0006165500000000, -0.0000010800000000, 0.0022048100000000 ] - [ -0.0002871700000000, 0.0000000000000000, 0.0021225900000000 ] - [ 0.0002301000000000, 0.0000000000000000, -0.0019252300000000 ] - [ 0.0000798000000000, 0.0000406300000000, -0.0020439800000000 ] - [ 0.0000798000000000, -0.0000406300000000, -0.0020439800000000 ] - [ -0.0003857800000000, 0.0000000000000000, 0.0013861700000000 ] - [ -0.0010826200000000, -0.0007480500000000, 0.0014926000000000 ] - [ -0.0010826200000000, 0.0007480500000000, 0.0014926000000000 ]- atom: 13 displacement: [ 0.0099998524231531, 0.0000000000000000, 0.0000543278488306 ] forces: - [ -0.0045795900000000, -0.0009346700000000, -0.0026061800000000 ] - [ -0.0037367100000000, 0.0000000000000000, -0.0017527400000000 ] - [ -0.0045795900000000, 0.0009346700000000, -0.0026061800000000 ] - [ 0.0039379200000000, 0.0001505700000000, 0.0022896900000000 ] - [ 0.0044523300000000, 0.0000000000000000, 0.0031170200000000 ] - [ 0.0039379200000000, -0.0001505700000000, 0.0022896900000000 ] - [ -0.0024069900000000, 0.0000000000000000, -0.0012144600000000 ] - [ -0.0025933400000000, -0.0000790600000000, -0.0012019300000000 ] - [ -0.0025933400000000, 0.0000790600000000, -0.0012019300000000 ] - [ 0.0040672100000000, 0.0000000000000000, -0.0006480200000000 ] - [ 0.0037530700000000, 0.0007865700000000, 0.0011181900000000 ] - [ 0.0037530700000000, -0.0007865700000000, 0.0011181900000000 ] - [ -0.0500472900000000, 0.0000000000000000, -0.0001156600000000 ] - [ -0.0071470000000000, 0.0018445300000000, -0.0029729800000000 ] - [ -0.0071470000000000, -0.0018445300000000, -0.0029729800000000 ] - [ -0.0017758800000000, 0.0000000000000000, 0.0002200200000000 ] - [ -0.0019998200000000, 0.0001659300000000, 0.0001744900000000 ] - [ -0.0019998200000000, -0.0001659300000000, 0.0001744900000000 ] - [ -0.0022794700000000, 0.0000000000000000, 0.0025583200000000 ] - [ -0.0039693500000000, -0.0045261500000000, 0.0019196200000000 ] - [ -0.0039693500000000, 0.0045261500000000, 0.0019196200000000 ] - [ 0.0078465300000000, 0.0000000000000000, -0.0005825800000000 ] - [ 0.0077879100000000, 0.0000183500000000, -0.0010920200000000 ] - [ 0.0077879100000000, -0.0000183500000000, -0.0010920200000000 ] - [ 0.0030662500000000, 0.0000172300000000, 0.0003318600000000 ] - [ 0.0034119000000000, 0.0000000000000000, 0.0003158700000000 ] - [ 0.0030662500000000, -0.0000172300000000, 0.0003318600000000 ] - [ 0.0005097000000000, -0.0018936700000000, -0.0062669600000000 ] - [ -0.0041565700000000, 0.0000000000000000, -0.0012802800000000 ] - [ 0.0005097000000000, 0.0018936700000000, -0.0062669600000000 ] - [ -0.0066070300000000, 0.0008058900000000, 0.0018089800000000 ] - [ -0.0069730100000000, 0.0000000000000000, 0.0017907300000000 ] - [ -0.0066070300000000, -0.0008058900000000, 0.0018089800000000 ] - [ 0.0037589300000000, -0.0020095900000000, 0.0042960500000000 ] - [ 0.0067606600000000, 0.0000000000000000, -0.0016412800000000 ] - [ 0.0037589300000000, 0.0020095900000000, 0.0042960500000000 ] - [ 0.0066723500000000, 0.0001402300000000, -0.0009570400000000 ] - [ 0.0065232800000000, 0.0000000000000000, -0.0007647900000000 ] - [ 0.0066723500000000, -0.0001402300000000, -0.0009570400000000 ] - [ -0.0045077700000000, -0.0000438300000000, -0.0066551400000000 ] - [ -0.0045390600000000, 0.0000000000000000, -0.0066565500000000 ] - [ -0.0045077700000000, 0.0000438300000000, -0.0066551400000000 ] - [ -0.0014216100000000, 0.0005747000000000, 0.0024467600000000 ] - [ -0.0025402500000000, 0.0000000000000000, 0.0022612200000000 ] - [ -0.0014216100000000, -0.0005747000000000, 0.0024467600000000 ] - [ 0.0108849900000000, 0.0107489300000000, 0.0116871200000000 ] - [ -0.0063534800000000, 0.0000000000000000, 0.0073726900000000 ] - [ 0.0108849900000000, -0.0107489300000000, 0.0116871200000000 ] - [ 0.0082105200000000, -0.0000437700000000, -0.0061407600000000 ] - [ 0.0080630100000000, 0.0000000000000000, -0.0061037500000000 ] - [ 0.0082105200000000, 0.0000437700000000, -0.0061407600000000 ] - [ 0.0077743400000000, -0.0022571100000000, 0.0087025300000000 ] - [ 0.0076756400000000, 0.0000000000000000, 0.0074935800000000 ] - [ 0.0077743400000000, 0.0022571100000000, 0.0087025300000000 ] - [ -0.0075757800000000, 0.0004504800000000, 0.0003837900000000 ] - [ -0.0099100300000000, 0.0000000000000000, 0.0005866900000000 ] - [ -0.0075757800000000, -0.0004504800000000, 0.0003837900000000 ] - [ 0.0020889500000000, -0.0000773600000000, -0.0018521300000000 ] - [ 0.0018867800000000, 0.0000000000000000, -0.0019182300000000 ] - [ 0.0020889500000000, 0.0000773600000000, -0.0018521300000000 ] - [ 0.0072430900000000, 0.0000000000000000, -0.0005759800000000 ] - [ 0.0073115600000000, 0.0006433500000000, -0.0014882800000000 ] - [ 0.0073115600000000, -0.0006433500000000, -0.0014882800000000 ] - [ 0.0057299900000000, 0.0000000000000000, -0.0179080600000000 ] - [ -0.0018576700000000, -0.0001143600000000, -0.0063981200000000 ] - [ -0.0018576700000000, 0.0001143600000000, -0.0063981200000000 ] - [ -0.0028205000000000, 0.0000000000000000, 0.0015048000000000 ] - [ -0.0029926800000000, -0.0000995600000000, 0.0013514300000000 ] - [ -0.0029926800000000, 0.0000995600000000, 0.0013514300000000 ] - [ -0.0082286800000000, 0.0000000000000000, 0.0055938700000000 ] - [ -0.0083755100000000, 0.0000563800000000, 0.0057837300000000 ] - [ -0.0083755100000000, -0.0000563800000000, 0.0057837300000000 ] - [ 0.0077837600000000, 0.0000000000000000, -0.0053065000000000 ] - [ 0.0075311600000000, 0.0016771900000000, -0.0051460500000000 ] - [ 0.0075311600000000, -0.0016771900000000, -0.0051460500000000 ] - [ 0.0033730700000000, 0.0000000000000000, 0.0062643200000000 ] - [ 0.0031451500000000, -0.0002072300000000, 0.0061168100000000 ] - [ 0.0031451500000000, 0.0002072300000000, 0.0061168100000000 ] - [ -0.0076189900000000, 0.0000000000000000, -0.0001132100000000 ] - [ -0.0070942200000000, -0.0000934700000000, 0.0003924900000000 ] - [ -0.0070942200000000, 0.0000934700000000, 0.0003924900000000 ] - [ 0.0018143600000000, 0.0000000000000000, -0.0000776700000000 ] - [ 0.0022136400000000, -0.0002748000000000, -0.0003423800000000 ] - [ 0.0022136400000000, 0.0002748000000000, -0.0003423800000000 ] - [ 0.0007543100000000, 0.0000000000000000, -0.0031687600000000 ] - [ 0.0007903600000000, -0.0001191600000000, -0.0021988500000000 ] - [ 0.0007903600000000, 0.0001191600000000, -0.0021988500000000 ] - [ -0.0004283700000000, 0.0000000000000000, 0.0017932800000000 ] - [ -0.0003687200000000, -0.0001438200000000, 0.0016469200000000 ] - [ -0.0003687200000000, 0.0001438200000000, 0.0016469200000000 ] - [ -0.0002817200000000, -0.0001149600000000, -0.0026860000000000 ] - [ 0.0002162200000000, 0.0000000000000000, -0.0023955800000000 ] - [ -0.0002817200000000, 0.0001149600000000, -0.0026860000000000 ] - [ 0.0001739500000000, 0.0000412100000000, 0.0021180300000000 ] - [ -0.0002646800000000, 0.0000000000000000, 0.0022243300000000 ] - [ 0.0001739500000000, -0.0000412100000000, 0.0021180300000000 ]- atom: 13 displacement: [ -0.0099998524231531, 0.0000000000000000, -0.0000543278488306 ] forces: - [ -0.0018908600000000, 0.0009381500000000, -0.0006745300000000 ] - [ -0.0027392000000000, 0.0000000000000000, -0.0015302700000000 ] - [ -0.0018908600000000, -0.0009381500000000, -0.0006745300000000 ] - [ 0.0025347300000000, -0.0001496200000000, 0.0009870800000000 ] - [ 0.0020194800000000, 0.0000000000000000, 0.0001579200000000 ] - [ 0.0025347300000000, 0.0001496200000000, 0.0009870800000000 ] - [ -0.0040721900000000, 0.0000000000000000, -0.0020676600000000 ] - [ -0.0038897800000000, 0.0000860000000000, -0.0020865400000000 ] - [ -0.0038897800000000, -0.0000860000000000, -0.0020865400000000 ] - [ 0.0024095900000000, 0.0000000000000000, 0.0039171900000000 ] - [ 0.0027185300000000, -0.0008042800000000, 0.0021693800000000 ] - [ 0.0027185300000000, 0.0008042800000000, 0.0021693800000000 ] - [ 0.0545022900000000, 0.0000000000000000, -0.0001117200000000 ] - [ 0.0118952000000000, -0.0018619700000000, 0.0032176200000000 ] - [ 0.0118952000000000, 0.0018619700000000, 0.0032176200000000 ] - [ -0.0029394000000000, 0.0000000000000000, -0.0004565600000000 ] - [ -0.0027153100000000, -0.0001676300000000, -0.0004090200000000 ] - [ -0.0027153100000000, 0.0001676300000000, -0.0004090200000000 ] - [ -0.0127669600000000, 0.0000000000000000, -0.0000273500000000 ] - [ -0.0110192400000000, 0.0045326500000000, 0.0006289200000000 ] - [ -0.0110192400000000, -0.0045326500000000, 0.0006289200000000 ] - [ 0.0071206100000000, 0.0000000000000000, -0.0019733300000000 ] - [ 0.0071807300000000, -0.0000185600000000, -0.0014612700000000 ] - [ 0.0071807300000000, 0.0000185600000000, -0.0014612700000000 ] - [ 0.0016403000000000, -0.0000169000000000, -0.0000974000000000 ] - [ 0.0012983800000000, 0.0000000000000000, -0.0000817500000000 ] - [ 0.0016403000000000, 0.0000169000000000, -0.0000974000000000 ] - [ -0.0052370800000000, 0.0019022400000000, 0.0061028900000000 ] - [ -0.0005571600000000, 0.0000000000000000, 0.0010570700000000 ] - [ -0.0052370800000000, -0.0019022400000000, 0.0061028900000000 ] - [ -0.0083614700000000, -0.0007883000000000, 0.0007463200000000 ] - [ -0.0080052700000000, 0.0000000000000000, 0.0007534700000000 ] - [ -0.0083614700000000, 0.0007883000000000, 0.0007463200000000 ] - [ 0.0112245400000000, 0.0020094500000000, -0.0068685400000000 ] - [ 0.0082297400000000, 0.0000000000000000, -0.0009016000000000 ] - [ 0.0112245400000000, -0.0020094500000000, -0.0068685400000000 ] - [ 0.0070209500000000, -0.0001409400000000, -0.0001916400000000 ] - [ 0.0071690300000000, 0.0000000000000000, -0.0003836200000000 ] - [ 0.0070209500000000, 0.0001409400000000, -0.0001916400000000 ] - [ -0.0034243400000000, 0.0000442700000000, -0.0063656000000000 ] - [ -0.0033963100000000, 0.0000000000000000, -0.0063653600000000 ] - [ -0.0034243400000000, -0.0000442700000000, -0.0063656000000000 ] - [ -0.0034471800000000, -0.0005433200000000, 0.0009295200000000 ] - [ -0.0023536200000000, 0.0000000000000000, 0.0011346700000000 ] - [ -0.0034471800000000, 0.0005433200000000, 0.0009295200000000 ] - [ -0.0268219100000000, -0.0102491200000000, 0.0003692800000000 ] - [ -0.0099382300000000, 0.0000000000000000, 0.0044366800000000 ] - [ -0.0268219100000000, 0.0102491200000000, 0.0003692800000000 ] - [ 0.0080659700000000, 0.0000430000000000, -0.0056772100000000 ] - [ 0.0082147100000000, 0.0000000000000000, -0.0057161300000000 ] - [ 0.0080659700000000, -0.0000430000000000, -0.0056772100000000 ] - [ -0.0000476300000000, 0.0024564400000000, 0.0042533800000000 ] - [ 0.0002616700000000, 0.0000000000000000, 0.0055213200000000 ] - [ -0.0000476300000000, -0.0024564400000000, 0.0042533800000000 ] - [ -0.0061058500000000, -0.0004592100000000, 0.0007674700000000 ] - [ -0.0037763800000000, 0.0000000000000000, 0.0005643900000000 ] - [ -0.0061058500000000, 0.0004592100000000, 0.0007674700000000 ] - [ 0.0028040300000000, 0.0000755500000000, -0.0015447900000000 ] - [ 0.0030133400000000, 0.0000000000000000, -0.0014754100000000 ] - [ 0.0028040300000000, -0.0000755500000000, -0.0015447900000000 ] - [ 0.0064466900000000, 0.0000000000000000, -0.0005762900000000 ] - [ 0.0063774100000000, -0.0006437100000000, 0.0003530200000000 ] - [ 0.0063774100000000, 0.0006437100000000, 0.0003530200000000 ] - [ -0.0136734500000000, 0.0000000000000000, 0.0049799800000000 ] - [ -0.0060851700000000, 0.0001085500000000, -0.0066307200000000 ] - [ -0.0060851700000000, -0.0001085500000000, -0.0066307200000000 ] - [ -0.0020680900000000, 0.0000000000000000, 0.0018939400000000 ] - [ -0.0018952000000000, 0.0000985000000000, 0.0020478400000000 ] - [ -0.0018952000000000, -0.0000985000000000, 0.0020478400000000 ] - [ -0.0080460600000000, 0.0000000000000000, 0.0062297000000000 ] - [ -0.0078981700000000, -0.0000552500000000, 0.0060380100000000 ] - [ -0.0078981700000000, 0.0000552500000000, 0.0060380100000000 ] - [ 0.0084999000000000, 0.0000000000000000, -0.0065228200000000 ] - [ 0.0087458400000000, -0.0016753400000000, -0.0066785500000000 ] - [ 0.0087458400000000, 0.0016753400000000, -0.0066785500000000 ] - [ 0.0045672300000000, 0.0000000000000000, 0.0067576800000000 ] - [ 0.0047932400000000, 0.0002022700000000, 0.0069041000000000 ] - [ 0.0047932400000000, -0.0002022700000000, 0.0069041000000000 ] - [ -0.0060895400000000, 0.0000000000000000, 0.0012632000000000 ] - [ -0.0065903600000000, 0.0000950300000000, 0.0007604900000000 ] - [ -0.0065903600000000, -0.0000950300000000, 0.0007604900000000 ] - [ 0.0030772400000000, 0.0000000000000000, -0.0033316900000000 ] - [ 0.0026790900000000, 0.0002762000000000, -0.0030688200000000 ] - [ 0.0026790900000000, -0.0002762000000000, -0.0030688200000000 ] - [ -0.0003678600000000, 0.0000000000000000, -0.0009307700000000 ] - [ -0.0003999500000000, 0.0001174000000000, -0.0019071400000000 ] - [ -0.0003999500000000, -0.0001174000000000, -0.0019071400000000 ] - [ 0.0000385600000000, 0.0000000000000000, 0.0023187500000000 ] - [ -0.0000214400000000, 0.0001423100000000, 0.0024636300000000 ] - [ -0.0000214400000000, -0.0001423100000000, 0.0024636300000000 ] - [ 0.0006721000000000, 0.0001126500000000, -0.0014223700000000 ] - [ 0.0001723300000000, 0.0000000000000000, -0.0017077600000000 ] - [ 0.0006721000000000, -0.0001126500000000, -0.0014223700000000 ] - [ -0.0005639300000000, -0.0000438600000000, 0.0019911900000000 ] - [ -0.0001266500000000, 0.0000000000000000, 0.0018821800000000 ] - [ -0.0005639300000000, 0.0000438600000000, 0.0019911900000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0046027100000000, -0.0011329500000000, -0.0038174500000000 ] - [ -0.0032393300000000, 0.0018438400000000, -0.0016412900000000 ] - [ -0.0018842400000000, -0.0011338300000000, 0.0005231200000000 ] - [ 0.0032806400000000, -0.0000183100000000, 0.0017380100000000 ] - [ 0.0032371800000000, -0.0000262200000000, 0.0016395700000000 ] - [ 0.0031901700000000, -0.0000202600000000, 0.0015399800000000 ] - [ -0.0032364300000000, -0.0002655800000000, -0.0016406800000000 ] - [ -0.0026807500000000, -0.0000063800000000, -0.0012567200000000 ] - [ -0.0037990900000000, -0.0000138300000000, -0.0020331700000000 ] - [ 0.0032458200000000, -0.0042938100000000, 0.0016422400000000 ] - [ 0.0048315000000000, 0.0031580600000000, 0.0013071800000000 ] - [ 0.0016546600000000, 0.0031523800000000, 0.0019747700000000 ] - [ 0.0020133400000000, -0.0547297600000000, -0.0000919600000000 ] - [ 0.0005231300000000, 0.0135090900000000, -0.0006883200000000 ] - [ 0.0042209200000000, 0.0133836800000000, 0.0009409700000000 ] - [ -0.0023550500000000, -0.0008011500000000, -0.0001173100000000 ] - [ -0.0021896600000000, 0.0004339600000000, -0.0000510000000000 ] - [ -0.0025225500000000, 0.0004314200000000, -0.0001834300000000 ] - [ -0.0074971400000000, -0.0062817700000000, 0.0012724800000000 ] - [ -0.0122232000000000, 0.0058647700000000, 0.0004190800000000 ] - [ -0.0027407400000000, 0.0058652300000000, 0.0021349200000000 ] - [ 0.0074845000000000, 0.0000598100000000, -0.0012766100000000 ] - [ 0.0074018200000000, 0.0000261000000000, -0.0016800200000000 ] - [ 0.0075674400000000, 0.0000260200000000, -0.0008741600000000 ] - [ 0.0023366100000000, 0.0000885100000000, 0.0001746800000000 ] - [ 0.0023541900000000, -0.0000978800000000, 0.0001163400000000 ] - [ 0.0023714200000000, 0.0000869800000000, 0.0000596300000000 ] - [ -0.0042785200000000, -0.0014684200000000, 0.0057600200000000 ] - [ -0.0023588600000000, 0.0029760500000000, -0.0001162900000000 ] - [ -0.0004190000000000, -0.0014464500000000, -0.0059535100000000 ] - [ -0.0072384500000000, -0.0004594800000000, 0.0014191500000000 ] - [ -0.0074852800000000, 0.0009887600000000, 0.0012732800000000 ] - [ -0.0077327100000000, -0.0004605900000000, 0.0011301000000000 ] - [ 0.0065453800000000, -0.0009689100000000, 0.0062094400000000 ] - [ 0.0074962700000000, 0.0019518300000000, -0.0012733900000000 ] - [ 0.0084167300000000, -0.0009537200000000, -0.0087515600000000 ] - [ 0.0067277600000000, 0.0001291400000000, -0.0005986800000000 ] - [ 0.0068464900000000, -0.0004283000000000, -0.0005748200000000 ] - [ 0.0069659700000000, 0.0001297800000000, -0.0005521800000000 ] - [ -0.0039570100000000, -0.0000334900000000, -0.0064969800000000 ] - [ -0.0039685600000000, -0.0000837700000000, -0.0065105000000000 ] - [ -0.0039782300000000, -0.0000330300000000, -0.0065235300000000 ] - [ -0.0027757700000000, 0.0002623400000000, 0.0029603000000000 ] - [ -0.0024476800000000, -0.0015536100000000, 0.0016996500000000 ] - [ -0.0020987900000000, 0.0002249300000000, 0.0004157000000000 ] - [ 0.0070694300000000, 0.0138537100000000, 0.0106260000000000 ] - [ -0.0081488100000000, -0.0029862900000000, 0.0059037700000000 ] - [ -0.0228449700000000, 0.0133230000000000, 0.0014507600000000 ] - [ 0.0080881800000000, 0.0000868600000000, -0.0062849200000000 ] - [ 0.0081377300000000, -0.0002091300000000, -0.0059104700000000 ] - [ 0.0081809800000000, 0.0000870200000000, -0.0055375100000000 ] - [ 0.0030269700000000, 0.0034176900000000, 0.0052680100000000 ] - [ 0.0039774700000000, -0.0036673800000000, 0.0065098500000000 ] - [ 0.0047081000000000, 0.0032362300000000, 0.0077065300000000 ] - [ -0.0075838100000000, 0.0006847000000000, 0.0009080400000000 ] - [ -0.0068519500000000, -0.0040867000000000, 0.0005755500000000 ] - [ -0.0061056100000000, 0.0006944600000000, 0.0002439900000000 ] - [ 0.0024575700000000, 0.0001694100000000, -0.0016132100000000 ] - [ 0.0024497000000000, -0.0006110000000000, -0.0016975200000000 ] - [ 0.0024352300000000, 0.0001725500000000, -0.0017849300000000 ] - [ 0.0068419100000000, 0.0000692400000000, -0.0005806800000000 ] - [ 0.0069996600000000, -0.0002731100000000, -0.0014108300000000 ] - [ 0.0066945200000000, -0.0002771100000000, 0.0002740100000000 ] - [ -0.0039611900000000, 0.0051984700000000, -0.0065346300000000 ] - [ -0.0034058000000000, -0.0013413900000000, -0.0071064500000000 ] - [ -0.0045335300000000, -0.0013345900000000, -0.0059224100000000 ] - [ -0.0024449200000000, 0.0001341700000000, 0.0016998400000000 ] - [ -0.0025748100000000, -0.0000777600000000, 0.0016263500000000 ] - [ -0.0023151300000000, -0.0000752700000000, 0.0017733100000000 ] - [ -0.0081367700000000, 0.0000231400000000, 0.0059111200000000 ] - [ -0.0081268800000000, -0.0000654700000000, 0.0060636100000000 ] - [ -0.0081459400000000, -0.0000655300000000, 0.0057588700000000 ] - [ 0.0081379500000000, 0.0010521200000000, -0.0059140600000000 ] - [ 0.0081262000000000, -0.0014432900000000, -0.0067150100000000 ] - [ 0.0081425700000000, -0.0014525400000000, -0.0051089800000000 ] - [ 0.0039690100000000, 0.0001739100000000, 0.0065110700000000 ] - [ 0.0040871800000000, -0.0001457200000000, 0.0066722500000000 ] - [ 0.0038531400000000, -0.0001451900000000, 0.0063504100000000 ] - [ -0.0068465700000000, 0.0002754100000000, 0.0005760600000000 ] - [ -0.0074203000000000, -0.0004102700000000, 0.0002509900000000 ] - [ -0.0062706400000000, -0.0004114500000000, 0.0009027500000000 ] - [ 0.0024446300000000, 0.0028954900000000, -0.0016952800000000 ] - [ 0.0024481300000000, -0.0020148100000000, -0.0007162700000000 ] - [ 0.0024445500000000, -0.0020106300000000, -0.0026843200000000 ] - [ 0.0001957600000000, 0.0008862600000000, -0.0020541400000000 ] - [ 0.0004400400000000, -0.0004747700000000, -0.0017479400000000 ] - [ -0.0000475000000000, -0.0004723800000000, -0.0023587500000000 ] - [ -0.0001946400000000, -0.0000099200000000, 0.0020558100000000 ] - [ 0.0000411400000000, -0.0000055700000000, 0.0022238200000000 ] - [ -0.0004306900000000, -0.0000030000000000, 0.0018846800000000 ] - [ -0.0004333800000000, 0.0001957000000000, -0.0026895500000000 ] - [ 0.0001942000000000, -0.0005572600000000, -0.0020512500000000 ] - [ 0.0008215300000000, 0.0001993200000000, -0.0014207900000000 ] - [ -0.0001917000000000, 0.0003020100000000, 0.0020355800000000 ] - [ -0.0001970200000000, -0.0006845700000000, 0.0020532100000000 ] - [ -0.0002030800000000, 0.0002999800000000, 0.0020766000000000 ]- atom: 13 displacement: [ -0.0048805429774377, 0.0000000000000000, 0.0087281326894922 ] forces: - [ -0.0018866300000000, 0.0004983300000000, 0.0008691100000000 ] - [ -0.0025706600000000, 0.0000000000000000, -0.0016545900000000 ] - [ -0.0018866300000000, -0.0004983300000000, 0.0008691100000000 ] - [ 0.0031039100000000, -0.0001096700000000, 0.0014912200000000 ] - [ 0.0028701600000000, 0.0000000000000000, 0.0012553900000000 ] - [ 0.0031039100000000, 0.0001096700000000, 0.0014912200000000 ] - [ -0.0030238100000000, 0.0000000000000000, -0.0011857400000000 ] - [ -0.0031408500000000, -0.0000057400000000, -0.0012497400000000 ] - [ -0.0031408500000000, 0.0000057400000000, -0.0012497400000000 ] - [ -0.0005546000000000, 0.0000000000000000, 0.0049285300000000 ] - [ -0.0002331400000000, -0.0029505400000000, 0.0027648700000000 ] - [ -0.0002331400000000, 0.0029505400000000, 0.0027648700000000 ] - [ 0.0285076700000000, 0.0000000000000000, -0.0538654700000000 ] - [ 0.0043183900000000, -0.0002091900000000, -0.0011905600000000 ] - [ 0.0043183900000000, 0.0002091900000000, -0.0011905600000000 ] - [ -0.0023433300000000, 0.0000000000000000, -0.0003060500000000 ] - [ -0.0022737200000000, -0.0000243700000000, -0.0003654700000000 ] - [ -0.0022737200000000, 0.0000243700000000, -0.0003654700000000 ] - [ -0.0084127800000000, 0.0000000000000000, 0.0002285800000000 ] - [ -0.0080955400000000, 0.0008677400000000, 0.0011666900000000 ] - [ -0.0080955400000000, -0.0008677400000000, 0.0011666900000000 ] - [ 0.0079073000000000, 0.0000000000000000, -0.0007609700000000 ] - [ 0.0077757600000000, 0.0000031400000000, -0.0011778000000000 ] - [ 0.0077757600000000, -0.0000031400000000, -0.0011778000000000 ] - [ 0.0021948500000000, -0.0000583600000000, 0.0002225800000000 ] - [ 0.0020146300000000, 0.0000000000000000, 0.0001902600000000 ] - [ 0.0021948500000000, 0.0000583600000000, 0.0002225800000000 ] - [ -0.0091679200000000, 0.0060622900000000, 0.0002147800000000 ] - [ -0.0025015600000000, 0.0000000000000000, 0.0015451800000000 ] - [ -0.0091679200000000, -0.0060622900000000, 0.0002147800000000 ] - [ -0.0082986900000000, -0.0006543600000000, 0.0012464900000000 ] - [ -0.0080664200000000, 0.0000000000000000, 0.0014190200000000 ] - [ -0.0082986900000000, 0.0006543600000000, 0.0012464900000000 ] - [ 0.0138011600000000, 0.0064278400000000, -0.0005384400000000 ] - [ 0.0070446800000000, 0.0000000000000000, -0.0011001900000000 ] - [ 0.0138011600000000, -0.0064278400000000, -0.0005384400000000 ] - [ 0.0067802500000000, -0.0000053100000000, -0.0005417000000000 ] - [ 0.0066128300000000, 0.0000000000000000, -0.0005064500000000 ] - [ 0.0067802500000000, 0.0000053100000000, -0.0005417000000000 ] - [ -0.0039385900000000, 0.0000133800000000, -0.0065655200000000 ] - [ -0.0038438200000000, 0.0000000000000000, -0.0065187400000000 ] - [ -0.0039385900000000, -0.0000133800000000, -0.0065655200000000 ] - [ -0.0011622300000000, 0.0011807600000000, 0.0004994500000000 ] - [ -0.0022003800000000, 0.0000000000000000, 0.0016860200000000 ] - [ -0.0011622300000000, -0.0011807600000000, 0.0004994500000000 ] - [ -0.0105798000000000, -0.0005431000000000, 0.0085638200000000 ] - [ -0.0084134200000000, 0.0000000000000000, 0.0056201800000000 ] - [ -0.0105798000000000, 0.0005431000000000, 0.0085638200000000 ] - [ 0.0082618400000000, 0.0000427500000000, -0.0058683100000000 ] - [ 0.0083345300000000, 0.0000000000000000, -0.0056246500000000 ] - [ 0.0082618400000000, -0.0000427500000000, -0.0058683100000000 ] - [ 0.0015062600000000, 0.0019501300000000, 0.0066734600000000 ] - [ 0.0035564100000000, 0.0000000000000000, 0.0057521400000000 ] - [ 0.0015062600000000, -0.0019501300000000, 0.0066734600000000 ] - [ -0.0066916100000000, -0.0001184700000000, 0.0007023600000000 ] - [ -0.0059564500000000, 0.0000000000000000, 0.0007566400000000 ] - [ -0.0066916100000000, 0.0001184700000000, 0.0007023600000000 ] - [ 0.0023317800000000, -0.0000404000000000, -0.0017618200000000 ] - [ 0.0024059800000000, 0.0000000000000000, -0.0018262100000000 ] - [ 0.0023317800000000, 0.0000404000000000, -0.0017618200000000 ] - [ 0.0063169200000000, 0.0000000000000000, -0.0009475300000000 ] - [ 0.0055712500000000, -0.0015766600000000, -0.0002403800000000 ] - [ 0.0055712500000000, 0.0015766600000000, -0.0002403800000000 ] - [ -0.0187274300000000, 0.0000000000000000, 0.0370349900000000 ] - [ -0.0043567700000000, -0.0004498600000000, -0.0059027500000000 ] - [ -0.0043567700000000, 0.0004498600000000, -0.0059027500000000 ] - [ -0.0023966300000000, 0.0000000000000000, 0.0017071600000000 ] - [ -0.0022605100000000, 0.0000500300000000, 0.0017137100000000 ] - [ -0.0022605100000000, -0.0000500300000000, 0.0017137100000000 ] - [ -0.0081813200000000, 0.0000000000000000, 0.0057650400000000 ] - [ -0.0081839300000000, -0.0000007800000000, 0.0059147900000000 ] - [ -0.0081839300000000, 0.0000007800000000, 0.0059147900000000 ] - [ 0.0086523400000000, 0.0000000000000000, -0.0056485000000000 ] - [ 0.0090812400000000, -0.0017040100000000, -0.0051088100000000 ] - [ 0.0090812400000000, 0.0017040100000000, -0.0051088100000000 ] - [ 0.0042152100000000, 0.0000000000000000, 0.0066831200000000 ] - [ 0.0042387700000000, 0.0001607800000000, 0.0067785900000000 ] - [ 0.0042387700000000, -0.0001607800000000, 0.0067785900000000 ] - [ -0.0055774000000000, 0.0000000000000000, 0.0007707600000000 ] - [ -0.0062570200000000, 0.0001471400000000, 0.0006240100000000 ] - [ -0.0062570200000000, -0.0001471400000000, 0.0006240100000000 ] - [ 0.0034872800000000, 0.0000000000000000, -0.0034907500000000 ] - [ 0.0027145100000000, 0.0013277300000000, -0.0037057500000000 ] - [ 0.0027145100000000, -0.0013277300000000, -0.0037057500000000 ] - [ -0.0003230000000000, 0.0000000000000000, -0.0028110300000000 ] - [ -0.0004165500000000, 0.0003346600000000, -0.0020791700000000 ] - [ -0.0004165500000000, -0.0003346600000000, -0.0020791700000000 ] - [ -0.0003161900000000, 0.0000000000000000, 0.0022018200000000 ] - [ -0.0003363600000000, 0.0000929800000000, 0.0022383400000000 ] - [ -0.0003363600000000, -0.0000929800000000, 0.0022383400000000 ] - [ 0.0003251000000000, -0.0000233200000000, -0.0021209700000000 ] - [ 0.0002184200000000, 0.0000000000000000, -0.0020222900000000 ] - [ 0.0003251000000000, 0.0000233200000000, -0.0021209700000000 ] - [ 0.0007618200000000, -0.0003826300000000, 0.0010983800000000 ] - [ 0.0002907600000000, 0.0000000000000000, 0.0019934100000000 ] - [ 0.0007618200000000, 0.0003826300000000, 0.0010983800000000 ]- atom: 13 displacement: [ 0.0048805429774377, 0.0000000000000000, -0.0087281326894922 ] forces: - [ -0.0046027000000000, -0.0005077800000000, -0.0041821300000000 ] - [ -0.0039126000000000, 0.0000000000000000, -0.0016273700000000 ] - [ -0.0046027000000000, 0.0005077800000000, -0.0041821300000000 ] - [ 0.0033733900000000, 0.0001103400000000, 0.0017931800000000 ] - [ 0.0036095200000000, 0.0000000000000000, 0.0020333400000000 ] - [ 0.0033733900000000, -0.0001103400000000, 0.0017931800000000 ] - [ -0.0034529200000000, 0.0000000000000000, -0.0020964100000000 ] - [ -0.0033349200000000, 0.0000048400000000, -0.0020282600000000 ] - [ -0.0033349200000000, -0.0000048400000000, -0.0020282600000000 ] - [ 0.0070891100000000, 0.0000000000000000, -0.0017019300000000 ] - [ 0.0067511000000000, 0.0029747100000000, 0.0005031600000000 ] - [ 0.0067511000000000, -0.0029747100000000, 0.0005031600000000 ] - [ -0.0231004300000000, 0.0000000000000000, 0.0521709700000000 ] - [ 0.0004134800000000, 0.0001735500000000, 0.0014478700000000 ] - [ 0.0004134800000000, -0.0001735500000000, 0.0014478700000000 ] - [ -0.0023679600000000, 0.0000000000000000, 0.0000722300000000 ] - [ -0.0024364100000000, 0.0000222200000000, 0.0001323700000000 ] - [ -0.0024364100000000, -0.0000222200000000, 0.0001323700000000 ] - [ -0.0065482700000000, 0.0000000000000000, 0.0023226300000000 ] - [ -0.0068502500000000, -0.0008880400000000, 0.0013866300000000 ] - [ -0.0068502500000000, 0.0008880400000000, 0.0013866300000000 ] - [ 0.0070613600000000, 0.0000000000000000, -0.0017948400000000 ] - [ 0.0071924200000000, -0.0000050200000000, -0.0013772500000000 ] - [ 0.0071924200000000, 0.0000050200000000, -0.0013772500000000 ] - [ 0.0025172400000000, 0.0000587500000000, 0.0000117400000000 ] - [ 0.0027000100000000, 0.0000000000000000, 0.0000437600000000 ] - [ 0.0025172400000000, -0.0000587500000000, 0.0000117400000000 ] - [ 0.0044374600000000, -0.0060454700000000, -0.0004455500000000 ] - [ -0.0022000400000000, 0.0000000000000000, -0.0017948700000000 ] - [ 0.0044374600000000, 0.0060454700000000, -0.0004455500000000 ] - [ -0.0066663200000000, 0.0006634900000000, 0.0013024600000000 ] - [ -0.0069029200000000, 0.0000000000000000, 0.0011287800000000 ] - [ -0.0066663200000000, -0.0006634900000000, 0.0013024600000000 ] - [ 0.0011898500000000, -0.0064165300000000, -0.0020205100000000 ] - [ 0.0079248400000000, 0.0000000000000000, -0.0014570900000000 ] - [ 0.0011898500000000, 0.0064165300000000, -0.0020205100000000 ] - [ 0.0069108600000000, 0.0000060900000000, -0.0006090900000000 ] - [ 0.0070819000000000, 0.0000000000000000, -0.0006444500000000 ] - [ 0.0069108600000000, -0.0000060900000000, -0.0006090900000000 ] - [ -0.0039982800000000, -0.0000128100000000, -0.0064553100000000 ] - [ -0.0040948300000000, 0.0000000000000000, -0.0065029000000000 ] - [ -0.0039982800000000, 0.0000128100000000, -0.0064553100000000 ] - [ -0.0037156400000000, -0.0011440800000000, 0.0028707400000000 ] - [ -0.0026934600000000, 0.0000000000000000, 0.0017089800000000 ] - [ -0.0037156400000000, 0.0011440800000000, 0.0028707400000000 ] - [ -0.0057568900000000, 0.0005143300000000, 0.0032309600000000 ] - [ -0.0078665700000000, 0.0000000000000000, 0.0062028300000000 ] - [ -0.0057568900000000, -0.0005143300000000, 0.0032309600000000 ] - [ 0.0080108800000000, -0.0000433000000000, -0.0059522500000000 ] - [ 0.0079382500000000, 0.0000000000000000, -0.0061962800000000 ] - [ 0.0080108800000000, 0.0000433000000000, -0.0059522500000000 ] - [ 0.0064186300000000, -0.0019375800000000, 0.0063173500000000 ] - [ 0.0043651900000000, 0.0000000000000000, 0.0072750700000000 ] - [ 0.0064186300000000, 0.0019375800000000, 0.0063173500000000 ] - [ -0.0070046700000000, 0.0001167700000000, 0.0004482500000000 ] - [ -0.0077548500000000, 0.0000000000000000, 0.0003971000000000 ] - [ -0.0070046700000000, -0.0001167700000000, 0.0004482500000000 ] - [ 0.0025605800000000, 0.0000403300000000, -0.0016366300000000 ] - [ 0.0024852400000000, 0.0000000000000000, -0.0015738100000000 ] - [ 0.0025605800000000, -0.0000403300000000, -0.0016366300000000 ] - [ 0.0073714100000000, 0.0000000000000000, -0.0002033600000000 ] - [ 0.0081121000000000, 0.0015629900000000, -0.0009125500000000 ] - [ 0.0081121000000000, -0.0015629900000000, -0.0009125500000000 ] - [ 0.0101366200000000, 0.0000000000000000, -0.0479624400000000 ] - [ -0.0035834800000000, 0.0004497900000000, -0.0071191600000000 ] - [ -0.0035834800000000, -0.0004497900000000, -0.0071191600000000 ] - [ -0.0024948700000000, 0.0000000000000000, 0.0016892200000000 ] - [ -0.0026315900000000, -0.0000497800000000, 0.0016822700000000 ] - [ -0.0026315900000000, 0.0000497800000000, 0.0016822700000000 ] - [ -0.0080937300000000, 0.0000000000000000, 0.0060578300000000 ] - [ -0.0080911100000000, 0.0000014200000000, 0.0059074000000000 ] - [ -0.0080911100000000, -0.0000014200000000, 0.0059074000000000 ] - [ 0.0076250500000000, 0.0000000000000000, -0.0061662300000000 ] - [ 0.0071930200000000, 0.0016969000000000, -0.0067020000000000 ] - [ 0.0071930200000000, -0.0016969000000000, -0.0067020000000000 ] - [ 0.0037213000000000, 0.0000000000000000, 0.0063375200000000 ] - [ 0.0036969100000000, -0.0001623300000000, 0.0062410500000000 ] - [ 0.0036969100000000, 0.0001623300000000, 0.0062410500000000 ] - [ -0.0081353000000000, 0.0000000000000000, 0.0003827000000000 ] - [ -0.0074412100000000, -0.0001504100000000, 0.0005320300000000 ] - [ -0.0074412100000000, 0.0001504100000000, 0.0005320300000000 ] - [ 0.0013847900000000, 0.0000000000000000, 0.0001136500000000 ] - [ 0.0021751200000000, -0.0013412200000000, 0.0003218800000000 ] - [ 0.0021751200000000, 0.0013412200000000, 0.0003218800000000 ] - [ 0.0007198900000000, 0.0000000000000000, -0.0012909800000000 ] - [ 0.0008155100000000, -0.0003398100000000, -0.0020270200000000 ] - [ 0.0008155100000000, 0.0003398100000000, -0.0020270200000000 ] - [ -0.0000749200000000, 0.0000000000000000, 0.0019064800000000 ] - [ -0.0000552400000000, -0.0000930000000000, 0.0018688700000000 ] - [ -0.0000552400000000, 0.0000930000000000, 0.0018688700000000 ] - [ 0.0000645400000000, 0.0000234400000000, -0.0019862800000000 ] - [ 0.0001707900000000, 0.0000000000000000, -0.0020847300000000 ] - [ 0.0000645400000000, -0.0000234400000000, -0.0019862800000000 ] - [ -0.0011659600000000, 0.0003903600000000, 0.0030247500000000 ] - [ -0.0006884500000000, 0.0000000000000000, 0.0021166500000000 ] - [ -0.0011659600000000, -0.0003903600000000, 0.0030247500000000 ]- atom: 19 displacement: [ 0.0099998524231531, 0.0000000000000000, 0.0000543278488306 ] forces: - [ -0.0019507000000000, 0.0025504900000000, -0.0027674000000000 ] - [ -0.0037413100000000, 0.0000000000000000, -0.0019527100000000 ] - [ -0.0019507000000000, -0.0025504900000000, -0.0027674000000000 ] - [ 0.0078982900000000, -0.0014618600000000, 0.0057856600000000 ] - [ 0.0035689300000000, 0.0000000000000000, 0.0016973900000000 ] - [ 0.0078982900000000, 0.0014618600000000, 0.0057856600000000 ] - [ -0.0022840900000000, 0.0000000000000000, -0.0005710200000000 ] - [ -0.0022741200000000, -0.0000349100000000, -0.0005676700000000 ] - [ -0.0022741200000000, 0.0000349100000000, -0.0005676700000000 ] - [ 0.0039756200000000, 0.0000000000000000, 0.0018667800000000 ] - [ 0.0038113900000000, 0.0001354800000000, 0.0015209900000000 ] - [ 0.0038113900000000, -0.0001354800000000, 0.0015209900000000 ] - [ 0.0076323100000000, 0.0000000000000000, 0.0019882800000000 ] - [ 0.0058859400000000, 0.0047457300000000, 0.0013735600000000 ] - [ 0.0058859400000000, -0.0047457300000000, 0.0013735600000000 ] - [ -0.0019916300000000, 0.0000000000000000, 0.0005759200000000 ] - [ -0.0020524100000000, -0.0000835200000000, 0.0003870600000000 ] - [ -0.0020524100000000, 0.0000835200000000, 0.0003870600000000 ] - [ -0.0585223200000000, 0.0000000000000000, 0.0135076400000000 ] - [ -0.0193228400000000, -0.0022191700000000, -0.0007665500000000 ] - [ -0.0193228400000000, 0.0022191700000000, -0.0007665500000000 ] - [ 0.0047755300000000, 0.0000000000000000, -0.0026537600000000 ] - [ 0.0062245600000000, 0.0003663400000000, -0.0017398900000000 ] - [ 0.0062245600000000, -0.0003663400000000, -0.0017398900000000 ] - [ 0.0032426000000000, -0.0002448100000000, -0.0003258500000000 ] - [ 0.0028793000000000, 0.0000000000000000, -0.0002558200000000 ] - [ 0.0032426000000000, 0.0002448100000000, -0.0003258500000000 ] - [ -0.0061097400000000, -0.0009082900000000, 0.0050396900000000 ] - [ -0.0030871700000000, 0.0000000000000000, -0.0010246700000000 ] - [ -0.0061097400000000, 0.0009082900000000, 0.0050396900000000 ] - [ -0.0067821900000000, -0.0000660800000000, 0.0016707800000000 ] - [ -0.0067258200000000, 0.0000000000000000, 0.0015708600000000 ] - [ -0.0067821900000000, 0.0000660800000000, 0.0016707800000000 ] - [ 0.0077794600000000, -0.0000185300000000, -0.0004590900000000 ] - [ 0.0076607200000000, 0.0000000000000000, 0.0006107400000000 ] - [ 0.0077794600000000, 0.0000185300000000, -0.0004590900000000 ] - [ 0.0076636900000000, -0.0005789900000000, 0.0001415900000000 ] - [ 0.0072673800000000, 0.0000000000000000, -0.0002990000000000 ] - [ 0.0076636900000000, 0.0005789900000000, 0.0001415900000000 ] - [ -0.0040397000000000, -0.0000538400000000, -0.0062644900000000 ] - [ -0.0042319100000000, 0.0000000000000000, -0.0060758800000000 ] - [ -0.0040397000000000, 0.0000538400000000, -0.0062644900000000 ] - [ -0.0031863500000000, -0.0003328500000000, 0.0017422500000000 ] - [ -0.0028238700000000, 0.0000000000000000, 0.0016312900000000 ] - [ -0.0031863500000000, 0.0003328500000000, 0.0017422500000000 ] - [ -0.0087234100000000, -0.0005250900000000, 0.0052383600000000 ] - [ -0.0094306200000000, 0.0000000000000000, 0.0034622400000000 ] - [ -0.0087234100000000, 0.0005250900000000, 0.0052383600000000 ] - [ 0.0080159900000000, -0.0000186700000000, -0.0061693400000000 ] - [ 0.0079653300000000, 0.0000000000000000, -0.0061496700000000 ] - [ 0.0080159900000000, 0.0000186700000000, -0.0061693400000000 ] - [ 0.0065539000000000, 0.0000296800000000, 0.0050700200000000 ] - [ 0.0073625900000000, 0.0000000000000000, 0.0087465300000000 ] - [ 0.0065539000000000, -0.0000296800000000, 0.0050700200000000 ] - [ 0.0146991400000000, -0.0112642500000000, -0.0039512500000000 ] - [ -0.0041297400000000, 0.0000000000000000, 0.0007284000000000 ] - [ 0.0146991400000000, 0.0112642500000000, -0.0039512500000000 ] - [ 0.0017755600000000, 0.0003340500000000, -0.0019651500000000 ] - [ 0.0019781900000000, 0.0000000000000000, -0.0022058200000000 ] - [ 0.0017755600000000, -0.0003340500000000, -0.0019651500000000 ] - [ 0.0064459500000000, 0.0000000000000000, -0.0009023400000000 ] - [ 0.0062585400000000, 0.0002841100000000, -0.0014109400000000 ] - [ 0.0062585400000000, -0.0002841100000000, -0.0014109400000000 ] - [ -0.0039056700000000, 0.0000000000000000, -0.0068745700000000 ] - [ -0.0034371600000000, -0.0005414000000000, -0.0070241400000000 ] - [ -0.0034371600000000, 0.0005414000000000, -0.0070241400000000 ] - [ -0.0038313400000000, 0.0000000000000000, 0.0012994100000000 ] - [ -0.0035102500000000, 0.0008426000000000, 0.0012112600000000 ] - [ -0.0035102500000000, -0.0008426000000000, 0.0012112600000000 ] - [ -0.0079069400000000, 0.0000000000000000, 0.0059177200000000 ] - [ -0.0079007200000000, -0.0001228000000000, 0.0059776800000000 ] - [ -0.0079007200000000, 0.0001228000000000, 0.0059776800000000 ] - [ 0.0148485700000000, 0.0000000000000000, -0.0194724100000000 ] - [ 0.0092467800000000, -0.0002140000000000, -0.0058200500000000 ] - [ 0.0092467800000000, 0.0002140000000000, -0.0058200500000000 ] - [ 0.0036026400000000, 0.0000000000000000, 0.0062564600000000 ] - [ 0.0035411200000000, 0.0000639000000000, 0.0062660200000000 ] - [ 0.0035411200000000, -0.0000639000000000, 0.0062660200000000 ] - [ -0.0072685700000000, 0.0000000000000000, 0.0003563100000000 ] - [ -0.0073072400000000, -0.0000638900000000, 0.0003084700000000 ] - [ -0.0073072400000000, 0.0000638900000000, 0.0003084700000000 ] - [ 0.0027132600000000, 0.0000000000000000, -0.0015164000000000 ] - [ 0.0028242700000000, -0.0005621100000000, -0.0015203500000000 ] - [ 0.0028242700000000, 0.0005621100000000, -0.0015203500000000 ] - [ -0.0008817300000000, 0.0000000000000000, -0.0005135200000000 ] - [ 0.0006071100000000, -0.0003434700000000, -0.0019209800000000 ] - [ 0.0006071100000000, 0.0003434700000000, -0.0019209800000000 ] - [ 0.0006727300000000, 0.0000000000000000, 0.0011726500000000 ] - [ 0.0002478300000000, 0.0011243000000000, 0.0013630700000000 ] - [ 0.0002478300000000, -0.0011243000000000, 0.0013630700000000 ] - [ -0.0002818400000000, 0.0001889600000000, -0.0024097700000000 ] - [ -0.0004494000000000, 0.0000000000000000, -0.0025547700000000 ] - [ -0.0002818400000000, -0.0001889600000000, -0.0024097700000000 ] - [ -0.0003511700000000, -0.0000105300000000, 0.0018850500000000 ] - [ -0.0002295600000000, 0.0000000000000000, 0.0018365100000000 ] - [ -0.0003511700000000, 0.0000105300000000, 0.0018850500000000 ]- atom: 19 displacement: [ -0.0099998524231531, 0.0000000000000000, -0.0000543278488306 ] forces: - [ -0.0045103300000000, -0.0025327700000000, -0.0005254800000000 ] - [ -0.0027394600000000, 0.0000000000000000, -0.0013315800000000 ] - [ -0.0045103300000000, 0.0025327700000000, -0.0005254800000000 ] - [ -0.0014242400000000, 0.0014742100000000, -0.0024968600000000 ] - [ 0.0029019700000000, 0.0000000000000000, 0.0015834600000000 ] - [ -0.0014242400000000, -0.0014742100000000, -0.0024968600000000 ] - [ -0.0041909000000000, 0.0000000000000000, -0.0027092300000000 ] - [ -0.0041984700000000, 0.0000367100000000, -0.0027040500000000 ] - [ -0.0041984700000000, -0.0000367100000000, -0.0027040500000000 ] - [ 0.0025055500000000, 0.0000000000000000, 0.0014116100000000 ] - [ 0.0026720800000000, -0.0001347000000000, 0.0017614500000000 ] - [ 0.0026720800000000, 0.0001347000000000, 0.0017614500000000 ] - [ -0.0028491700000000, 0.0000000000000000, -0.0017235800000000 ] - [ -0.0011575200000000, -0.0047460400000000, -0.0011371100000000 ] - [ -0.0011575200000000, 0.0047460400000000, -0.0011371100000000 ] - [ -0.0027176300000000, 0.0000000000000000, -0.0008056100000000 ] - [ -0.0026561100000000, 0.0000864200000000, -0.0006198800000000 ] - [ -0.0026561100000000, -0.0000864200000000, -0.0006198800000000 ] - [ 0.0442486900000000, 0.0000000000000000, -0.0111834800000000 ] - [ 0.0043322700000000, 0.0022087500000000, 0.0033096500000000 ] - [ 0.0043322700000000, -0.0022087500000000, 0.0033096500000000 ] - [ 0.0101820500000000, 0.0000000000000000, 0.0000901000000000 ] - [ 0.0087393200000000, -0.0003624700000000, -0.0008186800000000 ] - [ 0.0087393200000000, 0.0003624700000000, -0.0008186800000000 ] - [ 0.0014774600000000, 0.0002508800000000, 0.0005572700000000 ] - [ 0.0018370000000000, 0.0000000000000000, 0.0004927400000000 ] - [ 0.0014774600000000, -0.0002508800000000, 0.0005572700000000 ] - [ 0.0013511900000000, 0.0008819300000000, -0.0052461000000000 ] - [ -0.0016239500000000, 0.0000000000000000, 0.0007997600000000 ] - [ 0.0013511900000000, -0.0008819300000000, -0.0052461000000000 ] - [ -0.0081846600000000, 0.0000663400000000, 0.0008836400000000 ] - [ -0.0082407500000000, 0.0000000000000000, 0.0009830100000000 ] - [ -0.0081846600000000, -0.0000663400000000, 0.0008836400000000 ] - [ 0.0071966700000000, 0.0000210900000000, -0.0020845600000000 ] - [ 0.0073091400000000, 0.0000000000000000, -0.0031580400000000 ] - [ 0.0071966700000000, -0.0000210900000000, -0.0020845600000000 ] - [ 0.0060304700000000, 0.0005770200000000, -0.0012887400000000 ] - [ 0.0064287100000000, 0.0000000000000000, -0.0008482900000000 ] - [ 0.0060304700000000, -0.0005770200000000, -0.0012887400000000 ] - [ -0.0038971100000000, 0.0000515000000000, -0.0067557200000000 ] - [ -0.0037124000000000, 0.0000000000000000, -0.0069439400000000 ] - [ -0.0038971100000000, -0.0000515000000000, -0.0067557200000000 ] - [ -0.0017128200000000, 0.0003337800000000, 0.0016571300000000 ] - [ -0.0020698500000000, 0.0000000000000000, 0.0017644900000000 ] - [ -0.0017128200000000, -0.0003337800000000, 0.0016571300000000 ] - [ -0.0075574300000000, 0.0005163200000000, 0.0065735800000000 ] - [ -0.0068472900000000, 0.0000000000000000, 0.0083579300000000 ] - [ -0.0075574300000000, -0.0005163200000000, 0.0065735800000000 ] - [ 0.0082576500000000, 0.0000182800000000, -0.0056535600000000 ] - [ 0.0083084600000000, 0.0000000000000000, -0.0056726600000000 ] - [ 0.0082576500000000, -0.0000182800000000, -0.0056535600000000 ] - [ 0.0015488900000000, 0.0001134800000000, 0.0079980400000000 ] - [ 0.0005661700000000, 0.0000000000000000, 0.0042645600000000 ] - [ 0.0015488900000000, -0.0001134800000000, 0.0079980400000000 ] - [ -0.0289194400000000, 0.0118548900000000, 0.0051654900000000 ] - [ -0.0095454600000000, 0.0000000000000000, 0.0004246500000000 ] - [ -0.0289194400000000, -0.0118548900000000, 0.0051654900000000 ] - [ 0.0031096800000000, -0.0003332300000000, -0.0014365900000000 ] - [ 0.0029126900000000, 0.0000000000000000, -0.0011988300000000 ] - [ 0.0031096800000000, 0.0003332300000000, -0.0014365900000000 ] - [ 0.0072430300000000, 0.0000000000000000, -0.0002519900000000 ] - [ 0.0074302000000000, -0.0002871200000000, 0.0002549500000000 ] - [ 0.0074302000000000, 0.0002871200000000, 0.0002549500000000 ] - [ -0.0040346000000000, 0.0000000000000000, -0.0061527700000000 ] - [ -0.0044969100000000, 0.0005454200000000, -0.0059987100000000 ] - [ -0.0044969100000000, -0.0005454200000000, -0.0059987100000000 ] - [ -0.0010601100000000, 0.0000000000000000, 0.0021038600000000 ] - [ -0.0013887900000000, -0.0008382500000000, 0.0021776300000000 ] - [ -0.0013887900000000, 0.0008382500000000, 0.0021776300000000 ] - [ -0.0083696800000000, 0.0000000000000000, 0.0059073700000000 ] - [ -0.0083760600000000, 0.0001220500000000, 0.0058499000000000 ] - [ -0.0083760600000000, -0.0001220500000000, 0.0058499000000000 ] - [ 0.0015034400000000, 0.0000000000000000, 0.0076805200000000 ] - [ 0.0070314400000000, 0.0002074200000000, -0.0060072300000000 ] - [ 0.0070314400000000, -0.0002074200000000, -0.0060072300000000 ] - [ 0.0043319700000000, 0.0000000000000000, 0.0067634800000000 ] - [ 0.0043923400000000, -0.0000662500000000, 0.0067536800000000 ] - [ 0.0043923400000000, 0.0000662500000000, 0.0067536800000000 ] - [ -0.0064265000000000, 0.0000000000000000, 0.0007935900000000 ] - [ -0.0063884400000000, 0.0000636400000000, 0.0008419800000000 ] - [ -0.0063884400000000, -0.0000636400000000, 0.0008419800000000 ] - [ 0.0021899900000000, 0.0000000000000000, -0.0018790200000000 ] - [ 0.0020697500000000, 0.0005565900000000, -0.0018810700000000 ] - [ 0.0020697500000000, -0.0005565900000000, -0.0018810700000000 ] - [ 0.0012900100000000, 0.0000000000000000, -0.0036059500000000 ] - [ -0.0002151000000000, 0.0003414500000000, -0.0021824400000000 ] - [ -0.0002151000000000, -0.0003414500000000, -0.0021824400000000 ] - [ -0.0011006200000000, 0.0000000000000000, 0.0028916800000000 ] - [ -0.0006390300000000, -0.0011239200000000, 0.0027509500000000 ] - [ -0.0006390300000000, 0.0011239200000000, 0.0027509500000000 ] - [ 0.0006713000000000, -0.0001911600000000, -0.0017009000000000 ] - [ 0.0008351700000000, 0.0000000000000000, -0.0015573300000000 ] - [ 0.0006713000000000, 0.0001911600000000, -0.0017009000000000 ] - [ -0.0000393800000000, 0.0000126700000000, 0.0022216400000000 ] - [ -0.0001633800000000, 0.0000000000000000, 0.0022709200000000 ] - [ -0.0000393800000000, -0.0000126700000000, 0.0022216400000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0031672100000000, -0.0007621900000000, -0.0017428100000000 ] - [ -0.0032397000000000, 0.0011515100000000, -0.0016413600000000 ] - [ -0.0033221200000000, -0.0007475200000000, -0.0015361500000000 ] - [ -0.0005149500000000, -0.0012485100000000, -0.0043567400000000 ] - [ 0.0032360300000000, 0.0019205000000000, 0.0016408300000000 ] - [ 0.0069938300000000, -0.0012421600000000, 0.0076180900000000 ] - [ -0.0032373300000000, 0.0001003400000000, -0.0016431700000000 ] - [ -0.0036172300000000, -0.0002043600000000, -0.0027193900000000 ] - [ -0.0028566800000000, -0.0002036800000000, -0.0005601500000000 ] - [ 0.0032399900000000, -0.0002442300000000, 0.0016417500000000 ] - [ 0.0033756600000000, 0.0001533100000000, 0.0019196300000000 ] - [ 0.0031053200000000, 0.0001536500000000, 0.0013637600000000 ] - [ 0.0023671800000000, -0.0062816500000000, 0.0001210300000000 ] - [ 0.0068723800000000, 0.0058650700000000, 0.0016389600000000 ] - [ -0.0021698500000000, 0.0058646600000000, -0.0014053000000000 ] - [ -0.0023545300000000, 0.0000598300000000, -0.0001151800000000 ] - [ -0.0023363000000000, 0.0000267000000000, -0.0001021300000000 ] - [ -0.0023728200000000, 0.0000258300000000, -0.0001320100000000 ] - [ -0.0070428400000000, -0.0579233400000000, 0.0011845500000000 ] - [ -0.0052973400000000, 0.0123911900000000, 0.0022666500000000 ] - [ -0.0097147100000000, 0.0122818700000000, 0.0002829400000000 ] - [ 0.0074843700000000, 0.0001550700000000, -0.0012681900000000 ] - [ 0.0078494300000000, -0.0001740600000000, -0.0013500100000000 ] - [ 0.0071198400000000, -0.0001745800000000, -0.0012083400000000 ] - [ 0.0015577800000000, -0.0004582300000000, 0.0004264400000000 ] - [ 0.0023570400000000, 0.0009887300000000, 0.0001189300000000 ] - [ 0.0031552600000000, -0.0004620300000000, -0.0001898800000000 ] - [ -0.0044036100000000, -0.0009643300000000, 0.0061173100000000 ] - [ -0.0023524600000000, 0.0019521100000000, -0.0001141000000000 ] - [ -0.0003173400000000, -0.0009580200000000, -0.0063134100000000 ] - [ -0.0074185000000000, 0.0001007200000000, 0.0012798800000000 ] - [ -0.0074850000000000, -0.0001620900000000, 0.0012768100000000 ] - [ -0.0075509600000000, 0.0001006400000000, 0.0012742600000000 ] - [ 0.0074694800000000, 0.0002119400000000, -0.0014901200000000 ] - [ 0.0074837300000000, -0.0001358500000000, -0.0012759300000000 ] - [ 0.0075064100000000, 0.0002088400000000, -0.0010560100000000 ] - [ 0.0065493300000000, 0.0003707000000000, -0.0005384700000000 ] - [ 0.0068469400000000, -0.0002996500000000, -0.0005740100000000 ] - [ 0.0071449500000000, 0.0003694200000000, -0.0006147500000000 ] - [ -0.0041094400000000, 0.0000527000000000, -0.0065449300000000 ] - [ -0.0039711300000000, -0.0001768200000000, -0.0065099200000000 ] - [ -0.0038282300000000, 0.0000536300000000, -0.0064778100000000 ] - [ -0.0025406700000000, 0.0003046200000000, 0.0018665600000000 ] - [ -0.0024459500000000, -0.0007133300000000, 0.0016970000000000 ] - [ -0.0023518700000000, 0.0003027700000000, 0.0015308500000000 ] - [ -0.0079549600000000, 0.0006675000000000, 0.0065164000000000 ] - [ -0.0081343700000000, -0.0039082700000000, 0.0059135500000000 ] - [ -0.0083200300000000, 0.0006763800000000, 0.0053022800000000 ] - [ 0.0080967100000000, -0.0000962900000000, -0.0058537500000000 ] - [ 0.0081379700000000, 0.0000786900000000, -0.0059113300000000 ] - [ 0.0081792900000000, -0.0000962200000000, -0.0059699600000000 ] - [ 0.0045028100000000, 0.0024522300000000, 0.0049924900000000 ] - [ 0.0039639800000000, -0.0035165600000000, 0.0065062500000000 ] - [ 0.0036080300000000, 0.0022843800000000, 0.0081016400000000 ] - [ -0.0229800500000000, 0.0162258600000000, 0.0066454000000000 ] - [ -0.0068339300000000, -0.0028661000000000, 0.0005741100000000 ] - [ 0.0086801900000000, 0.0156612300000000, -0.0054071600000000 ] - [ 0.0024932200000000, 0.0002163800000000, -0.0019799100000000 ] - [ 0.0024459400000000, -0.0004835700000000, -0.0016995400000000 ] - [ 0.0023920100000000, 0.0002152300000000, -0.0014194400000000 ] - [ 0.0068436600000000, -0.0003747200000000, -0.0005754400000000 ] - [ 0.0070614600000000, -0.0000685900000000, -0.0000264100000000 ] - [ 0.0066277200000000, -0.0000651900000000, -0.0011258200000000 ] - [ -0.0039712300000000, 0.0006234700000000, -0.0065137500000000 ] - [ -0.0037666400000000, -0.0008779100000000, -0.0067678500000000 ] - [ -0.0041670700000000, -0.0008827200000000, -0.0062523000000000 ] - [ -0.0024401700000000, 0.0016769000000000, 0.0017046800000000 ] - [ -0.0009469600000000, -0.0012444900000000, 0.0024623100000000 ] - [ -0.0039451900000000, -0.0012450000000000, 0.0009322300000000 ] - [ -0.0081351400000000, -0.0000597200000000, 0.0059064000000000 ] - [ -0.0082072600000000, -0.0000356200000000, 0.0060407700000000 ] - [ -0.0080688400000000, -0.0000360900000000, 0.0057847300000000 ] - [ 0.0081606300000000, 0.0038405600000000, -0.0059844400000000 ] - [ 0.0079872300000000, -0.0007773600000000, -0.0064502600000000 ] - [ 0.0082879700000000, -0.0007717700000000, -0.0053747200000000 ] - [ 0.0039679900000000, 0.0000142000000000, 0.0065103500000000 ] - [ 0.0037614200000000, -0.0000526700000000, 0.0064275100000000 ] - [ 0.0041739200000000, -0.0000511700000000, 0.0065929700000000 ] - [ -0.0068460400000000, -0.0000180100000000, 0.0005746000000000 ] - [ -0.0067839900000000, -0.0000267700000000, 0.0005943500000000 ] - [ -0.0069085900000000, -0.0000271100000000, 0.0005548400000000 ] - [ 0.0024497000000000, 0.0011355000000000, -0.0017054300000000 ] - [ 0.0024634400000000, -0.0004497800000000, -0.0022391800000000 ] - [ 0.0024295200000000, -0.0004469500000000, -0.0011616300000000 ] - [ 0.0002067100000000, 0.0009507300000000, -0.0020615800000000 ] - [ -0.0003100100000000, -0.0001633400000000, -0.0017075700000000 ] - [ 0.0007012900000000, -0.0001632500000000, -0.0023981100000000 ] - [ -0.0002058100000000, 0.0031144900000000, 0.0020506700000000 ] - [ -0.0003840800000000, -0.0012289000000000, 0.0029408200000000 ] - [ -0.0000070300000000, -0.0012269200000000, 0.0011724600000000 ] - [ 0.0001283300000000, 0.0001456600000000, -0.0020411400000000 ] - [ 0.0001945400000000, -0.0004625700000000, -0.0020549100000000 ] - [ 0.0002624700000000, 0.0001478800000000, -0.0020683600000000 ] - [ -0.0003050600000000, 0.0000333600000000, 0.0020496900000000 ] - [ -0.0001964000000000, -0.0000989500000000, 0.0020544300000000 ] - [ -0.0000855100000000, 0.0000322200000000, 0.0020580800000000 ]- atom: 19 displacement: [ -0.0048805429774377, 0.0000000000000000, 0.0087281326894922 ] forces: - [ -0.0062939300000000, -0.0031449500000000, -0.0000850900000000 ] - [ -0.0037621700000000, 0.0000000000000000, -0.0013583700000000 ] - [ -0.0062939300000000, 0.0031449500000000, -0.0000850900000000 ] - [ 0.0044629400000000, -0.0032227800000000, -0.0019141900000000 ] - [ 0.0034285000000000, 0.0000000000000000, 0.0012230300000000 ] - [ 0.0044629400000000, 0.0032227800000000, -0.0019141900000000 ] - [ -0.0028258900000000, 0.0000000000000000, -0.0018217500000000 ] - [ -0.0029554100000000, -0.0005140100000000, -0.0021845500000000 ] - [ -0.0029554100000000, 0.0005140100000000, -0.0021845500000000 ] - [ 0.0030901800000000, 0.0000000000000000, 0.0019082000000000 ] - [ 0.0030284200000000, -0.0001682600000000, 0.0019070500000000 ] - [ 0.0030284200000000, 0.0001682600000000, 0.0019070500000000 ] - [ 0.0009275800000000, 0.0000000000000000, -0.0012024600000000 ] - [ 0.0011896000000000, -0.0015791200000000, -0.0003007100000000 ] - [ 0.0011896000000000, 0.0015791200000000, -0.0003007100000000 ] - [ -0.0019301400000000, 0.0000000000000000, 0.0004005900000000 ] - [ -0.0023418200000000, -0.0003090300000000, -0.0001732000000000 ] - [ -0.0023418200000000, 0.0003090300000000, -0.0001732000000000 ] - [ 0.0290234900000000, 0.0000000000000000, -0.0635586800000000 ] - [ -0.0034951200000000, 0.0001968000000000, 0.0009749200000000 ] - [ -0.0034951200000000, -0.0001968000000000, 0.0009749200000000 ] - [ 0.0075853600000000, 0.0000000000000000, 0.0020416100000000 ] - [ 0.0076952800000000, -0.0002383500000000, -0.0011713600000000 ] - [ 0.0076952800000000, 0.0002383500000000, -0.0011713600000000 ] - [ 0.0023896000000000, -0.0000024500000000, 0.0005624800000000 ] - [ 0.0025525100000000, 0.0000000000000000, 0.0007004200000000 ] - [ 0.0023896000000000, 0.0000024500000000, 0.0005624800000000 ] - [ 0.0043435100000000, 0.0070015200000000, 0.0008368500000000 ] - [ -0.0023222200000000, 0.0000000000000000, 0.0003237300000000 ] - [ 0.0043435100000000, -0.0070015200000000, 0.0008368500000000 ] - [ -0.0074852500000000, 0.0000297200000000, 0.0013387800000000 ] - [ -0.0075998400000000, 0.0000000000000000, 0.0013869100000000 ] - [ -0.0074852500000000, -0.0000297200000000, 0.0013387800000000 ] - [ 0.0080549600000000, -0.0001811900000000, -0.0013722400000000 ] - [ 0.0090510800000000, 0.0000000000000000, -0.0014809000000000 ] - [ 0.0080549600000000, 0.0001811900000000, -0.0013722400000000 ] - [ 0.0066608700000000, 0.0007306100000000, -0.0010440100000000 ] - [ 0.0068332400000000, 0.0000000000000000, -0.0007113000000000 ] - [ 0.0066608700000000, -0.0007306100000000, -0.0010440100000000 ] - [ -0.0039492600000000, 0.0000770400000000, -0.0068519500000000 ] - [ -0.0036760900000000, 0.0000000000000000, -0.0066276600000000 ] - [ -0.0039492600000000, -0.0000770400000000, -0.0068519500000000 ] - [ -0.0016785300000000, 0.0000791400000000, 0.0015316400000000 ] - [ -0.0023491900000000, 0.0000000000000000, 0.0017197600000000 ] - [ -0.0016785300000000, -0.0000791400000000, 0.0015316400000000 ] - [ -0.0080206900000000, 0.0002312800000000, 0.0062527800000000 ] - [ -0.0080870000000000, 0.0000000000000000, 0.0067796300000000 ] - [ -0.0080206900000000, -0.0002312800000000, 0.0062527800000000 ] - [ 0.0081219800000000, 0.0000812300000000, -0.0059139100000000 ] - [ 0.0081711400000000, 0.0000000000000000, -0.0059185500000000 ] - [ 0.0081219800000000, -0.0000812300000000, -0.0059139100000000 ] - [ 0.0051866600000000, 0.0021282000000000, 0.0092238900000000 ] - [ 0.0029867900000000, 0.0000000000000000, 0.0057892700000000 ] - [ 0.0051866600000000, -0.0021282000000000, 0.0092238900000000 ] - [ -0.0219823200000000, 0.0125504200000000, 0.0061591300000000 ] - [ -0.0077024300000000, 0.0000000000000000, 0.0008249500000000 ] - [ -0.0219823200000000, -0.0125504200000000, 0.0061591300000000 ] - [ 0.0016694000000000, 0.0005842300000000, -0.0018649000000000 ] - [ 0.0023180900000000, 0.0000000000000000, -0.0016122300000000 ] - [ 0.0016694000000000, -0.0005842300000000, -0.0018649000000000 ] - [ 0.0065844400000000, 0.0000000000000000, -0.0005102100000000 ] - [ 0.0062607900000000, 0.0002417000000000, -0.0003954300000000 ] - [ 0.0062607900000000, -0.0002417000000000, -0.0003954300000000 ] - [ -0.0047249600000000, 0.0000000000000000, -0.0064084300000000 ] - [ -0.0060401300000000, -0.0010725100000000, -0.0065542600000000 ] - [ -0.0060401300000000, 0.0010725100000000, -0.0065542600000000 ] - [ -0.0023506800000000, 0.0000000000000000, 0.0020082500000000 ] - [ -0.0015338900000000, -0.0004313400000000, 0.0021645700000000 ] - [ -0.0015338900000000, 0.0004313400000000, 0.0021645700000000 ] - [ -0.0085991800000000, 0.0000000000000000, 0.0052523100000000 ] - [ -0.0084334700000000, 0.0003300500000000, 0.0059504100000000 ] - [ -0.0084334700000000, -0.0003300500000000, 0.0059504100000000 ] - [ -0.0098775900000000, 0.0000000000000000, 0.0427897300000000 ] - [ 0.0077796400000000, -0.0002560900000000, -0.0057004500000000 ] - [ 0.0077796400000000, 0.0002560900000000, -0.0057004500000000 ] - [ 0.0039082500000000, 0.0000000000000000, 0.0065074900000000 ] - [ 0.0038189100000000, -0.0000568500000000, 0.0064618800000000 ] - [ 0.0038189100000000, 0.0000568500000000, 0.0064618800000000 ] - [ -0.0067682900000000, 0.0000000000000000, 0.0005752500000000 ] - [ -0.0067292600000000, 0.0001062800000000, 0.0005627000000000 ] - [ -0.0067292600000000, -0.0001062800000000, 0.0005627000000000 ] - [ 0.0027374500000000, 0.0000000000000000, -0.0026866600000000 ] - [ 0.0027019900000000, 0.0002169800000000, -0.0018354500000000 ] - [ 0.0027019900000000, -0.0002169800000000, -0.0018354500000000 ] - [ 0.0026382700000000, 0.0000000000000000, -0.0036893500000000 ] - [ 0.0002949000000000, 0.0003995100000000, -0.0021443100000000 ] - [ 0.0002949000000000, -0.0003995100000000, -0.0021443100000000 ] - [ -0.0035667800000000, 0.0000000000000000, 0.0027525200000000 ] - [ -0.0007683500000000, -0.0001776300000000, 0.0028726900000000 ] - [ -0.0007683500000000, 0.0001776300000000, 0.0028726900000000 ] - [ 0.0002536000000000, 0.0000308100000000, -0.0020165900000000 ] - [ 0.0004468100000000, 0.0000000000000000, -0.0019814600000000 ] - [ 0.0002536000000000, -0.0000308100000000, -0.0020165900000000 ] - [ -0.0002197600000000, -0.0001229700000000, 0.0019999900000000 ] - [ -0.0001124400000000, 0.0000000000000000, 0.0020300700000000 ] - [ -0.0002197600000000, 0.0001229700000000, 0.0019999900000000 ]- atom: 19 displacement: [ 0.0048805429774377, 0.0000000000000000, -0.0087281326894922 ] forces: - [ -0.0001337000000000, 0.0031882000000000, -0.0032185300000000 ] - [ -0.0027106000000000, 0.0000000000000000, -0.0019251200000000 ] - [ -0.0001337000000000, -0.0031882000000000, -0.0032185300000000 ] - [ 0.0020050800000000, 0.0032340500000000, 0.0052188700000000 ] - [ 0.0030491800000000, 0.0000000000000000, 0.0020635500000000 ] - [ 0.0020050800000000, -0.0032340500000000, 0.0052188700000000 ] - [ -0.0036545600000000, 0.0000000000000000, -0.0014589300000000 ] - [ -0.0035242400000000, 0.0005167000000000, -0.0010933500000000 ] - [ -0.0035242400000000, -0.0005167000000000, -0.0010933500000000 ] - [ 0.0033779300000000, 0.0000000000000000, 0.0013588900000000 ] - [ 0.0034490300000000, 0.0001689200000000, 0.0013739600000000 ] - [ 0.0034490300000000, -0.0001689200000000, 0.0013739600000000 ] - [ 0.0037748900000000, 0.0000000000000000, 0.0014408600000000 ] - [ 0.0034994600000000, 0.0015512900000000, 0.0005145500000000 ] - [ 0.0034994600000000, -0.0015512900000000, 0.0005145500000000 ] - [ -0.0027838800000000, 0.0000000000000000, -0.0006386600000000 ] - [ -0.0023681500000000, 0.0003136100000000, -0.0000621100000000 ] - [ -0.0023681500000000, -0.0003136100000000, -0.0000621100000000 ] - [ -0.0433812600000000, 0.0000000000000000, 0.0641771800000000 ] - [ -0.0114860100000000, -0.0002273700000000, 0.0015781300000000 ] - [ -0.0114860100000000, 0.0002273700000000, 0.0015781300000000 ] - [ 0.0073781600000000, 0.0000000000000000, -0.0046312800000000 ] - [ 0.0072734500000000, 0.0002416000000000, -0.0013812400000000 ] - [ 0.0072734500000000, -0.0002416000000000, -0.0013812400000000 ] - [ 0.0023231100000000, 0.0000087200000000, -0.0003312500000000 ] - [ 0.0021577100000000, 0.0000000000000000, -0.0004617900000000 ] - [ 0.0023231100000000, -0.0000087200000000, -0.0003312500000000 ] - [ -0.0090348100000000, -0.0069703400000000, -0.0010748300000000 ] - [ -0.0023886300000000, 0.0000000000000000, -0.0005630500000000 ] - [ -0.0090348100000000, 0.0069703400000000, -0.0010748300000000 ] - [ -0.0074873400000000, -0.0000299500000000, 0.0012112100000000 ] - [ -0.0073726400000000, 0.0000000000000000, 0.0011634100000000 ] - [ -0.0074873400000000, 0.0000299500000000, 0.0012112100000000 ] - [ 0.0069199500000000, 0.0001795400000000, -0.0011803100000000 ] - [ 0.0059311300000000, 0.0000000000000000, -0.0010788100000000 ] - [ 0.0069199500000000, -0.0001795400000000, -0.0011803100000000 ] - [ 0.0070254800000000, -0.0007313900000000, -0.0000984800000000 ] - [ 0.0068592000000000, 0.0000000000000000, -0.0004368400000000 ] - [ 0.0070254800000000, 0.0007313900000000, -0.0000984800000000 ] - [ -0.0039858000000000, -0.0000801800000000, -0.0061668400000000 ] - [ -0.0042679100000000, 0.0000000000000000, -0.0063965200000000 ] - [ -0.0039858000000000, 0.0000801800000000, -0.0061668400000000 ] - [ -0.0032276400000000, -0.0000733200000000, 0.0018723800000000 ] - [ -0.0025412600000000, 0.0000000000000000, 0.0016735900000000 ] - [ -0.0032276400000000, 0.0000733200000000, 0.0018723800000000 ] - [ -0.0082539900000000, -0.0002321800000000, 0.0055714700000000 ] - [ -0.0081815200000000, 0.0000000000000000, 0.0050635300000000 ] - [ -0.0082539900000000, 0.0002321800000000, 0.0055714700000000 ] - [ 0.0081542300000000, -0.0000820100000000, -0.0059073100000000 ] - [ 0.0081050800000000, 0.0000000000000000, -0.0059028400000000 ] - [ 0.0081542300000000, 0.0000820100000000, -0.0059073100000000 ] - [ 0.0027602700000000, -0.0021381000000000, 0.0037667300000000 ] - [ 0.0049507400000000, 0.0000000000000000, 0.0072363800000000 ] - [ 0.0027602700000000, 0.0021381000000000, 0.0037667300000000 ] - [ 0.0081715000000000, -0.0123643500000000, -0.0050838400000000 ] - [ -0.0059903400000000, 0.0000000000000000, 0.0003245900000000 ] - [ 0.0081715000000000, 0.0123643500000000, -0.0050838400000000 ] - [ 0.0032276300000000, -0.0005899400000000, -0.0015322700000000 ] - [ 0.0025749400000000, 0.0000000000000000, -0.0017855800000000 ] - [ 0.0032276300000000, 0.0005899400000000, -0.0015322700000000 ] - [ 0.0071071300000000, 0.0000000000000000, -0.0006378800000000 ] - [ 0.0074301300000000, -0.0002422700000000, -0.0007513600000000 ] - [ 0.0074301300000000, 0.0002422700000000, -0.0007513600000000 ] - [ -0.0032150900000000, 0.0000000000000000, -0.0066105200000000 ] - [ -0.0019153700000000, 0.0010592200000000, -0.0064628200000000 ] - [ -0.0019153700000000, -0.0010592200000000, -0.0064628200000000 ] - [ -0.0025385300000000, 0.0000000000000000, 0.0013857800000000 ] - [ -0.0033581700000000, 0.0004301400000000, 0.0012288400000000 ] - [ -0.0033581700000000, -0.0004301400000000, 0.0012288400000000 ] - [ -0.0076750100000000, 0.0000000000000000, 0.0065799600000000 ] - [ -0.0078401900000000, -0.0003332900000000, 0.0058735100000000 ] - [ -0.0078401900000000, 0.0003332900000000, 0.0058735100000000 ] - [ 0.0257195000000000, 0.0000000000000000, -0.0524301100000000 ] - [ 0.0084983300000000, 0.0002525100000000, -0.0061178500000000 ] - [ 0.0084983300000000, -0.0002525100000000, -0.0061178500000000 ] - [ 0.0040297300000000, 0.0000000000000000, 0.0065148900000000 ] - [ 0.0041199700000000, 0.0000548100000000, 0.0065601300000000 ] - [ 0.0041199700000000, -0.0000548100000000, 0.0065601300000000 ] - [ -0.0069234900000000, 0.0000000000000000, 0.0005755100000000 ] - [ -0.0069630200000000, -0.0001067500000000, 0.0005881300000000 ] - [ -0.0069630200000000, 0.0001067500000000, 0.0005881300000000 ] - [ 0.0021701500000000, 0.0000000000000000, -0.0006684800000000 ] - [ 0.0021894700000000, -0.0002232400000000, -0.0015629900000000 ] - [ 0.0021894700000000, 0.0002232400000000, -0.0015629900000000 ] - [ -0.0022343700000000, 0.0000000000000000, -0.0004457500000000 ] - [ 0.0000939700000000, -0.0004052800000000, -0.0019626200000000 ] - [ 0.0000939700000000, 0.0004052800000000, -0.0019626200000000 ] - [ 0.0031910300000000, 0.0000000000000000, 0.0013109400000000 ] - [ 0.0003778900000000, 0.0001727000000000, 0.0012393800000000 ] - [ 0.0003778900000000, -0.0001727000000000, 0.0012393800000000 ] - [ 0.0001366300000000, -0.0000316200000000, -0.0020928500000000 ] - [ -0.0000577300000000, 0.0000000000000000, -0.0021275500000000 ] - [ 0.0001366300000000, 0.0000316200000000, -0.0020928500000000 ] - [ -0.0001671200000000, 0.0001283900000000, 0.0021089500000000 ] - [ -0.0002798100000000, 0.0000000000000000, 0.0020798300000000 ] - [ -0.0001671200000000, -0.0001283900000000, 0.0021089500000000 ]- atom: 37 displacement: [ 0.0099998524231531, 0.0000000000000000, 0.0000543278488306 ] forces: - [ 0.0054329500000000, 0.0000000000000000, 0.0159517600000000 ] - [ -0.0024790900000000, -0.0011682900000000, -0.0016515200000000 ] - [ -0.0024790900000000, 0.0011682900000000, -0.0016515200000000 ] - [ 0.0032701200000000, 0.0000000000000000, 0.0018775000000000 ] - [ 0.0034523000000000, 0.0000855400000000, 0.0018708200000000 ] - [ 0.0034523000000000, -0.0000855400000000, 0.0018708200000000 ] - [ -0.0035717600000000, 0.0000584700000000, -0.0017177000000000 ] - [ -0.0035717600000000, -0.0000584700000000, -0.0017177000000000 ] - [ -0.0035358200000000, 0.0000000000000000, -0.0016803700000000 ] - [ 0.0026985900000000, -0.0005067500000000, -0.0002975400000000 ] - [ 0.0026985900000000, 0.0005067500000000, -0.0002975400000000 ] - [ 0.0029803500000000, 0.0000000000000000, 0.0011524700000000 ] - [ 0.0021800200000000, -0.0001199700000000, -0.0000547100000000 ] - [ 0.0021800200000000, 0.0001199700000000, -0.0000547100000000 ] - [ 0.0020334500000000, 0.0000000000000000, -0.0003318500000000 ] - [ -0.0030881900000000, 0.0007403200000000, -0.0003469700000000 ] - [ -0.0030881900000000, -0.0007403200000000, -0.0003469700000000 ] - [ -0.0054175000000000, 0.0000000000000000, -0.0007998800000000 ] - [ -0.0066673300000000, -0.0002997800000000, 0.0015254800000000 ] - [ -0.0066673300000000, 0.0002997800000000, 0.0015254800000000 ] - [ -0.0070655800000000, 0.0000000000000000, 0.0014947400000000 ] - [ 0.0290612200000000, 0.0154878900000000, -0.0062916500000000 ] - [ 0.0290612200000000, -0.0154878900000000, -0.0062916500000000 ] - [ 0.0101954100000000, 0.0000000000000000, -0.0007416900000000 ] - [ 0.0027561200000000, 0.0000000000000000, -0.0002646400000000 ] - [ 0.0028285500000000, -0.0001494000000000, -0.0010785700000000 ] - [ 0.0028285500000000, 0.0001494000000000, -0.0010785700000000 ] - [ -0.0031297100000000, 0.0000000000000000, 0.0009176700000000 ] - [ -0.0026116300000000, -0.0005745900000000, 0.0004186800000000 ] - [ -0.0026116300000000, 0.0005745900000000, 0.0004186800000000 ] - [ -0.0078841500000000, 0.0000000000000000, 0.0007551100000000 ] - [ -0.0080696800000000, -0.0002187900000000, 0.0002798100000000 ] - [ -0.0080696800000000, 0.0002187900000000, 0.0002798100000000 ] - [ 0.0070659800000000, 0.0000000000000000, -0.0014216100000000 ] - [ 0.0070268600000000, 0.0000624400000000, -0.0013989600000000 ] - [ 0.0070268600000000, -0.0000624400000000, -0.0013989600000000 ] - [ -0.0594490700000000, 0.0000000000000000, -0.0148793300000000 ] - [ 0.0034899500000000, 0.0002593300000000, -0.0005883800000000 ] - [ 0.0034899500000000, -0.0002593300000000, -0.0005883800000000 ] - [ -0.0027575200000000, 0.0000000000000000, -0.0059951300000000 ] - [ -0.0004950400000000, -0.0032551200000000, -0.0040259400000000 ] - [ -0.0004950400000000, 0.0032551200000000, -0.0040259400000000 ] - [ -0.0030351700000000, 0.0000000000000000, 0.0006747500000000 ] - [ -0.0023303300000000, 0.0003337700000000, 0.0022117400000000 ] - [ -0.0023303300000000, -0.0003337700000000, 0.0022117400000000 ] - [ -0.0080523600000000, 0.0000000000000000, 0.0059518700000000 ] - [ -0.0080598000000000, -0.0001280500000000, 0.0059936300000000 ] - [ -0.0080598000000000, 0.0001280500000000, 0.0059936300000000 ] - [ 0.0082478500000000, 0.0000000000000000, -0.0055963500000000 ] - [ 0.0086989100000000, 0.0005188400000000, -0.0051005100000000 ] - [ 0.0086989100000000, -0.0005188400000000, -0.0051005100000000 ] - [ 0.0039078900000000, 0.0000000000000000, 0.0062343300000000 ] - [ 0.0042628300000000, 0.0002102100000000, 0.0061611200000000 ] - [ 0.0042628300000000, -0.0002102100000000, 0.0061611200000000 ] - [ -0.0071788800000000, 0.0000000000000000, 0.0005116400000000 ] - [ -0.0070860400000000, 0.0000010800000000, 0.0003575700000000 ] - [ -0.0070860400000000, -0.0000010800000000, 0.0003575700000000 ] - [ 0.0026294000000000, 0.0000000000000000, -0.0015499900000000 ] - [ 0.0026503200000000, 0.0000580800000000, -0.0017189900000000 ] - [ 0.0026503200000000, -0.0000580800000000, -0.0017189900000000 ] - [ 0.0070968500000000, 0.0000114800000000, -0.0004548600000000 ] - [ 0.0070968500000000, -0.0000114800000000, -0.0004548600000000 ] - [ 0.0070175700000000, 0.0000000000000000, -0.0004291500000000 ] - [ -0.0038969300000000, 0.0000323000000000, -0.0064488000000000 ] - [ -0.0038969300000000, -0.0000323000000000, -0.0064488000000000 ] - [ -0.0036523800000000, 0.0000000000000000, -0.0063222300000000 ] - [ -0.0025359400000000, -0.0000811600000000, 0.0017177700000000 ] - [ -0.0025359400000000, 0.0000811600000000, 0.0017177700000000 ] - [ -0.0027026700000000, 0.0000000000000000, 0.0017364500000000 ] - [ -0.0073483100000000, 0.0015363200000000, 0.0076068500000000 ] - [ -0.0073483100000000, -0.0015363200000000, 0.0076068500000000 ] - [ -0.0084566300000000, 0.0000000000000000, 0.0058160000000000 ] - [ 0.0089864300000000, -0.0010590200000000, -0.0069839500000000 ] - [ 0.0089864300000000, 0.0010590200000000, -0.0069839500000000 ] - [ 0.0080499500000000, 0.0000000000000000, -0.0059962500000000 ] - [ 0.0041599900000000, -0.0001468300000000, 0.0066789400000000 ] - [ 0.0041599900000000, 0.0001468300000000, 0.0066789400000000 ] - [ 0.0048850300000000, 0.0000000000000000, 0.0070762200000000 ] - [ -0.0064300200000000, 0.0000069100000000, 0.0010185400000000 ] - [ -0.0064300200000000, -0.0000069100000000, 0.0010185400000000 ] - [ -0.0063141800000000, 0.0000000000000000, 0.0011824500000000 ] - [ 0.0067137900000000, -0.0036040600000000, 0.0003366600000000 ] - [ 0.0067137900000000, 0.0036040600000000, 0.0003366600000000 ] - [ 0.0020298400000000, 0.0000000000000000, -0.0017663400000000 ] - [ -0.0005529500000000, -0.0006843400000000, -0.0017785600000000 ] - [ -0.0005529500000000, 0.0006843400000000, -0.0017785600000000 ] - [ 0.0001471000000000, 0.0000000000000000, -0.0022573500000000 ] - [ 0.0001136700000000, -0.0001141100000000, 0.0014460700000000 ] - [ 0.0001136700000000, 0.0001141100000000, 0.0014460700000000 ] - [ -0.0002398700000000, 0.0000000000000000, 0.0018999800000000 ] - [ 0.0002639600000000, 0.0000000000000000, -0.0019694900000000 ] - [ 0.0002773100000000, -0.0000007800000000, -0.0019442700000000 ] - [ 0.0002773100000000, 0.0000007800000000, -0.0019442700000000 ] - [ 0.0000992300000000, 0.0000000000000000, 0.0022727700000000 ] - [ 0.0004550600000000, 0.0006050400000000, 0.0025061500000000 ] - [ 0.0004550600000000, -0.0006050400000000, 0.0025061500000000 ]- atom: 37 displacement: [ -0.0099998524231531, 0.0000000000000000, -0.0000543278488306 ] forces: - [ -0.0118189900000000, 0.0000000000000000, -0.0187612700000000 ] - [ -0.0039928900000000, 0.0011750600000000, -0.0016373500000000 ] - [ -0.0039928900000000, -0.0011750600000000, -0.0016373500000000 ] - [ 0.0032044900000000, 0.0000000000000000, 0.0014028700000000 ] - [ 0.0030229500000000, -0.0000845200000000, 0.0014124400000000 ] - [ 0.0030229500000000, 0.0000845200000000, 0.0014124400000000 ] - [ -0.0029038300000000, -0.0000584000000000, -0.0015641600000000 ] - [ -0.0029038300000000, 0.0000584000000000, -0.0015641600000000 ] - [ -0.0029404100000000, 0.0000000000000000, -0.0016010000000000 ] - [ 0.0037815700000000, 0.0005030800000000, 0.0035781400000000 ] - [ 0.0037815700000000, -0.0005030800000000, 0.0035781400000000 ] - [ 0.0034974200000000, 0.0000000000000000, 0.0021277700000000 ] - [ 0.0025305300000000, 0.0001188100000000, 0.0002908400000000 ] - [ 0.0025305300000000, -0.0001188100000000, 0.0002908400000000 ] - [ 0.0026750400000000, 0.0000000000000000, 0.0005646100000000 ] - [ -0.0016185800000000, -0.0007336500000000, 0.0001138200000000 ] - [ -0.0016185800000000, 0.0007336500000000, 0.0001138200000000 ] - [ 0.0007105700000000, 0.0000000000000000, 0.0005633300000000 ] - [ -0.0083048700000000, 0.0002957500000000, 0.0010352000000000 ] - [ -0.0083048700000000, -0.0002957500000000, 0.0010352000000000 ] - [ -0.0079056700000000, 0.0000000000000000, 0.0010606700000000 ] - [ -0.0145611200000000, -0.0161063300000000, 0.0037914900000000 ] - [ -0.0145611200000000, 0.0161063300000000, 0.0037914900000000 ] - [ 0.0047812200000000, 0.0000000000000000, -0.0018122700000000 ] - [ 0.0019539200000000, 0.0000000000000000, 0.0005005700000000 ] - [ 0.0018910400000000, 0.0001456200000000, 0.0013045900000000 ] - [ 0.0018910400000000, -0.0001456200000000, 0.0013045900000000 ] - [ -0.0015816300000000, 0.0000000000000000, -0.0011499700000000 ] - [ -0.0020992200000000, 0.0005778200000000, -0.0006525000000000 ] - [ -0.0020992200000000, -0.0005778200000000, -0.0006525000000000 ] - [ -0.0070866400000000, 0.0000000000000000, 0.0018005500000000 ] - [ -0.0069002300000000, 0.0002201600000000, 0.0022751700000000 ] - [ -0.0069002300000000, -0.0002201600000000, 0.0022751700000000 ] - [ 0.0079068400000000, 0.0000000000000000, -0.0011328900000000 ] - [ 0.0079458300000000, -0.0000620900000000, -0.0011545200000000 ] - [ 0.0079458300000000, 0.0000620900000000, -0.0011545200000000 ] - [ 0.0738796300000000, 0.0000000000000000, 0.0133004900000000 ] - [ 0.0102246500000000, -0.0002550600000000, -0.0005629900000000 ] - [ 0.0102246500000000, 0.0002550600000000, -0.0005629900000000 ] - [ -0.0052263700000000, 0.0000000000000000, -0.0070383500000000 ] - [ -0.0074526200000000, 0.0032555200000000, -0.0089942300000000 ] - [ -0.0074526200000000, -0.0032555200000000, -0.0089942300000000 ] - [ -0.0018588300000000, 0.0000000000000000, 0.0027209000000000 ] - [ -0.0025634100000000, -0.0003342600000000, 0.0011868600000000 ] - [ -0.0025634100000000, 0.0003342600000000, 0.0011868600000000 ] - [ -0.0082237200000000, 0.0000000000000000, 0.0058704500000000 ] - [ -0.0082169100000000, 0.0001270000000000, 0.0058291800000000 ] - [ -0.0082169100000000, -0.0001270000000000, 0.0058291800000000 ] - [ 0.0080294400000000, 0.0000000000000000, -0.0062258300000000 ] - [ 0.0075718000000000, -0.0005175100000000, -0.0067240300000000 ] - [ 0.0075718000000000, 0.0005175100000000, -0.0067240300000000 ] - [ 0.0040295400000000, 0.0000000000000000, 0.0067865000000000 ] - [ 0.0036788200000000, -0.0002084100000000, 0.0068587000000000 ] - [ 0.0036788200000000, 0.0002084100000000, 0.0068587000000000 ] - [ -0.0065109300000000, 0.0000000000000000, 0.0006403300000000 ] - [ -0.0066053400000000, -0.0000016400000000, 0.0007919600000000 ] - [ -0.0066053400000000, 0.0000016400000000, 0.0007919600000000 ] - [ 0.0022625800000000, 0.0000000000000000, -0.0018472200000000 ] - [ 0.0022411800000000, -0.0000572000000000, -0.0016781300000000 ] - [ 0.0022411800000000, 0.0000572000000000, -0.0016781300000000 ] - [ 0.0065941600000000, -0.0000118000000000, -0.0006955100000000 ] - [ 0.0065941600000000, 0.0000118000000000, -0.0006955100000000 ] - [ 0.0066732000000000, 0.0000000000000000, -0.0007214700000000 ] - [ -0.0040431600000000, -0.0000310300000000, -0.0065740500000000 ] - [ -0.0040431600000000, 0.0000310300000000, -0.0065740500000000 ] - [ -0.0042872600000000, 0.0000000000000000, -0.0066995600000000 ] - [ -0.0023555600000000, 0.0000812300000000, 0.0016788700000000 ] - [ -0.0023555600000000, -0.0000812300000000, 0.0016788700000000 ] - [ -0.0021881300000000, 0.0000000000000000, 0.0016610200000000 ] - [ -0.0089394000000000, -0.0015702000000000, 0.0041908000000000 ] - [ -0.0089394000000000, 0.0015702000000000, 0.0041908000000000 ] - [ -0.0078204000000000, 0.0000000000000000, 0.0060091100000000 ] - [ 0.0073022200000000, 0.0010426400000000, -0.0048667000000000 ] - [ 0.0073022200000000, -0.0010426400000000, -0.0048667000000000 ] - [ 0.0082272800000000, 0.0000000000000000, -0.0058258400000000 ] - [ 0.0037784200000000, 0.0001459200000000, 0.0063439900000000 ] - [ 0.0037784200000000, -0.0001459200000000, 0.0063439900000000 ] - [ 0.0030482600000000, 0.0000000000000000, 0.0059467300000000 ] - [ -0.0072637500000000, -0.0000069000000000, 0.0001336100000000 ] - [ -0.0072637500000000, 0.0000069000000000, 0.0001336100000000 ] - [ -0.0073802000000000, 0.0000000000000000, -0.0000328800000000 ] - [ -0.0017860700000000, 0.0035643900000000, -0.0037242000000000 ] - [ -0.0017860700000000, -0.0035643900000000, -0.0037242000000000 ] - [ 0.0028620400000000, 0.0000000000000000, -0.0016282700000000 ] - [ 0.0009563500000000, 0.0007093200000000, -0.0023527100000000 ] - [ 0.0009563500000000, -0.0007093200000000, -0.0023527100000000 ] - [ 0.0002451700000000, 0.0000000000000000, -0.0018509700000000 ] - [ -0.0005044100000000, 0.0001164000000000, 0.0026607400000000 ] - [ -0.0005044100000000, -0.0001164000000000, 0.0026607400000000 ] - [ -0.0001529900000000, 0.0000000000000000, 0.0022088500000000 ] - [ 0.0001282000000000, 0.0000000000000000, -0.0021397400000000 ] - [ 0.0001151200000000, 0.0000007900000000, -0.0021648400000000 ] - [ 0.0001151200000000, -0.0000007900000000, -0.0021648400000000 ] - [ -0.0004905500000000, 0.0000000000000000, 0.0018367600000000 ] - [ -0.0008443400000000, -0.0006027100000000, 0.0016025600000000 ] - [ -0.0008443400000000, 0.0006027100000000, 0.0016025600000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0032806700000000, 0.0014190800000000, -0.0016966900000000 ] - [ -0.0035829300000000, -0.0010936100000000, -0.0018428900000000 ] - [ -0.0028993400000000, -0.0010983400000000, -0.0014396700000000 ] - [ 0.0032393300000000, 0.0009105500000000, 0.0016401600000000 ] - [ 0.0034571400000000, -0.0004081200000000, 0.0015569000000000 ] - [ 0.0030187600000000, -0.0004069800000000, 0.0017247700000000 ] - [ -0.0033144000000000, 0.0000321800000000, -0.0017746700000000 ] - [ -0.0031606300000000, 0.0000319400000000, -0.0015080800000000 ] - [ -0.0032369000000000, -0.0001112500000000, -0.0016409800000000 ] - [ 0.0034220700000000, 0.0005024900000000, 0.0027112300000000 ] - [ 0.0030536000000000, 0.0005007400000000, 0.0005736200000000 ] - [ 0.0032372700000000, -0.0004127200000000, 0.0016411100000000 ] - [ 0.0024957100000000, 0.0001290300000000, 0.0001889600000000 ] - [ 0.0022155300000000, 0.0001288700000000, 0.0000452500000000 ] - [ 0.0023543800000000, -0.0004289900000000, 0.0001172600000000 ] - [ -0.0028084100000000, 0.0006938600000000, -0.0002357300000000 ] - [ -0.0018998500000000, 0.0006872600000000, 0.0000024500000000 ] - [ -0.0023492700000000, -0.0040868300000000, -0.0001148000000000 ] - [ -0.0080656200000000, 0.0003686200000000, 0.0017871100000000 ] - [ -0.0069035800000000, 0.0003701400000000, 0.0007605200000000 ] - [ -0.0074855900000000, -0.0002992400000000, 0.0012755700000000 ] - [ 0.0187807300000000, 0.0156936000000000, -0.0090184700000000 ] - [ -0.0044255100000000, 0.0161924900000000, 0.0065540500000000 ] - [ 0.0075038200000000, -0.0028664900000000, -0.0012754800000000 ] - [ 0.0023538900000000, 0.0000698500000000, 0.0001226800000000 ] - [ 0.0017039600000000, -0.0002718800000000, 0.0015473700000000 ] - [ 0.0030049000000000, -0.0002804300000000, -0.0013215000000000 ] - [ -0.0023484000000000, 0.0002742800000000, -0.0001200500000000 ] - [ -0.0024485100000000, -0.0004100300000000, -0.0000019300000000 ] - [ -0.0022597200000000, -0.0004121300000000, -0.0002362500000000 ] - [ -0.0074859800000000, -0.0003733400000000, 0.0012763100000000 ] - [ -0.0077706100000000, -0.0000681600000000, 0.0008402700000000 ] - [ -0.0072047500000000, -0.0000647400000000, 0.0017126300000000 ] - [ 0.0074863700000000, -0.0000182500000000, -0.0012757900000000 ] - [ 0.0074222200000000, -0.0000267700000000, -0.0011902000000000 ] - [ 0.0075509100000000, -0.0000268300000000, -0.0013615000000000 ] - [ 0.0075074100000000, -0.0539138700000000, -0.0005997200000000 ] - [ 0.0065727300000000, 0.0022899100000000, -0.0006544300000000 ] - [ 0.0070867300000000, 0.0022327400000000, -0.0004937100000000 ] - [ -0.0039773000000000, -0.0015032200000000, -0.0065162400000000 ] - [ -0.0084735200000000, 0.0052183800000000, -0.0096809800000000 ] - [ 0.0005189800000000, 0.0052048800000000, -0.0033387900000000 ] - [ -0.0024408200000000, -0.0003418300000000, 0.0017059200000000 ] - [ -0.0023945100000000, 0.0002854400000000, 0.0018073000000000 ] - [ -0.0024962400000000, 0.0002861600000000, 0.0015894200000000 ] - [ -0.0081379200000000, -0.0000092600000000, 0.0059109400000000 ] - [ -0.0082078000000000, 0.0000886700000000, 0.0058783500000000 ] - [ -0.0080669600000000, 0.0000888400000000, 0.0059441000000000 ] - [ 0.0081380000000000, -0.0000262300000000, -0.0059105600000000 ] - [ 0.0081531100000000, 0.0006039800000000, -0.0053971700000000 ] - [ 0.0081193100000000, 0.0006065200000000, -0.0064274300000000 ] - [ 0.0039690400000000, 0.0000411600000000, 0.0065115100000000 ] - [ 0.0041197500000000, 0.0001482500000000, 0.0065263100000000 ] - [ 0.0038207500000000, 0.0001473300000000, 0.0064962700000000 ] - [ -0.0068459100000000, -0.0004405700000000, 0.0005766500000000 ] - [ -0.0068444700000000, 0.0001394900000000, 0.0006337300000000 ] - [ -0.0068465200000000, 0.0001393700000000, 0.0005177900000000 ] - [ 0.0024453300000000, -0.0002292300000000, -0.0016979300000000 ] - [ 0.0024077000000000, 0.0001449700000000, -0.0016859400000000 ] - [ 0.0024836000000000, 0.0001445400000000, -0.0017114500000000 ] - [ 0.0068338600000000, 0.0000250700000000, -0.0005601600000000 ] - [ 0.0068572600000000, 0.0000248100000000, -0.0005909800000000 ] - [ 0.0068454900000000, 0.0000441300000000, -0.0005754600000000 ] - [ -0.0038908700000000, 0.0000146500000000, -0.0064526400000000 ] - [ -0.0040478200000000, 0.0000145600000000, -0.0065685400000000 ] - [ -0.0039695000000000, 0.0001788500000000, -0.0065110900000000 ] - [ -0.0023382000000000, -0.0001210200000000, 0.0018938400000000 ] - [ -0.0025519700000000, -0.0001207100000000, 0.0015066700000000 ] - [ -0.0024460700000000, 0.0002279600000000, 0.0016990400000000 ] - [ -0.0072560400000000, 0.0008725300000000, 0.0079180200000000 ] - [ -0.0090186200000000, 0.0008740300000000, 0.0038874700000000 ] - [ -0.0081389500000000, 0.0005569200000000, 0.0059105300000000 ] - [ 0.0074159800000000, 0.0008005700000000, -0.0052417400000000 ] - [ 0.0088725200000000, 0.0008092400000000, -0.0065993200000000 ] - [ 0.0081371000000000, 0.0002545600000000, -0.0059103400000000 ] - [ 0.0037575900000000, 0.0000869500000000, 0.0063922300000000 ] - [ 0.0041806700000000, 0.0000893800000000, 0.0066278200000000 ] - [ 0.0039751300000000, 0.0013442800000000, 0.0065120100000000 ] - [ -0.0068361600000000, 0.0003863000000000, 0.0003914300000000 ] - [ -0.0068520600000000, 0.0003866800000000, 0.0007610800000000 ] - [ -0.0068442300000000, -0.0002778300000000, 0.0005760900000000 ] - [ -0.0003853200000000, 0.0015811600000000, -0.0030997400000000 ] - [ 0.0052859200000000, 0.0015728700000000, -0.0002943500000000 ] - [ 0.0024455800000000, 0.0005445600000000, -0.0016987400000000 ] - [ 0.0009523800000000, 0.0016044500000000, -0.0045314000000000 ] - [ -0.0005678000000000, 0.0016044100000000, 0.0004393000000000 ] - [ 0.0001965200000000, 0.0002798500000000, -0.0020542300000000 ] - [ 0.0007065800000000, -0.0001928200000000, 0.0013948700000000 ] - [ -0.0011032900000000, -0.0001938400000000, 0.0027169700000000 ] - [ -0.0001970600000000, 0.0001100900000000, 0.0020549100000000 ] - [ 0.0001958400000000, -0.0000247600000000, -0.0020542500000000 ] - [ 0.0001790500000000, 0.0000116200000000, -0.0020366000000000 ] - [ 0.0002121800000000, 0.0000117600000000, -0.0020719300000000 ] - [ -0.0001952500000000, -0.0003158100000000, 0.0020540600000000 ] - [ 0.0001454400000000, 0.0003744200000000, 0.0022081400000000 ] - [ -0.0005362800000000, 0.0003738100000000, 0.0018995400000000 ]- atom: 37 displacement: [ -0.0048805429774377, 0.0000000000000000, 0.0087281326894922 ] forces: - [ 0.0098784600000000, 0.0000000000000000, 0.0265995000000000 ] - [ -0.0042577900000000, -0.0001823900000000, -0.0010427500000000 ] - [ -0.0042577900000000, 0.0001823900000000, -0.0010427500000000 ] - [ 0.0035941900000000, 0.0000000000000000, 0.0015764200000000 ] - [ 0.0034178400000000, -0.0000450100000000, 0.0015416900000000 ] - [ 0.0034178400000000, 0.0000450100000000, 0.0015416900000000 ] - [ -0.0032349400000000, -0.0000448000000000, -0.0017475000000000 ] - [ -0.0032349400000000, 0.0000448000000000, -0.0017475000000000 ] - [ -0.0031847600000000, 0.0000000000000000, -0.0017085300000000 ] - [ 0.0031925700000000, 0.0001953400000000, 0.0023174800000000 ] - [ 0.0031925700000000, -0.0001953400000000, 0.0023174800000000 ] - [ 0.0030334400000000, 0.0000000000000000, 0.0017318500000000 ] - [ 0.0021076100000000, 0.0000377000000000, 0.0000480600000000 ] - [ 0.0021076100000000, -0.0000377000000000, 0.0000480600000000 ] - [ 0.0023449200000000, 0.0000000000000000, 0.0003103700000000 ] - [ -0.0021651700000000, -0.0006477700000000, 0.0000278400000000 ] - [ -0.0021651700000000, 0.0006477700000000, 0.0000278400000000 ] - [ -0.0008578800000000, 0.0000000000000000, 0.0003966200000000 ] - [ -0.0072574500000000, 0.0001770200000000, 0.0010275900000000 ] - [ -0.0072574500000000, -0.0001770200000000, 0.0010275900000000 ] - [ -0.0074508900000000, 0.0000000000000000, 0.0011647800000000 ] - [ -0.0072116600000000, -0.0130707900000000, 0.0045276900000000 ] - [ -0.0072116600000000, 0.0130707900000000, 0.0045276900000000 ] - [ 0.0063030900000000, 0.0000000000000000, -0.0012108100000000 ] - [ 0.0021651900000000, 0.0000000000000000, -0.0000666100000000 ] - [ 0.0013273700000000, 0.0008050700000000, 0.0005818700000000 ] - [ 0.0013273700000000, -0.0008050700000000, 0.0005818700000000 ] - [ -0.0025738100000000, 0.0000000000000000, -0.0007613200000000 ] - [ -0.0023882900000000, 0.0000004900000000, -0.0004236600000000 ] - [ -0.0023882900000000, -0.0000004900000000, -0.0004236600000000 ] - [ -0.0075745700000000, 0.0000000000000000, 0.0014347500000000 ] - [ -0.0079249300000000, -0.0003716500000000, 0.0015331600000000 ] - [ -0.0079249300000000, 0.0003716500000000, 0.0015331600000000 ] - [ 0.0075020500000000, 0.0000000000000000, -0.0013109500000000 ] - [ 0.0074784400000000, -0.0000133200000000, -0.0013572600000000 ] - [ 0.0074784400000000, 0.0000133200000000, -0.0013572600000000 ] - [ 0.0271652800000000, 0.0000000000000000, -0.0460275800000000 ] - [ 0.0084781800000000, -0.0000530000000000, -0.0009273500000000 ] - [ 0.0084781800000000, 0.0000530000000000, -0.0009273500000000 ] - [ -0.0039222000000000, 0.0000000000000000, -0.0065353500000000 ] - [ -0.0059656100000000, 0.0015795100000000, -0.0075735100000000 ] - [ -0.0059656100000000, -0.0015795100000000, -0.0075735100000000 ] - [ -0.0026398100000000, 0.0000000000000000, 0.0006950400000000 ] - [ -0.0021410700000000, -0.0000453300000000, 0.0015789000000000 ] - [ -0.0021410700000000, 0.0000453300000000, 0.0015789000000000 ] - [ -0.0081022700000000, 0.0000000000000000, 0.0059851500000000 ] - [ -0.0080877600000000, 0.0000970900000000, 0.0059544700000000 ] - [ -0.0080877600000000, -0.0000970900000000, 0.0059544700000000 ] - [ 0.0080500900000000, 0.0000000000000000, -0.0061088200000000 ] - [ 0.0078640000000000, -0.0003439700000000, -0.0062466200000000 ] - [ 0.0078640000000000, 0.0003439700000000, -0.0062466200000000 ] - [ 0.0041008100000000, 0.0000000000000000, 0.0066191900000000 ] - [ 0.0037487600000000, -0.0001160000000000, 0.0067013900000000 ] - [ 0.0037487600000000, 0.0001160000000000, 0.0067013900000000 ] - [ -0.0067398600000000, 0.0000000000000000, 0.0007111100000000 ] - [ -0.0069169300000000, 0.0000499500000000, 0.0006175500000000 ] - [ -0.0069169300000000, -0.0000499500000000, 0.0006175500000000 ] - [ 0.0022823200000000, 0.0000000000000000, -0.0016038600000000 ] - [ 0.0023766000000000, -0.0000427000000000, -0.0016530200000000 ] - [ 0.0023766000000000, 0.0000427000000000, -0.0016530200000000 ] - [ 0.0068268000000000, -0.0000191100000000, -0.0005793300000000 ] - [ 0.0068268000000000, 0.0000191100000000, -0.0005793300000000 ] - [ 0.0068878500000000, 0.0000000000000000, -0.0005864100000000 ] - [ -0.0037866500000000, -0.0000618300000000, -0.0065182300000000 ] - [ -0.0037866500000000, 0.0000618300000000, -0.0065182300000000 ] - [ -0.0038801300000000, 0.0000000000000000, -0.0064781000000000 ] - [ -0.0024347100000000, -0.0000018100000000, 0.0019391700000000 ] - [ -0.0024347100000000, 0.0000018100000000, 0.0019391700000000 ] - [ -0.0025074100000000, 0.0000000000000000, 0.0016794900000000 ] - [ -0.0057577500000000, 0.0024139100000000, 0.0064592000000000 ] - [ -0.0057577500000000, -0.0024139100000000, 0.0064592000000000 ] - [ -0.0080420600000000, 0.0000000000000000, 0.0058749400000000 ] - [ 0.0074624500000000, 0.0010133100000000, -0.0051752500000000 ] - [ 0.0074624500000000, -0.0010133100000000, -0.0051752500000000 ] - [ 0.0080714800000000, 0.0000000000000000, -0.0058608800000000 ] - [ 0.0042178000000000, -0.0000136500000000, 0.0065455000000000 ] - [ 0.0042178000000000, 0.0000136500000000, 0.0065455000000000 ] - [ 0.0052179100000000, 0.0000000000000000, 0.0067583900000000 ] - [ -0.0066630300000000, -0.0001642300000000, 0.0004158100000000 ] - [ -0.0066630300000000, 0.0001642300000000, 0.0004158100000000 ] - [ -0.0065764800000000, 0.0000000000000000, 0.0005412400000000 ] - [ 0.0013390000000000, 0.0009523600000000, -0.0028751300000000 ] - [ 0.0013390000000000, -0.0009523600000000, -0.0028751300000000 ] - [ 0.0025903400000000, 0.0000000000000000, -0.0016669200000000 ] - [ -0.0005244300000000, -0.0037590500000000, 0.0011141900000000 ] - [ -0.0005244300000000, 0.0037590500000000, 0.0011141900000000 ] - [ 0.0003503700000000, 0.0000000000000000, -0.0021450900000000 ] - [ -0.0004424800000000, 0.0000630800000000, 0.0022430100000000 ] - [ -0.0004424800000000, -0.0000630800000000, 0.0022430100000000 ] - [ -0.0002335500000000, 0.0000000000000000, 0.0020778100000000 ] - [ 0.0002142300000000, 0.0000000000000000, -0.0020570900000000 ] - [ 0.0001588900000000, -0.0000170600000000, -0.0020217500000000 ] - [ 0.0001588900000000, 0.0000170600000000, -0.0020217500000000 ] - [ -0.0002654400000000, 0.0000000000000000, 0.0020264600000000 ] - [ -0.0004361000000000, -0.0002802000000000, 0.0019393900000000 ] - [ -0.0004361000000000, 0.0002802000000000, 0.0019393900000000 ]- atom: 37 displacement: [ 0.0048805429774377, 0.0000000000000000, -0.0087281326894922 ] forces: - [ -0.0158916700000000, 0.0000000000000000, -0.0295520800000000 ] - [ -0.0022223400000000, 0.0001886600000000, -0.0022378400000000 ] - [ -0.0022223400000000, -0.0001886600000000, -0.0022378400000000 ] - [ 0.0028761200000000, 0.0000000000000000, 0.0017057100000000 ] - [ 0.0030522000000000, 0.0000473500000000, 0.0017414400000000 ] - [ 0.0030522000000000, -0.0000473500000000, 0.0017414400000000 ] - [ -0.0032395900000000, 0.0000449700000000, -0.0015328400000000 ] - [ -0.0032395900000000, -0.0000449700000000, -0.0015328400000000 ] - [ -0.0032890100000000, 0.0000000000000000, -0.0015713900000000 ] - [ 0.0032856700000000, -0.0001966900000000, 0.0009655100000000 ] - [ 0.0032856700000000, 0.0001966900000000, 0.0009655100000000 ] - [ 0.0034423400000000, 0.0000000000000000, 0.0015505100000000 ] - [ 0.0026053600000000, -0.0000382200000000, 0.0001855100000000 ] - [ 0.0026053600000000, 0.0000382200000000, 0.0001855100000000 ] - [ 0.0023656900000000, 0.0000000000000000, -0.0000768700000000 ] - [ -0.0025471200000000, 0.0006525500000000, -0.0002648700000000 ] - [ -0.0025471200000000, -0.0006525500000000, -0.0002648700000000 ] - [ -0.0038660600000000, 0.0000000000000000, -0.0006407100000000 ] - [ -0.0077121800000000, -0.0001815100000000, 0.0015173300000000 ] - [ -0.0077121800000000, 0.0001815100000000, 0.0015173300000000 ] - [ -0.0075209800000000, 0.0000000000000000, 0.0013843400000000 ] - [ 0.0220939600000000, 0.0128960800000000, -0.0071869300000000 ] - [ 0.0220939600000000, -0.0128960800000000, -0.0071869300000000 ] - [ 0.0086828700000000, 0.0000000000000000, -0.0013398200000000 ] - [ 0.0025525200000000, 0.0000000000000000, 0.0003034300000000 ] - [ 0.0033960700000000, -0.0008143100000000, -0.0003545400000000 ] - [ 0.0033960700000000, 0.0008143100000000, -0.0003545400000000 ] - [ -0.0021264500000000, 0.0000000000000000, 0.0005305400000000 ] - [ -0.0023167000000000, 0.0000093900000000, 0.0001868000000000 ] - [ -0.0023167000000000, -0.0000093900000000, 0.0001868000000000 ] - [ -0.0073953400000000, 0.0000000000000000, 0.0011170000000000 ] - [ -0.0070390300000000, 0.0003773500000000, 0.0010173200000000 ] - [ -0.0070390300000000, -0.0003773500000000, 0.0010173200000000 ] - [ 0.0074718600000000, 0.0000000000000000, -0.0012393900000000 ] - [ 0.0074957200000000, 0.0000136900000000, -0.0011924600000000 ] - [ 0.0074957200000000, -0.0000136900000000, -0.0011924600000000 ] - [ -0.0137956800000000, 0.0000000000000000, 0.0447008600000000 ] - [ 0.0052107200000000, 0.0000573800000000, -0.0002207100000000 ] - [ 0.0052107200000000, -0.0000573800000000, -0.0002207100000000 ] - [ -0.0040133400000000, 0.0000000000000000, -0.0064881700000000 ] - [ -0.0019559000000000, -0.0015956400000000, -0.0054371400000000 ] - [ -0.0019559000000000, 0.0015956400000000, -0.0054371400000000 ] - [ -0.0022468300000000, 0.0000000000000000, 0.0027064600000000 ] - [ -0.0027512100000000, 0.0000462700000000, 0.0018182500000000 ] - [ -0.0027512100000000, -0.0000462700000000, 0.0018182500000000 ] - [ -0.0081741900000000, 0.0000000000000000, 0.0058364200000000 ] - [ -0.0081889500000000, -0.0000983300000000, 0.0058676500000000 ] - [ -0.0081889500000000, 0.0000983300000000, 0.0058676500000000 ] - [ 0.0082266800000000, 0.0000000000000000, -0.0057110600000000 ] - [ 0.0084126000000000, 0.0003473100000000, -0.0055718900000000 ] - [ 0.0084126000000000, -0.0003473100000000, -0.0055718900000000 ] - [ 0.0038369400000000, 0.0000000000000000, 0.0064029400000000 ] - [ 0.0041887400000000, 0.0001159100000000, 0.0063225300000000 ] - [ 0.0041887400000000, -0.0001159100000000, 0.0063225300000000 ] - [ -0.0069529600000000, 0.0000000000000000, 0.0004352100000000 ] - [ -0.0067731200000000, -0.0000501100000000, 0.0005322400000000 ] - [ -0.0067731200000000, 0.0000501100000000, 0.0005322400000000 ] - [ 0.0026103900000000, 0.0000000000000000, -0.0017932600000000 ] - [ 0.0025153300000000, 0.0000431600000000, -0.0017436000000000 ] - [ 0.0025153300000000, -0.0000431600000000, -0.0017436000000000 ] - [ 0.0068632400000000, 0.0000191900000000, -0.0005708200000000 ] - [ 0.0068632400000000, -0.0000191900000000, -0.0005708200000000 ] - [ 0.0068017700000000, 0.0000000000000000, -0.0005638600000000 ] - [ -0.0041547400000000, 0.0000636700000000, -0.0065032800000000 ] - [ -0.0041547400000000, -0.0000636700000000, -0.0065032800000000 ] - [ -0.0040597800000000, 0.0000000000000000, -0.0065446300000000 ] - [ -0.0024554700000000, 0.0000020600000000, 0.0014557600000000 ] - [ -0.0024554700000000, -0.0000020600000000, 0.0014557600000000 ] - [ -0.0023816700000000, 0.0000000000000000, 0.0017166800000000 ] - [ -0.0105307200000000, -0.0024259700000000, 0.0053514900000000 ] - [ -0.0105307200000000, 0.0024259700000000, 0.0053514900000000 ] - [ -0.0082352600000000, 0.0000000000000000, 0.0059480100000000 ] - [ 0.0088215800000000, -0.0010287900000000, -0.0066521100000000 ] - [ 0.0088215800000000, 0.0010287900000000, -0.0066521100000000 ] - [ 0.0082053200000000, 0.0000000000000000, -0.0059594000000000 ] - [ 0.0037159400000000, 0.0000134300000000, 0.0064765300000000 ] - [ 0.0037159400000000, -0.0000134300000000, 0.0064765300000000 ] - [ 0.0027001100000000, 0.0000000000000000, 0.0062609500000000 ] - [ -0.0070312000000000, 0.0001662300000000, 0.0007360000000000 ] - [ -0.0070312000000000, -0.0001662300000000, 0.0007360000000000 ] - [ -0.0071186100000000, 0.0000000000000000, 0.0006084500000000 ] - [ 0.0035382000000000, -0.0009373100000000, -0.0005070200000000 ] - [ 0.0035382000000000, 0.0009373100000000, -0.0005070200000000 ] - [ 0.0023024200000000, 0.0000000000000000, -0.0017286500000000 ] - [ 0.0009166900000000, 0.0037221600000000, -0.0051886400000000 ] - [ 0.0009166900000000, -0.0037221600000000, -0.0051886400000000 ] - [ 0.0000416600000000, 0.0000000000000000, -0.0019639600000000 ] - [ 0.0000576700000000, -0.0000623900000000, 0.0018613900000000 ] - [ 0.0000576700000000, 0.0000623900000000, 0.0018613900000000 ] - [ -0.0001586100000000, 0.0000000000000000, 0.0020321500000000 ] - [ 0.0001767000000000, 0.0000000000000000, -0.0020525400000000 ] - [ 0.0002322500000000, 0.0000171900000000, -0.0020881300000000 ] - [ 0.0002322500000000, -0.0000171900000000, -0.0020881300000000 ] - [ -0.0001262600000000, 0.0000000000000000, 0.0020823600000000 ] - [ 0.0000459900000000, 0.0002814900000000, 0.0021690100000000 ] - [ 0.0000459900000000, -0.0002814900000000, 0.0021690100000000 ]- atom: 40 displacement: [ 0.0099998524231531, 0.0000000000000000, 0.0000543278488306 ] forces: - [ -0.0040090100000000, 0.0000000000000000, -0.0024603800000000 ] - [ -0.0044128000000000, 0.0001450600000000, -0.0031852900000000 ] - [ -0.0044128000000000, -0.0001450600000000, -0.0031852900000000 ] - [ 0.0032466800000000, 0.0000000000000000, 0.0019291400000000 ] - [ 0.0033675500000000, -0.0003694400000000, 0.0021973400000000 ] - [ 0.0033675500000000, 0.0003694400000000, 0.0021973400000000 ] - [ -0.0030214200000000, 0.0001883400000000, -0.0013344500000000 ] - [ -0.0030214200000000, -0.0001883400000000, -0.0013344500000000 ] - [ -0.0033195000000000, 0.0000000000000000, -0.0014489500000000 ] - [ 0.0026076300000000, 0.0001622200000000, 0.0010556700000000 ] - [ 0.0026076300000000, -0.0001622200000000, 0.0010556700000000 ] - [ 0.0021060900000000, 0.0000000000000000, 0.0001661000000000 ] - [ 0.0018141800000000, 0.0000103800000000, -0.0001515200000000 ] - [ 0.0018141800000000, -0.0000103800000000, -0.0001515200000000 ] - [ 0.0017842600000000, 0.0000000000000000, -0.0000594300000000 ] - [ 0.0014615700000000, 0.0007427100000000, -0.0007493600000000 ] - [ 0.0014615700000000, -0.0007427100000000, -0.0007493600000000 ] - [ 0.0013353500000000, 0.0000000000000000, 0.0014784700000000 ] - [ -0.0075541400000000, -0.0001410400000000, 0.0012560200000000 ] - [ -0.0075541400000000, 0.0001410400000000, 0.0012560200000000 ] - [ -0.0077426300000000, 0.0000000000000000, 0.0014708000000000 ] - [ 0.0100545400000000, -0.0005375000000000, 0.0015720800000000 ] - [ 0.0100545400000000, 0.0005375000000000, 0.0015720800000000 ] - [ 0.0109014000000000, 0.0000000000000000, -0.0004980100000000 ] - [ 0.0120515400000000, 0.0000000000000000, -0.0108218800000000 ] - [ 0.0044664900000000, -0.0005559300000000, 0.0008560200000000 ] - [ 0.0044664900000000, 0.0005559300000000, 0.0008560200000000 ] - [ -0.0029532300000000, 0.0000000000000000, -0.0001666800000000 ] - [ -0.0031796300000000, 0.0001181300000000, -0.0002664300000000 ] - [ -0.0031796300000000, -0.0001181300000000, -0.0002664300000000 ] - [ -0.0074219800000000, 0.0000000000000000, 0.0004531500000000 ] - [ -0.0069520900000000, -0.0001955200000000, -0.0007812100000000 ] - [ -0.0069520900000000, 0.0001955200000000, -0.0007812100000000 ] - [ 0.0071205400000000, 0.0000000000000000, -0.0015497100000000 ] - [ 0.0070611400000000, -0.0002060000000000, -0.0016858700000000 ] - [ 0.0070611400000000, 0.0002060000000000, -0.0016858700000000 ] - [ 0.0081046700000000, 0.0000000000000000, 0.0001772100000000 ] - [ 0.0103509200000000, 0.0045261000000000, -0.0009257100000000 ] - [ 0.0103509200000000, -0.0045261000000000, -0.0009257100000000 ] - [ -0.0532368400000000, 0.0000000000000000, 0.0009126500000000 ] - [ -0.0059714700000000, 0.0002244100000000, -0.0071993200000000 ] - [ -0.0059714700000000, -0.0002244100000000, -0.0071993200000000 ] - [ -0.0020784400000000, 0.0000000000000000, 0.0019376300000000 ] - [ -0.0018659800000000, 0.0001438000000000, 0.0020271600000000 ] - [ -0.0018659800000000, -0.0001438000000000, 0.0020271600000000 ] - [ -0.0079729900000000, 0.0000000000000000, 0.0061136700000000 ] - [ -0.0080342600000000, 0.0000337500000000, 0.0061927800000000 ] - [ -0.0080342600000000, -0.0000337500000000, 0.0061927800000000 ] - [ 0.0096434300000000, 0.0000000000000000, -0.0052601100000000 ] - [ 0.0102584400000000, -0.0053175500000000, -0.0028380200000000 ] - [ 0.0102584400000000, 0.0053175500000000, -0.0028380200000000 ] - [ 0.0045059000000000, 0.0000000000000000, 0.0066032800000000 ] - [ 0.0045790400000000, -0.0001447700000000, 0.0065737400000000 ] - [ 0.0045790400000000, 0.0001447700000000, 0.0065737400000000 ] - [ -0.0069095200000000, 0.0000000000000000, 0.0006901500000000 ] - [ -0.0065561200000000, 0.0001489500000000, 0.0004855600000000 ] - [ -0.0065561200000000, -0.0001489500000000, 0.0004855600000000 ] - [ 0.0029244500000000, 0.0000000000000000, -0.0022434300000000 ] - [ 0.0027523800000000, -0.0001755400000000, -0.0022571400000000 ] - [ 0.0027523800000000, 0.0001755400000000, -0.0022571400000000 ] - [ 0.0069185600000000, -0.0000781300000000, -0.0003235400000000 ] - [ 0.0069185600000000, 0.0000781300000000, -0.0003235400000000 ] - [ 0.0071634700000000, 0.0000000000000000, -0.0002949700000000 ] - [ -0.0034777700000000, -0.0000087300000000, -0.0063222300000000 ] - [ -0.0034777700000000, 0.0000087300000000, -0.0063222300000000 ] - [ -0.0034245000000000, 0.0000000000000000, -0.0063527300000000 ] - [ -0.0020158000000000, -0.0008295500000000, 0.0007142400000000 ] - [ -0.0020158000000000, 0.0008295500000000, 0.0007142400000000 ] - [ -0.0026144200000000, 0.0000000000000000, 0.0011457900000000 ] - [ -0.0057324200000000, -0.0035991700000000, 0.0027322900000000 ] - [ -0.0057324200000000, 0.0035991700000000, 0.0027322900000000 ] - [ -0.0085930500000000, 0.0000000000000000, 0.0055215500000000 ] - [ 0.0083191600000000, -0.0000551200000000, -0.0058034000000000 ] - [ 0.0083191600000000, 0.0000551200000000, -0.0058034000000000 ] - [ 0.0084374700000000, 0.0000000000000000, -0.0061414300000000 ] - [ 0.0037696000000000, 0.0013405600000000, 0.0079516800000000 ] - [ 0.0037696000000000, -0.0013405600000000, 0.0079516800000000 ] - [ 0.0027137700000000, 0.0000000000000000, 0.0063028500000000 ] - [ -0.0066542800000000, -0.0002112100000000, 0.0009680300000000 ] - [ -0.0066542800000000, 0.0002112100000000, 0.0009680300000000 ] - [ -0.0059348300000000, 0.0000000000000000, 0.0025250200000000 ] - [ 0.0028975200000000, 0.0000018300000000, -0.0013914900000000 ] - [ 0.0028975200000000, -0.0000018300000000, -0.0013914900000000 ] - [ 0.0031694300000000, 0.0000000000000000, -0.0011140500000000 ] - [ 0.0006001500000000, 0.0000729900000000, -0.0013940600000000 ] - [ 0.0006001500000000, -0.0000729900000000, -0.0013940600000000 ] - [ 0.0002004800000000, 0.0000000000000000, -0.0017694200000000 ] - [ -0.0002792900000000, 0.0002713300000000, 0.0016681000000000 ] - [ -0.0002792900000000, -0.0002713300000000, 0.0016681000000000 ] - [ -0.0004491000000000, 0.0000000000000000, 0.0018194300000000 ] - [ 0.0000273100000000, 0.0000000000000000, -0.0019627900000000 ] - [ -0.0000320100000000, 0.0000644600000000, -0.0019097100000000 ] - [ -0.0000320100000000, -0.0000644600000000, -0.0019097100000000 ] - [ 0.0000013600000000, 0.0000000000000000, 0.0023066500000000 ] - [ 0.0000718600000000, 0.0001695500000000, 0.0025632400000000 ] - [ 0.0000718600000000, -0.0001695500000000, 0.0025632400000000 ]- atom: 40 displacement: [ -0.0099998524231531, 0.0000000000000000, -0.0000543278488306 ] forces: - [ -0.0024685200000000, 0.0000000000000000, -0.0008290300000000 ] - [ -0.0020650800000000, -0.0001440000000000, -0.0000985000000000 ] - [ -0.0020650800000000, 0.0001440000000000, -0.0000985000000000 ] - [ 0.0032407200000000, 0.0000000000000000, 0.0013532600000000 ] - [ 0.0031166500000000, 0.0003801100000000, 0.0010822900000000 ] - [ 0.0031166500000000, -0.0003801100000000, 0.0010822900000000 ] - [ -0.0034652300000000, -0.0001937600000000, -0.0019520100000000 ] - [ -0.0034652300000000, 0.0001937600000000, -0.0019520100000000 ] - [ -0.0031594300000000, 0.0000000000000000, -0.0018332200000000 ] - [ 0.0038707700000000, -0.0001640000000000, 0.0022244000000000 ] - [ 0.0038707700000000, 0.0001640000000000, 0.0022244000000000 ] - [ 0.0043746800000000, 0.0000000000000000, 0.0031155500000000 ] - [ 0.0028976400000000, -0.0000104300000000, 0.0003862500000000 ] - [ 0.0028976400000000, 0.0000104300000000, 0.0003862500000000 ] - [ 0.0029270600000000, 0.0000000000000000, 0.0002932600000000 ] - [ -0.0063905000000000, -0.0009528000000000, 0.0004867300000000 ] - [ -0.0063905000000000, 0.0009528000000000, 0.0004867300000000 ] - [ -0.0060733500000000, 0.0000000000000000, -0.0017284000000000 ] - [ -0.0074141900000000, 0.0001409700000000, 0.0012965100000000 ] - [ -0.0074141900000000, -0.0001409700000000, 0.0012965100000000 ] - [ -0.0072267400000000, 0.0000000000000000, 0.0010830000000000 ] - [ 0.0050972400000000, 0.0003408800000000, -0.0040150000000000 ] - [ 0.0050972400000000, -0.0003408800000000, -0.0040150000000000 ] - [ 0.0040878000000000, 0.0000000000000000, -0.0020503700000000 ] - [ -0.0073444900000000, 0.0000000000000000, 0.0108621200000000 ] - [ 0.0002450200000000, 0.0005652200000000, -0.0006252800000000 ] - [ 0.0002450200000000, -0.0005652200000000, -0.0006252800000000 ] - [ -0.0017573200000000, 0.0000000000000000, -0.0000668400000000 ] - [ -0.0015303300000000, -0.0001175700000000, 0.0000328300000000 ] - [ -0.0015303300000000, 0.0001175700000000, 0.0000328300000000 ] - [ -0.0075571200000000, 0.0000000000000000, 0.0021060800000000 ] - [ -0.0080286300000000, 0.0002008500000000, 0.0033435300000000 ] - [ -0.0080286300000000, -0.0002008500000000, 0.0033435300000000 ] - [ 0.0078501300000000, 0.0000000000000000, -0.0010043500000000 ] - [ 0.0079096700000000, 0.0002073900000000, -0.0008655600000000 ] - [ 0.0079096700000000, -0.0002073900000000, -0.0008655600000000 ] - [ 0.0056389900000000, 0.0000000000000000, -0.0013073700000000 ] - [ 0.0033632400000000, -0.0045008000000000, -0.0002274400000000 ] - [ 0.0033632400000000, 0.0045008000000000, -0.0002274400000000 ] - [ 0.0453611200000000, 0.0000000000000000, -0.0137864200000000 ] - [ -0.0019596500000000, -0.0002431300000000, -0.0058227000000000 ] - [ -0.0019596500000000, 0.0002431300000000, -0.0058227000000000 ] - [ -0.0028125900000000, 0.0000000000000000, 0.0014585500000000 ] - [ -0.0030277800000000, -0.0001446700000000, 0.0013695600000000 ] - [ -0.0030277800000000, 0.0001446700000000, 0.0013695600000000 ] - [ -0.0083033100000000, 0.0000000000000000, 0.0057082900000000 ] - [ -0.0082406700000000, -0.0000345900000000, 0.0056292800000000 ] - [ -0.0082406700000000, 0.0000345900000000, 0.0056292800000000 ] - [ 0.0065728800000000, 0.0000000000000000, -0.0065849000000000 ] - [ 0.0059829400000000, 0.0053696700000000, -0.0090147800000000 ] - [ 0.0059829400000000, -0.0053696700000000, -0.0090147800000000 ] - [ 0.0034292500000000, 0.0000000000000000, 0.0064176400000000 ] - [ 0.0033589400000000, 0.0001441900000000, 0.0064474500000000 ] - [ 0.0033589400000000, -0.0001441900000000, 0.0064474500000000 ] - [ -0.0067839300000000, 0.0000000000000000, 0.0004581300000000 ] - [ -0.0071377700000000, -0.0001502500000000, 0.0006633200000000 ] - [ -0.0071377700000000, 0.0001502500000000, 0.0006633200000000 ] - [ 0.0019621300000000, 0.0000000000000000, -0.0011501500000000 ] - [ 0.0021383600000000, 0.0001723400000000, -0.0011309800000000 ] - [ 0.0021383600000000, -0.0001723400000000, -0.0011309800000000 ] - [ 0.0067752100000000, 0.0000795200000000, -0.0008268800000000 ] - [ 0.0067752100000000, -0.0000795200000000, -0.0008268800000000 ] - [ 0.0065303900000000, 0.0000000000000000, -0.0008570300000000 ] - [ -0.0044611100000000, 0.0000085200000000, -0.0067000100000000 ] - [ -0.0044611100000000, -0.0000085200000000, -0.0067000100000000 ] - [ -0.0045144300000000, 0.0000000000000000, -0.0066691700000000 ] - [ -0.0028856200000000, 0.0008488900000000, 0.0026975500000000 ] - [ -0.0028856200000000, -0.0008488900000000, 0.0026975500000000 ] - [ -0.0022772900000000, 0.0000000000000000, 0.0022526100000000 ] - [ -0.0105174500000000, 0.0035592600000000, 0.0090542100000000 ] - [ -0.0105174500000000, -0.0035592600000000, 0.0090542100000000 ] - [ -0.0076845600000000, 0.0000000000000000, 0.0063026100000000 ] - [ 0.0079550500000000, 0.0000551100000000, -0.0060201700000000 ] - [ 0.0079550500000000, -0.0000551100000000, -0.0060201700000000 ] - [ 0.0078362700000000, 0.0000000000000000, -0.0056813700000000 ] - [ 0.0041779500000000, -0.0013455000000000, 0.0050663400000000 ] - [ 0.0041779500000000, 0.0013455000000000, 0.0050663400000000 ] - [ 0.0052305900000000, 0.0000000000000000, 0.0067223700000000 ] - [ -0.0070338100000000, 0.0002130500000000, 0.0001815300000000 ] - [ -0.0070338100000000, -0.0002130500000000, 0.0001815300000000 ] - [ -0.0077570600000000, 0.0000000000000000, -0.0013802100000000 ] - [ 0.0019951700000000, -0.0000026900000000, -0.0020025800000000 ] - [ 0.0019951700000000, 0.0000026900000000, -0.0020025800000000 ] - [ 0.0017213600000000, 0.0000000000000000, -0.0022812600000000 ] - [ -0.0002087800000000, -0.0000725700000000, -0.0027136900000000 ] - [ -0.0002087800000000, 0.0000725700000000, -0.0027136900000000 ] - [ 0.0001898800000000, 0.0000000000000000, -0.0023405900000000 ] - [ -0.0001127000000000, -0.0002718300000000, 0.0024434400000000 ] - [ -0.0001127000000000, 0.0002718300000000, 0.0024434400000000 ] - [ 0.0000558300000000, 0.0000000000000000, 0.0022897300000000 ] - [ 0.0003650800000000, 0.0000000000000000, -0.0021454500000000 ] - [ 0.0004249800000000, -0.0000660000000000, -0.0021992000000000 ] - [ 0.0004249800000000, 0.0000660000000000, -0.0021992000000000 ] - [ -0.0003912800000000, 0.0000000000000000, 0.0018030800000000 ] - [ -0.0004609000000000, -0.0001707500000000, 0.0015444700000000 ] - [ -0.0004609000000000, 0.0001707500000000, 0.0015444700000000 ]- atom: 40 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0032380600000000, 0.0004968900000000, -0.0016377600000000 ] - [ -0.0040119200000000, -0.0001214500000000, -0.0027604900000000 ] - [ -0.0024677200000000, -0.0001239000000000, -0.0005259200000000 ] - [ 0.0032394900000000, 0.0000609100000000, 0.0016384700000000 ] - [ 0.0031094700000000, -0.0000077900000000, 0.0016315700000000 ] - [ 0.0033711800000000, -0.0000206100000000, 0.0016484900000000 ] - [ -0.0032607000000000, 0.0001528600000000, -0.0016603400000000 ] - [ -0.0032194500000000, 0.0001501400000000, -0.0016271700000000 ] - [ -0.0032386400000000, -0.0006318200000000, -0.0016404200000000 ] - [ 0.0032510300000000, -0.0000016500000000, 0.0017820000000000 ] - [ 0.0032249800000000, -0.0000016000000000, 0.0015003000000000 ] - [ 0.0032381000000000, 0.0003230300000000, 0.0016397600000000 ] - [ 0.0023110900000000, -0.0000348200000000, 0.0001072600000000 ] - [ 0.0023994100000000, -0.0000334400000000, 0.0001268000000000 ] - [ 0.0023556600000000, -0.0000843900000000, 0.0001172300000000 ] - [ -0.0001089300000000, 0.0032462300000000, -0.0010385200000000 ] - [ -0.0048331500000000, 0.0034067500000000, 0.0007747100000000 ] - [ -0.0023514800000000, -0.0036671700000000, -0.0001186700000000 ] - [ -0.0075371500000000, 0.0000528800000000, 0.0013375900000000 ] - [ -0.0074307400000000, 0.0000533200000000, 0.0012167600000000 ] - [ -0.0074838600000000, -0.0001767500000000, 0.0012759500000000 ] - [ 0.0076311300000000, 0.0022911400000000, -0.0036385500000000 ] - [ 0.0075215400000000, 0.0024439700000000, 0.0011881100000000 ] - [ 0.0074859200000000, -0.0035165300000000, -0.0012764000000000 ] - [ 0.0023471200000000, 0.0051985900000000, 0.0001511200000000 ] - [ 0.0024615200000000, -0.0013340600000000, 0.0006967800000000 ] - [ 0.0022446200000000, -0.0013411100000000, -0.0004550400000000 ] - [ -0.0023551700000000, 0.0001739700000000, -0.0001175100000000 ] - [ -0.0025612800000000, -0.0001444200000000, -0.0000465200000000 ] - [ -0.0021511600000000, -0.0001460800000000, -0.0001876500000000 ] - [ -0.0074901000000000, 0.0006239400000000, 0.0012745200000000 ] - [ -0.0069515200000000, -0.0008813900000000, 0.0027987400000000 ] - [ -0.0080233200000000, -0.0008805400000000, -0.0002422000000000 ] - [ 0.0074853500000000, 0.0000142900000000, -0.0012762500000000 ] - [ 0.0075509400000000, -0.0000516700000000, -0.0013036200000000 ] - [ 0.0074203800000000, -0.0000516500000000, -0.0012478500000000 ] - [ 0.0068440500000000, -0.0015032300000000, -0.0005803100000000 ] - [ 0.0101110300000000, 0.0052258000000000, -0.0005742100000000 ] - [ 0.0036003500000000, 0.0051976100000000, -0.0005768000000000 ] - [ -0.0039217200000000, -0.0407269000000000, -0.0065847700000000 ] - [ -0.0042039200000000, 0.0022609200000000, -0.0064813200000000 ] - [ -0.0037360200000000, 0.0022054600000000, -0.0065412700000000 ] - [ -0.0024457300000000, -0.0000872000000000, 0.0016985000000000 ] - [ -0.0023229400000000, 0.0001615200000000, 0.0017369100000000 ] - [ -0.0025684200000000, 0.0001624600000000, 0.0016603800000000 ] - [ -0.0081379700000000, 0.0000650400000000, 0.0059112000000000 ] - [ -0.0081187000000000, 0.0000162400000000, 0.0058674500000000 ] - [ -0.0081564900000000, 0.0000168500000000, 0.0059548100000000 ] - [ 0.0081435100000000, -0.0016776800000000, -0.0059126600000000 ] - [ 0.0063859200000000, 0.0052044200000000, -0.0083487900000000 ] - [ 0.0098805900000000, 0.0051778100000000, -0.0034876500000000 ] - [ 0.0039686500000000, 0.0000413100000000, 0.0065106400000000 ] - [ 0.0038242800000000, 0.0001150000000000, 0.0064942200000000 ] - [ 0.0041130600000000, 0.0001158800000000, 0.0065270700000000 ] - [ -0.0068476400000000, 0.0000411900000000, 0.0005744800000000 ] - [ -0.0066378700000000, 0.0001471300000000, 0.0005590400000000 ] - [ -0.0070566600000000, 0.0001487600000000, 0.0005906000000000 ] - [ 0.0024428300000000, -0.0000602000000000, -0.0016953900000000 ] - [ 0.0022707300000000, 0.0004860700000000, -0.0014980000000000 ] - [ 0.0026210400000000, 0.0004908300000000, -0.0018921800000000 ] - [ 0.0068135000000000, 0.0000145400000000, -0.0005213000000000 ] - [ 0.0068772500000000, 0.0000148200000000, -0.0006294000000000 ] - [ 0.0068464600000000, 0.0001789700000000, -0.0005758400000000 ] - [ -0.0039600100000000, 0.0000246500000000, -0.0065256300000000 ] - [ -0.0039774500000000, 0.0000239300000000, -0.0064958300000000 ] - [ -0.0039692300000000, 0.0000923000000000, -0.0065109100000000 ] - [ -0.0024657000000000, -0.0000995800000000, 0.0017914100000000 ] - [ -0.0024353800000000, -0.0001185700000000, 0.0016236700000000 ] - [ -0.0024458000000000, 0.0003095600000000, 0.0016985800000000 ] - [ -0.0110064000000000, 0.0020868300000000, 0.0084343600000000 ] - [ -0.0052378300000000, 0.0020893900000000, 0.0033700000000000 ] - [ -0.0081369900000000, 0.0006972300000000, 0.0059089000000000 ] - [ 0.0081134100000000, 0.0000706100000000, -0.0060386200000000 ] - [ 0.0081618500000000, 0.0000698200000000, -0.0057838100000000 ] - [ 0.0081363700000000, 0.0000823800000000, -0.0059108200000000 ] - [ 0.0052950700000000, 0.0015405300000000, 0.0084246700000000 ] - [ 0.0026299100000000, 0.0015480600000000, 0.0045792700000000 ] - [ 0.0039696600000000, 0.0008884800000000, 0.0065110500000000 ] - [ -0.0069910000000000, 0.0000892600000000, 0.0004777900000000 ] - [ -0.0066993800000000, 0.0000873700000000, 0.0006719400000000 ] - [ -0.0068449800000000, 0.0013443200000000, 0.0005763500000000 ] - [ 0.0022950200000000, -0.0001087500000000, -0.0017478300000000 ] - [ 0.0025956100000000, -0.0001106100000000, -0.0016502800000000 ] - [ 0.0024461900000000, 0.0003416500000000, -0.0016977500000000 ] - [ -0.0001445600000000, -0.0001789900000000, -0.0025978900000000 ] - [ 0.0005384200000000, -0.0001809200000000, -0.0015083800000000 ] - [ 0.0001961700000000, 0.0003715300000000, -0.0020538600000000 ] - [ -0.0002574300000000, -0.0000711100000000, 0.0019712200000000 ] - [ -0.0001345500000000, -0.0000692200000000, 0.0021364900000000 ] - [ -0.0001975000000000, 0.0001414300000000, 0.0020549800000000 ] - [ 0.0001956600000000, -0.0001004400000000, -0.0020532500000000 ] - [ 0.0002593800000000, 0.0000865300000000, -0.0021875000000000 ] - [ 0.0001334400000000, 0.0000872300000000, -0.0019216900000000 ] - [ -0.0001951700000000, -0.0000583300000000, 0.0020546000000000 ] - [ -0.0003264300000000, 0.0000764600000000, 0.0020082600000000 ] - [ -0.0000640900000000, 0.0000774900000000, 0.0020998000000000 ]- atom: 40 displacement: [ -0.0048805429774377, 0.0000000000000000, 0.0087281326894922 ] forces: - [ -0.0031911100000000, 0.0000000000000000, -0.0016297200000000 ] - [ -0.0032332900000000, 0.0001223600000000, -0.0018605400000000 ] - [ -0.0032332900000000, -0.0001223600000000, -0.0018605400000000 ] - [ 0.0044105100000000, 0.0000000000000000, 0.0007189200000000 ] - [ 0.0047254100000000, 0.0010480500000000, 0.0010625400000000 ] - [ 0.0047254100000000, -0.0010480500000000, 0.0010625400000000 ] - [ -0.0038059800000000, 0.0004914700000000, -0.0024667500000000 ] - [ -0.0038059800000000, -0.0004914700000000, -0.0024667500000000 ] - [ -0.0035188300000000, 0.0000000000000000, -0.0016538600000000 ] - [ 0.0033162200000000, -0.0000516200000000, 0.0016809900000000 ] - [ 0.0033162200000000, 0.0000516200000000, 0.0016809900000000 ] - [ 0.0034135400000000, 0.0000000000000000, 0.0016823000000000 ] - [ 0.0024927300000000, 0.0000065700000000, 0.0001238900000000 ] - [ 0.0024927300000000, -0.0000065700000000, 0.0001238900000000 ] - [ 0.0025056300000000, 0.0000000000000000, 0.0001261000000000 ] - [ -0.0023145800000000, 0.0006646000000000, 0.0014350100000000 ] - [ -0.0023145800000000, -0.0006646000000000, 0.0014350100000000 ] - [ -0.0032966000000000, 0.0000000000000000, -0.0011776100000000 ] - [ -0.0072381800000000, 0.0000398100000000, 0.0010642700000000 ] - [ -0.0072381800000000, -0.0000398100000000, 0.0010642700000000 ] - [ -0.0069837900000000, 0.0000000000000000, 0.0012797700000000 ] - [ 0.0049803100000000, 0.0015837800000000, -0.0006422000000000 ] - [ 0.0049803100000000, -0.0015837800000000, -0.0006422000000000 ] - [ 0.0077734100000000, 0.0000000000000000, -0.0012904100000000 ] - [ -0.0122806500000000, 0.0000000000000000, 0.0413179500000000 ] - [ 0.0014262100000000, 0.0007888000000000, 0.0004185600000000 ] - [ 0.0014262100000000, -0.0007888000000000, 0.0004185600000000 ] - [ -0.0022781300000000, 0.0000000000000000, -0.0000426300000000 ] - [ -0.0022960100000000, 0.0000826400000000, 0.0000307700000000 ] - [ -0.0022960100000000, -0.0000826400000000, 0.0000307700000000 ] - [ -0.0078333600000000, 0.0000000000000000, 0.0016065100000000 ] - [ -0.0081937900000000, 0.0003214400000000, 0.0019900600000000 ] - [ -0.0081937900000000, -0.0003214400000000, 0.0019900600000000 ] - [ 0.0074442500000000, 0.0000000000000000, -0.0012730800000000 ] - [ 0.0074805700000000, 0.0000273600000000, -0.0012474000000000 ] - [ 0.0074805700000000, -0.0000273600000000, -0.0012474000000000 ] - [ 0.0066998200000000, 0.0000000000000000, -0.0007072700000000 ] - [ 0.0073031200000000, 0.0005593600000000, -0.0002621200000000 ] - [ 0.0073031200000000, -0.0005593600000000, -0.0002621200000000 ] - [ 0.0264595100000000, 0.0000000000000000, -0.0605407800000000 ] - [ -0.0035878800000000, -0.0001408100000000, -0.0066888000000000 ] - [ -0.0035878800000000, 0.0001408100000000, -0.0066888000000000 ] - [ -0.0024954700000000, 0.0000000000000000, 0.0016905300000000 ] - [ -0.0025561400000000, -0.0000655900000000, 0.0017055100000000 ] - [ -0.0025561400000000, 0.0000655900000000, 0.0017055100000000 ] - [ -0.0081404900000000, 0.0000000000000000, 0.0059047200000000 ] - [ -0.0081267100000000, 0.0000224700000000, 0.0058595900000000 ] - [ -0.0081267100000000, -0.0000224700000000, 0.0058595900000000 ] - [ 0.0077950900000000, 0.0000000000000000, -0.0063996100000000 ] - [ 0.0068633600000000, 0.0023936100000000, -0.0072147300000000 ] - [ 0.0068633600000000, -0.0023936100000000, -0.0072147300000000 ] - [ 0.0037875900000000, 0.0000000000000000, 0.0064655100000000 ] - [ 0.0037278100000000, 0.0000561100000000, 0.0064184700000000 ] - [ 0.0037278100000000, -0.0000561100000000, 0.0064184700000000 ] - [ -0.0070540000000000, 0.0000000000000000, 0.0004920300000000 ] - [ -0.0072913600000000, -0.0000583900000000, 0.0006398000000000 ] - [ -0.0072913600000000, 0.0000583900000000, 0.0006398000000000 ] - [ 0.0010700000000000, 0.0000000000000000, -0.0006711500000000 ] - [ 0.0023008500000000, -0.0005348600000000, -0.0008571000000000 ] - [ 0.0023008500000000, 0.0005348600000000, -0.0008571000000000 ] - [ 0.0068648800000000, -0.0000127500000000, -0.0006753300000000 ] - [ 0.0068648800000000, 0.0000127500000000, -0.0006753300000000 ] - [ 0.0068558000000000, 0.0000000000000000, -0.0005871500000000 ] - [ -0.0040438700000000, 0.0000168600000000, -0.0065550700000000 ] - [ -0.0040438700000000, -0.0000168600000000, -0.0065550700000000 ] - [ -0.0040963300000000, 0.0000000000000000, -0.0065547800000000 ] - [ -0.0040400500000000, 0.0026430100000000, 0.0043642600000000 ] - [ -0.0040400500000000, -0.0026430100000000, 0.0043642600000000 ] - [ -0.0025145800000000, 0.0000000000000000, 0.0018074200000000 ] - [ -0.0105661400000000, 0.0030714200000000, 0.0074133900000000 ] - [ -0.0105661400000000, -0.0030714200000000, 0.0074133900000000 ] - [ -0.0080794900000000, 0.0000000000000000, 0.0059422900000000 ] - [ 0.0079898200000000, 0.0000345100000000, -0.0059255300000000 ] - [ 0.0079898200000000, -0.0000345100000000, -0.0059255300000000 ] - [ 0.0080181100000000, 0.0000000000000000, -0.0059886700000000 ] - [ 0.0053216800000000, 0.0010246000000000, 0.0070035100000000 ] - [ 0.0053216800000000, -0.0010246000000000, 0.0070035100000000 ] - [ 0.0043979000000000, 0.0000000000000000, 0.0067605700000000 ] - [ -0.0067928000000000, 0.0000012100000000, 0.0004991500000000 ] - [ -0.0067928000000000, -0.0000012100000000, 0.0004991500000000 ] - [ -0.0067991800000000, 0.0000000000000000, 0.0001444200000000 ] - [ 0.0024453200000000, 0.0000252300000000, -0.0016978500000000 ] - [ 0.0024453200000000, -0.0000252300000000, -0.0016978500000000 ] - [ 0.0025294400000000, 0.0000000000000000, -0.0015796500000000 ] - [ 0.0000856300000000, 0.0000464000000000, -0.0021106100000000 ] - [ 0.0000856300000000, -0.0000464000000000, -0.0021106100000000 ] - [ 0.0001655400000000, 0.0000000000000000, -0.0020198700000000 ] - [ -0.0006423900000000, -0.0008381200000000, 0.0034521700000000 ] - [ -0.0006423900000000, 0.0008381200000000, 0.0034521700000000 ] - [ -0.0004179600000000, 0.0000000000000000, 0.0022200100000000 ] - [ 0.0001636200000000, 0.0000000000000000, -0.0018348400000000 ] - [ 0.0003798900000000, -0.0001241500000000, -0.0019969500000000 ] - [ 0.0003798900000000, 0.0001241500000000, -0.0019969500000000 ] - [ -0.0001722100000000, 0.0000000000000000, 0.0019909500000000 ] - [ -0.0001434000000000, -0.0001109600000000, 0.0019395700000000 ] - [ -0.0001434000000000, 0.0001109600000000, 0.0019395700000000 ]- atom: 40 displacement: [ 0.0048805429774377, 0.0000000000000000, -0.0087281326894922 ] forces: - [ -0.0032822300000000, 0.0000000000000000, -0.0016507500000000 ] - [ -0.0032376300000000, -0.0001248800000000, -0.0014111400000000 ] - [ -0.0032376300000000, 0.0001248800000000, -0.0014111400000000 ] - [ 0.0020588900000000, 0.0000000000000000, 0.0025702300000000 ] - [ 0.0017443300000000, -0.0010607700000000, 0.0022233100000000 ] - [ 0.0017443300000000, 0.0010607700000000, 0.0022233100000000 ] - [ -0.0026678900000000, -0.0004874500000000, -0.0008089000000000 ] - [ -0.0026678900000000, 0.0004874500000000, -0.0008089000000000 ] - [ -0.0029572300000000, 0.0000000000000000, -0.0016287200000000 ] - [ 0.0031613200000000, 0.0000517300000000, 0.0016027900000000 ] - [ 0.0031613200000000, -0.0000517300000000, 0.0016027900000000 ] - [ 0.0030637100000000, 0.0000000000000000, 0.0016054100000000 ] - [ 0.0022172200000000, -0.0000066600000000, 0.0001127000000000 ] - [ 0.0022172200000000, 0.0000066600000000, 0.0001127000000000 ] - [ 0.0022039800000000, 0.0000000000000000, 0.0001096900000000 ] - [ -0.0023645700000000, -0.0006448900000000, -0.0016948200000000 ] - [ -0.0023645700000000, 0.0006448900000000, -0.0016948200000000 ] - [ -0.0014119300000000, 0.0000000000000000, 0.0009478600000000 ] - [ -0.0077398300000000, -0.0000393100000000, 0.0014866000000000 ] - [ -0.0077398300000000, 0.0000393100000000, 0.0014866000000000 ] - [ -0.0079954800000000, 0.0000000000000000, 0.0012747900000000 ] - [ 0.0099864400000000, -0.0015665700000000, -0.0019392800000000 ] - [ 0.0099864400000000, 0.0015665700000000, -0.0019392800000000 ] - [ 0.0071780800000000, 0.0000000000000000, -0.0012690400000000 ] - [ 0.0176323300000000, 0.0000000000000000, -0.0430944500000000 ] - [ 0.0032913100000000, -0.0007947600000000, -0.0001892500000000 ] - [ 0.0032913100000000, 0.0007947600000000, -0.0001892500000000 ] - [ -0.0024313300000000, 0.0000000000000000, -0.0001948800000000 ] - [ -0.0024113700000000, -0.0000846200000000, -0.0002685000000000 ] - [ -0.0024113700000000, 0.0000846200000000, -0.0002685000000000 ] - [ -0.0071380000000000, 0.0000000000000000, 0.0009456800000000 ] - [ -0.0067741400000000, -0.0003237900000000, 0.0005648200000000 ] - [ -0.0067741400000000, 0.0003237900000000, 0.0005648200000000 ] - [ 0.0075303700000000, 0.0000000000000000, -0.0012791500000000 ] - [ 0.0074924200000000, -0.0000288500000000, -0.0013075500000000 ] - [ 0.0074924200000000, 0.0000288500000000, -0.0013075500000000 ] - [ 0.0069923600000000, 0.0000000000000000, -0.0004452200000000 ] - [ 0.0063653800000000, -0.0005875000000000, -0.0008919000000000 ] - [ 0.0063653800000000, 0.0005875000000000, -0.0008919000000000 ] - [ -0.0351026400000000, 0.0000000000000000, 0.0496693300000000 ] - [ -0.0043461800000000, 0.0001398500000000, -0.0063305500000000 ] - [ -0.0043461800000000, -0.0001398500000000, -0.0063305500000000 ] - [ -0.0023971000000000, 0.0000000000000000, 0.0017060900000000 ] - [ -0.0023363700000000, 0.0000660200000000, 0.0016904500000000 ] - [ -0.0023363700000000, -0.0000660200000000, 0.0016904500000000 ] - [ -0.0081345400000000, 0.0000000000000000, 0.0059173500000000 ] - [ -0.0081489900000000, -0.0000227100000000, 0.0059634500000000 ] - [ -0.0081489900000000, 0.0000227100000000, 0.0059634500000000 ] - [ 0.0084776500000000, 0.0000000000000000, -0.0054240000000000 ] - [ 0.0094142100000000, -0.0024013200000000, -0.0046056300000000 ] - [ 0.0094142100000000, 0.0024013200000000, -0.0046056300000000 ] - [ 0.0041504800000000, 0.0000000000000000, 0.0065578500000000 ] - [ 0.0042121000000000, -0.0000560100000000, 0.0066054300000000 ] - [ 0.0042121000000000, 0.0000560100000000, 0.0066054300000000 ] - [ -0.0066322400000000, 0.0000000000000000, 0.0006593300000000 ] - [ -0.0063966500000000, 0.0000613500000000, 0.0005152000000000 ] - [ -0.0063966500000000, -0.0000613500000000, 0.0005152000000000 ] - [ 0.0037958400000000, 0.0000000000000000, -0.0027155300000000 ] - [ 0.0025929700000000, 0.0005376100000000, -0.0025506400000000 ] - [ 0.0025929700000000, -0.0005376100000000, -0.0025506400000000 ] - [ 0.0068254400000000, 0.0000119200000000, -0.0004764600000000 ] - [ 0.0068254400000000, -0.0000119200000000, -0.0004764600000000 ] - [ 0.0068357400000000, 0.0000000000000000, -0.0005640800000000 ] - [ -0.0038940600000000, -0.0000175200000000, -0.0064673800000000 ] - [ -0.0038940600000000, 0.0000175200000000, -0.0064673800000000 ] - [ -0.0038409700000000, 0.0000000000000000, -0.0064679500000000 ] - [ -0.0008387200000000, -0.0026677400000000, -0.0009873800000000 ] - [ -0.0008387200000000, 0.0026677400000000, -0.0009873800000000 ] - [ -0.0023751400000000, 0.0000000000000000, 0.0015894600000000 ] - [ -0.0056679000000000, -0.0031160500000000, 0.0043850900000000 ] - [ -0.0056679000000000, 0.0031160500000000, 0.0043850900000000 ] - [ -0.0081950400000000, 0.0000000000000000, 0.0058809100000000 ] - [ 0.0082862500000000, -0.0000348300000000, -0.0058960500000000 ] - [ 0.0082862500000000, 0.0000348300000000, -0.0058960500000000 ] - [ 0.0082573100000000, 0.0000000000000000, -0.0058317900000000 ] - [ 0.0026091600000000, -0.0010310200000000, 0.0060147800000000 ] - [ 0.0026091600000000, 0.0010310200000000, 0.0060147800000000 ] - [ 0.0035384700000000, 0.0000000000000000, 0.0062595100000000 ] - [ -0.0068995300000000, 0.0000006300000000, 0.0006513200000000 ] - [ -0.0068995300000000, -0.0000006300000000, 0.0006513200000000 ] - [ -0.0068931500000000, 0.0000000000000000, 0.0010023900000000 ] - [ 0.0024436400000000, -0.0000259100000000, -0.0017006700000000 ] - [ 0.0024436400000000, 0.0000259100000000, -0.0017006700000000 ] - [ 0.0023563000000000, 0.0000000000000000, -0.0018218900000000 ] - [ 0.0003058200000000, -0.0000472400000000, -0.0020042500000000 ] - [ 0.0003058200000000, 0.0000472400000000, -0.0020042500000000 ] - [ 0.0002299600000000, 0.0000000000000000, -0.0020910200000000 ] - [ 0.0002450000000000, 0.0008196400000000, 0.0006845300000000 ] - [ 0.0002450000000000, -0.0008196400000000, 0.0006845300000000 ] - [ 0.0000241700000000, 0.0000000000000000, 0.0018885400000000 ] - [ 0.0002235600000000, 0.0000000000000000, -0.0022763000000000 ] - [ 0.0000129900000000, 0.0001247300000000, -0.0021124900000000 ] - [ 0.0000129900000000, -0.0001247300000000, -0.0021124900000000 ] - [ -0.0002227900000000, 0.0000000000000000, 0.0021175600000000 ] - [ -0.0002518500000000, 0.0001120600000000, 0.0021687800000000 ] - [ -0.0002518500000000, -0.0001120600000000, 0.0021687800000000 ]- atom: 43 displacement: [ 0.0099998524231531, 0.0000000000000000, 0.0000543278488306 ] forces: - [ 0.0078023800000000, 0.0000000000000000, 0.0155915100000000 ] - [ -0.0023774200000000, 0.0006156700000000, -0.0025674800000000 ] - [ -0.0023774200000000, -0.0006156700000000, -0.0025674800000000 ] - [ 0.0028838100000000, 0.0000000000000000, 0.0016040200000000 ] - [ 0.0029154800000000, 0.0000553000000000, 0.0015405100000000 ] - [ 0.0029154800000000, -0.0000553000000000, 0.0015405100000000 ] - [ -0.0034175800000000, 0.0001093500000000, -0.0015957000000000 ] - [ -0.0034175800000000, -0.0001093500000000, -0.0015957000000000 ] - [ -0.0031501900000000, 0.0000000000000000, -0.0014989600000000 ] - [ 0.0125544200000000, -0.0074001100000000, -0.0027446800000000 ] - [ 0.0125544200000000, 0.0074001100000000, -0.0027446800000000 ] - [ 0.0042034800000000, 0.0000000000000000, 0.0013525000000000 ] - [ 0.0033543100000000, -0.0003424100000000, 0.0021388300000000 ] - [ 0.0033543100000000, 0.0003424100000000, 0.0021388300000000 ] - [ 0.0022630000000000, 0.0000000000000000, 0.0003522700000000 ] - [ -0.0027118900000000, -0.0000116800000000, -0.0004486100000000 ] - [ -0.0027118900000000, 0.0000116800000000, -0.0004486100000000 ] - [ -0.0029184300000000, 0.0000000000000000, -0.0004796100000000 ] - [ -0.0082251200000000, -0.0000926500000000, 0.0017469700000000 ] - [ -0.0082251200000000, 0.0000926500000000, 0.0017469700000000 ] - [ -0.0078634000000000, 0.0000000000000000, 0.0011755600000000 ] - [ 0.0068246200000000, -0.0000486700000000, -0.0025376200000000 ] - [ 0.0068246200000000, 0.0000486700000000, -0.0025376200000000 ] - [ 0.0070177600000000, 0.0000000000000000, -0.0016842000000000 ] - [ 0.0019779300000000, 0.0000000000000000, -0.0000357300000000 ] - [ 0.0018048600000000, 0.0001301100000000, 0.0000223900000000 ] - [ 0.0018048600000000, -0.0001301100000000, 0.0000223900000000 ] - [ -0.0029828000000000, 0.0000000000000000, 0.0007180000000000 ] - [ -0.0025810300000000, 0.0000072300000000, 0.0000481000000000 ] - [ -0.0025810300000000, -0.0000072300000000, 0.0000481000000000 ] - [ -0.0088704300000000, 0.0000000000000000, 0.0006091400000000 ] - [ -0.0085517300000000, -0.0015068600000000, 0.0017312600000000 ] - [ -0.0085517300000000, 0.0015068600000000, 0.0017312600000000 ] - [ 0.0077434700000000, 0.0000000000000000, -0.0008065900000000 ] - [ 0.0078642100000000, 0.0000133500000000, -0.0007733200000000 ] - [ 0.0078642100000000, -0.0000133500000000, -0.0007733200000000 ] - [ 0.0062542100000000, 0.0000000000000000, -0.0011393400000000 ] - [ 0.0069631400000000, -0.0000511100000000, -0.0001601900000000 ] - [ 0.0069631400000000, 0.0000511100000000, -0.0001601900000000 ] - [ -0.0036011300000000, 0.0000000000000000, -0.0063620700000000 ] - [ -0.0033861200000000, -0.0001227800000000, -0.0063114500000000 ] - [ -0.0033861200000000, 0.0001227800000000, -0.0063114500000000 ] - [ -0.0486237900000000, 0.0000000000000000, -0.0071820500000000 ] - [ -0.0029899800000000, -0.0007836800000000, 0.0015041500000000 ] - [ -0.0029899800000000, 0.0007836800000000, 0.0015041500000000 ] - [ -0.0090659200000000, 0.0000000000000000, 0.0075366700000000 ] - [ -0.0085677500000000, -0.0005238900000000, 0.0054511500000000 ] - [ -0.0085677500000000, 0.0005238900000000, 0.0054511500000000 ] - [ 0.0083683700000000, 0.0000000000000000, -0.0055686100000000 ] - [ 0.0086634600000000, 0.0004752000000000, -0.0056860200000000 ] - [ 0.0086634600000000, -0.0004752000000000, -0.0056860200000000 ] - [ 0.0044454400000000, 0.0000000000000000, 0.0052398800000000 ] - [ 0.0042717100000000, -0.0001734500000000, 0.0065205600000000 ] - [ 0.0042717100000000, 0.0001734500000000, 0.0065205600000000 ] - [ -0.0066604200000000, 0.0000000000000000, 0.0004907000000000 ] - [ -0.0066405200000000, -0.0000379700000000, 0.0006097000000000 ] - [ -0.0066405200000000, 0.0000379700000000, 0.0006097000000000 ] - [ 0.0025794600000000, 0.0000000000000000, -0.0015986500000000 ] - [ 0.0024854900000000, 0.0000510200000000, -0.0015446600000000 ] - [ 0.0024854900000000, -0.0000510200000000, -0.0015446600000000 ] - [ 0.0067542400000000, -0.0001081600000000, -0.0006130100000000 ] - [ 0.0067542400000000, 0.0001081600000000, -0.0006130100000000 ] - [ 0.0065882100000000, 0.0000000000000000, -0.0007896200000000 ] - [ -0.0035314900000000, 0.0000156000000000, -0.0080853000000000 ] - [ -0.0035314900000000, -0.0000156000000000, -0.0080853000000000 ] - [ -0.0041399300000000, 0.0000000000000000, -0.0066868000000000 ] - [ -0.0022783200000000, -0.0000067800000000, 0.0018261400000000 ] - [ -0.0022783200000000, 0.0000067800000000, 0.0018261400000000 ] - [ -0.0023611200000000, 0.0000000000000000, 0.0017982400000000 ] - [ -0.0080228400000000, 0.0000819300000000, 0.0063001800000000 ] - [ -0.0080228400000000, -0.0000819300000000, 0.0063001800000000 ] - [ -0.0079859900000000, 0.0000000000000000, 0.0061041600000000 ] - [ 0.0084473100000000, 0.0001246700000000, -0.0064393200000000 ] - [ 0.0084473100000000, -0.0001246700000000, -0.0064393200000000 ] - [ 0.0081781700000000, 0.0000000000000000, -0.0058659100000000 ] - [ 0.0044207400000000, -0.0001509000000000, 0.0067647500000000 ] - [ 0.0044207400000000, 0.0001509000000000, 0.0067647500000000 ] - [ 0.0046946300000000, 0.0000000000000000, 0.0070176600000000 ] - [ -0.0025716900000000, -0.0028579800000000, 0.0017003900000000 ] - [ -0.0025716900000000, 0.0028579800000000, 0.0017003900000000 ] - [ -0.0072630100000000, 0.0000000000000000, 0.0005061600000000 ] - [ 0.0011747600000000, -0.0008471400000000, -0.0028734900000000 ] - [ 0.0011747600000000, 0.0008471400000000, -0.0028734900000000 ] - [ 0.0024397800000000, 0.0000000000000000, -0.0014336300000000 ] - [ 0.0038823000000000, 0.0039741700000000, -0.0005545700000000 ] - [ 0.0038823000000000, -0.0039741700000000, -0.0005545700000000 ] - [ 0.0000605000000000, 0.0000000000000000, -0.0018901700000000 ] - [ 0.0000489500000000, -0.0000390500000000, 0.0019730100000000 ] - [ 0.0000489500000000, 0.0000390500000000, 0.0019730100000000 ] - [ -0.0000895000000000, 0.0000000000000000, 0.0021169200000000 ] - [ 0.0006977700000000, 0.0000000000000000, -0.0019305400000000 ] - [ 0.0002937300000000, 0.0000527000000000, -0.0021977000000000 ] - [ 0.0002937300000000, -0.0000527000000000, -0.0021977000000000 ] - [ 0.0034847500000000, 0.0000000000000000, -0.0001424100000000 ] - [ 0.0000762300000000, 0.0004315600000000, 0.0016957800000000 ] - [ 0.0000762300000000, -0.0004315600000000, 0.0016957800000000 ]- atom: 43 displacement: [ -0.0099998524231531, 0.0000000000000000, -0.0000543278488306 ] forces: - [ -0.0143323100000000, 0.0000000000000000, -0.0192996800000000 ] - [ -0.0041117700000000, -0.0006173100000000, -0.0007161900000000 ] - [ -0.0041117700000000, 0.0006173100000000, -0.0007161900000000 ] - [ 0.0035909900000000, 0.0000000000000000, 0.0016771000000000 ] - [ 0.0035573200000000, -0.0000559500000000, 0.0017408900000000 ] - [ 0.0035573200000000, 0.0000559500000000, 0.0017408900000000 ] - [ -0.0030586500000000, -0.0001075000000000, -0.0016844500000000 ] - [ -0.0030586500000000, 0.0001075000000000, -0.0016844500000000 ] - [ -0.0033243800000000, 0.0000000000000000, -0.0017821600000000 ] - [ -0.0058921900000000, 0.0070657000000000, 0.0058542600000000 ] - [ -0.0058921900000000, -0.0070657000000000, 0.0058542600000000 ] - [ 0.0022836000000000, 0.0000000000000000, 0.0019272600000000 ] - [ 0.0013424800000000, 0.0003208800000000, -0.0018970900000000 ] - [ 0.0013424800000000, -0.0003208800000000, -0.0018970900000000 ] - [ 0.0024468700000000, 0.0000000000000000, -0.0001099600000000 ] - [ -0.0019995700000000, 0.0000111000000000, 0.0002127100000000 ] - [ -0.0019995700000000, -0.0000111000000000, 0.0002127100000000 ] - [ -0.0017932400000000, 0.0000000000000000, 0.0002431400000000 ] - [ -0.0067469100000000, 0.0000945800000000, 0.0008017800000000 ] - [ -0.0067469100000000, -0.0000945800000000, 0.0008017800000000 ] - [ -0.0071089100000000, 0.0000000000000000, 0.0013742400000000 ] - [ 0.0081479400000000, 0.0000491400000000, -0.0000098000000000 ] - [ 0.0081479400000000, -0.0000491400000000, -0.0000098000000000 ] - [ 0.0079521400000000, 0.0000000000000000, -0.0008686000000000 ] - [ 0.0027336400000000, 0.0000000000000000, 0.0002714100000000 ] - [ 0.0029046000000000, -0.0001302600000000, 0.0002131400000000 ] - [ 0.0029046000000000, 0.0001302600000000, 0.0002131400000000 ] - [ -0.0017290900000000, 0.0000000000000000, -0.0009652100000000 ] - [ -0.0021288800000000, -0.0000049600000000, -0.0002922900000000 ] - [ -0.0021288800000000, 0.0000049600000000, -0.0002922900000000 ] - [ -0.0061012400000000, 0.0000000000000000, 0.0019388000000000 ] - [ -0.0064211300000000, 0.0015004500000000, 0.0008273300000000 ] - [ -0.0064211300000000, -0.0015004500000000, 0.0008273300000000 ] - [ 0.0072224600000000, 0.0000000000000000, -0.0017346000000000 ] - [ 0.0071123400000000, -0.0000141100000000, -0.0017790500000000 ] - [ 0.0071123400000000, 0.0000141100000000, -0.0017790500000000 ] - [ 0.0074360200000000, 0.0000000000000000, -0.0000165600000000 ] - [ 0.0067295400000000, 0.0000514900000000, -0.0009894500000000 ] - [ 0.0067295400000000, -0.0000514900000000, -0.0009894500000000 ] - [ -0.0043366200000000, 0.0000000000000000, -0.0066602000000000 ] - [ -0.0045497100000000, 0.0001227200000000, -0.0067100400000000 ] - [ -0.0045497100000000, -0.0001227200000000, -0.0067100400000000 ] - [ 0.0434549400000000, 0.0000000000000000, 0.0112874600000000 ] - [ -0.0019013800000000, 0.0007643300000000, 0.0018946100000000 ] - [ -0.0019013800000000, -0.0007643300000000, 0.0018946100000000 ] - [ -0.0072054600000000, 0.0000000000000000, 0.0042771000000000 ] - [ -0.0077070100000000, 0.0005257400000000, 0.0063732900000000 ] - [ -0.0077070100000000, -0.0005257400000000, 0.0063732900000000 ] - [ 0.0079086800000000, 0.0000000000000000, -0.0062519300000000 ] - [ 0.0076150100000000, -0.0004729900000000, -0.0061359600000000 ] - [ 0.0076150100000000, 0.0004729900000000, -0.0061359600000000 ] - [ 0.0034750700000000, 0.0000000000000000, 0.0078072600000000 ] - [ 0.0036638600000000, 0.0001746400000000, 0.0065044700000000 ] - [ 0.0036638600000000, -0.0001746400000000, 0.0065044700000000 ] - [ -0.0070300800000000, 0.0000000000000000, 0.0006600500000000 ] - [ -0.0070496000000000, 0.0000376600000000, 0.0005403400000000 ] - [ -0.0070496000000000, -0.0000376600000000, 0.0005403400000000 ] - [ 0.0023114600000000, 0.0000000000000000, -0.0017979000000000 ] - [ 0.0024051100000000, -0.0000510900000000, -0.0018507200000000 ] - [ 0.0024051100000000, 0.0000510900000000, -0.0018507200000000 ] - [ 0.0069347900000000, 0.0001076700000000, -0.0005398300000000 ] - [ 0.0069347900000000, -0.0001076700000000, -0.0005398300000000 ] - [ 0.0071009200000000, 0.0000000000000000, -0.0003595500000000 ] - [ -0.0044075100000000, -0.0000137200000000, -0.0049407500000000 ] - [ -0.0044075100000000, 0.0000137200000000, -0.0049407500000000 ] - [ -0.0037986500000000, 0.0000000000000000, -0.0063377600000000 ] - [ -0.0026123200000000, 0.0000065100000000, 0.0015693300000000 ] - [ -0.0026123200000000, -0.0000065100000000, 0.0015693300000000 ] - [ -0.0025292500000000, 0.0000000000000000, 0.0015972300000000 ] - [ -0.0082540700000000, -0.0000823400000000, 0.0055206100000000 ] - [ -0.0082540700000000, 0.0000823400000000, 0.0055206100000000 ] - [ -0.0082895700000000, 0.0000000000000000, 0.0057188300000000 ] - [ 0.0078272300000000, -0.0001270100000000, -0.0053786300000000 ] - [ 0.0078272300000000, 0.0001270100000000, -0.0053786300000000 ] - [ 0.0080993600000000, 0.0000000000000000, -0.0059541500000000 ] - [ 0.0035173400000000, 0.0001499900000000, 0.0062576000000000 ] - [ 0.0035173400000000, -0.0001499900000000, 0.0062576000000000 ] - [ 0.0032452600000000, 0.0000000000000000, 0.0060072200000000 ] - [ -0.0110820700000000, 0.0028284600000000, -0.0005229500000000 ] - [ -0.0110820700000000, -0.0028284600000000, -0.0005229500000000 ] - [ -0.0064313700000000, 0.0000000000000000, 0.0006418700000000 ] - [ 0.0037000600000000, 0.0008653400000000, -0.0004973800000000 ] - [ 0.0037000600000000, -0.0008653400000000, -0.0004973800000000 ] - [ 0.0024523300000000, 0.0000000000000000, -0.0019577100000000 ] - [ -0.0035355000000000, -0.0040209200000000, -0.0035701500000000 ] - [ -0.0035355000000000, 0.0040209200000000, -0.0035701500000000 ] - [ 0.0003342700000000, 0.0000000000000000, -0.0022179400000000 ] - [ -0.0004401000000000, 0.0000392200000000, 0.0021375300000000 ] - [ -0.0004401000000000, -0.0000392200000000, 0.0021375300000000 ] - [ -0.0003013900000000, 0.0000000000000000, 0.0019934200000000 ] - [ -0.0003042000000000, 0.0000000000000000, -0.0021772400000000 ] - [ 0.0000964500000000, -0.0000524600000000, -0.0019129100000000 ] - [ 0.0000964500000000, 0.0000524600000000, -0.0019129100000000 ] - [ -0.0037952900000000, 0.0000000000000000, 0.0041990500000000 ] - [ -0.0004741600000000, -0.0004392100000000, 0.0024146000000000 ] - [ -0.0004741600000000, 0.0004392100000000, 0.0024146000000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0032061300000000, 0.0034459900000000, -0.0015913900000000 ] - [ -0.0024790600000000, -0.0019487900000000, -0.0011900200000000 ] - [ -0.0039958700000000, -0.0019606200000000, -0.0020837600000000 ] - [ 0.0032380300000000, 0.0001929400000000, 0.0016406800000000 ] - [ 0.0033087800000000, -0.0000887400000000, 0.0015865400000000 ] - [ 0.0031667500000000, -0.0000888500000000, 0.0016957800000000 ] - [ -0.0032112200000000, 0.0000465500000000, -0.0016809200000000 ] - [ -0.0032653900000000, 0.0000461400000000, -0.0016016200000000 ] - [ -0.0032383000000000, -0.0000999800000000, -0.0016410500000000 ] - [ -0.0020089400000000, 0.0094633700000000, 0.0063639800000000 ] - [ 0.0089305600000000, 0.0099062900000000, -0.0033299800000000 ] - [ 0.0032264200000000, -0.0026144400000000, 0.0016467100000000 ] - [ 0.0028957900000000, 0.0002214800000000, 0.0017744500000000 ] - [ 0.0017956000000000, 0.0002638400000000, -0.0015036100000000 ] - [ 0.0023562600000000, -0.0015536600000000, 0.0001119000000000 ] - [ -0.0022793800000000, 0.0001702300000000, -0.0000283000000000 ] - [ -0.0024321700000000, 0.0001701500000000, -0.0002060500000000 ] - [ -0.0023555900000000, -0.0006111800000000, -0.0001164400000000 ] - [ -0.0078209300000000, 0.0003009400000000, 0.0011771800000000 ] - [ -0.0071552900000000, 0.0003065400000000, 0.0013748500000000 ] - [ -0.0074825900000000, -0.0007130000000000, 0.0012769900000000 ] - [ 0.0071555400000000, 0.0002159000000000, -0.0021329000000000 ] - [ 0.0078133400000000, 0.0002164200000000, -0.0004195200000000 ] - [ 0.0074850000000000, -0.0004842500000000, -0.0012751300000000 ] - [ 0.0023554000000000, 0.0001340000000000, 0.0001170900000000 ] - [ 0.0024551500000000, -0.0000767200000000, 0.0001159300000000 ] - [ 0.0022568900000000, -0.0000763700000000, 0.0001190400000000 ] - [ -0.0023499600000000, 0.0028963500000000, -0.0001120800000000 ] - [ -0.0026369500000000, -0.0020129200000000, 0.0012525300000000 ] - [ -0.0020690300000000, -0.0020127500000000, -0.0014885200000000 ] - [ -0.0074847800000000, 0.0016749500000000, 0.0012777000000000 ] - [ -0.0083257700000000, -0.0012431100000000, 0.0013002000000000 ] - [ -0.0066440000000000, -0.0012477400000000, 0.0012518900000000 ] - [ 0.0074833800000000, 0.0011352200000000, -0.0012806600000000 ] - [ 0.0069256200000000, -0.0004510300000000, -0.0013373900000000 ] - [ 0.0080441400000000, -0.0004464100000000, -0.0012169800000000 ] - [ 0.0068417800000000, -0.0003419800000000, -0.0005806600000000 ] - [ 0.0065134900000000, 0.0002850400000000, -0.0007086100000000 ] - [ 0.0071799900000000, 0.0002869200000000, -0.0004404100000000 ] - [ -0.0039688600000000, -0.0000872700000000, -0.0065107200000000 ] - [ -0.0041128000000000, 0.0001617400000000, -0.0065160100000000 ] - [ -0.0038245600000000, 0.0001623400000000, -0.0065053500000000 ] - [ -0.0028683400000000, -0.0444026800000000, 0.0018699600000000 ] - [ -0.0016680200000000, 0.0048339700000000, 0.0013602500000000 ] - [ -0.0032200200000000, 0.0047636700000000, 0.0020342100000000 ] - [ -0.0081388400000000, -0.0004405700000000, 0.0059058500000000 ] - [ -0.0077919600000000, 0.0007394700000000, 0.0059239900000000 ] - [ -0.0084767600000000, 0.0007379200000000, 0.0058970400000000 ] - [ 0.0081387200000000, -0.0004443000000000, -0.0059113000000000 ] - [ 0.0085708200000000, 0.0004695500000000, -0.0056344600000000 ] - [ 0.0077050000000000, 0.0004697900000000, -0.0061872000000000 ] - [ 0.0039726400000000, -0.0000601000000000, 0.0065007200000000 ] - [ 0.0037946100000000, 0.0004905500000000, 0.0057993000000000 ] - [ 0.0041348900000000, 0.0004863100000000, 0.0072179900000000 ] - [ -0.0068453200000000, -0.0002291100000000, 0.0005749700000000 ] - [ -0.0067882500000000, 0.0001434000000000, 0.0005577500000000 ] - [ -0.0069035400000000, 0.0001464800000000, 0.0005916600000000 ] - [ 0.0024458500000000, -0.0000839000000000, -0.0016982700000000 ] - [ 0.0024964900000000, 0.0000840400000000, -0.0016559100000000 ] - [ 0.0023951000000000, 0.0000843500000000, -0.0017411200000000 ] - [ 0.0069268600000000, -0.0001211800000000, -0.0005275900000000 ] - [ 0.0067651300000000, -0.0001203900000000, -0.0006223900000000 ] - [ 0.0068458500000000, 0.0002279000000000, -0.0005752900000000 ] - [ -0.0031201900000000, -0.0001081700000000, -0.0090600500000000 ] - [ -0.0048266500000000, -0.0001100200000000, -0.0039293500000000 ] - [ -0.0039700400000000, 0.0003094700000000, -0.0065089500000000 ] - [ -0.0024386000000000, -0.0000648100000000, 0.0016714600000000 ] - [ -0.0024524600000000, -0.0000646400000000, 0.0017252700000000 ] - [ -0.0024455100000000, 0.0000866200000000, 0.0016984600000000 ] - [ -0.0081396200000000, -0.0000413100000000, 0.0061475300000000 ] - [ -0.0081359100000000, -0.0000417200000000, 0.0056733500000000 ] - [ -0.0081381100000000, 0.0000511100000000, 0.0059105300000000 ] - [ 0.0075286800000000, -0.0000638200000000, -0.0055568400000000 ] - [ 0.0087482400000000, -0.0000649200000000, -0.0062670700000000 ] - [ 0.0081374400000000, 0.0006306100000000, -0.0059107600000000 ] - [ 0.0039709300000000, -0.0001092300000000, 0.0065413000000000 ] - [ 0.0039668600000000, -0.0001098700000000, 0.0064800400000000 ] - [ 0.0039677300000000, 0.0003415700000000, 0.0065097500000000 ] - [ -0.0104193100000000, 0.0015777700000000, -0.0003341000000000 ] - [ -0.0032610000000000, 0.0015768700000000, 0.0015034800000000 ] - [ -0.0068429700000000, 0.0005445600000000, 0.0005753900000000 ] - [ 0.0015504200000000, 0.0040947100000000, 0.0050991400000000 ] - [ 0.0033370700000000, 0.0040756800000000, -0.0085327700000000 ] - [ 0.0024461300000000, 0.0010485200000000, -0.0017014800000000 ] - [ 0.0032062300000000, 0.0018366600000000, -0.0007997400000000 ] - [ -0.0028293700000000, 0.0018233800000000, -0.0033192100000000 ] - [ 0.0001951900000000, 0.0005602500000000, -0.0020557100000000 ] - [ 0.0000712500000000, -0.0000674800000000, 0.0021235000000000 ] - [ -0.0004619700000000, -0.0000675300000000, 0.0019850100000000 ] - [ -0.0001957600000000, 0.0000450500000000, 0.0020544300000000 ] - [ 0.0001958900000000, 0.0000043900000000, -0.0020526800000000 ] - [ 0.0003233300000000, 0.0000086600000000, -0.0020611900000000 ] - [ 0.0000667600000000, 0.0000084500000000, -0.0020475100000000 ] - [ -0.0002082600000000, -0.0009840800000000, 0.0020605800000000 ] - [ 0.0005458100000000, 0.0009728800000000, 0.0019177800000000 ] - [ -0.0009435200000000, 0.0009817500000000, 0.0021948700000000 ]- atom: 43 displacement: [ -0.0048805429774377, 0.0000000000000000, 0.0087281326894922 ] forces: - [ 0.0079724700000000, 0.0000000000000000, 0.0255328800000000 ] - [ -0.0045479600000000, 0.0006603600000000, -0.0003232200000000 ] - [ -0.0045479600000000, -0.0006603600000000, -0.0003232200000000 ] - [ 0.0031763400000000, 0.0000000000000000, 0.0015619700000000 ] - [ 0.0032225400000000, 0.0000172500000000, 0.0016160000000000 ] - [ 0.0032225400000000, -0.0000172500000000, 0.0016160000000000 ] - [ -0.0033710200000000, -0.0000793300000000, -0.0018205200000000 ] - [ -0.0033710200000000, 0.0000793300000000, -0.0018205200000000 ] - [ -0.0033607800000000, 0.0000000000000000, -0.0017875700000000 ] - [ -0.0044052700000000, 0.0079908900000000, 0.0083760800000000 ] - [ -0.0044052700000000, -0.0079908900000000, 0.0083760800000000 ] - [ 0.0027340800000000, 0.0000000000000000, 0.0022189300000000 ] - [ 0.0025230900000000, 0.0012572800000000, -0.0016775200000000 ] - [ 0.0025230900000000, -0.0012572800000000, -0.0016775200000000 ] - [ 0.0028916600000000, 0.0000000000000000, 0.0002756800000000 ] - [ -0.0023146600000000, -0.0000702200000000, -0.0000922200000000 ] - [ -0.0023146600000000, 0.0000702200000000, -0.0000922200000000 ] - [ -0.0022720100000000, 0.0000000000000000, -0.0001732700000000 ] - [ -0.0070867800000000, 0.0001932900000000, 0.0008991000000000 ] - [ -0.0070867800000000, -0.0001932900000000, 0.0008991000000000 ] - [ -0.0073563500000000, 0.0000000000000000, 0.0013168400000000 ] - [ 0.0075775800000000, 0.0002677900000000, -0.0009549700000000 ] - [ 0.0075775800000000, -0.0002677900000000, -0.0009549700000000 ] - [ 0.0072745700000000, 0.0000000000000000, -0.0012348300000000 ] - [ 0.0023712900000000, 0.0000000000000000, 0.0001054900000000 ] - [ 0.0023211400000000, 0.0000014100000000, 0.0000099700000000 ] - [ 0.0023211400000000, -0.0000014100000000, 0.0000099700000000 ] - [ -0.0006115500000000, 0.0000000000000000, -0.0015401300000000 ] - [ -0.0010421200000000, 0.0008510400000000, -0.0015443700000000 ] - [ -0.0010421200000000, -0.0008510400000000, -0.0015443700000000 ] - [ -0.0071540000000000, 0.0000000000000000, 0.0017146900000000 ] - [ -0.0073837800000000, 0.0000700900000000, 0.0012843200000000 ] - [ -0.0073837800000000, -0.0000700900000000, 0.0012843200000000 ] - [ 0.0075138600000000, 0.0000000000000000, -0.0024161400000000 ] - [ 0.0074582800000000, -0.0004828800000000, -0.0015725800000000 ] - [ 0.0074582800000000, 0.0004828800000000, -0.0015725800000000 ] - [ 0.0062489500000000, 0.0000000000000000, -0.0018052500000000 ] - [ 0.0072356500000000, -0.0000700300000000, -0.0006462900000000 ] - [ 0.0072356500000000, 0.0000700300000000, -0.0006462900000000 ] - [ -0.0039394700000000, 0.0000000000000000, -0.0064751500000000 ] - [ -0.0039675000000000, 0.0000266100000000, -0.0064410500000000 ] - [ -0.0039675000000000, -0.0000266100000000, -0.0064410500000000 ] - [ 0.0122824700000000, 0.0000000000000000, -0.0586453200000000 ] - [ -0.0023477400000000, 0.0006615800000000, 0.0010338400000000 ] - [ -0.0023477400000000, -0.0006615800000000, 0.0010338400000000 ] - [ -0.0088532400000000, 0.0000000000000000, 0.0097520900000000 ] - [ -0.0076165000000000, 0.0007890000000000, 0.0061744700000000 ] - [ -0.0076165000000000, -0.0007890000000000, 0.0061744700000000 ] - [ 0.0079165600000000, 0.0000000000000000, -0.0060301700000000 ] - [ 0.0080264000000000, -0.0001433200000000, -0.0059634100000000 ] - [ 0.0080264000000000, 0.0001433200000000, -0.0059634100000000 ] - [ 0.0032373700000000, 0.0000000000000000, 0.0079062700000000 ] - [ 0.0033203600000000, 0.0002602700000000, 0.0070746500000000 ] - [ 0.0033203600000000, -0.0002602700000000, 0.0070746500000000 ] - [ -0.0068072400000000, 0.0000000000000000, 0.0007817100000000 ] - [ -0.0069656700000000, 0.0000293900000000, 0.0005917500000000 ] - [ -0.0069656700000000, -0.0000293900000000, 0.0005917500000000 ] - [ 0.0024677400000000, 0.0000000000000000, -0.0017240900000000 ] - [ 0.0025605000000000, 0.0000125100000000, -0.0016830700000000 ] - [ 0.0025605000000000, -0.0000125100000000, -0.0016830700000000 ] - [ 0.0069069800000000, -0.0001180000000000, -0.0003039700000000 ] - [ 0.0069069800000000, 0.0001180000000000, -0.0003039700000000 ] - [ 0.0070062800000000, 0.0000000000000000, -0.0004683000000000 ] - [ -0.0050731800000000, -0.0000816800000000, -0.0035236700000000 ] - [ -0.0050731800000000, 0.0000816800000000, -0.0035236700000000 ] - [ -0.0043677800000000, 0.0000000000000000, -0.0065890700000000 ] - [ -0.0024148500000000, 0.0000267100000000, 0.0017028200000000 ] - [ -0.0024148500000000, -0.0000267100000000, 0.0017028200000000 ] - [ -0.0023988300000000, 0.0000000000000000, 0.0016905900000000 ] - [ -0.0081323800000000, -0.0000463900000000, 0.0058302100000000 ] - [ -0.0081323800000000, 0.0000463900000000, 0.0058302100000000 ] - [ -0.0080343000000000, 0.0000000000000000, 0.0059744600000000 ] - [ 0.0074589300000000, -0.0000751400000000, -0.0054210500000000 ] - [ 0.0074589300000000, 0.0000751400000000, -0.0054210500000000 ] - [ 0.0081904000000000, 0.0000000000000000, -0.0059728600000000 ] - [ 0.0040125700000000, 0.0000315100000000, 0.0065368800000000 ] - [ 0.0040125700000000, -0.0000315100000000, 0.0065368800000000 ] - [ 0.0041218900000000, 0.0000000000000000, 0.0066692100000000 ] - [ -0.0071623600000000, 0.0001695300000000, -0.0001631200000000 ] - [ -0.0071623600000000, -0.0001695300000000, -0.0001631200000000 ] - [ -0.0067042100000000, 0.0000000000000000, 0.0006049700000000 ] - [ 0.0019808100000000, 0.0063462500000000, 0.0055936400000000 ] - [ 0.0019808100000000, -0.0063462500000000, 0.0055936400000000 ] - [ 0.0026793900000000, 0.0000000000000000, -0.0023176200000000 ] - [ -0.0008258000000000, -0.0012027100000000, -0.0028486300000000 ] - [ -0.0008258000000000, 0.0012027100000000, -0.0028486300000000 ] - [ 0.0001840400000000, 0.0000000000000000, -0.0020650500000000 ] - [ -0.0001643600000000, 0.0000359000000000, 0.0022120100000000 ] - [ -0.0001643600000000, -0.0000359000000000, 0.0022120100000000 ] - [ -0.0001825400000000, 0.0000000000000000, 0.0020539000000000 ] - [ 0.0001796900000000, 0.0000000000000000, -0.0016637200000000 ] - [ 0.0001493200000000, -0.0000103600000000, -0.0019785800000000 ] - [ 0.0001493200000000, 0.0000103600000000, -0.0019785800000000 ] - [ -0.0047370200000000, 0.0000000000000000, 0.0043371200000000 ] - [ -0.0007671100000000, -0.0004454000000000, 0.0022283900000000 ] - [ -0.0007671100000000, 0.0004454000000000, 0.0022283900000000 ]- atom: 43 displacement: [ 0.0048805429774377, 0.0000000000000000, -0.0087281326894922 ] forces: - [ -0.0148973700000000, 0.0000000000000000, -0.0292596400000000 ] - [ -0.0019258500000000, -0.0006547600000000, -0.0029702200000000 ] - [ -0.0019258500000000, 0.0006547600000000, -0.0029702200000000 ] - [ 0.0033001300000000, 0.0000000000000000, 0.0017213100000000 ] - [ 0.0032541300000000, -0.0000168500000000, 0.0016675400000000 ] - [ 0.0032541300000000, 0.0000168500000000, 0.0016675400000000 ] - [ -0.0031101100000000, 0.0000799600000000, -0.0014626800000000 ] - [ -0.0031101100000000, -0.0000799600000000, -0.0014626800000000 ] - [ -0.0031194600000000, 0.0000000000000000, -0.0014958600000000 ] - [ 0.0111500400000000, -0.0083792000000000, -0.0051812000000000 ] - [ 0.0111500400000000, 0.0083792000000000, -0.0051812000000000 ] - [ 0.0037522600000000, 0.0000000000000000, 0.0010538400000000 ] - [ 0.0021679300000000, -0.0012929000000000, 0.0019230500000000 ] - [ 0.0021679300000000, 0.0012929000000000, 0.0019230500000000 ] - [ 0.0018184100000000, 0.0000000000000000, -0.0000262600000000 ] - [ -0.0023948600000000, 0.0000690400000000, -0.0001395900000000 ] - [ -0.0023948600000000, -0.0000690400000000, -0.0001395900000000 ] - [ -0.0024345100000000, 0.0000000000000000, -0.0000579300000000 ] - [ -0.0078845600000000, -0.0001917200000000, 0.0016596000000000 ] - [ -0.0078845600000000, 0.0001917200000000, 0.0016596000000000 ] - [ -0.0076102200000000, 0.0000000000000000, 0.0012404200000000 ] - [ 0.0073926800000000, -0.0002704100000000, -0.0015986400000000 ] - [ 0.0073926800000000, 0.0002704100000000, -0.0015986400000000 ] - [ 0.0076985300000000, 0.0000000000000000, -0.0013161600000000 ] - [ 0.0023416300000000, 0.0000000000000000, 0.0001282600000000 ] - [ 0.0023929700000000, -0.0000004700000000, 0.0002243000000000 ] - [ 0.0023929700000000, 0.0000004700000000, 0.0002243000000000 ] - [ -0.0040822500000000, 0.0000000000000000, 0.0012969200000000 ] - [ -0.0036648300000000, -0.0008660500000000, 0.0013196700000000 ] - [ -0.0036648300000000, 0.0008660500000000, 0.0013196700000000 ] - [ -0.0077998500000000, 0.0000000000000000, 0.0008361100000000 ] - [ -0.0075756200000000, -0.0000590300000000, 0.0012619200000000 ] - [ -0.0075756200000000, 0.0000590300000000, 0.0012619200000000 ] - [ 0.0074420800000000, 0.0000000000000000, -0.0001231400000000 ] - [ 0.0075096900000000, 0.0004734900000000, -0.0009857800000000 ] - [ 0.0075096900000000, -0.0004734900000000, -0.0009857800000000 ] - [ 0.0074468200000000, 0.0000000000000000, 0.0006550800000000 ] - [ 0.0064534000000000, 0.0000704300000000, -0.0005041900000000 ] - [ 0.0064534000000000, -0.0000704300000000, -0.0005041900000000 ] - [ -0.0039993700000000, 0.0000000000000000, -0.0065471800000000 ] - [ -0.0039743300000000, -0.0000264600000000, -0.0065817600000000 ] - [ -0.0039743300000000, 0.0000264600000000, -0.0065817600000000 ] - [ -0.0171959300000000, 0.0000000000000000, 0.0626021100000000 ] - [ -0.0025462500000000, -0.0006841600000000, 0.0023624000000000 ] - [ -0.0025462500000000, 0.0006841600000000, 0.0023624000000000 ] - [ -0.0074070700000000, 0.0000000000000000, 0.0021220500000000 ] - [ -0.0086453200000000, -0.0007732300000000, 0.0056528800000000 ] - [ -0.0086453200000000, 0.0007732300000000, 0.0056528800000000 ] - [ 0.0083548200000000, 0.0000000000000000, -0.0057931700000000 ] - [ 0.0082442000000000, 0.0001383300000000, -0.0058607500000000 ] - [ 0.0082442000000000, -0.0001383300000000, -0.0058607500000000 ] - [ 0.0046772500000000, 0.0000000000000000, 0.0051418300000000 ] - [ 0.0046100600000000, -0.0002547400000000, 0.0059378800000000 ] - [ 0.0046100600000000, 0.0002547400000000, 0.0059378800000000 ] - [ -0.0068850800000000, 0.0000000000000000, 0.0003667200000000 ] - [ -0.0067294200000000, -0.0000297900000000, 0.0005569000000000 ] - [ -0.0067294200000000, 0.0000297900000000, 0.0005569000000000 ] - [ 0.0024251200000000, 0.0000000000000000, -0.0016740100000000 ] - [ 0.0023332700000000, -0.0000122200000000, -0.0017142200000000 ] - [ 0.0023332700000000, 0.0000122200000000, -0.0017142200000000 ] - [ 0.0067870600000000, 0.0001156700000000, -0.0008439800000000 ] - [ 0.0067870600000000, -0.0001156700000000, -0.0008439800000000 ] - [ 0.0066894400000000, 0.0000000000000000, -0.0006797300000000 ] - [ -0.0028860300000000, 0.0000795000000000, -0.0094418600000000 ] - [ -0.0028860300000000, -0.0000795000000000, -0.0094418600000000 ] - [ -0.0035678200000000, 0.0000000000000000, -0.0064363500000000 ] - [ -0.0024764500000000, -0.0000269200000000, 0.0016935800000000 ] - [ -0.0024764500000000, 0.0000269200000000, 0.0016935800000000 ] - [ -0.0024928900000000, 0.0000000000000000, 0.0017056300000000 ] - [ -0.0081436500000000, 0.0000470500000000, 0.0059926500000000 ] - [ -0.0081436500000000, -0.0000470500000000, 0.0059926500000000 ] - [ -0.0082419300000000, 0.0000000000000000, 0.0058464300000000 ] - [ 0.0088145900000000, 0.0000697600000000, -0.0063993300000000 ] - [ 0.0088145900000000, -0.0000697600000000, -0.0063993300000000 ] - [ 0.0080815800000000, 0.0000000000000000, -0.0058526400000000 ] - [ 0.0039207500000000, -0.0000298500000000, 0.0064827600000000 ] - [ 0.0039207500000000, 0.0000298500000000, 0.0064827600000000 ] - [ 0.0038124500000000, 0.0000000000000000, 0.0063498200000000 ] - [ -0.0065656500000000, -0.0001498800000000, 0.0013103500000000 ] - [ -0.0065656500000000, 0.0001498800000000, 0.0013103500000000 ] - [ -0.0069886800000000, 0.0000000000000000, 0.0005466100000000 ] - [ 0.0029021600000000, -0.0064241700000000, -0.0090548900000000 ] - [ 0.0029021600000000, 0.0064241700000000, -0.0090548900000000 ] - [ 0.0022097400000000, 0.0000000000000000, -0.0010734700000000 ] - [ 0.0012347500000000, 0.0012179600000000, -0.0012621800000000 ] - [ 0.0012347500000000, -0.0012179600000000, -0.0012621800000000 ] - [ 0.0002095800000000, 0.0000000000000000, -0.0020430100000000 ] - [ -0.0002249200000000, -0.0000358400000000, 0.0018958100000000 ] - [ -0.0002249200000000, 0.0000358400000000, 0.0018958100000000 ] - [ -0.0002080200000000, 0.0000000000000000, 0.0020543900000000 ] - [ 0.0002142100000000, 0.0000000000000000, -0.0024385200000000 ] - [ 0.0002392500000000, 0.0000103100000000, -0.0021283100000000 ] - [ 0.0002392500000000, -0.0000103100000000, -0.0021283100000000 ] - [ 0.0043998600000000, 0.0000000000000000, -0.0002482000000000 ] - [ 0.0003692200000000, 0.0004387700000000, 0.0018871600000000 ] - [ 0.0003692200000000, -0.0004387700000000, 0.0018871600000000 ]- atom: 46 displacement: [ 0.0099998524231531, 0.0000000000000000, 0.0000543278488306 ] forces: - [ -0.0025832200000000, 0.0000000000000000, -0.0008761600000000 ] - [ -0.0032882400000000, -0.0002558700000000, -0.0017752000000000 ] - [ -0.0032882400000000, 0.0002558700000000, -0.0017752000000000 ] - [ 0.0030229500000000, 0.0000000000000000, 0.0014343500000000 ] - [ 0.0028876500000000, 0.0000236700000000, 0.0011424600000000 ] - [ 0.0028876500000000, -0.0000236700000000, 0.0011424600000000 ] - [ -0.0036740800000000, -0.0004696900000000, -0.0023139800000000 ] - [ -0.0036740800000000, 0.0004696900000000, -0.0023139800000000 ] - [ -0.0032493300000000, 0.0000000000000000, -0.0016982200000000 ] - [ 0.0028654800000000, 0.0006264700000000, 0.0016951500000000 ] - [ 0.0028654800000000, -0.0006264700000000, 0.0016951500000000 ] - [ 0.0037477000000000, 0.0000000000000000, 0.0017020400000000 ] - [ 0.0210554300000000, 0.0147306800000000, 0.0077982300000000 ] - [ 0.0210554300000000, -0.0147306800000000, 0.0077982300000000 ] - [ 0.0041591100000000, 0.0000000000000000, 0.0008108800000000 ] - [ -0.0022809600000000, 0.0000463600000000, 0.0000677400000000 ] - [ -0.0022809600000000, -0.0000463600000000, 0.0000677400000000 ] - [ -0.0024314400000000, 0.0000000000000000, 0.0000677400000000 ] - [ -0.0080692600000000, 0.0001919500000000, 0.0010854600000000 ] - [ -0.0080692600000000, -0.0001919500000000, 0.0010854600000000 ] - [ -0.0087943800000000, 0.0000000000000000, 0.0006074600000000 ] - [ 0.0073632600000000, 0.0000419400000000, -0.0013656700000000 ] - [ 0.0073632600000000, -0.0000419400000000, -0.0013656700000000 ] - [ 0.0073127300000000, 0.0000000000000000, -0.0013392600000000 ] - [ 0.0022635200000000, 0.0000000000000000, 0.0000161300000000 ] - [ 0.0021154400000000, -0.0000094800000000, -0.0000695400000000 ] - [ 0.0021154400000000, 0.0000094800000000, -0.0000695400000000 ] - [ -0.0027129900000000, 0.0000000000000000, 0.0002720300000000 ] - [ -0.0029613100000000, -0.0000148000000000, 0.0006372000000000 ] - [ -0.0029613100000000, 0.0000148000000000, 0.0006372000000000 ] - [ -0.0072466700000000, 0.0000000000000000, 0.0008714900000000 ] - [ -0.0072436700000000, 0.0000702000000000, 0.0010723700000000 ] - [ -0.0072436700000000, -0.0000702000000000, 0.0010723700000000 ] - [ 0.0142336600000000, 0.0000000000000000, -0.0176341900000000 ] - [ 0.0085954200000000, -0.0001503700000000, -0.0010704200000000 ] - [ 0.0085954200000000, 0.0001503700000000, -0.0010704200000000 ] - [ 0.0069321000000000, 0.0000000000000000, -0.0004856700000000 ] - [ 0.0069255000000000, 0.0000712900000000, -0.0004728500000000 ] - [ 0.0069255000000000, -0.0000712900000000, -0.0004728500000000 ] - [ -0.0038009500000000, 0.0000000000000000, -0.0064207500000000 ] - [ -0.0038644400000000, -0.0000192300000000, -0.0064394500000000 ] - [ -0.0038644400000000, 0.0000192300000000, -0.0064394500000000 ] - [ -0.0033712900000000, 0.0000000000000000, 0.0003845800000000 ] - [ -0.0028796800000000, -0.0003416400000000, 0.0020476700000000 ] - [ -0.0028796800000000, 0.0003416400000000, 0.0020476700000000 ] - [ -0.0651963600000000, 0.0000000000000000, 0.0058167100000000 ] - [ -0.0100627600000000, 0.0004351000000000, 0.0049281000000000 ] - [ -0.0100627600000000, -0.0004351000000000, 0.0049281000000000 ] - [ 0.0094424700000000, 0.0000000000000000, -0.0050495700000000 ] - [ 0.0080496600000000, -0.0000034400000000, -0.0059244100000000 ] - [ 0.0080496600000000, 0.0000034400000000, -0.0059244100000000 ] - [ 0.0054807800000000, 0.0000000000000000, 0.0069651900000000 ] - [ 0.0061307000000000, -0.0017672600000000, 0.0062448900000000 ] - [ 0.0061307000000000, 0.0017672600000000, 0.0062448900000000 ] - [ -0.0067337100000000, 0.0000000000000000, 0.0005350900000000 ] - [ -0.0062784100000000, 0.0000229700000000, 0.0005770800000000 ] - [ -0.0062784100000000, -0.0000229700000000, 0.0005770800000000 ] - [ 0.0026780800000000, 0.0000000000000000, -0.0018234400000000 ] - [ 0.0029713700000000, 0.0004358200000000, -0.0015319800000000 ] - [ 0.0029713700000000, -0.0004358200000000, -0.0015319800000000 ] - [ 0.0076317500000000, -0.0008932800000000, 0.0026087200000000 ] - [ 0.0076317500000000, 0.0008932800000000, 0.0026087200000000 ] - [ 0.0065268100000000, 0.0000000000000000, -0.0006421300000000 ] - [ -0.0015979300000000, 0.0028509200000000, -0.0079652100000000 ] - [ -0.0015979300000000, -0.0028509200000000, -0.0079652100000000 ] - [ -0.0044236200000000, 0.0000000000000000, -0.0066995700000000 ] - [ -0.0023271100000000, 0.0000013700000000, 0.0017716200000000 ] - [ -0.0023271100000000, -0.0000013700000000, 0.0017716200000000 ] - [ -0.0022930100000000, 0.0000000000000000, 0.0019047100000000 ] - [ -0.0081439900000000, -0.0000018400000000, 0.0059855500000000 ] - [ -0.0081439900000000, 0.0000018400000000, 0.0059855500000000 ] - [ -0.0080063200000000, 0.0000000000000000, 0.0058809400000000 ] - [ 0.0085662100000000, -0.0000919400000000, -0.0058493600000000 ] - [ 0.0085662100000000, 0.0000919400000000, -0.0058493600000000 ] - [ 0.0091429500000000, 0.0000000000000000, -0.0058211900000000 ] - [ 0.0041513300000000, -0.0000248500000000, 0.0064423200000000 ] - [ 0.0041513300000000, 0.0000248500000000, 0.0064423200000000 ] - [ 0.0042706700000000, 0.0000000000000000, 0.0065409900000000 ] - [ -0.0060047500000000, -0.0007280000000000, 0.0002665900000000 ] - [ -0.0060047500000000, 0.0007280000000000, 0.0002665900000000 ] - [ -0.0069352600000000, 0.0000000000000000, 0.0004486900000000 ] - [ 0.0027582500000000, -0.0006108400000000, -0.0023020500000000 ] - [ 0.0027582500000000, 0.0006108400000000, -0.0023020500000000 ] - [ 0.0024843800000000, 0.0000000000000000, -0.0016167000000000 ] - [ 0.0000676000000000, -0.0001909300000000, -0.0019934800000000 ] - [ 0.0000676000000000, 0.0001909300000000, -0.0019934800000000 ] - [ 0.0001674500000000, 0.0000000000000000, -0.0019603600000000 ] - [ -0.0001171800000000, -0.0000378400000000, 0.0021732300000000 ] - [ -0.0001171800000000, 0.0000378400000000, 0.0021732300000000 ] - [ 0.0000406500000000, 0.0000000000000000, 0.0023060500000000 ] - [ -0.0001542300000000, 0.0000000000000000, -0.0019256000000000 ] - [ -0.0000314500000000, 0.0004091400000000, -0.0016957500000000 ] - [ -0.0000314500000000, -0.0004091400000000, -0.0016957500000000 ] - [ -0.0000001000000000, 0.0000000000000000, 0.0019960500000000 ] - [ -0.0002963700000000, 0.0000635100000000, 0.0019408200000000 ] - [ -0.0002963700000000, -0.0000635100000000, 0.0019408200000000 ]- atom: 46 displacement: [ -0.0099998524231531, 0.0000000000000000, -0.0000543278488306 ] forces: - [ -0.0038904600000000, 0.0000000000000000, -0.0023967600000000 ] - [ -0.0031896800000000, 0.0002536300000000, -0.0015068100000000 ] - [ -0.0031896800000000, -0.0002536300000000, -0.0015068100000000 ] - [ 0.0034521600000000, 0.0000000000000000, 0.0018476200000000 ] - [ 0.0035862300000000, -0.0000231500000000, 0.0021377700000000 ] - [ 0.0035862300000000, 0.0000231500000000, 0.0021377700000000 ] - [ -0.0028001800000000, 0.0004628400000000, -0.0009685100000000 ] - [ -0.0028001800000000, -0.0004628400000000, -0.0009685100000000 ] - [ -0.0032253600000000, 0.0000000000000000, -0.0015848600000000 ] - [ 0.0036060000000000, -0.0006332800000000, 0.0015877000000000 ] - [ 0.0036060000000000, 0.0006332800000000, 0.0015877000000000 ] - [ 0.0027289800000000, 0.0000000000000000, 0.0015821200000000 ] - [ -0.0166258900000000, -0.0152311100000000, -0.0077819800000000 ] - [ -0.0166258900000000, 0.0152311100000000, -0.0077819800000000 ] - [ 0.0005645700000000, 0.0000000000000000, -0.0005706800000000 ] - [ -0.0024205800000000, -0.0000509500000000, -0.0002983900000000 ] - [ -0.0024205800000000, 0.0000509500000000, -0.0002983900000000 ] - [ -0.0022783400000000, 0.0000000000000000, -0.0003019100000000 ] - [ -0.0068991100000000, -0.0001792400000000, 0.0014653400000000 ] - [ -0.0068991100000000, 0.0001792400000000, 0.0014653400000000 ] - [ -0.0061907700000000, 0.0000000000000000, 0.0019402800000000 ] - [ 0.0076083600000000, -0.0000403800000000, -0.0011890500000000 ] - [ 0.0076083600000000, 0.0000403800000000, -0.0011890500000000 ] - [ 0.0076579700000000, 0.0000000000000000, -0.0012166400000000 ] - [ 0.0024475500000000, 0.0000000000000000, 0.0002199000000000 ] - [ 0.0025926800000000, 0.0000113000000000, 0.0003029600000000 ] - [ 0.0025926800000000, -0.0000113000000000, 0.0003029600000000 ] - [ -0.0019994900000000, 0.0000000000000000, -0.0005090800000000 ] - [ -0.0017455000000000, 0.0000104400000000, -0.0008566600000000 ] - [ -0.0017455000000000, -0.0000104400000000, -0.0008566600000000 ] - [ -0.0077138000000000, 0.0000000000000000, 0.0016736900000000 ] - [ -0.0077224500000000, -0.0000678600000000, 0.0014789800000000 ] - [ -0.0077224500000000, 0.0000678600000000, 0.0014789800000000 ] - [ 0.0008595100000000, 0.0000000000000000, 0.0150749000000000 ] - [ 0.0063820600000000, 0.0001568700000000, -0.0014835000000000 ] - [ 0.0063820600000000, -0.0001568700000000, -0.0014835000000000 ] - [ 0.0067601100000000, 0.0000000000000000, -0.0006639800000000 ] - [ 0.0067671900000000, -0.0000699500000000, -0.0006766300000000 ] - [ 0.0067671900000000, 0.0000699500000000, -0.0006766300000000 ] - [ -0.0041337900000000, 0.0000000000000000, -0.0066002000000000 ] - [ -0.0040744300000000, 0.0000182700000000, -0.0065819900000000 ] - [ -0.0040744300000000, -0.0000182700000000, -0.0065819900000000 ] - [ -0.0015440200000000, 0.0000000000000000, 0.0030137100000000 ] - [ -0.0020109800000000, 0.0003433400000000, 0.0013494700000000 ] - [ -0.0020109800000000, -0.0003433400000000, 0.0013494700000000 ] - [ 0.0493607500000000, 0.0000000000000000, 0.0063940900000000 ] - [ -0.0062098700000000, -0.0004264400000000, 0.0068989500000000 ] - [ -0.0062098700000000, 0.0004264400000000, 0.0068989500000000 ] - [ 0.0068646600000000, 0.0000000000000000, -0.0067581300000000 ] - [ 0.0082253000000000, 0.0000026100000000, -0.0058985400000000 ] - [ 0.0082253000000000, -0.0000026100000000, -0.0058985400000000 ] - [ 0.0024088200000000, 0.0000000000000000, 0.0060363700000000 ] - [ 0.0018197000000000, 0.0017538100000000, 0.0067739300000000 ] - [ 0.0018197000000000, -0.0017538100000000, 0.0067739300000000 ] - [ -0.0069548500000000, 0.0000000000000000, 0.0006155900000000 ] - [ -0.0074131300000000, -0.0000163300000000, 0.0005746100000000 ] - [ -0.0074131300000000, 0.0000163300000000, 0.0005746100000000 ] - [ 0.0022143600000000, 0.0000000000000000, -0.0015764400000000 ] - [ 0.0019231300000000, -0.0004328500000000, -0.0018650400000000 ] - [ 0.0019231300000000, 0.0004328500000000, -0.0018650400000000 ] - [ 0.0060554100000000, 0.0008911200000000, -0.0037469500000000 ] - [ 0.0060554100000000, -0.0008911200000000, -0.0037469500000000 ] - [ 0.0071619900000000, 0.0000000000000000, -0.0005064600000000 ] - [ -0.0063658600000000, -0.0028900100000000, -0.0050388600000000 ] - [ -0.0063658600000000, 0.0028900100000000, -0.0050388600000000 ] - [ -0.0035142700000000, 0.0000000000000000, -0.0063239700000000 ] - [ -0.0025627300000000, 0.0000002900000000, 0.0016257400000000 ] - [ -0.0025627300000000, -0.0000002900000000, 0.0016257400000000 ] - [ -0.0025974400000000, 0.0000000000000000, 0.0014931500000000 ] - [ -0.0081334700000000, 0.0000023800000000, 0.0058379600000000 ] - [ -0.0081334700000000, -0.0000023800000000, 0.0058379600000000 ] - [ -0.0082705400000000, 0.0000000000000000, 0.0059425100000000 ] - [ 0.0077086600000000, 0.0000898500000000, -0.0059713500000000 ] - [ 0.0077086600000000, -0.0000898500000000, -0.0059713500000000 ] - [ 0.0071339300000000, 0.0000000000000000, -0.0060070500000000 ] - [ 0.0037861000000000, 0.0000248800000000, 0.0065788800000000 ] - [ 0.0037861000000000, -0.0000248800000000, 0.0065788800000000 ] - [ 0.0036730300000000, 0.0000000000000000, 0.0064826500000000 ] - [ -0.0076795400000000, 0.0007212800000000, 0.0008773700000000 ] - [ -0.0076795400000000, -0.0007212800000000, 0.0008773700000000 ] - [ -0.0067573700000000, 0.0000000000000000, 0.0007001400000000 ] - [ 0.0021382500000000, 0.0006051100000000, -0.0010988400000000 ] - [ 0.0021382500000000, -0.0006051100000000, -0.0010988400000000 ] - [ 0.0024070100000000, 0.0000000000000000, -0.0017809900000000 ] - [ 0.0003207700000000, 0.0001861100000000, -0.0021150300000000 ] - [ 0.0003207700000000, -0.0001861100000000, -0.0021150300000000 ] - [ 0.0002247300000000, 0.0000000000000000, -0.0021475400000000 ] - [ -0.0002755400000000, 0.0000380900000000, 0.0019363400000000 ] - [ -0.0002755400000000, -0.0000380900000000, 0.0019363400000000 ] - [ -0.0004319200000000, 0.0000000000000000, 0.0018047500000000 ] - [ 0.0005323500000000, 0.0000000000000000, -0.0021920300000000 ] - [ 0.0004204200000000, -0.0004058600000000, -0.0024094800000000 ] - [ 0.0004204200000000, 0.0004058600000000, -0.0024094800000000 ] - [ -0.0003793300000000, 0.0000000000000000, 0.0021024600000000 ] - [ -0.0000966800000000, -0.0000635100000000, 0.0021680200000000 ] - [ -0.0000966800000000, 0.0000635100000000, 0.0021680200000000 ]- atom: 46 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0032323000000000, 0.0005511500000000, -0.0016343800000000 ] - [ -0.0030867900000000, -0.0002053000000000, -0.0014061300000000 ] - [ -0.0033879700000000, -0.0002024500000000, -0.0018755300000000 ] - [ 0.0032377100000000, -0.0000011800000000, 0.0016403600000000 ] - [ 0.0030052700000000, 0.0000418900000000, 0.0012818600000000 ] - [ 0.0034692000000000, 0.0000418900000000, 0.0019988500000000 ] - [ -0.0027703800000000, 0.0005263400000000, -0.0010509100000000 ] - [ -0.0036966100000000, 0.0005333700000000, -0.0022295900000000 ] - [ -0.0032367200000000, -0.0004204800000000, -0.0016412500000000 ] - [ 0.0033312000000000, 0.0001540000000000, 0.0018352800000000 ] - [ 0.0031338800000000, 0.0001586700000000, 0.0014423000000000 ] - [ 0.0032378200000000, -0.0009408000000000, 0.0016407000000000 ] - [ 0.0125606700000000, 0.0133526700000000, 0.0052479600000000 ] - [ -0.0083821200000000, 0.0138221000000000, -0.0052510900000000 ] - [ 0.0023689800000000, -0.0029862000000000, 0.0001217800000000 ] - [ -0.0023109600000000, 0.0000853500000000, -0.0001410100000000 ] - [ -0.0023983900000000, 0.0000901200000000, -0.0000911300000000 ] - [ -0.0023549300000000, -0.0002088100000000, -0.0001161300000000 ] - [ -0.0080070800000000, 0.0006722300000000, 0.0012492600000000 ] - [ -0.0069655600000000, 0.0006717500000000, 0.0013004400000000 ] - [ -0.0074785600000000, -0.0039083000000000, 0.0012739200000000 ] - [ 0.0075060600000000, -0.0000968700000000, -0.0013573700000000 ] - [ 0.0074676400000000, -0.0000973500000000, -0.0011920100000000 ] - [ 0.0074869400000000, 0.0000779400000000, -0.0012747200000000 ] - [ 0.0023565400000000, 0.0000234200000000, 0.0001177400000000 ] - [ 0.0022999700000000, -0.0000649500000000, 0.0000880200000000 ] - [ 0.0024116000000000, -0.0000654400000000, 0.0001468000000000 ] - [ -0.0023580800000000, 0.0010511800000000, -0.0001188000000000 ] - [ -0.0006753900000000, -0.0014521500000000, -0.0011213600000000 ] - [ -0.0040389600000000, -0.0014457100000000, 0.0008933200000000 ] - [ -0.0074835500000000, -0.0000609100000000, 0.0012776900000000 ] - [ -0.0073602200000000, -0.0000345600000000, 0.0009640100000000 ] - [ -0.0076094400000000, -0.0000372100000000, 0.0015847300000000 ] - [ 0.0074953400000000, 0.0038404700000000, -0.0013225600000000 ] - [ 0.0072747100000000, -0.0007709100000000, -0.0016867400000000 ] - [ 0.0076925900000000, -0.0007777200000000, -0.0008708900000000 ] - [ 0.0068450700000000, -0.0000093700000000, -0.0005752600000000 ] - [ 0.0069727200000000, 0.0000890900000000, -0.0006161000000000 ] - [ 0.0067174700000000, 0.0000886600000000, -0.0005347900000000 ] - [ -0.0039696400000000, 0.0000648100000000, -0.0065109800000000 ] - [ -0.0040035100000000, 0.0000164000000000, -0.0065560800000000 ] - [ -0.0039358900000000, 0.0000167200000000, -0.0064664700000000 ] - [ -0.0024556000000000, -0.0004408200000000, 0.0016880800000000 ] - [ -0.0019167900000000, 0.0007374100000000, 0.0011002300000000 ] - [ -0.0029732500000000, 0.0007398500000000, 0.0022991300000000 ] - [ -0.0075869000000000, -0.0518523100000000, 0.0062113900000000 ] - [ -0.0085824500000000, 0.0021903100000000, 0.0057701400000000 ] - [ -0.0077220600000000, 0.0021360600000000, 0.0060421600000000 ] - [ 0.0081330600000000, -0.0001056600000000, -0.0059126800000000 ] - [ 0.0081337900000000, 0.0000144700000000, -0.0057725600000000 ] - [ 0.0081413400000000, 0.0000155300000000, -0.0060486500000000 ] - [ 0.0039683800000000, -0.0016777300000000, 0.0065111000000000 ] - [ -0.0013822600000000, 0.0051998500000000, 0.0062660500000000 ] - [ 0.0093024500000000, 0.0051821700000000, 0.0067470400000000 ] - [ -0.0068449200000000, -0.0000262700000000, 0.0005753300000000 ] - [ -0.0063275200000000, 0.0006028900000000, 0.0004695700000000 ] - [ -0.0073651000000000, 0.0006077700000000, 0.0006812700000000 ] - [ 0.0024476300000000, -0.0004444500000000, -0.0016989100000000 ] - [ 0.0029209000000000, 0.0004710900000000, -0.0015948700000000 ] - [ 0.0019740100000000, 0.0004679700000000, -0.0018018200000000 ] - [ 0.0053202000000000, 0.0008772400000000, -0.0041882400000000 ] - [ 0.0083873400000000, 0.0008687100000000, 0.0030722900000000 ] - [ 0.0068465700000000, 0.0005569800000000, -0.0005741000000000 ] - [ -0.0003944300000000, 0.0020843200000000, -0.0080464200000000 ] - [ -0.0075697600000000, 0.0020918400000000, -0.0049698900000000 ] - [ -0.0039677500000000, 0.0006971500000000, -0.0065095500000000 ] - [ -0.0025282200000000, -0.0000409300000000, 0.0017055200000000 ] - [ -0.0023638700000000, -0.0000422800000000, 0.0016903500000000 ] - [ -0.0024454900000000, 0.0000511600000000, 0.0016982400000000 ] - [ -0.0081358600000000, -0.0000112000000000, 0.0059054100000000 ] - [ -0.0081400000000000, -0.0000112500000000, 0.0059160700000000 ] - [ -0.0081378400000000, 0.0001521300000000, 0.0059100900000000 ] - [ 0.0080475400000000, 0.0000046600000000, -0.0058955600000000 ] - [ 0.0082295200000000, 0.0000064400000000, -0.0059243100000000 ] - [ 0.0081380700000000, 0.0031947000000000, -0.0059090400000000 ] - [ 0.0039125800000000, 0.0000717000000000, 0.0065194200000000 ] - [ 0.0040231400000000, 0.0000684700000000, 0.0065015100000000 ] - [ 0.0039689400000000, 0.0000823300000000, 0.0065102800000000 ] - [ -0.0078927600000000, 0.0008007500000000, 0.0011474900000000 ] - [ -0.0057849000000000, 0.0008091700000000, -0.0000136800000000 ] - [ -0.0068449800000000, 0.0002545800000000, 0.0005752600000000 ] - [ 0.0025739200000000, -0.0000691200000000, -0.0017142600000000 ] - [ 0.0023222600000000, -0.0000601200000000, -0.0016889700000000 ] - [ 0.0024450400000000, 0.0006305800000000, -0.0016978300000000 ] - [ 0.0002932300000000, -0.0000013900000000, -0.0019511800000000 ] - [ 0.0000953000000000, 0.0000026000000000, -0.0021590900000000 ] - [ 0.0001961000000000, 0.0000739100000000, -0.0020549300000000 ] - [ -0.0001703100000000, 0.0000104300000000, 0.0020458500000000 ] - [ -0.0002208800000000, 0.0000103100000000, 0.0020642200000000 ] - [ -0.0001956300000000, 0.0000721800000000, 0.0020548600000000 ] - [ 0.0001861800000000, -0.0004530900000000, -0.0020627200000000 ] - [ 0.0000102600000000, 0.0004113700000000, -0.0016796200000000 ] - [ 0.0003772500000000, 0.0004091800000000, -0.0024272200000000 ] - [ -0.0001842100000000, 0.0001654800000000, 0.0020447200000000 ] - [ -0.0001609100000000, 0.0001142900000000, 0.0020653000000000 ] - [ -0.0002286700000000, 0.0001150600000000, 0.0020440100000000 ]- atom: 46 displacement: [ -0.0048805429774377, 0.0000000000000000, 0.0087281326894922 ] forces: - [ -0.0034249100000000, 0.0000000000000000, -0.0019389000000000 ] - [ -0.0031232800000000, 0.0000944800000000, -0.0016852900000000 ] - [ -0.0031232800000000, -0.0000944800000000, -0.0016852900000000 ] - [ 0.0029560600000000, 0.0000000000000000, 0.0015029400000000 ] - [ 0.0030249500000000, -0.0001400400000000, 0.0015410000000000 ] - [ 0.0030249500000000, 0.0001400400000000, 0.0015410000000000 ] - [ -0.0037944700000000, 0.0007947300000000, -0.0012357600000000 ] - [ -0.0037944700000000, -0.0007947300000000, -0.0012357600000000 ] - [ -0.0033224100000000, 0.0000000000000000, -0.0016554000000000 ] - [ 0.0042866000000000, 0.0005604800000000, 0.0015567600000000 ] - [ 0.0042866000000000, -0.0005604800000000, 0.0015567600000000 ] - [ 0.0034288900000000, 0.0000000000000000, 0.0015411900000000 ] - [ -0.0018876600000000, -0.0032936300000000, 0.0017541700000000 ] - [ -0.0018876600000000, 0.0032936300000000, 0.0017541700000000 ] - [ 0.0027698400000000, 0.0000000000000000, 0.0002097100000000 ] - [ -0.0025919000000000, 0.0003031700000000, -0.0002769100000000 ] - [ -0.0025919000000000, -0.0003031700000000, -0.0002769100000000 ] - [ -0.0024884300000000, 0.0000000000000000, -0.0000164900000000 ] - [ -0.0077895900000000, 0.0004464100000000, 0.0013828000000000 ] - [ -0.0077895900000000, -0.0004464100000000, 0.0013828000000000 ] - [ -0.0090114200000000, 0.0000000000000000, 0.0012605500000000 ] - [ 0.0073216100000000, -0.0000699700000000, -0.0013626700000000 ] - [ 0.0073216100000000, 0.0000699700000000, -0.0013626700000000 ] - [ 0.0073617300000000, 0.0000000000000000, -0.0013709400000000 ] - [ 0.0021227900000000, 0.0000000000000000, -0.0001362100000000 ] - [ 0.0023589300000000, -0.0001277100000000, 0.0001492900000000 ] - [ 0.0023589300000000, 0.0001277100000000, 0.0001492900000000 ] - [ -0.0016533000000000, 0.0000000000000000, 0.0002530700000000 ] - [ -0.0013886600000000, -0.0007055600000000, 0.0007013400000000 ] - [ -0.0013886600000000, 0.0007055600000000, 0.0007013400000000 ] - [ -0.0075848900000000, 0.0000000000000000, 0.0008048500000000 ] - [ -0.0075439300000000, -0.0001435500000000, 0.0014432100000000 ] - [ -0.0075439300000000, 0.0001435500000000, 0.0014432100000000 ] - [ -0.0080757600000000, 0.0000000000000000, 0.0487578900000000 ] - [ 0.0070282300000000, -0.0003990900000000, -0.0011191400000000 ] - [ 0.0070282300000000, 0.0003990900000000, -0.0011191400000000 ] - [ 0.0068387000000000, 0.0000000000000000, -0.0005251500000000 ] - [ 0.0068789600000000, -0.0000049200000000, -0.0005408100000000 ] - [ 0.0068789600000000, 0.0000049200000000, -0.0005408100000000 ] - [ -0.0038727100000000, 0.0000000000000000, -0.0064630600000000 ] - [ -0.0037741100000000, 0.0000474100000000, -0.0064610900000000 ] - [ -0.0037741100000000, -0.0000474100000000, -0.0064610900000000 ] - [ -0.0006196700000000, 0.0000000000000000, 0.0069174200000000 ] - [ -0.0026411900000000, 0.0001508700000000, 0.0015673400000000 ] - [ -0.0026411900000000, -0.0001508700000000, 0.0015673400000000 ] - [ 0.0200618400000000, 0.0000000000000000, -0.0603803000000000 ] - [ -0.0080643900000000, -0.0000929900000000, 0.0057974200000000 ] - [ -0.0080643900000000, 0.0000929900000000, 0.0057974200000000 ] - [ 0.0082488800000000, 0.0000000000000000, -0.0059735400000000 ] - [ 0.0081696600000000, 0.0001224000000000, -0.0058709100000000 ] - [ 0.0081696600000000, -0.0001224000000000, -0.0058709100000000 ] - [ 0.0038031900000000, 0.0000000000000000, 0.0061187200000000 ] - [ 0.0056454600000000, -0.0012864500000000, 0.0068442400000000 ] - [ 0.0056454600000000, 0.0012864500000000, 0.0068442400000000 ] - [ -0.0066208800000000, 0.0000000000000000, 0.0005487400000000 ] - [ -0.0064066900000000, 0.0004454200000000, 0.0006343000000000 ] - [ -0.0064066900000000, -0.0004454200000000, 0.0006343000000000 ] - [ 0.0026322300000000, 0.0000000000000000, -0.0015901800000000 ] - [ 0.0023877100000000, 0.0000319900000000, -0.0017203800000000 ] - [ 0.0023877100000000, -0.0000319900000000, -0.0017203800000000 ] - [ 0.0079515000000000, -0.0013330300000000, -0.0007366600000000 ] - [ 0.0079515000000000, 0.0013330300000000, -0.0007366600000000 ] - [ 0.0069157400000000, 0.0000000000000000, -0.0006264300000000 ] - [ -0.0079239100000000, -0.0036416000000000, -0.0058184600000000 ] - [ -0.0079239100000000, 0.0036416000000000, -0.0058184600000000 ] - [ -0.0040900700000000, 0.0000000000000000, -0.0065829100000000 ] - [ -0.0021605300000000, -0.0002087100000000, 0.0017715400000000 ] - [ -0.0021605300000000, 0.0002087100000000, 0.0017715400000000 ] - [ -0.0023508600000000, 0.0000000000000000, 0.0017559400000000 ] - [ -0.0080716300000000, 0.0000053700000000, 0.0058649900000000 ] - [ -0.0080716300000000, -0.0000053700000000, 0.0058649900000000 ] - [ -0.0082291100000000, 0.0000000000000000, 0.0059478700000000 ] - [ 0.0079837800000000, 0.0000576900000000, -0.0061711700000000 ] - [ 0.0079837800000000, -0.0000576900000000, -0.0061711700000000 ] - [ 0.0077308900000000, 0.0000000000000000, -0.0066550400000000 ] - [ 0.0039743800000000, -0.0000991500000000, 0.0065839500000000 ] - [ 0.0039743800000000, 0.0000991500000000, 0.0065839500000000 ] - [ 0.0036249600000000, 0.0000000000000000, 0.0063080700000000 ] - [ -0.0081743000000000, 0.0009399500000000, 0.0009486200000000 ] - [ -0.0081743000000000, -0.0009399500000000, 0.0009486200000000 ] - [ -0.0068777100000000, 0.0000000000000000, 0.0006430700000000 ] - [ 0.0018327000000000, 0.0005987000000000, -0.0011779800000000 ] - [ 0.0018327000000000, -0.0005987000000000, -0.0011779800000000 ] - [ 0.0024655600000000, 0.0000000000000000, -0.0017743500000000 ] - [ 0.0003315000000000, 0.0003058700000000, -0.0020209100000000 ] - [ 0.0003315000000000, -0.0003058700000000, -0.0020209100000000 ] - [ 0.0001369400000000, 0.0000000000000000, -0.0020103900000000 ] - [ -0.0001406100000000, -0.0000208100000000, 0.0020677800000000 ] - [ -0.0001406100000000, 0.0000208100000000, 0.0020677800000000 ] - [ -0.0001430000000000, 0.0000000000000000, 0.0021047700000000 ] - [ 0.0023225400000000, 0.0000000000000000, 0.0002301900000000 ] - [ 0.0002656300000000, 0.0000729300000000, -0.0021083000000000 ] - [ 0.0002656300000000, -0.0000729300000000, -0.0021083000000000 ] - [ -0.0024772900000000, 0.0000000000000000, 0.0037930800000000 ] - [ -0.0002539200000000, 0.0000873400000000, 0.0021982700000000 ] - [ -0.0002539200000000, -0.0000873400000000, 0.0021982700000000 ]- atom: 46 displacement: [ 0.0048805429774377, 0.0000000000000000, -0.0087281326894922 ] forces: - [ -0.0030531100000000, 0.0000000000000000, -0.0013530200000000 ] - [ -0.0033524600000000, -0.0001008200000000, -0.0016004800000000 ] - [ -0.0033524600000000, 0.0001008200000000, -0.0016004800000000 ] - [ 0.0035135000000000, 0.0000000000000000, 0.0017757600000000 ] - [ 0.0034438500000000, 0.0001379400000000, 0.0017358200000000 ] - [ 0.0034438500000000, -0.0001379400000000, 0.0017358200000000 ] - [ -0.0026885800000000, -0.0007894700000000, -0.0020414600000000 ] - [ -0.0026885800000000, 0.0007894700000000, -0.0020414600000000 ] - [ -0.0031542200000000, 0.0000000000000000, -0.0016256700000000 ] - [ 0.0021937700000000, -0.0005496600000000, 0.0017141300000000 ] - [ 0.0021937700000000, 0.0005496600000000, 0.0017141300000000 ] - [ 0.0030569700000000, 0.0000000000000000, 0.0017385900000000 ] - [ 0.0066557300000000, 0.0032967700000000, -0.0014972800000000 ] - [ 0.0066557300000000, -0.0032967700000000, -0.0014972800000000 ] - [ 0.0019571000000000, 0.0000000000000000, 0.0000348600000000 ] - [ -0.0021188500000000, -0.0003037100000000, 0.0000417100000000 ] - [ -0.0021188500000000, 0.0003037100000000, 0.0000417100000000 ] - [ -0.0022221100000000, 0.0000000000000000, -0.0002192500000000 ] - [ -0.0071914900000000, -0.0004355300000000, 0.0011654700000000 ] - [ -0.0071914900000000, 0.0004355300000000, 0.0011654700000000 ] - [ -0.0059991500000000, 0.0000000000000000, 0.0012822300000000 ] - [ 0.0076521200000000, 0.0000716400000000, -0.0011882000000000 ] - [ 0.0076521200000000, -0.0000716400000000, -0.0011882000000000 ] - [ 0.0076109100000000, 0.0000000000000000, -0.0011816200000000 ] - [ 0.0025856000000000, 0.0000000000000000, 0.0003688000000000 ] - [ 0.0023482100000000, 0.0001279200000000, 0.0000849600000000 ] - [ 0.0023482100000000, -0.0001279200000000, 0.0000849600000000 ] - [ -0.0030608900000000, 0.0000000000000000, -0.0004794200000000 ] - [ -0.0033116400000000, 0.0006876200000000, -0.0009090200000000 ] - [ -0.0033116400000000, -0.0006876200000000, -0.0009090200000000 ] - [ -0.0073728200000000, 0.0000000000000000, 0.0017339800000000 ] - [ -0.0074224300000000, 0.0001476900000000, 0.0011039000000000 ] - [ -0.0074224300000000, -0.0001476900000000, 0.0011039000000000 ] - [ 0.0226699300000000, 0.0000000000000000, -0.0491739900000000 ] - [ 0.0079474800000000, 0.0003924600000000, -0.0014246800000000 ] - [ 0.0079474800000000, -0.0003924600000000, -0.0014246800000000 ] - [ 0.0068512900000000, 0.0000000000000000, -0.0006260900000000 ] - [ 0.0068122400000000, 0.0000063500000000, -0.0006080100000000 ] - [ 0.0068122400000000, -0.0000063500000000, -0.0006080100000000 ] - [ -0.0040638100000000, 0.0000000000000000, -0.0065591300000000 ] - [ -0.0041637300000000, -0.0000473400000000, -0.0065614300000000 ] - [ -0.0041637300000000, 0.0000473400000000, -0.0065614300000000 ] - [ -0.0043157700000000, 0.0000000000000000, -0.0035864000000000 ] - [ -0.0022574000000000, -0.0001597900000000, 0.0018366200000000 ] - [ -0.0022574000000000, 0.0001597900000000, 0.0018366200000000 ] - [ -0.0360606700000000, 0.0000000000000000, 0.0699843600000000 ] - [ -0.0082258100000000, 0.0000894400000000, 0.0060160400000000 ] - [ -0.0082258100000000, -0.0000894400000000, 0.0060160400000000 ] - [ 0.0080150700000000, 0.0000000000000000, -0.0058454800000000 ] - [ 0.0081068400000000, -0.0001223600000000, -0.0059522200000000 ] - [ 0.0081068400000000, 0.0001223600000000, -0.0059522200000000 ] - [ 0.0041407300000000, 0.0000000000000000, 0.0068997700000000 ] - [ 0.0023440800000000, 0.0012507800000000, 0.0061790400000000 ] - [ 0.0023440800000000, -0.0012507800000000, 0.0061790400000000 ] - [ -0.0070631200000000, 0.0000000000000000, 0.0005997000000000 ] - [ -0.0072722200000000, -0.0004374300000000, 0.0005176100000000 ] - [ -0.0072722200000000, 0.0004374300000000, 0.0005176100000000 ] - [ 0.0022611400000000, 0.0000000000000000, -0.0018072800000000 ] - [ 0.0025064300000000, -0.0000280400000000, -0.0016747100000000 ] - [ 0.0025064300000000, 0.0000280400000000, -0.0016747100000000 ] - [ 0.0057441500000000, 0.0013249800000000, -0.0004099700000000 ] - [ 0.0057441500000000, -0.0013249800000000, -0.0004099700000000 ] - [ 0.0067728900000000, 0.0000000000000000, -0.0005247100000000 ] - [ -0.0000619000000000, 0.0035942400000000, -0.0071878600000000 ] - [ -0.0000619000000000, -0.0035942400000000, -0.0071878600000000 ] - [ -0.0038515000000000, 0.0000000000000000, -0.0064449900000000 ] - [ -0.0027262500000000, 0.0002070600000000, 0.0016246400000000 ] - [ -0.0027262500000000, -0.0002070600000000, 0.0016246400000000 ] - [ -0.0025372000000000, 0.0000000000000000, 0.0016406200000000 ] - [ -0.0082060800000000, -0.0000059300000000, 0.0059585900000000 ] - [ -0.0082060800000000, 0.0000059300000000, 0.0059585900000000 ] - [ -0.0080461000000000, 0.0000000000000000, 0.0058752800000000 ] - [ 0.0082931200000000, -0.0000562200000000, -0.0056531900000000 ] - [ 0.0082931200000000, 0.0000562200000000, -0.0056531900000000 ] - [ 0.0085412600000000, 0.0000000000000000, -0.0051758800000000 ] - [ 0.0039634700000000, 0.0000995900000000, 0.0064395500000000 ] - [ 0.0039634700000000, -0.0000995900000000, 0.0064395500000000 ] - [ 0.0043174900000000, 0.0000000000000000, 0.0067165600000000 ] - [ -0.0054996800000000, -0.0009557200000000, 0.0002069800000000 ] - [ -0.0054996800000000, 0.0009557200000000, 0.0002069800000000 ] - [ -0.0068138700000000, 0.0000000000000000, 0.0005047300000000 ] - [ 0.0030663500000000, -0.0006164900000000, -0.0022260400000000 ] - [ 0.0030663500000000, 0.0006164900000000, -0.0022260400000000 ] - [ 0.0024254000000000, 0.0000000000000000, -0.0016171000000000 ] - [ 0.0000518300000000, -0.0003142500000000, -0.0020860700000000 ] - [ 0.0000518300000000, 0.0003142500000000, -0.0020860700000000 ] - [ 0.0002526900000000, 0.0000000000000000, -0.0020980000000000 ] - [ -0.0002482500000000, 0.0000204500000000, 0.0020440600000000 ] - [ -0.0002482500000000, -0.0000204500000000, 0.0020440600000000 ] - [ -0.0002455400000000, 0.0000000000000000, 0.0020076300000000 ] - [ -0.0019052800000000, 0.0000000000000000, -0.0043085600000000 ] - [ 0.0001229900000000, -0.0000698900000000, -0.0020009800000000 ] - [ 0.0001229900000000, 0.0000698900000000, -0.0020009800000000 ] - [ 0.0020568600000000, 0.0000000000000000, 0.0003418700000000 ] - [ -0.0001377100000000, -0.0000869000000000, 0.0019134000000000 ] - [ -0.0001377100000000, 0.0000869000000000, 0.0019134000000000 ]- atom: 85 displacement: [ 0.0099998524231531, 0.0000000000000000, 0.0000543278488306 ] forces: - [ 0.0017815800000000, 0.0025618000000000, -0.0034842000000000 ] - [ -0.0024472900000000, 0.0000000000000000, -0.0019434600000000 ] - [ 0.0017815800000000, -0.0025618000000000, -0.0034842000000000 ] - [ 0.0026072400000000, 0.0007493600000000, 0.0017702600000000 ] - [ 0.0030773600000000, 0.0000000000000000, 0.0016584300000000 ] - [ 0.0026072400000000, -0.0007493600000000, 0.0017702600000000 ] - [ -0.0036481400000000, 0.0000000000000000, -0.0019109900000000 ] - [ -0.0034333700000000, 0.0001009400000000, -0.0016199400000000 ] - [ -0.0034333700000000, -0.0001009400000000, -0.0016199400000000 ] - [ 0.0023651200000000, 0.0000000000000000, 0.0013677500000000 ] - [ 0.0026260800000000, -0.0011787900000000, 0.0023216200000000 ] - [ 0.0026260800000000, 0.0011787900000000, 0.0023216200000000 ] - [ 0.0029166900000000, 0.0000000000000000, -0.0001651800000000 ] - [ 0.0029529000000000, -0.0002453300000000, -0.0002552900000000 ] - [ 0.0029529000000000, 0.0002453300000000, -0.0002552900000000 ] - [ -0.0025878800000000, 0.0000000000000000, -0.0003848600000000 ] - [ -0.0025316400000000, 0.0002353200000000, -0.0003749200000000 ] - [ -0.0025316400000000, -0.0002353200000000, -0.0003749200000000 ] - [ -0.0085852900000000, 0.0000000000000000, 0.0034507500000000 ] - [ -0.0070794000000000, 0.0005019800000000, 0.0016193100000000 ] - [ -0.0070794000000000, -0.0005019800000000, 0.0016193100000000 ] - [ 0.0083638000000000, 0.0000000000000000, -0.0046489000000000 ] - [ 0.0079226700000000, -0.0001822600000000, -0.0016809900000000 ] - [ 0.0079226700000000, 0.0001822600000000, -0.0016809900000000 ] - [ 0.0018760000000000, 0.0006296900000000, -0.0000028800000000 ] - [ 0.0023725300000000, 0.0000000000000000, 0.0001553500000000 ] - [ 0.0018760000000000, -0.0006296900000000, -0.0000028800000000 ] - [ -0.0019967900000000, -0.0000030100000000, 0.0011861900000000 ] - [ -0.0024260100000000, 0.0000000000000000, 0.0004028500000000 ] - [ -0.0019967900000000, 0.0000030100000000, 0.0011861900000000 ] - [ -0.0079633900000000, 0.0000682400000000, 0.0010752500000000 ] - [ -0.0081305600000000, 0.0000000000000000, 0.0012050700000000 ] - [ -0.0079633900000000, -0.0000682400000000, 0.0010752500000000 ] - [ 0.0073296900000000, -0.0001102700000000, -0.0013941000000000 ] - [ 0.0074505000000000, 0.0000000000000000, -0.0011996500000000 ] - [ 0.0073296900000000, 0.0001102700000000, -0.0013941000000000 ] - [ 0.0061003000000000, 0.0007403300000000, -0.0017870300000000 ] - [ 0.0067963900000000, 0.0000000000000000, -0.0004259000000000 ] - [ 0.0061003000000000, -0.0007403300000000, -0.0017870300000000 ] - [ -0.0035601400000000, -0.0003436900000000, -0.0064086400000000 ] - [ -0.0039595200000000, 0.0000000000000000, -0.0065432600000000 ] - [ -0.0035601400000000, 0.0003436900000000, -0.0064086400000000 ] - [ 0.0012852100000000, 0.0030453000000000, 0.0026013000000000 ] - [ -0.0025811200000000, 0.0000000000000000, 0.0016081600000000 ] - [ 0.0012852100000000, -0.0030453000000000, 0.0026013000000000 ] - [ -0.0082669000000000, 0.0000997400000000, 0.0059995000000000 ] - [ -0.0081674700000000, 0.0000000000000000, 0.0058284500000000 ] - [ -0.0082669000000000, -0.0000997400000000, 0.0059995000000000 ] - [ 0.0082189900000000, -0.0000249700000000, -0.0058040100000000 ] - [ 0.0083766300000000, 0.0000000000000000, -0.0057187700000000 ] - [ 0.0082189900000000, 0.0000249700000000, -0.0058040100000000 ] - [ 0.0038880500000000, 0.0000623300000000, 0.0059608100000000 ] - [ 0.0037163700000000, 0.0000000000000000, 0.0061186900000000 ] - [ 0.0038880500000000, -0.0000623300000000, 0.0059608100000000 ] - [ -0.0065432200000000, -0.0008950900000000, 0.0004605300000000 ] - [ -0.0068902200000000, 0.0000000000000000, 0.0005070000000000 ] - [ -0.0065432200000000, 0.0008950900000000, 0.0004605300000000 ] - [ 0.0026866400000000, -0.0002657200000000, -0.0015283200000000 ] - [ 0.0025509800000000, 0.0000000000000000, -0.0016255800000000 ] - [ 0.0026866400000000, 0.0002657200000000, -0.0015283200000000 ] - [ 0.0069147600000000, 0.0000000000000000, -0.0005148200000000 ] - [ 0.0069281100000000, 0.0000168300000000, -0.0005709100000000 ] - [ 0.0069281100000000, -0.0000168300000000, -0.0005709100000000 ] - [ -0.0041352900000000, 0.0000000000000000, -0.0066405100000000 ] - [ -0.0041953500000000, -0.0000617200000000, -0.0064286900000000 ] - [ -0.0041953500000000, 0.0000617200000000, -0.0064286900000000 ] - [ -0.0019464500000000, 0.0000000000000000, 0.0019628400000000 ] - [ -0.0023475000000000, -0.0001274000000000, 0.0017031700000000 ] - [ -0.0023475000000000, 0.0001274000000000, 0.0017031700000000 ] - [ -0.0084910900000000, 0.0000000000000000, 0.0081420400000000 ] - [ -0.0083621900000000, 0.0001806400000000, 0.0058669900000000 ] - [ -0.0083621900000000, -0.0001806400000000, 0.0058669900000000 ] - [ 0.0083416200000000, 0.0000000000000000, -0.0083619200000000 ] - [ 0.0080402200000000, 0.0000342000000000, -0.0060317200000000 ] - [ 0.0080402200000000, -0.0000342000000000, -0.0060317200000000 ] - [ 0.0041656200000000, 0.0000000000000000, 0.0066503600000000 ] - [ 0.0042368600000000, -0.0001310000000000, 0.0067226300000000 ] - [ 0.0042368600000000, 0.0001310000000000, 0.0067226300000000 ] - [ -0.0065528300000000, 0.0000000000000000, 0.0006598100000000 ] - [ -0.0061937200000000, 0.0003425400000000, 0.0006623200000000 ] - [ -0.0061937200000000, -0.0003425400000000, 0.0006623200000000 ] - [ 0.0061277000000000, 0.0000000000000000, -0.0049054900000000 ] - [ 0.0027191800000000, 0.0007423700000000, -0.0021953600000000 ] - [ 0.0027191800000000, -0.0007423700000000, -0.0021953600000000 ] - [ -0.0233206700000000, 0.0000000000000000, 0.0061420900000000 ] - [ -0.0002619800000000, -0.0004245300000000, -0.0019049600000000 ] - [ -0.0002619800000000, 0.0004245300000000, -0.0019049600000000 ] - [ 0.0027302300000000, 0.0000000000000000, 0.0018808900000000 ] - [ -0.0001584000000000, -0.0001489500000000, 0.0020258900000000 ] - [ -0.0001584000000000, 0.0001489500000000, 0.0020258900000000 ] - [ 0.0003701000000000, -0.0000560700000000, -0.0020017200000000 ] - [ 0.0002936300000000, 0.0000000000000000, -0.0020537000000000 ] - [ 0.0003701000000000, 0.0000560700000000, -0.0020017200000000 ] - [ 0.0000187400000000, 0.0001051200000000, 0.0021149800000000 ] - [ -0.0000792200000000, 0.0000000000000000, 0.0020683300000000 ] - [ 0.0000187400000000, -0.0001051200000000, 0.0021149800000000 ]- atom: 85 displacement: [ -0.0099998524231531, 0.0000000000000000, -0.0000543278488306 ] forces: - [ -0.0080736800000000, -0.0023155700000000, 0.0000657500000000 ] - [ -0.0040238800000000, 0.0000000000000000, -0.0013393900000000 ] - [ -0.0080736800000000, 0.0023155700000000, 0.0000657500000000 ] - [ 0.0038742800000000, -0.0007578200000000, 0.0015093900000000 ] - [ 0.0033973100000000, 0.0000000000000000, 0.0016232800000000 ] - [ 0.0038742800000000, 0.0007578200000000, 0.0015093900000000 ] - [ -0.0028266100000000, 0.0000000000000000, -0.0013698300000000 ] - [ -0.0030408100000000, -0.0001021100000000, -0.0016623500000000 ] - [ -0.0030408100000000, 0.0001021100000000, -0.0016623500000000 ] - [ 0.0041132400000000, 0.0000000000000000, 0.0019058900000000 ] - [ 0.0038511700000000, 0.0011752700000000, 0.0009649700000000 ] - [ 0.0038511700000000, -0.0011752700000000, 0.0009649700000000 ] - [ 0.0018010100000000, 0.0000000000000000, 0.0004169400000000 ] - [ 0.0017594500000000, 0.0002437300000000, 0.0004911000000000 ] - [ 0.0017594500000000, -0.0002437300000000, 0.0004911000000000 ] - [ -0.0021237400000000, 0.0000000000000000, 0.0001514700000000 ] - [ -0.0021808100000000, -0.0002364000000000, 0.0001401500000000 ] - [ -0.0021808100000000, 0.0002364000000000, 0.0001401500000000 ] - [ -0.0064088400000000, 0.0000000000000000, -0.0008911800000000 ] - [ -0.0078999000000000, -0.0005066200000000, 0.0009313100000000 ] - [ -0.0078999000000000, 0.0005066200000000, 0.0009313100000000 ] - [ 0.0065652400000000, 0.0000000000000000, 0.0020777300000000 ] - [ 0.0070385900000000, 0.0001866500000000, -0.0008717300000000 ] - [ 0.0070385900000000, -0.0001866500000000, -0.0008717300000000 ] - [ 0.0028345800000000, -0.0006314500000000, 0.0002364300000000 ] - [ 0.0023352900000000, 0.0000000000000000, 0.0000788700000000 ] - [ 0.0028345800000000, 0.0006314500000000, 0.0002364300000000 ] - [ -0.0027207800000000, -0.0000125100000000, -0.0014160700000000 ] - [ -0.0022830000000000, 0.0000000000000000, -0.0006392300000000 ] - [ -0.0027207800000000, 0.0000125100000000, -0.0014160700000000 ] - [ -0.0070093200000000, -0.0000669400000000, 0.0014755100000000 ] - [ -0.0068430200000000, 0.0000000000000000, 0.0013470700000000 ] - [ -0.0070093200000000, 0.0000669400000000, 0.0014755100000000 ] - [ 0.0076429100000000, 0.0001100900000000, -0.0011577100000000 ] - [ 0.0075217800000000, 0.0000000000000000, -0.0013524200000000 ] - [ 0.0076429100000000, -0.0001100900000000, -0.0011577100000000 ] - [ 0.0075910200000000, -0.0007527200000000, 0.0006589500000000 ] - [ 0.0068960000000000, 0.0000000000000000, -0.0007224800000000 ] - [ 0.0075910200000000, 0.0007527200000000, 0.0006589500000000 ] - [ -0.0043761500000000, 0.0003450800000000, -0.0066109200000000 ] - [ -0.0039746700000000, 0.0000000000000000, -0.0064768400000000 ] - [ -0.0043761500000000, -0.0003450800000000, -0.0066109200000000 ] - [ -0.0061409300000000, -0.0030037700000000, 0.0008186100000000 ] - [ -0.0023111600000000, 0.0000000000000000, 0.0017869600000000 ] - [ -0.0061409300000000, 0.0030037700000000, 0.0008186100000000 ] - [ -0.0080095700000000, -0.0000991500000000, 0.0058217100000000 ] - [ -0.0081081000000000, 0.0000000000000000, 0.0059932200000000 ] - [ -0.0080095700000000, 0.0000991500000000, 0.0058217100000000 ] - [ 0.0080572200000000, 0.0000253900000000, -0.0060176300000000 ] - [ 0.0079002800000000, 0.0000000000000000, -0.0061032400000000 ] - [ 0.0080572200000000, -0.0000253900000000, -0.0060176300000000 ] - [ 0.0040541200000000, -0.0000614200000000, 0.0070520800000000 ] - [ 0.0042212400000000, 0.0000000000000000, 0.0069045200000000 ] - [ 0.0040541200000000, 0.0000614200000000, 0.0070520800000000 ] - [ -0.0071535100000000, 0.0009075200000000, 0.0006890900000000 ] - [ -0.0068003400000000, 0.0000000000000000, 0.0006429400000000 ] - [ -0.0071535100000000, -0.0009075200000000, 0.0006890900000000 ] - [ 0.0022019800000000, 0.0002681400000000, -0.0018687500000000 ] - [ 0.0023405000000000, 0.0000000000000000, -0.0017707300000000 ] - [ 0.0022019800000000, -0.0002681400000000, -0.0018687500000000 ] - [ 0.0067755600000000, 0.0000000000000000, -0.0006351300000000 ] - [ 0.0067621900000000, -0.0000165100000000, -0.0005797500000000 ] - [ 0.0067621900000000, 0.0000165100000000, -0.0005797500000000 ] - [ -0.0038017400000000, 0.0000000000000000, -0.0063858800000000 ] - [ -0.0037409600000000, 0.0000625900000000, -0.0065932600000000 ] - [ -0.0037409600000000, -0.0000625900000000, -0.0065932600000000 ] - [ -0.0029476700000000, 0.0000000000000000, 0.0014363300000000 ] - [ -0.0025441600000000, 0.0001283500000000, 0.0016939000000000 ] - [ -0.0025441600000000, -0.0001283500000000, 0.0016939000000000 ] - [ -0.0077773300000000, 0.0000000000000000, 0.0036691800000000 ] - [ -0.0079106500000000, -0.0001828000000000, 0.0059565100000000 ] - [ -0.0079106500000000, 0.0001828000000000, 0.0059565100000000 ] - [ 0.0079322600000000, 0.0000000000000000, -0.0034175200000000 ] - [ 0.0082362500000000, -0.0000340500000000, -0.0057909900000000 ] - [ 0.0082362500000000, 0.0000340500000000, -0.0057909900000000 ] - [ 0.0037730500000000, 0.0000000000000000, 0.0063721200000000 ] - [ 0.0037029200000000, 0.0001315400000000, 0.0062994400000000 ] - [ 0.0037029200000000, -0.0001315400000000, 0.0062994400000000 ] - [ -0.0071409300000000, 0.0000000000000000, 0.0004901500000000 ] - [ -0.0074945600000000, -0.0003413000000000, 0.0004885800000000 ] - [ -0.0074945600000000, 0.0003413000000000, 0.0004885800000000 ] - [ -0.0011621000000000, 0.0000000000000000, 0.0014596800000000 ] - [ 0.0021686800000000, -0.0007458800000000, -0.0012019400000000 ] - [ 0.0021686800000000, 0.0007458800000000, -0.0012019400000000 ] - [ 0.0233555000000000, 0.0000000000000000, -0.0100423700000000 ] - [ 0.0006538000000000, 0.0004129300000000, -0.0022025800000000 ] - [ 0.0006538000000000, -0.0004129300000000, -0.0022025800000000 ] - [ -0.0031987700000000, 0.0000000000000000, 0.0022233900000000 ] - [ -0.0002322400000000, 0.0001504900000000, 0.0020832700000000 ] - [ -0.0002322400000000, -0.0001504900000000, 0.0020832700000000 ] - [ 0.0000204000000000, 0.0000562000000000, -0.0021073400000000 ] - [ 0.0000965700000000, 0.0000000000000000, -0.0020557000000000 ] - [ 0.0000204000000000, -0.0000562000000000, -0.0021073400000000 ] - [ -0.0004111900000000, -0.0001045700000000, 0.0019950900000000 ] - [ -0.0003136300000000, 0.0000000000000000, 0.0020405600000000 ] - [ -0.0004111900000000, 0.0001045700000000, 0.0019950900000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0034713700000000, 0.0021738700000000, -0.0014045600000000 ] - [ -0.0032491000000000, -0.0016375100000000, -0.0016342400000000 ] - [ -0.0027916400000000, 0.0019592200000000, -0.0019945200000000 ] - [ 0.0032509500000000, 0.0001449000000000, 0.0016491100000000 ] - [ 0.0032374500000000, -0.0001603500000000, 0.0016401900000000 ] - [ 0.0032212300000000, 0.0001404700000000, 0.0016313500000000 ] - [ -0.0032389900000000, 0.0000132100000000, -0.0016411300000000 ] - [ -0.0032603500000000, -0.0000022300000000, -0.0016070900000000 ] - [ -0.0032156200000000, -0.0000027800000000, -0.0016738700000000 ] - [ 0.0032378000000000, 0.0017054400000000, 0.0016465300000000 ] - [ 0.0026568000000000, -0.0012439400000000, 0.0021749200000000 ] - [ 0.0038179800000000, -0.0012432700000000, 0.0011110500000000 ] - [ 0.0023589500000000, 0.0008867700000000, 0.0001189600000000 ] - [ 0.0024774500000000, -0.0004742500000000, -0.0002030600000000 ] - [ 0.0022356400000000, -0.0004740700000000, 0.0004360600000000 ] - [ -0.0023555600000000, -0.0000084600000000, -0.0001184100000000 ] - [ -0.0024992300000000, -0.0000032600000000, -0.0000920900000000 ] - [ -0.0022112500000000, -0.0000043800000000, -0.0001443700000000 ] - [ -0.0074946000000000, 0.0009505900000000, 0.0012859500000000 ] - [ -0.0071388300000000, -0.0001609900000000, 0.0010052300000000 ] - [ -0.0078278900000000, -0.0001638200000000, 0.0015415900000000 ] - [ 0.0074873300000000, 0.0031148300000000, -0.0012855300000000 ] - [ 0.0086102900000000, -0.0012286900000000, -0.0008455100000000 ] - [ 0.0063671800000000, -0.0012276100000000, -0.0016996700000000 ] - [ 0.0024679800000000, 0.0001989700000000, 0.0002074900000000 ] - [ 0.0023556400000000, -0.0005571700000000, 0.0001179800000000 ] - [ 0.0022415900000000, 0.0001964300000000, 0.0000278300000000 ] - [ -0.0023087600000000, 0.0003045100000000, -0.0005364100000000 ] - [ -0.0023549600000000, -0.0006846300000000, -0.0001181600000000 ] - [ -0.0023967700000000, 0.0002967400000000, 0.0002994700000000 ] - [ -0.0076758800000000, 0.0001461800000000, 0.0011345400000000 ] - [ -0.0074866500000000, -0.0004609600000000, 0.0012757400000000 ] - [ -0.0072978200000000, 0.0001471000000000, 0.0014171100000000 ] - [ 0.0074752200000000, 0.0000323600000000, -0.0014253900000000 ] - [ 0.0074863800000000, -0.0000986300000000, -0.0012751400000000 ] - [ 0.0074976600000000, 0.0000324400000000, -0.0011260000000000 ] - [ 0.0061718800000000, 0.0016068300000000, -0.0052597600000000 ] - [ 0.0068449200000000, 0.0002802300000000, -0.0005775200000000 ] - [ 0.0075150100000000, 0.0016035100000000, 0.0040623500000000 ] - [ -0.0038956700000000, -0.0001805800000000, -0.0064168800000000 ] - [ -0.0039692800000000, 0.0003721800000000, -0.0065113600000000 ] - [ -0.0040405400000000, -0.0001781000000000, -0.0066047800000000 ] - [ 0.0015663200000000, 0.0018326100000000, 0.0025557400000000 ] - [ -0.0024433100000000, 0.0005607500000000, 0.0016982600000000 ] - [ -0.0064196100000000, 0.0018288400000000, 0.0008635200000000 ] - [ -0.0083289500000000, 0.0000010900000000, 0.0061601700000000 ] - [ -0.0081388700000000, 0.0000746900000000, 0.0059109000000000 ] - [ -0.0079491900000000, 0.0000013800000000, 0.0056620400000000 ] - [ 0.0081765400000000, 0.0000109200000000, -0.0058662100000000 ] - [ 0.0081388000000000, 0.0000733000000000, -0.0059110800000000 ] - [ 0.0081010100000000, 0.0000109600000000, -0.0059557400000000 ] - [ 0.0036915700000000, -0.0000689200000000, 0.0073120800000000 ] - [ 0.0039679900000000, 0.0001419900000000, 0.0065110400000000 ] - [ 0.0042435600000000, -0.0000702400000000, 0.0057211700000000 ] - [ -0.0067275000000000, -0.0001969500000000, 0.0005671500000000 ] - [ -0.0068452600000000, 0.0001108600000000, 0.0005747400000000 ] - [ -0.0069579400000000, -0.0001880300000000, 0.0005816600000000 ] - [ 0.0024853900000000, -0.0000676800000000, -0.0017167300000000 ] - [ 0.0024456300000000, 0.0000459600000000, -0.0016978100000000 ] - [ 0.0024068600000000, -0.0000659300000000, -0.0016784000000000 ] - [ 0.0068451400000000, -0.0000240800000000, -0.0005747200000000 ] - [ 0.0068458900000000, 0.0000122900000000, -0.0005548100000000 ] - [ 0.0068443200000000, 0.0000124500000000, -0.0005950300000000 ] - [ -0.0039692700000000, -0.0001000000000000, -0.0065111400000000 ] - [ -0.0040352200000000, 0.0000874200000000, -0.0064050700000000 ] - [ -0.0039035800000000, 0.0000876100000000, -0.0066165300000000 ] - [ -0.0024436800000000, 0.0000048500000000, 0.0016985600000000 ] - [ -0.0024974200000000, 0.0000089200000000, 0.0016804600000000 ] - [ -0.0023923800000000, 0.0000097600000000, 0.0017155200000000 ] - [ -0.0081403000000000, -0.0004524700000000, 0.0059167300000000 ] - [ -0.0085444100000000, 0.0004109400000000, 0.0056018300000000 ] - [ -0.0077325700000000, 0.0004111100000000, 0.0062193800000000 ] - [ 0.0081396400000000, 0.0001663900000000, -0.0059199000000000 ] - [ 0.0082009200000000, 0.0001149500000000, -0.0057752700000000 ] - [ 0.0080754500000000, 0.0001162900000000, -0.0060448600000000 ] - [ 0.0039689900000000, -0.0000575200000000, 0.0065115500000000 ] - [ 0.0041395100000000, 0.0000776500000000, 0.0064790200000000 ] - [ 0.0037988100000000, 0.0000778700000000, 0.0065441900000000 ] - [ -0.0068435100000000, -0.0003152400000000, 0.0005746900000000 ] - [ -0.0062405500000000, 0.0003752200000000, 0.0005905900000000 ] - [ -0.0074480000000000, 0.0003746500000000, 0.0005588100000000 ] - [ 0.0024348900000000, -0.0009833500000000, -0.0016952500000000 ] - [ 0.0028795000000000, 0.0009737300000000, -0.0019586500000000 ] - [ 0.0020058400000000, 0.0009823100000000, -0.0014340900000000 ] - [ -0.0000509200000000, -0.0171727900000000, -0.0019372000000000 ] - [ 0.0006177600000000, 0.0025765500000000, -0.0024032500000000 ] - [ -0.0002234300000000, 0.0025167500000000, -0.0017116700000000 ] - [ -0.0001882300000000, -0.0005038500000000, 0.0020551700000000 ] - [ -0.0003454200000000, 0.0000304100000000, 0.0021024700000000 ] - [ -0.0000454900000000, 0.0000310700000000, 0.0020089100000000 ] - [ 0.0002507900000000, -0.0000137100000000, -0.0019789500000000 ] - [ 0.0001950000000000, 0.0000342000000000, -0.0020550400000000 ] - [ 0.0001394000000000, -0.0000136700000000, -0.0021308000000000 ] - [ -0.0000897600000000, -0.0000866100000000, 0.0019734600000000 ] - [ -0.0001951200000000, 0.0001688500000000, 0.0020546900000000 ] - [ -0.0003001800000000, -0.0000856100000000, 0.0021357700000000 ]- atom: 85 displacement: [ -0.0048805429774377, 0.0000000000000000, 0.0087281326894922 ] forces: - [ -0.0078473300000000, -0.0033014800000000, 0.0020773300000000 ] - [ -0.0037355900000000, 0.0000000000000000, -0.0011601000000000 ] - [ -0.0078473300000000, 0.0033014800000000, 0.0020773300000000 ] - [ 0.0039659300000000, -0.0004404600000000, 0.0016632300000000 ] - [ 0.0034985000000000, 0.0000000000000000, 0.0016673400000000 ] - [ 0.0039659300000000, 0.0004404600000000, 0.0016632300000000 ] - [ -0.0032321500000000, 0.0000000000000000, -0.0017465000000000 ] - [ -0.0032369000000000, -0.0000226700000000, -0.0017152000000000 ] - [ -0.0032369000000000, 0.0000226700000000, -0.0017152000000000 ] - [ 0.0031399800000000, 0.0000000000000000, 0.0021406900000000 ] - [ 0.0030605200000000, 0.0001375100000000, 0.0016018400000000 ] - [ 0.0030605200000000, -0.0001375100000000, 0.0016018400000000 ] - [ 0.0011024000000000, 0.0000000000000000, -0.0010458100000000 ] - [ 0.0019323500000000, -0.0001489900000000, 0.0002060700000000 ] - [ 0.0019323500000000, 0.0001489900000000, 0.0002060700000000 ] - [ -0.0024732300000000, 0.0000000000000000, 0.0000327100000000 ] - [ -0.0026282700000000, 0.0000336300000000, -0.0000059000000000 ] - [ -0.0026282700000000, -0.0000336300000000, -0.0000059000000000 ] - [ -0.0056147800000000, 0.0000000000000000, -0.0006357400000000 ] - [ -0.0075747800000000, -0.0005517900000000, 0.0010826400000000 ] - [ -0.0075747800000000, 0.0005517900000000, 0.0010826400000000 ] - [ 0.0062608500000000, 0.0000000000000000, 0.0006062000000000 ] - [ 0.0066589000000000, 0.0008659100000000, -0.0006037400000000 ] - [ 0.0066589000000000, -0.0008659100000000, -0.0006037400000000 ] - [ 0.0020389500000000, 0.0002486600000000, -0.0002014900000000 ] - [ 0.0020473200000000, 0.0000000000000000, -0.0000379100000000 ] - [ 0.0020389500000000, -0.0002486600000000, -0.0002014900000000 ] - [ -0.0024737200000000, -0.0000266400000000, -0.0016911200000000 ] - [ -0.0021707200000000, 0.0000000000000000, -0.0003518700000000 ] - [ -0.0024737200000000, 0.0000266400000000, -0.0016911200000000 ] - [ -0.0075613700000000, -0.0000446400000000, 0.0012388800000000 ] - [ -0.0076053600000000, 0.0000000000000000, 0.0011402900000000 ] - [ -0.0075613700000000, 0.0000446400000000, 0.0012388800000000 ] - [ 0.0074142400000000, 0.0000504900000000, -0.0013548500000000 ] - [ 0.0073115700000000, 0.0000000000000000, -0.0014451700000000 ] - [ 0.0074142400000000, -0.0000504900000000, -0.0013548500000000 ] - [ 0.0074384300000000, -0.0025193300000000, 0.0032931400000000 ] - [ 0.0066932100000000, 0.0000000000000000, -0.0008366100000000 ] - [ 0.0074384300000000, 0.0025193300000000, 0.0032931400000000 ] - [ -0.0035901500000000, -0.0003102000000000, -0.0062901200000000 ] - [ -0.0037226800000000, 0.0000000000000000, -0.0063195800000000 ] - [ -0.0035901500000000, 0.0003102000000000, -0.0062901200000000 ] - [ -0.0029508400000000, -0.0003801700000000, 0.0012073000000000 ] - [ -0.0022373300000000, 0.0000000000000000, 0.0018122000000000 ] - [ -0.0029508400000000, 0.0003801700000000, 0.0012073000000000 ] - [ -0.0080217500000000, 0.0000425500000000, 0.0059292700000000 ] - [ -0.0080414900000000, 0.0000000000000000, 0.0060411700000000 ] - [ -0.0080217500000000, -0.0000425500000000, 0.0059292700000000 ] - [ 0.0082022100000000, 0.0000204500000000, -0.0058928900000000 ] - [ 0.0082403200000000, 0.0000000000000000, -0.0058331900000000 ] - [ 0.0082022100000000, -0.0000204500000000, -0.0058928900000000 ] - [ 0.0036617100000000, 0.0000456400000000, 0.0079863100000000 ] - [ 0.0038871800000000, 0.0000000000000000, 0.0067547100000000 ] - [ 0.0036617100000000, -0.0000456400000000, 0.0079863100000000 ] - [ -0.0075336100000000, 0.0010300200000000, 0.0005231400000000 ] - [ -0.0069595300000000, 0.0000000000000000, 0.0005554300000000 ] - [ -0.0075336100000000, -0.0010300200000000, 0.0005231400000000 ] - [ 0.0022545400000000, 0.0000697100000000, -0.0016638000000000 ] - [ 0.0024482800000000, 0.0000000000000000, -0.0017047300000000 ] - [ 0.0022545400000000, -0.0000697100000000, -0.0016638000000000 ] - [ 0.0068864100000000, 0.0000000000000000, -0.0005650000000000 ] - [ 0.0069022700000000, -0.0000240600000000, -0.0004898700000000 ] - [ 0.0069022700000000, 0.0000240600000000, -0.0004898700000000 ] - [ -0.0038074000000000, 0.0000000000000000, -0.0061838700000000 ] - [ -0.0037285700000000, 0.0001486300000000, -0.0064220100000000 ] - [ -0.0037285700000000, -0.0001486300000000, -0.0064220100000000 ] - [ -0.0025844200000000, 0.0000000000000000, 0.0020188000000000 ] - [ -0.0026190800000000, 0.0000684600000000, 0.0017016200000000 ] - [ -0.0026190800000000, -0.0000684600000000, 0.0017016200000000 ] - [ -0.0078617900000000, 0.0000000000000000, 0.0071561600000000 ] - [ -0.0077169000000000, -0.0004160500000000, 0.0060530800000000 ] - [ -0.0077169000000000, 0.0004160500000000, 0.0060530800000000 ] - [ 0.0079802600000000, 0.0000000000000000, -0.0029691800000000 ] - [ 0.0080859700000000, -0.0000065200000000, -0.0057644500000000 ] - [ 0.0080859700000000, 0.0000065200000000, -0.0057644500000000 ] - [ 0.0040925300000000, 0.0000000000000000, 0.0065029400000000 ] - [ 0.0042826400000000, 0.0000233300000000, 0.0065413200000000 ] - [ 0.0042826400000000, -0.0000233300000000, 0.0065413200000000 ] - [ -0.0068009400000000, 0.0000000000000000, 0.0006123300000000 ] - [ -0.0067710400000000, -0.0000330000000000, 0.0006386900000000 ] - [ -0.0067710400000000, 0.0000330000000000, 0.0006386900000000 ] - [ -0.0012070200000000, 0.0000000000000000, 0.0010791700000000 ] - [ 0.0019938700000000, -0.0004857600000000, -0.0014592500000000 ] - [ 0.0019938700000000, 0.0004857600000000, -0.0014592500000000 ] - [ 0.0186375600000000, 0.0000000000000000, -0.0250837600000000 ] - [ 0.0005509300000000, 0.0005011100000000, -0.0024009100000000 ] - [ 0.0005509300000000, -0.0005011100000000, -0.0024009100000000 ] - [ -0.0017936200000000, 0.0000000000000000, 0.0021565600000000 ] - [ -0.0002382600000000, 0.0001144400000000, 0.0020250800000000 ] - [ -0.0002382600000000, -0.0001144400000000, 0.0020250800000000 ] - [ 0.0001557000000000, -0.0000392100000000, -0.0020583000000000 ] - [ 0.0001473900000000, 0.0000000000000000, -0.0020050600000000 ] - [ 0.0001557000000000, 0.0000392100000000, -0.0020583000000000 ] - [ -0.0002484400000000, -0.0001211900000000, 0.0020218800000000 ] - [ -0.0002420100000000, 0.0000000000000000, 0.0020935500000000 ] - [ -0.0002484400000000, 0.0001211900000000, 0.0020218800000000 ]- atom: 85 displacement: [ 0.0048805429774377, 0.0000000000000000, -0.0087281326894922 ] forces: - [ 0.0015977200000000, 0.0035694300000000, -0.0054443800000000 ] - [ -0.0027335400000000, 0.0000000000000000, -0.0021259600000000 ] - [ 0.0015977200000000, -0.0035694300000000, -0.0054443800000000 ] - [ 0.0025131300000000, 0.0004415500000000, 0.0016246000000000 ] - [ 0.0029767900000000, 0.0000000000000000, 0.0016166600000000 ] - [ 0.0025131300000000, -0.0004415500000000, 0.0016246000000000 ] - [ -0.0032445300000000, 0.0000000000000000, -0.0015353900000000 ] - [ -0.0032390000000000, 0.0000229100000000, -0.0015661100000000 ] - [ -0.0032390000000000, -0.0000229100000000, -0.0015661100000000 ] - [ 0.0033465700000000, 0.0000000000000000, 0.0011270800000000 ] - [ 0.0034235100000000, -0.0001298400000000, 0.0016725300000000 ] - [ 0.0034235100000000, 0.0001298400000000, 0.0016725300000000 ] - [ 0.0035922500000000, 0.0000000000000000, 0.0012821800000000 ] - [ 0.0027699400000000, 0.0001477400000000, 0.0000352900000000 ] - [ 0.0027699400000000, -0.0001477400000000, 0.0000352900000000 ] - [ -0.0022393300000000, 0.0000000000000000, -0.0002670600000000 ] - [ -0.0020845600000000, -0.0000327700000000, -0.0002287600000000 ] - [ -0.0020845600000000, 0.0000327700000000, -0.0002287600000000 ] - [ -0.0093924500000000, 0.0000000000000000, 0.0032145400000000 ] - [ -0.0074045300000000, 0.0005441500000000, 0.0014716900000000 ] - [ -0.0074045300000000, -0.0005441500000000, 0.0014716900000000 ] - [ 0.0086490000000000, 0.0000000000000000, -0.0032782400000000 ] - [ 0.0083120300000000, -0.0008631600000000, -0.0019552700000000 ] - [ 0.0083120300000000, 0.0008631600000000, -0.0019552700000000 ] - [ 0.0026736700000000, -0.0002458900000000, 0.0004331200000000 ] - [ 0.0026666300000000, 0.0000000000000000, 0.0002724000000000 ] - [ 0.0026736700000000, 0.0002458900000000, 0.0004331200000000 ] - [ -0.0022419500000000, 0.0000143900000000, 0.0014449000000000 ] - [ -0.0025397800000000, 0.0000000000000000, 0.0001120000000000 ] - [ -0.0022419500000000, -0.0000143900000000, 0.0014449000000000 ] - [ -0.0074075200000000, 0.0000448300000000, 0.0013123100000000 ] - [ -0.0073626700000000, 0.0000000000000000, 0.0014096600000000 ] - [ -0.0074075200000000, -0.0000448300000000, 0.0013123100000000 ] - [ 0.0075559000000000, -0.0000502300000000, -0.0011973300000000 ] - [ 0.0076565500000000, 0.0000000000000000, -0.0011085300000000 ] - [ 0.0075559000000000, 0.0000502300000000, -0.0011973300000000 ] - [ 0.0062427400000000, 0.0025611200000000, -0.0044842500000000 ] - [ 0.0069972400000000, 0.0000000000000000, -0.0003124600000000 ] - [ 0.0062427400000000, -0.0025611200000000, -0.0044842500000000 ] - [ -0.0043446900000000, 0.0003074200000000, -0.0067295000000000 ] - [ -0.0042137500000000, 0.0000000000000000, -0.0067021800000000 ] - [ -0.0043446900000000, -0.0003074200000000, -0.0067295000000000 ] - [ -0.0019672000000000, 0.0003662300000000, 0.0021900800000000 ] - [ -0.0026554000000000, 0.0000000000000000, 0.0015852400000000 ] - [ -0.0019672000000000, -0.0003662300000000, 0.0021900800000000 ] - [ -0.0082524900000000, -0.0000425800000000, 0.0058918300000000 ] - [ -0.0082327100000000, 0.0000000000000000, 0.0057823900000000 ] - [ -0.0082524900000000, 0.0000425800000000, 0.0058918300000000 ] - [ 0.0080739300000000, -0.0000202400000000, -0.0059292400000000 ] - [ 0.0080352100000000, 0.0000000000000000, -0.0059885200000000 ] - [ 0.0080739300000000, 0.0000202400000000, -0.0059292400000000 ] - [ 0.0042732800000000, -0.0000388400000000, 0.0050637900000000 ] - [ 0.0040536600000000, 0.0000000000000000, 0.0062687600000000 ] - [ 0.0042732800000000, 0.0000388400000000, 0.0050637900000000 ] - [ -0.0061718300000000, -0.0010075100000000, 0.0006225900000000 ] - [ -0.0067321400000000, 0.0000000000000000, 0.0005936600000000 ] - [ -0.0061718300000000, 0.0010075100000000, 0.0006225900000000 ] - [ 0.0026367800000000, -0.0000698000000000, -0.0017327400000000 ] - [ 0.0024437200000000, 0.0000000000000000, -0.0016926200000000 ] - [ 0.0026367800000000, 0.0000698000000000, -0.0017327400000000 ] - [ 0.0068049900000000, 0.0000000000000000, -0.0005850300000000 ] - [ 0.0067902200000000, 0.0000231400000000, -0.0006600200000000 ] - [ 0.0067902200000000, -0.0000231400000000, -0.0006600200000000 ] - [ -0.0041275200000000, 0.0000000000000000, -0.0068391000000000 ] - [ -0.0042027200000000, -0.0001448700000000, -0.0065990800000000 ] - [ -0.0042027200000000, 0.0001448700000000, -0.0065990800000000 ] - [ -0.0023072600000000, 0.0000000000000000, 0.0013784000000000 ] - [ -0.0022737300000000, -0.0000681100000000, 0.0016933100000000 ] - [ -0.0022737300000000, 0.0000681100000000, 0.0016933100000000 ] - [ -0.0084174000000000, 0.0000000000000000, 0.0046705400000000 ] - [ -0.0085604100000000, 0.0004161200000000, 0.0057685800000000 ] - [ -0.0085604100000000, -0.0004161200000000, 0.0057685800000000 ] - [ 0.0082916800000000, 0.0000000000000000, -0.0087831800000000 ] - [ 0.0081894800000000, 0.0000080900000000, -0.0060569800000000 ] - [ 0.0081894800000000, -0.0000080900000000, -0.0060569800000000 ] - [ 0.0038445500000000, 0.0000000000000000, 0.0065190200000000 ] - [ 0.0036535400000000, -0.0000246100000000, 0.0064795400000000 ] - [ 0.0036535400000000, 0.0000246100000000, 0.0064795400000000 ] - [ -0.0068935100000000, 0.0000000000000000, 0.0005380900000000 ] - [ -0.0069249100000000, 0.0000306100000000, 0.0005119400000000 ] - [ -0.0069249100000000, -0.0000306100000000, 0.0005119400000000 ] - [ 0.0061654800000000, 0.0000000000000000, -0.0044928300000000 ] - [ 0.0028923600000000, 0.0004831400000000, -0.0019331500000000 ] - [ 0.0028923600000000, -0.0004831400000000, -0.0019331500000000 ] - [ -0.0185269500000000, 0.0000000000000000, 0.0212560700000000 ] - [ -0.0001598000000000, -0.0005130400000000, -0.0017077600000000 ] - [ -0.0001598000000000, 0.0005130400000000, -0.0017077600000000 ] - [ 0.0014002800000000, 0.0000000000000000, 0.0019465800000000 ] - [ -0.0001520100000000, -0.0001136900000000, 0.0020830800000000 ] - [ -0.0001520100000000, 0.0001136900000000, 0.0020830800000000 ] - [ 0.0002339100000000, 0.0000389500000000, -0.0020513300000000 ] - [ 0.0002420000000000, 0.0000000000000000, -0.0021040400000000 ] - [ 0.0002339100000000, -0.0000389500000000, -0.0020513300000000 ] - [ -0.0001431500000000, 0.0001233600000000, 0.0020894900000000 ] - [ -0.0001509400000000, 0.0000000000000000, 0.0020163400000000 ] - [ -0.0001431500000000, -0.0001233600000000, 0.0020894900000000 ]