# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/5ae2872e-4058-4ab3-bc5d-958a365ee915/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 LiBH4 / P6_3mc (186) / materials id 644223](https://mdr.nims.go.jp/datasets/47c7b0e0-5778-4ea1-8594-e1e18058cfaf) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P6_3mc" number: 186 Hall_symbol: "P 6c -2c"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 4.142395020000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.071197510000000, 3.587419320000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 7.174968820000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.666666670000000, 0.333333330000000, 0.397217040000000 ] mass: 6.941000 - symbol: Li # 2 coordinates: [ 0.333333330000000, 0.666666670000000, 0.897217040000000 ] mass: 6.941000 - symbol: B # 3 coordinates: [ 0.666666670000000, 0.333333330000000, 0.962338740000000 ] mass: 10.811000 - symbol: B # 4 coordinates: [ 0.333333330000000, 0.666666670000000, 0.462338740000000 ] mass: 10.811000 - symbol: H # 5 coordinates: [ 0.666666670000000, 0.333333330000000, 0.132507890000000 ] mass: 1.007940 - symbol: H # 6 coordinates: [ 0.333333330000000, 0.666666670000000, 0.632507890000000 ] mass: 1.007940 - symbol: H # 7 coordinates: [ 0.827574020000000, 0.655148020000000, 0.904319920000000 ] mass: 1.007940 - symbol: H # 8 coordinates: [ 0.827574020000000, 0.172425980000000, 0.904319920000000 ] mass: 1.007940 - symbol: H # 9 coordinates: [ 0.344851980000000, 0.172425980000000, 0.904319920000000 ] mass: 1.007940 - symbol: H # 10 coordinates: [ 0.172425980000000, 0.344851980000000, 0.404319920000000 ] mass: 1.007940 - symbol: H # 11 coordinates: [ 0.172425980000000, 0.827574020000000, 0.404319920000000 ] mass: 1.007940 - symbol: H # 12 coordinates: [ 0.655148020000000, 0.827574020000000, 0.404319920000000 ] mass: 1.007940 reciprocal_lattice: # without 2pi - [ 0.241406238461536, 0.139375956753224, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.278751913506448, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.139373427967036 ] # c*unit_cell: lattice: - [ 4.142395020000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.071197510000000, 3.587419320000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 7.174968820000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.666666670000000, 0.333333330000000, 0.397217040000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.333333330000000, 0.666666670000000, 0.897217040000000 ] mass: 6.941000 reduced_to: 2 - symbol: B # 3 coordinates: [ 0.666666670000000, 0.333333330000000, 0.962338740000000 ] mass: 10.811000 reduced_to: 3 - symbol: B # 4 coordinates: [ 0.333333330000000, 0.666666670000000, 0.462338740000000 ] mass: 10.811000 reduced_to: 4 - symbol: H # 5 coordinates: [ 0.666666670000000, 0.333333330000000, 0.132507890000000 ] mass: 1.007940 reduced_to: 5 - symbol: H # 6 coordinates: [ 0.333333330000000, 0.666666670000000, 0.632507890000000 ] mass: 1.007940 reduced_to: 6 - symbol: H # 7 coordinates: [ 0.827574020000000, 0.655148020000000, 0.904319920000000 ] mass: 1.007940 reduced_to: 7 - symbol: H # 8 coordinates: [ 0.827574020000000, 0.172425980000000, 0.904319920000000 ] mass: 1.007940 reduced_to: 8 - symbol: H # 9 coordinates: [ 0.344851980000000, 0.172425980000000, 0.904319920000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 10 coordinates: [ 0.172425980000000, 0.344851980000000, 0.404319920000000 ] mass: 1.007940 reduced_to: 10 - symbol: H # 11 coordinates: [ 0.172425980000000, 0.827574020000000, 0.404319920000000 ] mass: 1.007940 reduced_to: 11 - symbol: H # 12 coordinates: [ 0.655148020000000, 0.827574020000000, 0.404319920000000 ] mass: 1.007940 reduced_to: 12supercell: lattice: - [ 8.284790040000001, 0.000000000000000, 0.000000000000000 ] # a - [ -4.142395020000000, 7.174838640000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.349937640000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.333333335000000, 0.166666665000000, 0.198608520000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.833333335000000, 0.166666665000000, 0.198608520000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 3 coordinates: [ 0.333333335000000, 0.666666665000000, 0.198608520000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 4 coordinates: [ 0.833333335000000, 0.666666665000000, 0.198608520000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 5 coordinates: [ 0.333333335000000, 0.166666665000000, 0.698608520000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 6 coordinates: [ 0.833333335000000, 0.166666665000000, 0.698608520000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 7 coordinates: [ 0.333333335000000, 0.666666665000000, 0.698608520000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 8 coordinates: [ 0.833333335000000, 0.666666665000000, 0.698608520000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 9 coordinates: [ 0.166666665000000, 0.333333335000000, 0.448608520000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 10 coordinates: [ 0.666666665000000, 0.333333335000000, 0.448608520000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 11 coordinates: [ 0.166666665000000, 0.833333335000000, 0.448608520000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 12 coordinates: [ 0.666666665000000, 0.833333335000000, 0.448608520000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 13 coordinates: [ 0.166666665000000, 0.333333335000000, 0.948608520000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 14 coordinates: [ 0.666666665000000, 0.333333335000000, 0.948608520000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 15 coordinates: [ 0.166666665000000, 0.833333335000000, 0.948608520000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 16 coordinates: [ 0.666666665000000, 0.833333335000000, 0.948608520000000 ] mass: 6.941000 reduced_to: 9 - symbol: B # 17 coordinates: [ 0.333333335000000, 0.166666665000000, 0.481169370000000 ] mass: 10.811000 reduced_to: 17 - symbol: B # 18 coordinates: [ 0.833333335000000, 0.166666665000000, 0.481169370000000 ] mass: 10.811000 reduced_to: 17 - symbol: B # 19 coordinates: [ 0.333333335000000, 0.666666665000000, 0.481169370000000 ] mass: 10.811000 reduced_to: 17 - symbol: B # 20 coordinates: [ 0.833333335000000, 0.666666665000000, 0.481169370000000 ] mass: 10.811000 reduced_to: 17 - symbol: B # 21 coordinates: [ 0.333333335000000, 0.166666665000000, 0.981169370000000 ] mass: 10.811000 reduced_to: 17 - symbol: B # 22 coordinates: [ 0.833333335000000, 0.166666665000000, 0.981169370000000 ] mass: 10.811000 reduced_to: 17 - symbol: B # 23 coordinates: [ 0.333333335000000, 0.666666665000000, 0.981169370000000 ] mass: 10.811000 reduced_to: 17 - symbol: B # 24 coordinates: [ 0.833333335000000, 0.666666665000000, 0.981169370000000 ] mass: 10.811000 reduced_to: 17 - symbol: B # 25 coordinates: [ 0.166666665000000, 0.333333335000000, 0.231169370000000 ] mass: 10.811000 reduced_to: 25 - symbol: B # 26 coordinates: [ 0.666666665000000, 0.333333335000000, 0.231169370000000 ] mass: 10.811000 reduced_to: 25 - symbol: B # 27 coordinates: [ 0.166666665000000, 0.833333335000000, 0.231169370000000 ] mass: 10.811000 reduced_to: 25 - symbol: B # 28 coordinates: [ 0.666666665000000, 0.833333335000000, 0.231169370000000 ] mass: 10.811000 reduced_to: 25 - symbol: B # 29 coordinates: [ 0.166666665000000, 0.333333335000000, 0.731169370000000 ] mass: 10.811000 reduced_to: 25 - symbol: B # 30 coordinates: [ 0.666666665000000, 0.333333335000000, 0.731169370000000 ] mass: 10.811000 reduced_to: 25 - symbol: B # 31 coordinates: [ 0.166666665000000, 0.833333335000000, 0.731169370000000 ] mass: 10.811000 reduced_to: 25 - symbol: B # 32 coordinates: [ 0.666666665000000, 0.833333335000000, 0.731169370000000 ] mass: 10.811000 reduced_to: 25 - symbol: H # 33 coordinates: [ 0.333333335000000, 0.166666665000000, 0.066253945000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 34 coordinates: [ 0.833333335000000, 0.166666665000000, 0.066253945000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 35 coordinates: [ 0.333333335000000, 0.666666665000000, 0.066253945000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 36 coordinates: [ 0.833333335000000, 0.666666665000000, 0.066253945000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 37 coordinates: [ 0.333333335000000, 0.166666665000000, 0.566253945000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 38 coordinates: [ 0.833333335000000, 0.166666665000000, 0.566253945000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 39 coordinates: [ 0.333333335000000, 0.666666665000000, 0.566253945000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 40 coordinates: [ 0.833333335000000, 0.666666665000000, 0.566253945000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 41 coordinates: [ 0.166666665000000, 0.333333335000000, 0.316253945000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 42 coordinates: [ 0.666666665000000, 0.333333335000000, 0.316253945000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 43 coordinates: [ 0.166666665000000, 0.833333335000000, 0.316253945000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 44 coordinates: [ 0.666666665000000, 0.833333335000000, 0.316253945000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 45 coordinates: [ 0.166666665000000, 0.333333335000000, 0.816253945000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 46 coordinates: [ 0.666666665000000, 0.333333335000000, 0.816253945000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 47 coordinates: [ 0.166666665000000, 0.833333335000000, 0.816253945000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 48 coordinates: [ 0.666666665000000, 0.833333335000000, 0.816253945000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 49 coordinates: [ 0.413787010000000, 0.327574010000000, 0.452159960000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 50 coordinates: [ 0.913787010000000, 0.327574010000000, 0.452159960000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 51 coordinates: [ 0.413787010000000, 0.827574010000000, 0.452159960000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 52 coordinates: [ 0.913787010000000, 0.827574010000000, 0.452159960000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 53 coordinates: [ 0.413787010000000, 0.327574010000000, 0.952159960000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 54 coordinates: [ 0.913787010000000, 0.327574010000000, 0.952159960000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 55 coordinates: [ 0.413787010000000, 0.827574010000000, 0.952159960000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 56 coordinates: [ 0.913787010000000, 0.827574010000000, 0.952159960000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 57 coordinates: [ 0.413787010000000, 0.086212990000000, 0.452159960000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 58 coordinates: [ 0.913787010000000, 0.086212990000000, 0.452159960000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 59 coordinates: [ 0.413787010000000, 0.586212990000000, 0.452159960000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 60 coordinates: [ 0.913787010000000, 0.586212990000000, 0.452159960000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 61 coordinates: [ 0.413787010000000, 0.086212990000000, 0.952159960000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 62 coordinates: [ 0.913787010000000, 0.086212990000000, 0.952159960000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 63 coordinates: [ 0.413787010000000, 0.586212990000000, 0.952159960000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 64 coordinates: [ 0.913787010000000, 0.586212990000000, 0.952159960000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 65 coordinates: [ 0.172425990000000, 0.086212990000000, 0.452159960000000 ] mass: 1.007940 reduced_to: 65 - symbol: H # 66 coordinates: [ 0.672425990000000, 0.086212990000000, 0.452159960000000 ] mass: 1.007940 reduced_to: 65 - symbol: H # 67 coordinates: [ 0.172425990000000, 0.586212990000000, 0.452159960000000 ] mass: 1.007940 reduced_to: 65 - symbol: H # 68 coordinates: [ 0.672425990000000, 0.586212990000000, 0.452159960000000 ] mass: 1.007940 reduced_to: 65 - symbol: H # 69 coordinates: [ 0.172425990000000, 0.086212990000000, 0.952159960000000 ] mass: 1.007940 reduced_to: 65 - symbol: H # 70 coordinates: [ 0.672425990000000, 0.086212990000000, 0.952159960000000 ] mass: 1.007940 reduced_to: 65 - symbol: H # 71 coordinates: [ 0.172425990000000, 0.586212990000000, 0.952159960000000 ] mass: 1.007940 reduced_to: 65 - symbol: H # 72 coordinates: [ 0.672425990000000, 0.586212990000000, 0.952159960000000 ] mass: 1.007940 reduced_to: 65 - symbol: H # 73 coordinates: [ 0.086212990000000, 0.172425990000000, 0.202159960000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 74 coordinates: [ 0.586212990000000, 0.172425990000000, 0.202159960000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 75 coordinates: [ 0.086212990000000, 0.672425990000000, 0.202159960000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 76 coordinates: [ 0.586212990000000, 0.672425990000000, 0.202159960000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 77 coordinates: [ 0.086212990000000, 0.172425990000000, 0.702159960000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 78 coordinates: [ 0.586212990000000, 0.172425990000000, 0.702159960000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 79 coordinates: [ 0.086212990000000, 0.672425990000000, 0.702159960000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 80 coordinates: [ 0.586212990000000, 0.672425990000000, 0.702159960000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 81 coordinates: [ 0.086212990000000, 0.413787010000000, 0.202159960000000 ] mass: 1.007940 reduced_to: 81 - symbol: H # 82 coordinates: [ 0.586212990000000, 0.413787010000000, 0.202159960000000 ] mass: 1.007940 reduced_to: 81 - symbol: H # 83 coordinates: [ 0.086212990000000, 0.913787010000000, 0.202159960000000 ] mass: 1.007940 reduced_to: 81 - symbol: H # 84 coordinates: [ 0.586212990000000, 0.913787010000000, 0.202159960000000 ] mass: 1.007940 reduced_to: 81 - symbol: H # 85 coordinates: [ 0.086212990000000, 0.413787010000000, 0.702159960000000 ] mass: 1.007940 reduced_to: 81 - symbol: H # 86 coordinates: [ 0.586212990000000, 0.413787010000000, 0.702159960000000 ] mass: 1.007940 reduced_to: 81 - symbol: H # 87 coordinates: [ 0.086212990000000, 0.913787010000000, 0.702159960000000 ] mass: 1.007940 reduced_to: 81 - symbol: H # 88 coordinates: [ 0.586212990000000, 0.913787010000000, 0.702159960000000 ] mass: 1.007940 reduced_to: 81 - symbol: H # 89 coordinates: [ 0.327574010000000, 0.413787010000000, 0.202159960000000 ] mass: 1.007940 reduced_to: 89 - symbol: H # 90 coordinates: [ 0.827574010000000, 0.413787010000000, 0.202159960000000 ] mass: 1.007940 reduced_to: 89 - symbol: H # 91 coordinates: [ 0.327574010000000, 0.913787010000000, 0.202159960000000 ] mass: 1.007940 reduced_to: 89 - symbol: H # 92 coordinates: [ 0.827574010000000, 0.913787010000000, 0.202159960000000 ] mass: 1.007940 reduced_to: 89 - symbol: H # 93 coordinates: [ 0.327574010000000, 0.413787010000000, 0.702159960000000 ] mass: 1.007940 reduced_to: 89 - symbol: H # 94 coordinates: [ 0.827574010000000, 0.413787010000000, 0.702159960000000 ] mass: 1.007940 reduced_to: 89 - symbol: H # 95 coordinates: [ 0.327574010000000, 0.913787010000000, 0.702159960000000 ] mass: 1.007940 reduced_to: 89 - symbol: H # 96 coordinates: [ 0.827574010000000, 0.913787010000000, 0.702159960000000 ] mass: 1.007940 reduced_to: 89born_effective_charge:- # 1 (Li) - [ 1.108226480000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.108226480000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.970729670000000 ]- # 2 (Li) - [ 1.108226480000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.108226480000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.970729670000000 ]- # 3 (B) - [ -0.125092860000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -0.125092860000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.275960360000000 ]- # 4 (B) - [ -0.125092860000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -0.125092860000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.275960360000000 ]- # 5 (H) - [ -0.141717050000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -0.141717050000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.740326470000000 ]- # 6 (H) - [ -0.141717050000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -0.141717050000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.740326470000000 ]- # 7 (H) - [ -0.179095240000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -0.381849140000000, 0.124764530000000 ] - [ 0.000000000000000, 0.113479210000000, -0.168787860000000 ]- # 8 (H) - [ -0.331160665000000, 0.087795014062342, 0.108049252476341 ] - [ 0.087795014054028, -0.229783715000000, -0.062382265000000 ] - [ 0.098275878656736, -0.056739605000000, -0.168787860000000 ]- # 9 (H) - [ -0.331160665000000, -0.087795014062342, -0.108049252476341 ] - [ -0.087795014054028, -0.229783715000000, -0.062382265000000 ] - [ -0.098275878656736, -0.056739605000000, -0.168787860000000 ]- # 10 (H) - [ -0.179095240000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -0.381849140000000, -0.124764530000000 ] - [ -0.000000000000000, -0.113479210000000, -0.168787860000000 ]- # 11 (H) - [ -0.331160665000000, 0.087795014062342, -0.108049252476341 ] - [ 0.087795014054028, -0.229783715000000, 0.062382265000000 ] - [ -0.098275878656736, 0.056739605000000, -0.168787860000000 ]- # 12 (H) - [ -0.331160665000000, -0.087795014062342, 0.108049252476341 ] - [ -0.087795014054028, -0.229783715000000, 0.062382265000000 ] - [ 0.098275878656736, 0.056739605000000, -0.168787860000000 ]dielectric_constant: - [ 2.595059660000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.595059660000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.448534700000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0224390100000000, -0.0001545700000000, -0.0003026200000000 ] - [ 0.0052587100000000, 0.0000023000000000, -0.0002135400000000 ] - [ 0.0003554300000000, -0.0028248500000000, 0.0002215500000000 ] - [ 0.0003629600000000, 0.0028324400000000, -0.0006597300000000 ] - [ 0.0000066100000000, 0.0000019700000000, -0.0002152300000000 ] - [ -0.0000041400000000, 0.0000019100000000, -0.0002170200000000 ] - [ -0.0000008200000000, 0.0000032100000000, -0.0002685000000000 ] - [ -0.0000015100000000, -0.0000008500000000, -0.0001658900000000 ] - [ 0.0000217200000000, 0.0000087200000000, -0.0017126300000000 ] - [ 0.0000199300000000, -0.0000119600000000, 0.0012867000000000 ] - [ 0.0000387600000000, 0.0000002300000000, -0.0002178900000000 ] - [ -0.0000556500000000, -0.0000012100000000, -0.0002159000000000 ] - [ 0.0000235500000000, 0.0000082000000000, 0.0003883900000000 ] - [ 0.0000179200000000, -0.0000112400000000, -0.0008254900000000 ] - [ 0.0000372600000000, 0.0000011500000000, -0.0002160300000000 ] - [ -0.0000542100000000, -0.0000016400000000, -0.0002177500000000 ] - [ -0.0001866100000000, -0.0000002800000000, -0.0002142300000000 ] - [ 0.0000532100000000, -0.0000007200000000, -0.0002150000000000 ] - [ -0.0000013800000000, -0.0000320500000000, -0.0000943900000000 ] - [ -0.0000015900000000, 0.0000307300000000, -0.0003360200000000 ] - [ 0.0020833600000000, 0.0000017300000000, -0.0002139600000000 ] - [ -0.0004535800000000, -0.0000009200000000, -0.0002177700000000 ] - [ -0.0000240200000000, 0.0002466500000000, -0.0000471700000000 ] - [ -0.0000262600000000, -0.0002481500000000, -0.0003850500000000 ] - [ 0.0039900800000000, -0.0049299300000000, -0.0011575000000000 ] - [ 0.0041989200000000, 0.0050631500000000, 0.0007284100000000 ] - [ -0.0045598900000000, 0.0000240100000000, -0.0002157000000000 ] - [ 0.0012054000000000, 0.0000029200000000, -0.0002144600000000 ] - [ 0.0000050700000000, -0.0000097900000000, -0.0002128000000000 ] - [ 0.0000059100000000, 0.0000114600000000, -0.0002184900000000 ] - [ -0.0000130300000000, 0.0000004500000000, -0.0002152500000000 ] - [ 0.0000099400000000, 0.0000008700000000, -0.0002156800000000 ] - [ -0.0014407600000000, 0.0000009000000000, 0.0002795000000000 ] - [ -0.0000207700000000, 0.0000000000000000, 0.0002455300000000 ] - [ -0.0000009300000000, 0.0000113400000000, 0.0000439600000000 ] - [ -0.0000009700000000, -0.0000116300000000, 0.0004397200000000 ] - [ 0.0002500400000000, -0.0000000200000000, 0.0002420700000000 ] - [ -0.0001874900000000, 0.0000000100000000, 0.0002410600000000 ] - [ 0.0000044300000000, 0.0001104200000000, 0.0003658700000000 ] - [ 0.0000042500000000, -0.0001110700000000, 0.0001145700000000 ] - [ -0.0006750500000000, 0.0008197400000000, 0.0018604100000000 ] - [ -0.0006787100000000, -0.0008343200000000, -0.0013888900000000 ] - [ 0.0007555100000000, -0.0000015700000000, 0.0002441100000000 ] - [ -0.0001181600000000, 0.0000004400000000, 0.0002389300000000 ] - [ 0.0000031700000000, -0.0000074100000000, 0.0002461900000000 ] - [ 0.0000034800000000, 0.0000072700000000, 0.0002395100000000 ] - [ -0.0000094000000000, -0.0000001900000000, 0.0002403000000000 ] - [ 0.0000100200000000, 0.0000000100000000, 0.0002419100000000 ] - [ 0.0000128600000000, 0.0003355600000000, 0.0000633200000000 ] - [ -0.0000156700000000, 0.0003364100000000, 0.0000629100000000 ] - [ 0.0000010600000000, 0.0004208900000000, 0.0000850500000000 ] - [ 0.0000012700000000, 0.0002473700000000, 0.0000423200000000 ] - [ 0.0001532200000000, 0.0003349200000000, 0.0000603000000000 ] - [ -0.0000549200000000, 0.0003350800000000, 0.0000642800000000 ] - [ -0.0000086300000000, 0.0003913000000000, -0.0000917700000000 ] - [ -0.0000083500000000, 0.0002768400000000, 0.0002201300000000 ] - [ 0.0005131800000000, -0.0002890000000000, 0.0000445900000000 ] - [ 0.0001217900000000, -0.0000817200000000, 0.0000689800000000 ] - [ 0.0002063100000000, -0.0001065800000000, 0.0000909500000000 ] - [ 0.0003787100000000, -0.0002277700000000, 0.0000330300000000 ] - [ 0.0003587100000000, -0.0001193900000000, -0.0006130100000000 ] - [ 0.0002162700000000, -0.0001738500000000, 0.0002254600000000 ] - [ 0.0003032300000000, -0.0001363400000000, 0.0000692900000000 ] - [ 0.0002721000000000, -0.0001888800000000, 0.0000817100000000 ] - [ -0.0000674500000000, -0.0000463900000000, 0.0000822600000000 ] - [ -0.0004607100000000, -0.0002545300000000, 0.0000572800000000 ] - [ -0.0002005500000000, -0.0001066700000000, 0.0000946400000000 ] - [ -0.0003738100000000, -0.0002285700000000, 0.0000366500000000 ] - [ -0.0002214200000000, -0.0002169600000000, 0.0007351100000000 ] - [ -0.0003640900000000, -0.0001614600000000, -0.0000964000000000 ] - [ -0.0003072700000000, -0.0001455800000000, 0.0000467100000000 ] - [ -0.0002756900000000, -0.0001982000000000, 0.0000593300000000 ] - [ 0.0032068100000000, -0.0001584900000000, 0.0000340300000000 ] - [ 0.0034253900000000, -0.0004376000000000, 0.0001184400000000 ] - [ 0.0020528600000000, -0.0003402300000000, 0.0000627500000000 ] - [ -0.0003858500000000, -0.0003334100000000, 0.0000642300000000 ] - [ 0.0000007200000000, -0.0003425900000000, 0.0000572200000000 ] - [ 0.0000006800000000, -0.0003306300000000, 0.0000687000000000 ] - [ -0.0000020900000000, -0.0003345900000000, 0.0000635300000000 ] - [ 0.0000022100000000, -0.0003356200000000, 0.0000634500000000 ] - [ -0.0015591200000000, 0.0020795500000000, -0.0002865900000000 ] - [ 0.0009412500000000, 0.0005213900000000, 0.0006319100000000 ] - [ 0.0017789400000000, 0.0017122700000000, 0.0005856400000000 ] - [ -0.0004421800000000, 0.0000324000000000, -0.0001642300000000 ] - [ -0.0002892600000000, 0.0001656100000000, 0.0000666600000000 ] - [ -0.0002930100000000, 0.0001703500000000, 0.0000634700000000 ] - [ -0.0002971000000000, 0.0001708700000000, 0.0000585000000000 ] - [ -0.0002822700000000, 0.0001642000000000, 0.0000682600000000 ] - [ 0.0014907900000000, -0.0001995200000000, -0.0004977700000000 ] - [ -0.0009652900000000, -0.0017480900000000, 0.0004364700000000 ] - [ 0.0023687800000000, -0.0014203400000000, -0.0004601300000000 ] - [ 0.0001309000000000, 0.0002983100000000, 0.0002938100000000 ] - [ 0.0002902100000000, 0.0001660400000000, 0.0000629100000000 ] - [ 0.0002938500000000, 0.0001707500000000, 0.0000593100000000 ] - [ 0.0002820800000000, 0.0001636100000000, 0.0000693600000000 ] - [ 0.0002988700000000, 0.0001713900000000, 0.0000588500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0142225700000000 ] - [ 0.0000000000000000, -0.0005066700000000, -0.0012116800000000 ] - [ 0.0004387900000000, 0.0002533300000000, -0.0012116800000000 ] - [ -0.0004387900000000, 0.0002533300000000, -0.0012116800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011045700000000 ] - [ 0.0000000000000000, 0.0000612500000000, 0.0004428200000000 ] - [ -0.0000530400000000, -0.0000306200000000, 0.0004428200000000 ] - [ 0.0000530400000000, -0.0000306200000000, 0.0004428200000000 ] - [ -0.0006108500000000, 0.0003526700000000, 0.0004507900000000 ] - [ 0.0006108500000000, 0.0003526700000000, 0.0004507900000000 ] - [ 0.0000000000000000, -0.0007053500000000, 0.0004507900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001009900000000 ] - [ 0.0014960300000000, -0.0008637300000000, 0.0004532300000000 ] - [ -0.0014960300000000, -0.0008637300000000, 0.0004532300000000 ] - [ 0.0000000000000000, 0.0017274700000000, 0.0004532300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000951600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002645600000000 ] - [ 0.0000000000000000, 0.0001582200000000, 0.0001157700000000 ] - [ -0.0001370200000000, -0.0000791100000000, 0.0001157700000000 ] - [ 0.0001370200000000, -0.0000791100000000, 0.0001157700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012001900000000 ] - [ 0.0000000000000000, -0.0003802300000000, -0.0008912100000000 ] - [ 0.0003292900000000, 0.0001901200000000, -0.0008912100000000 ] - [ -0.0003292900000000, 0.0001901200000000, -0.0008912100000000 ] - [ -0.0008252500000000, 0.0004764600000000, 0.0001079600000000 ] - [ 0.0008252500000000, 0.0004764600000000, 0.0001079600000000 ] - [ 0.0000000000000000, -0.0009529200000000, 0.0001079600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000307900000000 ] - [ -0.0001590100000000, 0.0000918000000000, 0.0000534700000000 ] - [ 0.0001590100000000, 0.0000918000000000, 0.0000534700000000 ] - [ 0.0000000000000000, -0.0001836100000000, 0.0000534700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001146200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0098259600000000 ] - [ 0.0000000000000000, 0.0000177700000000, 0.0008192600000000 ] - [ -0.0000153900000000, -0.0000088900000000, 0.0008192600000000 ] - [ 0.0000153900000000, -0.0000088900000000, 0.0008192600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008531800000000 ] - [ 0.0000000000000000, -0.0000007000000000, -0.0002377500000000 ] - [ 0.0000006000000000, 0.0000003500000000, -0.0002377500000000 ] - [ -0.0000006000000000, 0.0000003500000000, -0.0002377500000000 ] - [ -0.0002006800000000, 0.0001158600000000, 0.0014420700000000 ] - [ 0.0002006800000000, 0.0001158600000000, 0.0014420700000000 ] - [ 0.0000000000000000, -0.0002317300000000, 0.0014420700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005560300000000 ] - [ -0.0000016700000000, 0.0000009700000000, -0.0004473900000000 ] - [ 0.0000016700000000, 0.0000009700000000, -0.0004473900000000 ] - [ 0.0000000000000000, -0.0000019300000000, -0.0004473900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001601400000000 ] - [ 0.0000000000000000, 0.0005677700000000, -0.0001102800000000 ] - [ 0.0000000000000000, 0.0003938800000000, -0.0000322000000000 ] - [ 0.0000290700000000, 0.0003987300000000, -0.0000724800000000 ] - [ -0.0000290700000000, 0.0003987300000000, -0.0000724800000000 ] - [ 0.0000000000000000, 0.0009581500000000, -0.0013401300000000 ] - [ 0.0000000000000000, 0.0003535700000000, 0.0001401100000000 ] - [ -0.0001022500000000, 0.0002783500000000, 0.0002767800000000 ] - [ 0.0001022500000000, 0.0002783500000000, 0.0002767800000000 ] - [ 0.0004917100000000, -0.0002838900000000, -0.0001102800000000 ] - [ 0.0003307800000000, -0.0002245400000000, -0.0000724800000000 ] - [ 0.0003598500000000, -0.0001741900000000, -0.0000724800000000 ] - [ 0.0003411100000000, -0.0001969400000000, -0.0000322000000000 ] - [ 0.0008297800000000, -0.0004790800000000, -0.0013401300000000 ] - [ 0.0002921800000000, -0.0000506200000000, 0.0002767800000000 ] - [ 0.0001899300000000, -0.0002277200000000, 0.0002767800000000 ] - [ 0.0003062000000000, -0.0001767900000000, 0.0001401100000000 ] - [ -0.0004917100000000, -0.0002838900000000, -0.0001102800000000 ] - [ -0.0003307800000000, -0.0002245400000000, -0.0000724800000000 ] - [ -0.0003411100000000, -0.0001969400000000, -0.0000322000000000 ] - [ -0.0003598500000000, -0.0001741900000000, -0.0000724800000000 ] - [ -0.0008297800000000, -0.0004790800000000, -0.0013401300000000 ] - [ -0.0002921800000000, -0.0000506200000000, 0.0002767800000000 ] - [ -0.0003062000000000, -0.0001767900000000, 0.0001401100000000 ] - [ -0.0001899300000000, -0.0002277200000000, 0.0002767800000000 ] - [ 0.0003175100000000, 0.0003345400000000, 0.0001505100000000 ] - [ -0.0003175100000000, 0.0003345400000000, 0.0001505100000000 ] - [ 0.0000000000000000, 0.0002743400000000, 0.0008158200000000 ] - [ 0.0000000000000000, -0.0002676000000000, 0.0000808400000000 ] - [ -0.0000066400000000, -0.0004456100000000, -0.0000639800000000 ] - [ 0.0000066400000000, -0.0004456100000000, -0.0000639800000000 ] - [ 0.0000000000000000, -0.0004307500000000, -0.0001550000000000 ] - [ 0.0000000000000000, -0.0004070500000000, -0.0000264200000000 ] - [ 0.0002375800000000, -0.0001371700000000, 0.0008158200000000 ] - [ 0.0001309600000000, -0.0004422400000000, 0.0001505100000000 ] - [ 0.0004484700000000, 0.0001077000000000, 0.0001505100000000 ] - [ -0.0002317500000000, 0.0001338000000000, 0.0000808400000000 ] - [ -0.0003730400000000, 0.0002153700000000, -0.0001550000000000 ] - [ -0.0003825900000000, 0.0002285600000000, -0.0000639800000000 ] - [ -0.0003892300000000, 0.0002170500000000, -0.0000639800000000 ] - [ -0.0003525100000000, 0.0002035200000000, -0.0000264200000000 ] - [ -0.0001309600000000, -0.0004422400000000, 0.0001505100000000 ] - [ -0.0002375800000000, -0.0001371700000000, 0.0008158200000000 ] - [ -0.0004484700000000, 0.0001077000000000, 0.0001505100000000 ] - [ 0.0002317500000000, 0.0001338000000000, 0.0000808400000000 ] - [ 0.0003825900000000, 0.0002285600000000, -0.0000639800000000 ] - [ 0.0003730400000000, 0.0002153700000000, -0.0001550000000000 ] - [ 0.0003892300000000, 0.0002170500000000, -0.0000639800000000 ] - [ 0.0003525100000000, 0.0002035200000000, -0.0000264200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0143221800000000 ] - [ 0.0000000000000000, 0.0005126900000000, 0.0007939900000000 ] - [ -0.0004440000000000, -0.0002563400000000, 0.0007939900000000 ] - [ 0.0004440000000000, -0.0002563400000000, 0.0007939900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015321600000000 ] - [ 0.0000000000000000, -0.0000614000000000, -0.0008597400000000 ] - [ 0.0000531700000000, 0.0000307000000000, -0.0008597400000000 ] - [ -0.0000531700000000, 0.0000307000000000, -0.0008597400000000 ] - [ 0.0006037500000000, -0.0003485700000000, -0.0008756500000000 ] - [ -0.0006037500000000, -0.0003485700000000, -0.0008756500000000 ] - [ 0.0000000000000000, 0.0006971500000000, -0.0008756500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003285000000000 ] - [ -0.0015029900000000, 0.0008677500000000, -0.0008738900000000 ] - [ 0.0015029900000000, 0.0008677500000000, -0.0008738900000000 ] - [ 0.0000000000000000, -0.0017355100000000, -0.0008738900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003233900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001689700000000 ] - [ 0.0000000000000000, -0.0001544100000000, -0.0005425900000000 ] - [ 0.0001337300000000, 0.0000772100000000, -0.0005425900000000 ] - [ -0.0001337300000000, 0.0000772100000000, -0.0005425900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015522800000000 ] - [ 0.0000000000000000, 0.0003820600000000, 0.0004680400000000 ] - [ -0.0003308700000000, -0.0001910300000000, 0.0004680400000000 ] - [ 0.0003308700000000, -0.0001910300000000, 0.0004680400000000 ] - [ 0.0008302300000000, -0.0004793300000000, -0.0005837300000000 ] - [ -0.0008302300000000, -0.0004793300000000, -0.0005837300000000 ] - [ 0.0000000000000000, 0.0009586600000000, -0.0005837300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004066600000000 ] - [ 0.0001609900000000, -0.0000929500000000, -0.0004807600000000 ] - [ -0.0001609900000000, -0.0000929500000000, -0.0004807600000000 ] - [ 0.0000000000000000, 0.0001859000000000, -0.0004807600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003150900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099368300000000 ] - [ 0.0000000000000000, -0.0000175000000000, -0.0003448200000000 ] - [ 0.0000151500000000, 0.0000087500000000, -0.0003448200000000 ] - [ -0.0000151500000000, 0.0000087500000000, -0.0003448200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013340100000000 ] - [ 0.0000000000000000, 0.0000006600000000, 0.0007200300000000 ] - [ -0.0000005700000000, -0.0000003300000000, 0.0007200300000000 ] - [ 0.0000005700000000, -0.0000003300000000, 0.0007200300000000 ] - [ 0.0002056700000000, -0.0001187400000000, -0.0009501600000000 ] - [ -0.0002056700000000, -0.0001187400000000, -0.0009501600000000 ] - [ 0.0000000000000000, 0.0002374900000000, -0.0009501600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000907100000000 ] - [ 0.0000022900000000, -0.0000013200000000, 0.0009311200000000 ] - [ -0.0000022900000000, -0.0000013200000000, 0.0009311200000000 ] - [ 0.0000000000000000, 0.0000026400000000, 0.0009311200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006483500000000 ] - [ 0.0000000000000000, 0.0001127100000000, 0.0002326800000000 ] - [ 0.0000000000000000, 0.0002776700000000, 0.0001577900000000 ] - [ -0.0000291200000000, 0.0002741300000000, 0.0001974000000000 ] - [ 0.0000291200000000, 0.0002741300000000, 0.0001974000000000 ] - [ 0.0000000000000000, -0.0002824400000000, 0.0014631600000000 ] - [ 0.0000000000000000, 0.0003199500000000, -0.0000167000000000 ] - [ 0.0001026600000000, 0.0003959600000000, -0.0001541300000000 ] - [ -0.0001026600000000, 0.0003959600000000, -0.0001541300000000 ] - [ 0.0000976100000000, -0.0000563600000000, 0.0002326800000000 ] - [ 0.0002519600000000, -0.0001118500000000, 0.0001974000000000 ] - [ 0.0002228400000000, -0.0001622800000000, 0.0001974000000000 ] - [ 0.0002404700000000, -0.0001388400000000, 0.0001577900000000 ] - [ -0.0002446000000000, 0.0001412200000000, 0.0014631600000000 ] - [ 0.0002915800000000, -0.0002868900000000, -0.0001541300000000 ] - [ 0.0003942400000000, -0.0001090700000000, -0.0001541300000000 ] - [ 0.0002770900000000, -0.0001599800000000, -0.0000167000000000 ] - [ -0.0000976100000000, -0.0000563600000000, 0.0002326800000000 ] - [ -0.0002519600000000, -0.0001118500000000, 0.0001974000000000 ] - [ -0.0002404700000000, -0.0001388400000000, 0.0001577900000000 ] - [ -0.0002228400000000, -0.0001622800000000, 0.0001974000000000 ] - [ 0.0002446000000000, 0.0001412200000000, 0.0014631600000000 ] - [ -0.0002915800000000, -0.0002868900000000, -0.0001541300000000 ] - [ -0.0002770900000000, -0.0001599800000000, -0.0000167000000000 ] - [ -0.0003942400000000, -0.0001090700000000, -0.0001541300000000 ] - [ -0.0002931600000000, -0.0010053900000000, -0.0000266900000000 ] - [ 0.0002931600000000, -0.0010053900000000, -0.0000266900000000 ] - [ 0.0000000000000000, -0.0009515200000000, -0.0006767000000000 ] - [ 0.0000000000000000, -0.0003899200000000, 0.0000512600000000 ] - [ 0.0000066600000000, -0.0002299800000000, 0.0001879600000000 ] - [ -0.0000066600000000, -0.0002299800000000, 0.0001879600000000 ] - [ 0.0000000000000000, -0.0002450700000000, 0.0002789400000000 ] - [ 0.0000000000000000, -0.0002709300000000, 0.0001486600000000 ] - [ -0.0008240400000000, 0.0004757600000000, -0.0006767000000000 ] - [ -0.0007241100000000, 0.0007565800000000, -0.0000266900000000 ] - [ -0.0010172700000000, 0.0002488100000000, -0.0000266900000000 ] - [ -0.0003376800000000, 0.0001949600000000, 0.0000512600000000 ] - [ -0.0002122400000000, 0.0001225400000000, 0.0002789400000000 ] - [ -0.0002025000000000, 0.0001092200000000, 0.0001879600000000 ] - [ -0.0001958400000000, 0.0001207600000000, 0.0001879600000000 ] - [ -0.0002346300000000, 0.0001354600000000, 0.0001486600000000 ] - [ 0.0007241100000000, 0.0007565800000000, -0.0000266900000000 ] - [ 0.0008240400000000, 0.0004757600000000, -0.0006767000000000 ] - [ 0.0010172700000000, 0.0002488100000000, -0.0000266900000000 ] - [ 0.0003376800000000, 0.0001949600000000, 0.0000512600000000 ] - [ 0.0002025000000000, 0.0001092200000000, 0.0001879600000000 ] - [ 0.0002122400000000, 0.0001225400000000, 0.0002789400000000 ] - [ 0.0001958400000000, 0.0001207600000000, 0.0001879600000000 ] - [ 0.0002346300000000, 0.0001354600000000, 0.0001486600000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001893400000000, -0.0000003000000000, -0.0002161600000000 ] - [ 0.0000484900000000, 0.0000017900000000, -0.0002189600000000 ] - [ -0.0000066600000000, -0.0000288400000000, -0.0003548500000000 ] - [ -0.0000038700000000, 0.0000334200000000, -0.0000811000000000 ] - [ 0.0020789300000000, -0.0000023400000000, -0.0001941200000000 ] - [ -0.0004570200000000, 0.0000012400000000, -0.0002159700000000 ] - [ -0.0000292800000000, 0.0002485900000000, 0.0001160500000000 ] - [ -0.0000288300000000, -0.0002450700000000, -0.0005454600000000 ] - [ 0.0039425200000000, -0.0049002900000000, 0.0005623900000000 ] - [ 0.0042526900000000, 0.0050934500000000, -0.0010954500000000 ] - [ -0.0045562800000000, -0.0000217100000000, -0.0002175600000000 ] - [ 0.0012074600000000, 0.0000027100000000, -0.0002192600000000 ] - [ 0.0000083000000000, -0.0000123100000000, -0.0000568700000000 ] - [ 0.0000086900000000, 0.0000092300000000, -0.0003759200000000 ] - [ -0.0000101800000000, -0.0000010000000000, -0.0002155000000000 ] - [ 0.0000125800000000, -0.0000007900000000, -0.0002163700000000 ] - [ -0.3107166400000000, 0.0043626100000000, 0.0032023100000000 ] - [ -0.0005818000000000, 0.0000001300000000, -0.0002136300000000 ] - [ -0.0011434100000000, -0.0003241500000000, 0.0004172600000000 ] - [ -0.0011323800000000, 0.0003176400000000, -0.0008394900000000 ] - [ 0.0000001600000000, -0.0000007100000000, -0.0002152500000000 ] - [ 0.0000048200000000, -0.0000006900000000, -0.0002157300000000 ] - [ 0.0000037500000000, -0.0000013100000000, -0.0002297200000000 ] - [ 0.0000033900000000, 0.0000000500000000, -0.0002014200000000 ] - [ 0.0000008000000000, 0.0001491000000000, -0.0003614200000000 ] - [ 0.0000033400000000, -0.0001467700000000, -0.0000748600000000 ] - [ 0.0002584900000000, -0.0000017500000000, -0.0002158200000000 ] - [ -0.0001036300000000, 0.0000005800000000, -0.0002163200000000 ] - [ 0.0000010700000000, 0.0001482800000000, -0.0005840600000000 ] - [ 0.0000032200000000, -0.0001476500000000, 0.0001536100000000 ] - [ 0.0002582100000000, 0.0000006500000000, -0.0002145600000000 ] - [ -0.0001037800000000, 0.0000009600000000, -0.0002154000000000 ] - [ -0.0000169100000000, -0.0000000400000000, 0.0002406600000000 ] - [ 0.0000190500000000, -0.0000000900000000, 0.0002415500000000 ] - [ -0.0000006700000000, -0.0000115200000000, 0.0002274200000000 ] - [ -0.0000007700000000, 0.0000113600000000, 0.0002538900000000 ] - [ 0.0212960400000000, -0.0001104700000000, -0.0004999000000000 ] - [ -0.0000245100000000, -0.0000005000000000, 0.0002434600000000 ] - [ -0.0000064000000000, 0.0000098200000000, -0.0000783600000000 ] - [ -0.0000079200000000, -0.0000100900000000, 0.0005587300000000 ] - [ 0.0000426700000000, -0.0000456900000000, 0.0004098800000000 ] - [ 0.0000421800000000, 0.0000452300000000, 0.0000735500000000 ] - [ -0.0000363600000000, 0.0000000400000000, 0.0002419700000000 ] - [ -0.0000031700000000, -0.0000000800000000, 0.0002401400000000 ] - [ 0.0001632700000000, -0.0001096100000000, -0.0000657300000000 ] - [ 0.0001626500000000, 0.0001100800000000, 0.0005515700000000 ] - [ -0.0000274300000000, -0.0000003900000000, 0.0002418300000000 ] - [ -0.0000303200000000, -0.0000001300000000, 0.0002427600000000 ] - [ 0.0283688800000000, -0.0003717700000000, 0.0002008000000000 ] - [ 0.0000655600000000, 0.0003364400000000, 0.0000626800000000 ] - [ 0.0006589200000000, -0.0002073000000000, -0.0001223700000000 ] - [ 0.0006600800000000, 0.0008826400000000, 0.0002475000000000 ] - [ -0.0000010800000000, 0.0003348500000000, 0.0000635300000000 ] - [ 0.0000011600000000, 0.0003355900000000, 0.0000632700000000 ] - [ -0.0000002600000000, 0.0003270800000000, 0.0000614300000000 ] - [ -0.0000002900000000, 0.0003418800000000, 0.0000658400000000 ] - [ 0.1277299200000000, -0.0579351700000000, -0.0427641100000000 ] - [ 0.0018820400000000, -0.0002021700000000, -0.0000181200000000 ] - [ 0.0009773200000000, -0.0006885400000000, -0.0002046900000000 ] - [ 0.0004559900000000, -0.0002262000000000, -0.0000448600000000 ] - [ 0.0002748100000000, -0.0001593800000000, 0.0000637100000000 ] - [ 0.0003061900000000, -0.0001767700000000, 0.0000630400000000 ] - [ 0.0002989200000000, -0.0001732300000000, 0.0000611000000000 ] - [ 0.0002796700000000, -0.0001609200000000, 0.0000671000000000 ] - [ 0.1226091200000000, 0.0538871200000000, 0.0401548600000000 ] - [ 0.0012993000000000, -0.0001329500000000, 0.0001449900000000 ] - [ -0.0001212000000000, -0.0001085100000000, 0.0001731800000000 ] - [ 0.0003890000000000, 0.0003452800000000, 0.0003283600000000 ] - [ -0.0003048600000000, -0.0001754100000000, 0.0000638500000000 ] - [ -0.0002748300000000, -0.0001589200000000, 0.0000639600000000 ] - [ -0.0003001900000000, -0.0001739300000000, 0.0000604000000000 ] - [ -0.0002808700000000, -0.0001615600000000, 0.0000664700000000 ] - [ -0.0000004700000000, -0.0002956800000000, 0.0001836300000000 ] - [ -0.0000007900000000, -0.0003701500000000, -0.0000541000000000 ] - [ 0.0001001200000000, -0.0003372100000000, 0.0000612900000000 ] - [ -0.0000315200000000, -0.0003335600000000, 0.0000641300000000 ] - [ 0.0000128800000000, -0.0005466400000000, -0.0000961900000000 ] - [ 0.0000128000000000, -0.0001268800000000, 0.0002227600000000 ] - [ -0.0000657100000000, -0.0003353600000000, 0.0000631500000000 ] - [ 0.0000288200000000, -0.0003369700000000, 0.0000628200000000 ] - [ -0.0002835900000000, 0.0002216100000000, 0.0000572700000000 ] - [ -0.0002952600000000, 0.0001427900000000, 0.0000769100000000 ] - [ -0.0002425400000000, 0.0001666800000000, 0.0001942500000000 ] - [ -0.0003209800000000, 0.0001668700000000, 0.0000077300000000 ] - [ -0.0002425500000000, 0.0001022100000000, 0.0000512600000000 ] - [ -0.0001318600000000, 0.0000881500000000, 0.0001535200000000 ] - [ -0.0003157700000000, 0.0001847600000000, -0.0000051700000000 ] - [ -0.0003078900000000, 0.0001941900000000, 0.0000747100000000 ] - [ 0.0002820500000000, 0.0001901800000000, 0.0000524100000000 ] - [ 0.0002937500000000, 0.0001118300000000, 0.0000708600000000 ] - [ 0.0003406400000000, 0.0001700200000000, -0.0000679400000000 ] - [ 0.0002565900000000, 0.0001662000000000, 0.0001213000000000 ] - [ 0.0004533300000000, 0.0002488400000000, -0.0000280100000000 ] - [ 0.0003393900000000, 0.0002340800000000, 0.0000743200000000 ] - [ 0.0002647800000000, 0.0001509900000000, 0.0001321900000000 ] - [ 0.0002752500000000, 0.0001422200000000, 0.0000511900000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002711900000000 ] - [ 0.0000000000000000, -0.0001395300000000, 0.0001172600000000 ] - [ 0.0001208400000000, 0.0000697700000000, 0.0001172600000000 ] - [ -0.0001208400000000, 0.0000697700000000, 0.0001172600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011549200000000 ] - [ 0.0000000000000000, -0.0001948400000000, -0.0008869500000000 ] - [ 0.0001687300000000, 0.0000974200000000, -0.0008869500000000 ] - [ -0.0001687300000000, 0.0000974200000000, -0.0008869500000000 ] - [ 0.0009267900000000, -0.0005350800000000, 0.0001553400000000 ] - [ -0.0009267900000000, -0.0005350800000000, 0.0001553400000000 ] - [ 0.0000000000000000, 0.0010701700000000, 0.0001553400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000202100000000 ] - [ -0.0000023900000000, 0.0000013800000000, 0.0000537700000000 ] - [ 0.0000023900000000, 0.0000013800000000, 0.0000537700000000 ] - [ 0.0000000000000000, -0.0000027600000000, 0.0000537700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001119100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.3060908600000000 ] - [ 0.0000000000000000, -0.0007224900000000, -0.0016736800000000 ] - [ 0.0006256900000000, 0.0003612400000000, -0.0016736800000000 ] - [ -0.0006256900000000, 0.0003612400000000, -0.0016736800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001601000000000 ] - [ 0.0000000000000000, 0.0000167100000000, -0.0001582700000000 ] - [ -0.0000144700000000, -0.0000083500000000, -0.0001582700000000 ] - [ 0.0000144700000000, -0.0000083500000000, -0.0001582700000000 ] - [ 0.0003694700000000, -0.0002133200000000, -0.0002618800000000 ] - [ -0.0003694700000000, -0.0002133200000000, -0.0002618800000000 ] - [ 0.0000000000000000, 0.0004266300000000, -0.0002618800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000536600000000 ] - [ 0.0001425700000000, -0.0000823100000000, -0.0002576400000000 ] - [ -0.0001425700000000, -0.0000823100000000, -0.0002576400000000 ] - [ 0.0000000000000000, 0.0001646300000000, -0.0002576400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000501600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000617200000000 ] - [ 0.0000000000000000, 0.0000224100000000, 0.0000737700000000 ] - [ -0.0000194100000000, -0.0000112100000000, 0.0000737700000000 ] - [ 0.0000194100000000, -0.0000112100000000, 0.0000737700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1845843800000000 ] - [ 0.0000000000000000, -0.0000988900000000, 0.0009359300000000 ] - [ 0.0000856400000000, 0.0000494500000000, 0.0009359300000000 ] - [ -0.0000856400000000, 0.0000494500000000, 0.0009359300000000 ] - [ 0.0002386300000000, -0.0001377800000000, 0.0004931300000000 ] - [ -0.0002386300000000, -0.0001377800000000, 0.0004931300000000 ] - [ 0.0000000000000000, 0.0002755500000000, 0.0004931300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001948200000000 ] - [ 0.0002385200000000, -0.0001377100000000, -0.0000440500000000 ] - [ -0.0002385200000000, -0.0001377100000000, -0.0000440500000000 ] - [ 0.0000000000000000, 0.0002754200000000, -0.0000440500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003338200000000 ] - [ 0.0000000000000000, -0.0481322400000000, 0.0404628500000000 ] - [ 0.0000000000000000, 0.0004190200000000, 0.0001143300000000 ] - [ -0.0001881500000000, 0.0002252300000000, 0.0003847000000000 ] - [ 0.0001881500000000, 0.0002252300000000, 0.0003847000000000 ] - [ 0.0000000000000000, 0.0003702800000000, 0.0000216700000000 ] - [ 0.0000000000000000, 0.0003785900000000, 0.0000181900000000 ] - [ -0.0000018100000000, 0.0003559700000000, 0.0000257200000000 ] - [ 0.0000018100000000, 0.0003559700000000, 0.0000257200000000 ] - [ -0.0416837500000000, 0.0240661200000000, 0.0404628500000000 ] - [ 0.0002891300000000, 0.0000503200000000, 0.0003847000000000 ] - [ 0.0001009900000000, -0.0002755600000000, 0.0003847000000000 ] - [ 0.0003628800000000, -0.0002095100000000, 0.0001143300000000 ] - [ 0.0003206800000000, -0.0001851400000000, 0.0000216700000000 ] - [ 0.0003091900000000, -0.0001764100000000, 0.0000257200000000 ] - [ 0.0003073700000000, -0.0001795600000000, 0.0000257200000000 ] - [ 0.0003278700000000, -0.0001892900000000, 0.0000181900000000 ] - [ 0.0416837500000000, 0.0240661200000000, 0.0404628500000000 ] - [ -0.0002891300000000, 0.0000503200000000, 0.0003847000000000 ] - [ -0.0003628800000000, -0.0002095100000000, 0.0001143300000000 ] - [ -0.0001009900000000, -0.0002755600000000, 0.0003847000000000 ] - [ -0.0003206800000000, -0.0001851400000000, 0.0000216700000000 ] - [ -0.0003091900000000, -0.0001764100000000, 0.0000257200000000 ] - [ -0.0003278700000000, -0.0001892900000000, 0.0000181900000000 ] - [ -0.0003073700000000, -0.0001795600000000, 0.0000257200000000 ] - [ 0.0000015700000000, -0.0003399700000000, -0.0000285000000000 ] - [ -0.0000015700000000, -0.0003399700000000, -0.0000285000000000 ] - [ 0.0000000000000000, -0.0003299600000000, 0.0001868300000000 ] - [ 0.0000000000000000, -0.0003828700000000, -0.0000457400000000 ] - [ -0.0000313200000000, -0.0004871600000000, 0.0000271500000000 ] - [ 0.0000313200000000, -0.0004871600000000, 0.0000271500000000 ] - [ 0.0000000000000000, -0.0000660300000000, 0.0000206500000000 ] - [ 0.0000000000000000, -0.0002829800000000, 0.0000598000000000 ] - [ -0.0002857500000000, 0.0001649800000000, 0.0001868300000000 ] - [ -0.0002952100000000, 0.0001686300000000, -0.0000285000000000 ] - [ -0.0002936400000000, 0.0001713500000000, -0.0000285000000000 ] - [ -0.0003315800000000, 0.0001914400000000, -0.0000457400000000 ] - [ -0.0000571800000000, 0.0000330100000000, 0.0000206500000000 ] - [ -0.0004062300000000, 0.0002707100000000, 0.0000271500000000 ] - [ -0.0004375500000000, 0.0002164500000000, 0.0000271500000000 ] - [ -0.0002450700000000, 0.0001414900000000, 0.0000598000000000 ] - [ 0.0002952100000000, 0.0001686300000000, -0.0000285000000000 ] - [ 0.0002857500000000, 0.0001649800000000, 0.0001868300000000 ] - [ 0.0002936400000000, 0.0001713500000000, -0.0000285000000000 ] - [ 0.0003315800000000, 0.0001914400000000, -0.0000457400000000 ] - [ 0.0004062300000000, 0.0002707100000000, 0.0000271500000000 ] - [ 0.0000571800000000, 0.0000330100000000, 0.0000206500000000 ] - [ 0.0004375500000000, 0.0002164500000000, 0.0000271500000000 ] - [ 0.0002450700000000, 0.0001414900000000, 0.0000598000000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001734300000000 ] - [ 0.0000000000000000, 0.0001385200000000, -0.0005415400000000 ] - [ -0.0001199600000000, -0.0000692600000000, -0.0005415400000000 ] - [ 0.0001199600000000, -0.0000692600000000, -0.0005415400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016048500000000 ] - [ 0.0000000000000000, 0.0001956100000000, 0.0004657500000000 ] - [ -0.0001694000000000, -0.0000978100000000, 0.0004657500000000 ] - [ 0.0001694000000000, -0.0000978100000000, 0.0004657500000000 ] - [ -0.0009590100000000, 0.0005536800000000, -0.0005375800000000 ] - [ 0.0009590100000000, 0.0005536800000000, -0.0005375800000000 ] - [ 0.0000000000000000, -0.0011073700000000, -0.0005375800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003973900000000 ] - [ 0.0000039000000000, -0.0000022500000000, -0.0004778600000000 ] - [ -0.0000039000000000, -0.0000022500000000, -0.0004778600000000 ] - [ 0.0000000000000000, 0.0000045000000000, -0.0004778600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003174100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.2921867600000000 ] - [ 0.0000000000000000, 0.0007274600000000, 0.0012472800000000 ] - [ -0.0006300000000000, -0.0003637300000000, 0.0012472800000000 ] - [ 0.0006300000000000, -0.0003637300000000, 0.0012472800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002693400000000 ] - [ 0.0000000000000000, -0.0000162700000000, -0.0002699200000000 ] - [ 0.0000140900000000, 0.0000081300000000, -0.0002699200000000 ] - [ -0.0000140900000000, 0.0000081300000000, -0.0002699200000000 ] - [ -0.0003690400000000, 0.0002130600000000, -0.0001725800000000 ] - [ 0.0003690400000000, 0.0002130600000000, -0.0001725800000000 ] - [ 0.0000000000000000, -0.0004261300000000, -0.0001725800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004799300000000 ] - [ -0.0001436900000000, 0.0000829600000000, -0.0001689900000000 ] - [ 0.0001436900000000, 0.0000829600000000, -0.0001689900000000 ] - [ 0.0000000000000000, -0.0001659200000000, -0.0001689900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004841300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004295500000000 ] - [ 0.0000000000000000, -0.0000222000000000, 0.0004048500000000 ] - [ 0.0000192200000000, 0.0000111000000000, 0.0004048500000000 ] - [ -0.0000192200000000, 0.0000111000000000, 0.0004048500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1733848300000000 ] - [ 0.0000000000000000, 0.0000970700000000, -0.0004650800000000 ] - [ -0.0000840700000000, -0.0000485400000000, -0.0004650800000000 ] - [ 0.0000840700000000, -0.0000485400000000, -0.0004650800000000 ] - [ -0.0002386200000000, 0.0001377700000000, -0.0000175700000000 ] - [ 0.0002386200000000, 0.0001377700000000, -0.0000175700000000 ] - [ 0.0000000000000000, -0.0002755400000000, -0.0000175700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006492200000000 ] - [ -0.0002402700000000, 0.0001387200000000, 0.0005306300000000 ] - [ 0.0002402700000000, 0.0001387200000000, 0.0005306300000000 ] - [ 0.0000000000000000, -0.0002774400000000, 0.0005306300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001560700000000 ] - [ 0.0000000000000000, 0.0490843500000000, -0.0394453100000000 ] - [ 0.0000000000000000, 0.0002522400000000, 0.0000086500000000 ] - [ 0.0001859900000000, 0.0004518600000000, -0.0002632700000000 ] - [ -0.0001859900000000, 0.0004518600000000, -0.0002632700000000 ] - [ 0.0000000000000000, 0.0003092600000000, 0.0001001700000000 ] - [ 0.0000000000000000, 0.0002917000000000, 0.0001069500000000 ] - [ 0.0000014900000000, 0.0003147800000000, 0.0000996500000000 ] - [ -0.0000014900000000, 0.0003147800000000, 0.0000996500000000 ] - [ 0.0425082900000000, -0.0245421700000000, -0.0394453100000000 ] - [ 0.0002983200000000, -0.0003870000000000, -0.0002632700000000 ] - [ 0.0004843200000000, -0.0000648500000000, -0.0002632700000000 ] - [ 0.0002184400000000, -0.0001261200000000, 0.0000086500000000 ] - [ 0.0002678300000000, -0.0001546300000000, 0.0001001700000000 ] - [ 0.0002718600000000, -0.0001586800000000, 0.0000996500000000 ] - [ 0.0002733500000000, -0.0001561000000000, 0.0000996500000000 ] - [ 0.0002526200000000, -0.0001458500000000, 0.0001069500000000 ] - [ -0.0425082900000000, -0.0245421700000000, -0.0394453100000000 ] - [ -0.0002983200000000, -0.0003870000000000, -0.0002632700000000 ] - [ -0.0002184400000000, -0.0001261200000000, 0.0000086500000000 ] - [ -0.0004843200000000, -0.0000648500000000, -0.0002632700000000 ] - [ -0.0002678300000000, -0.0001546300000000, 0.0001001700000000 ] - [ -0.0002718600000000, -0.0001586800000000, 0.0000996500000000 ] - [ -0.0002526200000000, -0.0001458500000000, 0.0001069500000000 ] - [ -0.0002733500000000, -0.0001561000000000, 0.0000996500000000 ] - [ -0.0000016800000000, -0.0003253300000000, 0.0001561000000000 ] - [ 0.0000016800000000, -0.0003253300000000, 0.0001561000000000 ] - [ 0.0000000000000000, -0.0003345300000000, -0.0000574500000000 ] - [ 0.0000000000000000, -0.0002713800000000, 0.0001758200000000 ] - [ 0.0000310700000000, -0.0001867500000000, 0.0000972100000000 ] - [ -0.0000310700000000, -0.0001867500000000, 0.0000972100000000 ] - [ 0.0000000000000000, -0.0006109900000000, 0.0001026800000000 ] - [ 0.0000000000000000, -0.0003958400000000, 0.0000616200000000 ] - [ -0.0002897100000000, 0.0001672600000000, -0.0000574500000000 ] - [ -0.0002809000000000, 0.0001641200000000, 0.0001561000000000 ] - [ -0.0002825900000000, 0.0001612100000000, 0.0001561000000000 ] - [ -0.0002350200000000, 0.0001356900000000, 0.0001758200000000 ] - [ -0.0005291300000000, 0.0003054900000000, 0.0001026800000000 ] - [ -0.0001772700000000, 0.0000664700000000, 0.0000972100000000 ] - [ -0.0001462000000000, 0.0001202800000000, 0.0000972100000000 ] - [ -0.0003428100000000, 0.0001979200000000, 0.0000616200000000 ] - [ 0.0002809000000000, 0.0001641200000000, 0.0001561000000000 ] - [ 0.0002897100000000, 0.0001672600000000, -0.0000574500000000 ] - [ 0.0002825900000000, 0.0001612100000000, 0.0001561000000000 ] - [ 0.0002350200000000, 0.0001356900000000, 0.0001758200000000 ] - [ 0.0001772700000000, 0.0000664700000000, 0.0000972100000000 ] - [ 0.0005291300000000, 0.0003054900000000, 0.0001026800000000 ] - [ 0.0001462000000000, 0.0001202800000000, 0.0000972100000000 ] - [ 0.0003428100000000, 0.0001979200000000, 0.0000616200000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0014419100000000, 0.0000021900000000, -0.0002691300000000 ] - [ -0.0000238200000000, 0.0000023400000000, -0.0002134100000000 ] - [ -0.0000049200000000, 0.0000136200000000, -0.0002335000000000 ] - [ -0.0000024800000000, -0.0000102300000000, -0.0002017000000000 ] - [ 0.0002463700000000, 0.0000018300000000, -0.0002147200000000 ] - [ -0.0001893500000000, 0.0000016400000000, -0.0002188200000000 ] - [ 0.0000018800000000, 0.0001116700000000, -0.0002146600000000 ] - [ 0.0000015100000000, -0.0001089100000000, -0.0002154200000000 ] - [ 0.0000052600000000, -0.0000086400000000, -0.0002174200000000 ] - [ 0.0000053300000000, 0.0000059100000000, -0.0002195200000000 ] - [ -0.0000078200000000, -0.0000015800000000, -0.0002166900000000 ] - [ 0.0000110200000000, -0.0000007100000000, -0.0002172400000000 ] - [ -0.0006761900000000, 0.0008298200000000, -0.0000099300000000 ] - [ -0.0006743700000000, -0.0008240500000000, -0.0004153700000000 ] - [ 0.0007571500000000, -0.0000083000000000, -0.0002156800000000 ] - [ -0.0001160500000000, -0.0000021700000000, -0.0002166800000000 ] - [ -0.0000155500000000, -0.0000010700000000, -0.0002156300000000 ] - [ 0.0000202400000000, -0.0000009700000000, -0.0002156000000000 ] - [ 0.0000002200000000, -0.0000118500000000, -0.0002347500000000 ] - [ 0.0000007800000000, 0.0000106000000000, -0.0001968400000000 ] - [ 0.0212972400000000, 0.0000457800000000, 0.0004035400000000 ] - [ -0.0000231700000000, 0.0000032000000000, -0.0002112000000000 ] - [ -0.0000074800000000, 0.0000077900000000, -0.0001274000000000 ] - [ -0.0000044000000000, -0.0000120600000000, -0.0002970100000000 ] - [ 0.0000401100000000, -0.0000424800000000, -0.0004524600000000 ] - [ 0.0000420100000000, 0.0000483100000000, 0.0000255700000000 ] - [ -0.0000372100000000, -0.0000003900000000, -0.0002141100000000 ] - [ -0.0000044900000000, 0.0000005700000000, -0.0002164400000000 ] - [ 0.0001614200000000, -0.0001092500000000, -0.0004564700000000 ] - [ 0.0001619600000000, 0.0001107000000000, 0.0000224600000000 ] - [ -0.0000287300000000, 0.0000004300000000, -0.0002164800000000 ] - [ -0.0000314700000000, 0.0000008300000000, -0.0002164000000000 ] - [ -0.0195252800000000, 0.0000052400000000, -0.0003010700000000 ] - [ 0.0001686000000000, 0.0000000200000000, 0.0002393800000000 ] - [ 0.0000152000000000, -0.0000886700000000, 0.0002649500000000 ] - [ 0.0000153100000000, 0.0000883700000000, 0.0002113500000000 ] - [ -0.0000040200000000, -0.0000000600000000, 0.0002420900000000 ] - [ 0.0000068000000000, -0.0000002100000000, 0.0002420300000000 ] - [ -0.0000018500000000, -0.0000051200000000, 0.0002589100000000 ] - [ -0.0000019700000000, 0.0000049600000000, 0.0002230900000000 ] - [ 0.0000514200000000, -0.0000399600000000, 0.0001721600000000 ] - [ 0.0000539400000000, 0.0000403800000000, 0.0003085100000000 ] - [ -0.0000169100000000, -0.0000014100000000, 0.0002437500000000 ] - [ 0.0000015000000000, -0.0000000500000000, 0.0002384600000000 ] - [ 0.0000526200000000, -0.0000403000000000, 0.0006209900000000 ] - [ 0.0000526500000000, 0.0000399900000000, -0.0001349500000000 ] - [ -0.0000169600000000, -0.0000001400000000, 0.0002416900000000 ] - [ 0.0000014500000000, 0.0000000000000000, 0.0002429800000000 ] - [ -0.0000009600000000, 0.0003356100000000, 0.0000632500000000 ] - [ 0.0000009100000000, 0.0003356000000000, 0.0000632700000000 ] - [ -0.0000002500000000, 0.0003326100000000, 0.0000709200000000 ] - [ 0.0000001000000000, 0.0003356100000000, 0.0000569200000000 ] - [ 0.0006220200000000, 0.0003279400000000, 0.0000606700000000 ] - [ 0.0000507800000000, 0.0003345300000000, 0.0000633100000000 ] - [ -0.0000967900000000, 0.0004389100000000, 0.0000719900000000 ] - [ -0.0000954500000000, 0.0002330800000000, 0.0000527200000000 ] - [ 0.0002877200000000, -0.0001669000000000, 0.0000682400000000 ] - [ 0.0002937200000000, -0.0001689100000000, 0.0000587900000000 ] - [ 0.0002902700000000, -0.0001685600000000, 0.0000664900000000 ] - [ 0.0002880100000000, -0.0001656800000000, 0.0000625200000000 ] - [ -0.0000252900000000, 0.0003459100000000, -0.0145209500000000 ] - [ 0.0001638100000000, -0.0002121200000000, 0.0000614300000000 ] - [ 0.0003045500000000, -0.0001688200000000, 0.0000723000000000 ] - [ 0.0002727200000000, -0.0001278900000000, 0.0000721500000000 ] - [ -0.0002932700000000, -0.0001689200000000, 0.0000587600000000 ] - [ -0.0002880100000000, -0.0001670800000000, 0.0000679700000000 ] - [ -0.0002905200000000, -0.0001680100000000, 0.0000658100000000 ] - [ -0.0002885900000000, -0.0001657800000000, 0.0000615800000000 ] - [ -0.0005940200000000, -0.0007297000000000, 0.0146065500000000 ] - [ -0.0004203400000000, -0.0001249600000000, 0.0000622400000000 ] - [ -0.0003060300000000, -0.0002055800000000, 0.0000550400000000 ] - [ -0.0002751900000000, -0.0001647700000000, 0.0000538600000000 ] - [ -0.0000004100000000, -0.0003416500000000, -0.0000109400000000 ] - [ 0.0000003900000000, -0.0003242200000000, 0.0001418400000000 ] - [ 0.0000132300000000, -0.0003373400000000, 0.0000632800000000 ] - [ 0.0000032200000000, -0.0003325400000000, 0.0000644600000000 ] - [ 0.0000023000000000, -0.0003136300000000, 0.0000762700000000 ] - [ 0.0000021900000000, -0.0003571500000000, 0.0000509600000000 ] - [ -0.0000529700000000, -0.0003347600000000, 0.0000635700000000 ] - [ 0.0000207600000000, -0.0003358600000000, 0.0000634900000000 ] - [ -0.0002744800000000, 0.0001655200000000, 0.0000869300000000 ] - [ -0.0002528500000000, 0.0001545800000000, 0.0001353100000000 ] - [ -0.0002713500000000, 0.0001482700000000, 0.0000567500000000 ] - [ -0.0002910600000000, 0.0001698000000000, 0.0000618100000000 ] - [ -0.0002705100000000, 0.0001254900000000, 0.0002246000000000 ] - [ -0.0003192500000000, 0.0002022400000000, 0.0000008800000000 ] - [ -0.0003138200000000, 0.0001654800000000, 0.0000138600000000 ] - [ -0.0002751800000000, 0.0001706500000000, 0.0000824000000000 ] - [ 0.0003212600000000, 0.0001770000000000, -0.0000043500000000 ] - [ 0.0003036200000000, 0.0001671100000000, 0.0000420800000000 ] - [ 0.0003095600000000, 0.0001876500000000, 0.0000699500000000 ] - [ 0.0002851100000000, 0.0001628000000000, 0.0000675700000000 ] - [ 0.0002623400000000, 0.0001332500000000, 0.0001266600000000 ] - [ 0.0003110900000000, 0.0002101900000000, -0.0000974900000000 ] - [ 0.0002652300000000, 0.0001687200000000, 0.0001144000000000 ] - [ 0.0003061300000000, 0.0001647000000000, 0.0000446700000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0099578900000000 ] - [ 0.0000000000000000, 0.0002305700000000, 0.0003727200000000 ] - [ -0.0001996800000000, -0.0001152800000000, 0.0003727200000000 ] - [ 0.0001996800000000, -0.0001152800000000, 0.0003727200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013111200000000 ] - [ 0.0000000000000000, -0.0001430300000000, -0.0006947700000000 ] - [ 0.0001238700000000, 0.0000715200000000, -0.0006947700000000 ] - [ -0.0001238700000000, 0.0000715200000000, -0.0006947700000000 ] - [ -0.0000011700000000, 0.0000006800000000, -0.0009001900000000 ] - [ 0.0000011700000000, 0.0000006800000000, -0.0009001900000000 ] - [ 0.0000000000000000, -0.0000013600000000, -0.0009001900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006177100000000 ] - [ -0.0016344700000000, 0.0009436600000000, 0.0009817500000000 ] - [ 0.0016344700000000, 0.0009436600000000, 0.0009817500000000 ] - [ 0.0000000000000000, -0.0018873300000000, 0.0009817500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001100300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003986900000000 ] - [ 0.0000000000000000, 0.0000166800000000, -0.0003840200000000 ] - [ -0.0000144400000000, -0.0000083400000000, -0.0003840200000000 ] - [ 0.0000144400000000, -0.0000083400000000, -0.0003840200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1736412500000000 ] - [ 0.0000000000000000, 0.0003706600000000, 0.0004895000000000 ] - [ -0.0003210000000000, -0.0001853300000000, 0.0004895000000000 ] - [ 0.0003210000000000, -0.0001853300000000, 0.0004895000000000 ] - [ -0.0001727400000000, 0.0000997300000000, 0.0000443200000000 ] - [ 0.0001727400000000, 0.0000997300000000, 0.0000443200000000 ] - [ 0.0000000000000000, -0.0001994700000000, 0.0000443200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006397600000000 ] - [ 0.0003116100000000, -0.0001799100000000, -0.0005039000000000 ] - [ -0.0003116100000000, -0.0001799100000000, -0.0005039000000000 ] - [ 0.0000000000000000, 0.0003598200000000, -0.0005039000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001291000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2090879600000000 ] - [ 0.0000000000000000, -0.0000314300000000, -0.0005933200000000 ] - [ 0.0000272200000000, 0.0000157200000000, -0.0005933200000000 ] - [ -0.0000272200000000, 0.0000157200000000, -0.0005933200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007542100000000 ] - [ 0.0000000000000000, -0.0000194500000000, 0.0006989100000000 ] - [ 0.0000168500000000, 0.0000097300000000, 0.0006989100000000 ] - [ -0.0000168500000000, 0.0000097300000000, 0.0006989100000000 ] - [ -0.0003785700000000, 0.0002185700000000, 0.0008393900000000 ] - [ 0.0003785700000000, 0.0002185700000000, 0.0008393900000000 ] - [ 0.0000000000000000, -0.0004371300000000, 0.0008393900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003561200000000 ] - [ 0.0000666800000000, -0.0000385000000000, 0.0008495800000000 ] - [ -0.0000666800000000, -0.0000385000000000, 0.0008495800000000 ] - [ 0.0000000000000000, 0.0000770000000000, 0.0008495800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003770200000000 ] - [ 0.0000000000000000, 0.0002572100000000, 0.0001749200000000 ] - [ 0.0000000000000000, 0.0002460400000000, 0.0001636800000000 ] - [ -0.0000002900000000, 0.0002753900000000, 0.0001701100000000 ] - [ 0.0000002900000000, 0.0002753900000000, 0.0001701100000000 ] - [ 0.0000000000000000, 0.0005773500000000, 0.0062462600000000 ] - [ 0.0000000000000000, 0.0003871800000000, -0.0000962500000000 ] - [ 0.0000893700000000, 0.0004603100000000, -0.0002315600000000 ] - [ -0.0000893700000000, 0.0004603100000000, -0.0002315600000000 ] - [ 0.0002227500000000, -0.0001286100000000, 0.0001749200000000 ] - [ 0.0002386400000000, -0.0001374500000000, 0.0001701100000000 ] - [ 0.0002383600000000, -0.0001379400000000, 0.0001701100000000 ] - [ 0.0002130800000000, -0.0001230200000000, 0.0001636800000000 ] - [ 0.0005000000000000, -0.0002886800000000, 0.0062462600000000 ] - [ 0.0003539500000000, -0.0003075600000000, -0.0002315600000000 ] - [ 0.0004433300000000, -0.0001527500000000, -0.0002315600000000 ] - [ 0.0003353100000000, -0.0001935900000000, -0.0000962500000000 ] - [ -0.0002227500000000, -0.0001286100000000, 0.0001749200000000 ] - [ -0.0002386400000000, -0.0001374500000000, 0.0001701100000000 ] - [ -0.0002130800000000, -0.0001230200000000, 0.0001636800000000 ] - [ -0.0002383600000000, -0.0001379400000000, 0.0001701100000000 ] - [ -0.0005000000000000, -0.0002886800000000, 0.0062462600000000 ] - [ -0.0003539500000000, -0.0003075600000000, -0.0002315600000000 ] - [ -0.0003353100000000, -0.0001935900000000, -0.0000962500000000 ] - [ -0.0004433300000000, -0.0001527500000000, -0.0002315600000000 ] - [ 0.0000579300000000, -0.0000994100000000, 0.0002476100000000 ] - [ -0.0000579300000000, -0.0000994100000000, 0.0002476100000000 ] - [ 0.0000000000000000, -0.0006595500000000, 0.0001504000000000 ] - [ 0.0000000000000000, -0.0003605400000000, 0.0001162300000000 ] - [ 0.0000099100000000, -0.0002641200000000, 0.0001404000000000 ] - [ -0.0000099100000000, -0.0002641200000000, 0.0001404000000000 ] - [ 0.0000000000000000, -0.0002431800000000, 0.0003060100000000 ] - [ 0.0000000000000000, -0.0003024000000000, 0.0000816400000000 ] - [ -0.0005711900000000, 0.0003297800000000, 0.0001504000000000 ] - [ -0.0001150600000000, -0.0000004600000000, 0.0002476100000000 ] - [ -0.0000571300000000, 0.0000998800000000, 0.0002476100000000 ] - [ -0.0003122400000000, 0.0001802700000000, 0.0001162300000000 ] - [ -0.0002106000000000, 0.0001215900000000, 0.0003060100000000 ] - [ -0.0002337000000000, 0.0001234800000000, 0.0001404000000000 ] - [ -0.0002237800000000, 0.0001406500000000, 0.0001404000000000 ] - [ -0.0002618800000000, 0.0001512000000000, 0.0000816400000000 ] - [ 0.0001150600000000, -0.0000004600000000, 0.0002476100000000 ] - [ 0.0005711900000000, 0.0003297800000000, 0.0001504000000000 ] - [ 0.0000571300000000, 0.0000998800000000, 0.0002476100000000 ] - [ 0.0003122400000000, 0.0001802700000000, 0.0001162300000000 ] - [ 0.0002337000000000, 0.0001234800000000, 0.0001404000000000 ] - [ 0.0002106000000000, 0.0001215900000000, 0.0003060100000000 ] - [ 0.0002237800000000, 0.0001406500000000, 0.0001404000000000 ] - [ 0.0002618800000000, 0.0001512000000000, 0.0000816400000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0097940900000000 ] - [ 0.0000000000000000, -0.0002272500000000, -0.0007934800000000 ] - [ 0.0001968100000000, 0.0001136300000000, -0.0007934800000000 ] - [ -0.0001968100000000, 0.0001136300000000, -0.0007934800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008756400000000 ] - [ 0.0000000000000000, 0.0001421500000000, 0.0002632500000000 ] - [ -0.0001231000000000, -0.0000710700000000, 0.0002632500000000 ] - [ 0.0001231000000000, -0.0000710700000000, 0.0002632500000000 ] - [ 0.0000018800000000, -0.0000010900000000, 0.0004717600000000 ] - [ -0.0000018800000000, -0.0000010900000000, 0.0004717600000000 ] - [ 0.0000000000000000, 0.0000021700000000, 0.0004717600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001882300000000 ] - [ 0.0016197300000000, -0.0009351500000000, -0.0014107900000000 ] - [ -0.0016197300000000, -0.0009351500000000, -0.0014107900000000 ] - [ 0.0000000000000000, 0.0018703000000000, -0.0014107900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005363600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000319700000000 ] - [ 0.0000000000000000, -0.0000155900000000, -0.0000470200000000 ] - [ 0.0000135000000000, 0.0000078000000000, -0.0000470200000000 ] - [ -0.0000135000000000, 0.0000078000000000, -0.0000470200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1843226600000000 ] - [ 0.0000000000000000, -0.0003676600000000, -0.0009135000000000 ] - [ 0.0003184000000000, 0.0001838300000000, -0.0009135000000000 ] - [ -0.0003184000000000, 0.0001838300000000, -0.0009135000000000 ] - [ 0.0001691100000000, -0.0000976400000000, -0.0004678500000000 ] - [ -0.0001691100000000, -0.0000976400000000, -0.0004678500000000 ] - [ 0.0000000000000000, 0.0001952700000000, -0.0004678500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002064700000000 ] - [ -0.0003087800000000, 0.0001782700000000, 0.0000717700000000 ] - [ 0.0003087800000000, 0.0001782700000000, 0.0000717700000000 ] - [ 0.0000000000000000, -0.0003565500000000, 0.0000717700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003016500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.2190249000000000 ] - [ 0.0000000000000000, 0.0000310900000000, 0.0010699800000000 ] - [ -0.0000269300000000, -0.0000155500000000, 0.0010699800000000 ] - [ 0.0000269300000000, -0.0000155500000000, 0.0010699800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002679000000000 ] - [ 0.0000000000000000, 0.0000193300000000, -0.0002144700000000 ] - [ -0.0000167400000000, -0.0000096600000000, -0.0002144700000000 ] - [ 0.0000167400000000, -0.0000096600000000, -0.0002144700000000 ] - [ 0.0003744100000000, -0.0002161600000000, -0.0003575800000000 ] - [ -0.0003744100000000, -0.0002161600000000, -0.0003575800000000 ] - [ 0.0000000000000000, 0.0004323300000000, -0.0003575800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001106700000000 ] - [ -0.0000660500000000, 0.0000381300000000, -0.0003584800000000 ] - [ 0.0000660500000000, 0.0000381300000000, -0.0003584800000000 ] - [ 0.0000000000000000, -0.0000762700000000, -0.0003584800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001112400000000 ] - [ 0.0000000000000000, 0.0004155900000000, -0.0000495200000000 ] - [ 0.0000000000000000, 0.0004242800000000, -0.0000373700000000 ] - [ 0.0000000800000000, 0.0003962600000000, -0.0000441700000000 ] - [ -0.0000000800000000, 0.0003962600000000, -0.0000441700000000 ] - [ 0.0000000000000000, 0.0000732500000000, -0.0060723500000000 ] - [ 0.0000000000000000, 0.0002856100000000, 0.0002203300000000 ] - [ -0.0000887000000000, 0.0002135200000000, 0.0003545000000000 ] - [ 0.0000887000000000, 0.0002135200000000, 0.0003545000000000 ] - [ 0.0003599200000000, -0.0002078000000000, -0.0000495200000000 ] - [ 0.0003431300000000, -0.0001982000000000, -0.0000441700000000 ] - [ 0.0003432100000000, -0.0001980600000000, -0.0000441700000000 ] - [ 0.0003674400000000, -0.0002121400000000, -0.0000373700000000 ] - [ 0.0000634400000000, -0.0000366300000000, -0.0060723500000000 ] - [ 0.0002292700000000, -0.0000299400000000, 0.0003545000000000 ] - [ 0.0001405600000000, -0.0001835800000000, 0.0003545000000000 ] - [ 0.0002473500000000, -0.0001428100000000, 0.0002203300000000 ] - [ -0.0003599200000000, -0.0002078000000000, -0.0000495200000000 ] - [ -0.0003431300000000, -0.0001982000000000, -0.0000441700000000 ] - [ -0.0003674400000000, -0.0002121400000000, -0.0000373700000000 ] - [ -0.0003432100000000, -0.0001980600000000, -0.0000441700000000 ] - [ -0.0000634400000000, -0.0000366300000000, -0.0060723500000000 ] - [ -0.0002292700000000, -0.0000299400000000, 0.0003545000000000 ] - [ -0.0002473500000000, -0.0001428100000000, 0.0002203300000000 ] - [ -0.0001405600000000, -0.0001835800000000, 0.0003545000000000 ] - [ -0.0000567700000000, -0.0005677400000000, -0.0001185800000000 ] - [ 0.0000567700000000, -0.0005677400000000, -0.0001185800000000 ] - [ 0.0000000000000000, -0.0000112300000000, -0.0000234300000000 ] - [ 0.0000000000000000, -0.0003002500000000, 0.0000136900000000 ] - [ -0.0000097500000000, -0.0004106100000000, -0.0000156000000000 ] - [ 0.0000097500000000, -0.0004106100000000, -0.0000156000000000 ] - [ 0.0000000000000000, -0.0004321800000000, -0.0001803000000000 ] - [ 0.0000000000000000, -0.0003732200000000, 0.0000422400000000 ] - [ -0.0000097200000000, 0.0000056100000000, -0.0000234300000000 ] - [ -0.0004632900000000, 0.0003330400000000, -0.0001185800000000 ] - [ -0.0005200600000000, 0.0002347000000000, -0.0001185800000000 ] - [ -0.0002600200000000, 0.0001501200000000, 0.0000136900000000 ] - [ -0.0003742800000000, 0.0002160900000000, -0.0001803000000000 ] - [ -0.0003507200000000, 0.0002137500000000, -0.0000156000000000 ] - [ -0.0003604700000000, 0.0001968600000000, -0.0000156000000000 ] - [ -0.0003232200000000, 0.0001866100000000, 0.0000422400000000 ] - [ 0.0004632900000000, 0.0003330400000000, -0.0001185800000000 ] - [ 0.0000097200000000, 0.0000056100000000, -0.0000234300000000 ] - [ 0.0005200600000000, 0.0002347000000000, -0.0001185800000000 ] - [ 0.0002600200000000, 0.0001501200000000, 0.0000136900000000 ] - [ 0.0003507200000000, 0.0002137500000000, -0.0000156000000000 ] - [ 0.0003742800000000, 0.0002160900000000, -0.0001803000000000 ] - [ 0.0003604700000000, 0.0001968600000000, -0.0000156000000000 ] - [ 0.0003232200000000, 0.0001866100000000, 0.0000422400000000 ]- atom: 49 displacement: [ -0.0049999999998225, 0.0086602540379469, 0.0000000000000000 ] forces: - [ -0.0000086100000000, 0.0002535300000000, -0.0000245300000000 ] - [ 0.0000069300000000, 0.0001105400000000, -0.0001656000000000 ] - [ 0.0000703000000000, -0.0001524200000000, -0.0001781000000000 ] - [ -0.0000750900000000, -0.0001395000000000, -0.0001489900000000 ] - [ -0.0000784400000000, 0.0000386000000000, 0.0003227500000000 ] - [ 0.0000271900000000, -0.0000037500000000, -0.0002058800000000 ] - [ 0.0000530500000000, -0.0000545200000000, -0.0002137700000000 ] - [ -0.0000478400000000, -0.0000094900000000, -0.0003156400000000 ] - [ -0.0015666500000000, 0.0005128000000000, -0.0006450100000000 ] - [ -0.0017628800000000, 0.0013836600000000, -0.0009445700000000 ] - [ -0.0010172500000000, -0.0020562500000000, -0.0007451500000000 ] - [ 0.0001934300000000, -0.0000660500000000, -0.0002660100000000 ] - [ -0.0000022000000000, -0.0000069800000000, -0.0001246800000000 ] - [ 0.0000059200000000, -0.0000082100000000, -0.0001201600000000 ] - [ 0.0000033100000000, 0.0000032800000000, -0.0001337600000000 ] - [ 0.0000013800000000, 0.0000078300000000, -0.0001577300000000 ] - [ -0.0146453600000000, 0.1335341200000000, -0.0410189000000000 ] - [ -0.0000320400000000, 0.0001764400000000, -0.0001416400000000 ] - [ -0.0008203900000000, 0.0013985800000000, -0.0002163400000000 ] - [ 0.0001483300000000, 0.0008738200000000, -0.0004053700000000 ] - [ 0.0000020000000000, -0.0000178900000000, -0.0001893200000000 ] - [ 0.0000004200000000, -0.0000123500000000, -0.0001802700000000 ] - [ -0.0000055200000000, 0.0000139200000000, -0.0001993000000000 ] - [ 0.0000081900000000, 0.0000132000000000, -0.0002010400000000 ] - [ -0.0001902600000000, 0.0000773500000000, -0.0001003500000000 ] - [ 0.0001714800000000, 0.0000710400000000, -0.0000727600000000 ] - [ 0.0000310700000000, 0.0000771400000000, -0.0004519200000000 ] - [ -0.0000153200000000, -0.0000261600000000, -0.0002660300000000 ] - [ 0.0000298600000000, 0.0000136300000000, -0.0002080400000000 ] - [ -0.0000315400000000, 0.0000404900000000, -0.0002098000000000 ] - [ -0.0000511000000000, -0.0000244700000000, -0.0002180300000000 ] - [ 0.0000145300000000, -0.0000274400000000, -0.0001682700000000 ] - [ 0.0000004400000000, -0.0000031600000000, 0.0001715700000000 ] - [ -0.0000005500000000, -0.0000002500000000, 0.0001635100000000 ] - [ -0.0000027100000000, 0.0000019200000000, 0.0001873700000000 ] - [ 0.0000027000000000, 0.0000009500000000, 0.0001874200000000 ] - [ -0.0003026300000000, -0.0004888200000000, 0.0004179200000000 ] - [ -0.0000259000000000, -0.0000344400000000, 0.0002838200000000 ] - [ 0.0001411700000000, -0.0000707200000000, 0.0003017400000000 ] - [ -0.0000416800000000, -0.0000068300000000, 0.0003890900000000 ] - [ -0.0000092500000000, 0.0000364500000000, 0.0000622300000000 ] - [ 0.0000087200000000, 0.0000271700000000, 0.0000135500000000 ] - [ -0.0000065900000000, 0.0000111700000000, 0.0005235600000000 ] - [ -0.0000017100000000, -0.0000044600000000, 0.0002694600000000 ] - [ 0.0000188600000000, -0.0000237200000000, 0.0001825900000000 ] - [ -0.0000214200000000, -0.0000404400000000, 0.0001694900000000 ] - [ 0.0000261200000000, 0.0000407000000000, 0.0001566000000000 ] - [ -0.0000104600000000, 0.0000120600000000, 0.0002087800000000 ] - [ 0.0186859900000000, -0.1510452200000000, 0.0458922700000000 ] - [ -0.0000404800000000, 0.0002126600000000, 0.0001206000000000 ] - [ -0.0005980800000000, 0.0011434300000000, -0.0000501400000000 ] - [ 0.0003264100000000, 0.0006083000000000, 0.0001036600000000 ] - [ -0.0000000400000000, 0.0003414500000000, 0.0000541100000000 ] - [ -0.0000000300000000, 0.0003456100000000, 0.0000496100000000 ] - [ -0.0000005100000000, 0.0003429700000000, 0.0000475700000000 ] - [ 0.0000004900000000, 0.0003426100000000, 0.0000476400000000 ] - [ 0.0019041600000000, 0.0142304000000000, -0.0048069900000000 ] - [ 0.0002282400000000, -0.0002328200000000, 0.0000585600000000 ] - [ -0.0006331400000000, 0.0016634000000000, 0.0002109900000000 ] - [ 0.0003113900000000, -0.0001827000000000, 0.0000223600000000 ] - [ 0.0002992900000000, -0.0001739500000000, 0.0000458300000000 ] - [ 0.0002977600000000, -0.0001725200000000, 0.0000446900000000 ] - [ 0.0002934400000000, -0.0001690100000000, 0.0000568500000000 ] - [ 0.0002984800000000, -0.0001713100000000, 0.0000526400000000 ] - [ -0.0001950900000000, -0.0020050600000000, 0.0010391800000000 ] - [ -0.0002354500000000, -0.0002297800000000, 0.0000216800000000 ] - [ -0.0002294600000000, -0.0001324200000000, 0.0000379000000000 ] - [ 0.0002579300000000, 0.0005833500000000, 0.0002079200000000 ] - [ -0.0002986800000000, -0.0001735600000000, 0.0000456600000000 ] - [ -0.0002987600000000, -0.0001728900000000, 0.0000438500000000 ] - [ -0.0002983800000000, -0.0001709900000000, 0.0000523900000000 ] - [ -0.0002937100000000, -0.0001691100000000, 0.0000566300000000 ] - [ -0.0000169700000000, -0.0003790600000000, -0.0000085400000000 ] - [ 0.0000169000000000, -0.0003819800000000, -0.0000115900000000 ] - [ 0.0000068700000000, -0.0003079000000000, 0.0001823900000000 ] - [ -0.0000033800000000, -0.0003191700000000, 0.0000957500000000 ] - [ 0.0000001100000000, -0.0003757600000000, 0.0000367100000000 ] - [ -0.0000001500000000, -0.0003922900000000, 0.0000394200000000 ] - [ 0.0000068000000000, -0.0003065100000000, 0.0000481700000000 ] - [ -0.0000033900000000, -0.0003217100000000, 0.0000554300000000 ] - [ -0.0003501300000000, 0.0001486600000000, -0.0000771600000000 ] - [ -0.0003027300000000, 0.0001658500000000, 0.0000788600000000 ] - [ -0.0002623200000000, 0.0001676800000000, 0.0001275800000000 ] - [ -0.0002895400000000, 0.0001843400000000, 0.0000554100000000 ] - [ -0.0002773100000000, 0.0001599000000000, 0.0000474900000000 ] - [ -0.0003007400000000, 0.0001674400000000, 0.0000410700000000 ] - [ -0.0003069600000000, 0.0001780900000000, 0.0000525000000000 ] - [ -0.0003049400000000, 0.0001781100000000, 0.0000528300000000 ] - [ 0.0003005700000000, 0.0001702000000000, 0.0000750600000000 ] - [ 0.0003508900000000, 0.0001501500000000, -0.0000689100000000 ] - [ 0.0002689400000000, 0.0001639000000000, 0.0001001100000000 ] - [ 0.0002832600000000, 0.0001856900000000, 0.0000689000000000 ] - [ 0.0003058000000000, 0.0001759400000000, 0.0000381400000000 ] - [ 0.0002674100000000, 0.0001465700000000, 0.0000490900000000 ] - [ 0.0003516700000000, 0.0002049300000000, 0.0000379600000000 ] - [ 0.0002856000000000, 0.0001720000000000, 0.0000534000000000 ]- atom: 49 displacement: [ 0.0049999999998225, -0.0086602540379469, 0.0000000000000000 ] forces: - [ 0.0000037800000000, -0.0002526200000000, -0.0004150700000000 ] - [ -0.0000093100000000, -0.0001073400000000, -0.0002677800000000 ] - [ -0.0000758500000000, 0.0001553800000000, -0.0002557900000000 ] - [ 0.0000720000000000, 0.0001444700000000, -0.0002850500000000 ] - [ 0.0000738800000000, -0.0000307700000000, -0.0007473700000000 ] - [ -0.0000289000000000, 0.0000071700000000, -0.0002357200000000 ] - [ -0.0000561800000000, 0.0000555200000000, -0.0002225900000000 ] - [ 0.0000429600000000, 0.0000120000000000, -0.0001163500000000 ] - [ 0.0015085400000000, -0.0005232000000000, 0.0002087700000000 ] - [ 0.0017884200000000, -0.0013533100000000, 0.0005196200000000 ] - [ 0.0010354400000000, 0.0020491600000000, 0.0003162600000000 ] - [ -0.0001929600000000, 0.0000704200000000, -0.0001652400000000 ] - [ 0.0000062900000000, 0.0000048200000000, -0.0003084800000000 ] - [ -0.0000016300000000, 0.0000061300000000, -0.0003159900000000 ] - [ 0.0000004700000000, -0.0000054000000000, -0.0003002200000000 ] - [ 0.0000033800000000, -0.0000100300000000, -0.0002786300000000 ] - [ 0.0136876000000000, -0.1391741100000000, 0.0432253800000000 ] - [ 0.0000337000000000, -0.0001751900000000, -0.0002860900000000 ] - [ 0.0007863500000000, -0.0013486500000000, -0.0002073000000000 ] - [ -0.0001387700000000, -0.0008663000000000, -0.0000225000000000 ] - [ 0.0000007200000000, 0.0000161400000000, -0.0002406800000000 ] - [ 0.0000017600000000, 0.0000107000000000, -0.0002500200000000 ] - [ 0.0000078300000000, -0.0000150600000000, -0.0002310900000000 ] - [ -0.0000058900000000, -0.0000147800000000, -0.0002292400000000 ] - [ 0.0001840000000000, -0.0000755800000000, -0.0003270300000000 ] - [ -0.0001769300000000, -0.0000715400000000, -0.0003619000000000 ] - [ -0.0000345600000000, -0.0000749700000000, 0.0000226600000000 ] - [ 0.0000133400000000, 0.0000282600000000, -0.0001641500000000 ] - [ -0.0000310900000000, -0.0000113000000000, -0.0002223700000000 ] - [ 0.0000281900000000, -0.0000387700000000, -0.0002211300000000 ] - [ 0.0000493300000000, 0.0000263600000000, -0.0002133600000000 ] - [ -0.0000171900000000, 0.0000285900000000, -0.0002624500000000 ] - [ -0.0000005000000000, 0.0000029800000000, 0.0003097000000000 ] - [ 0.0000004000000000, 0.0000000700000000, 0.0003180400000000 ] - [ 0.0000026000000000, -0.0000019800000000, 0.0002922800000000 ] - [ -0.0000027400000000, -0.0000011600000000, 0.0002935800000000 ] - [ 0.0003195400000000, 0.0005855300000000, -0.0000183100000000 ] - [ 0.0000249100000000, 0.0000341000000000, 0.0001975700000000 ] - [ -0.0001339200000000, 0.0000663800000000, 0.0001804300000000 ] - [ 0.0000410400000000, 0.0000061900000000, 0.0000875400000000 ] - [ 0.0000095000000000, -0.0000358400000000, 0.0004072800000000 ] - [ -0.0000099600000000, -0.0000279700000000, 0.0004738800000000 ] - [ 0.0000067000000000, -0.0000107600000000, -0.0000398200000000 ] - [ 0.0000014000000000, 0.0000042100000000, 0.0002072800000000 ] - [ -0.0000193600000000, 0.0000229400000000, 0.0003055900000000 ] - [ 0.0000213500000000, 0.0000400100000000, 0.0003108600000000 ] - [ -0.0000268200000000, -0.0000400200000000, 0.0003249900000000 ] - [ 0.0000104200000000, -0.0000119200000000, 0.0002739800000000 ] - [ -0.0177223200000000, 0.1572323400000000, -0.0483444300000000 ] - [ 0.0000393100000000, 0.0004579300000000, 0.0000061500000000 ] - [ 0.0005920700000000, -0.0004660200000000, 0.0001763700000000 ] - [ -0.0003231800000000, 0.0000597000000000, 0.0000247700000000 ] - [ -0.0000000500000000, 0.0003272300000000, 0.0000734200000000 ] - [ 0.0000001400000000, 0.0003236500000000, 0.0000777700000000 ] - [ 0.0000003700000000, 0.0003237600000000, 0.0000805100000000 ] - [ -0.0000003200000000, 0.0003252600000000, 0.0000803600000000 ] - [ -0.0013078000000000, -0.0147688100000000, 0.0049823100000000 ] - [ 0.0003499300000000, -0.0001029100000000, 0.0000681100000000 ] - [ 0.0012104900000000, -0.0019861400000000, -0.0000864400000000 ] - [ 0.0002631600000000, -0.0001509500000000, 0.0001068000000000 ] - [ 0.0002794600000000, -0.0001605800000000, 0.0000824200000000 ] - [ 0.0002812300000000, -0.0001618300000000, 0.0000837900000000 ] - [ 0.0002843000000000, -0.0001648700000000, 0.0000720400000000 ] - [ 0.0002803600000000, -0.0001629900000000, 0.0000758400000000 ] - [ -0.0003472000000000, 0.0017924400000000, -0.0009447400000000 ] - [ -0.0003511900000000, -0.0001072300000000, 0.0001043000000000 ] - [ -0.0003463600000000, -0.0002068500000000, 0.0000862000000000 ] - [ -0.0008306600000000, -0.0009158200000000, -0.0000783500000000 ] - [ -0.0002805100000000, -0.0001608300000000, 0.0000821100000000 ] - [ -0.0002805200000000, -0.0001614900000000, 0.0000836200000000 ] - [ -0.0002799000000000, -0.0001627600000000, 0.0000757300000000 ] - [ -0.0002848400000000, -0.0001649000000000, 0.0000713300000000 ] - [ 0.0000169300000000, -0.0002820200000000, 0.0001379600000000 ] - [ -0.0000168100000000, -0.0002857400000000, 0.0001397800000000 ] - [ -0.0000067300000000, -0.0003641600000000, -0.0000563400000000 ] - [ 0.0000032300000000, -0.0003456800000000, 0.0000332900000000 ] - [ 0.0000000200000000, -0.0002991900000000, 0.0000883600000000 ] - [ 0.0000000900000000, -0.0002759600000000, 0.0000884100000000 ] - [ -0.0000066600000000, -0.0003625100000000, 0.0000787900000000 ] - [ 0.0000031700000000, -0.0003488600000000, 0.0000713600000000 ] - [ -0.0002227700000000, 0.0001816600000000, 0.0002055500000000 ] - [ -0.0002757300000000, 0.0001677300000000, 0.0000508900000000 ] - [ -0.0003198300000000, 0.0001684900000000, -0.0000011000000000 ] - [ -0.0002860600000000, 0.0001478600000000, 0.0000744300000000 ] - [ -0.0003070000000000, 0.0001772400000000, 0.0000784000000000 ] - [ -0.0002780100000000, 0.0001662500000000, 0.0000874800000000 ] - [ -0.0002735700000000, 0.0001571400000000, 0.0000750400000000 ] - [ -0.0002761200000000, 0.0001569900000000, 0.0000745800000000 ] - [ 0.0002720900000000, 0.0001605700000000, 0.0000549200000000 ] - [ 0.0002272800000000, 0.0001831900000000, 0.0001997600000000 ] - [ 0.0003130900000000, 0.0001723200000000, 0.0000256600000000 ] - [ 0.0002920900000000, 0.0001467300000000, 0.0000602800000000 ] - [ 0.0002780200000000, 0.0001613600000000, 0.0000872400000000 ] - [ 0.0003110300000000, 0.0001871700000000, 0.0000786900000000 ] - [ 0.0002282500000000, 0.0001298100000000, 0.0000892200000000 ] - [ 0.0002947500000000, 0.0001633200000000, 0.0000734000000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000200500000000, -0.0003904200000000 ] - [ 0.0000000000000000, -0.0000334200000000, -0.0003113600000000 ] - [ 0.0000204900000000, 0.0000200100000000, -0.0003471200000000 ] - [ -0.0000204900000000, 0.0000200100000000, -0.0003471200000000 ] - [ 0.0000000000000000, -0.0007837400000000, -0.0016021600000000 ] - [ 0.0000000000000000, 0.0000206000000000, -0.0001414300000000 ] - [ -0.0001574800000000, 0.0000978200000000, 0.0000032900000000 ] - [ 0.0001574800000000, 0.0000978200000000, 0.0000032900000000 ] - [ 0.0000524200000000, -0.0006192500000000, -0.0001334300000000 ] - [ -0.0000524200000000, -0.0006192500000000, -0.0001334300000000 ] - [ 0.0000000000000000, 0.0004082400000000, 0.0005421200000000 ] - [ 0.0000000000000000, 0.0002607900000000, -0.0001978700000000 ] - [ 0.0000044900000000, 0.0000024300000000, -0.0003360500000000 ] - [ -0.0000044900000000, 0.0000024300000000, -0.0003360500000000 ] - [ 0.0000000000000000, -0.0000058300000000, -0.0004305000000000 ] - [ 0.0000000000000000, -0.0000063600000000, -0.0003061300000000 ] - [ 0.0000000000000000, -0.0480327500000000, 0.0393631300000000 ] - [ 0.0000000000000000, -0.0001266500000000, -0.0001646700000000 ] - [ -0.0001829900000000, -0.0002017500000000, 0.0001056300000000 ] - [ 0.0001829900000000, -0.0002017500000000, 0.0001056300000000 ] - [ 0.0000000000000000, -0.0000007900000000, -0.0002569100000000 ] - [ 0.0000000000000000, 0.0000037800000000, -0.0002616100000000 ] - [ -0.0000019700000000, -0.0000024600000000, -0.0002539700000000 ] - [ 0.0000019700000000, -0.0000024600000000, -0.0002539700000000 ] - [ 0.0001554700000000, -0.0000116800000000, -0.0002521200000000 ] - [ -0.0001554700000000, -0.0000116800000000, -0.0002521200000000 ] - [ 0.0000000000000000, 0.0000145400000000, -0.0002593600000000 ] - [ 0.0000000000000000, -0.0000130100000000, -0.0002172000000000 ] - [ -0.0001187300000000, -0.0000830300000000, -0.0003112500000000 ] - [ 0.0001187300000000, -0.0000830300000000, -0.0003112500000000 ] - [ 0.0000000000000000, 0.0000100700000000, -0.0000950400000000 ] - [ 0.0000000000000000, 0.0000666900000000, -0.0003274100000000 ] - [ 0.0000000000000000, 0.0000052400000000, 0.0003506600000000 ] - [ 0.0000000000000000, -0.0000026000000000, 0.0003415800000000 ] - [ 0.0000075000000000, -0.0000012000000000, 0.0003438500000000 ] - [ -0.0000075000000000, -0.0000012000000000, 0.0003438500000000 ] - [ 0.0000000000000000, -0.0168899000000000, 0.0064476600000000 ] - [ 0.0000000000000000, 0.0000097800000000, 0.0000834000000000 ] - [ 0.0000084000000000, 0.0000055900000000, -0.0000513000000000 ] - [ -0.0000084000000000, 0.0000055900000000, -0.0000513000000000 ] - [ 0.0000759800000000, -0.0000363900000000, 0.0004183300000000 ] - [ -0.0000759800000000, -0.0000363900000000, 0.0004183300000000 ] - [ 0.0000000000000000, -0.0000246200000000, 0.0003321400000000 ] - [ 0.0000000000000000, 0.0000033000000000, 0.0002778400000000 ] - [ -0.0000124300000000, 0.0000656100000000, 0.0003195500000000 ] - [ 0.0000124300000000, 0.0000656100000000, 0.0003195500000000 ] - [ 0.0000000000000000, -0.0001866300000000, 0.0004860000000000 ] - [ 0.0000000000000000, -0.0000217800000000, 0.0002604700000000 ] - [ 0.0000000000000000, 0.0548869000000000, -0.0421317900000000 ] - [ 0.0000000000000000, 0.0004007900000000, 0.0000025400000000 ] - [ 0.0001508000000000, 0.0002930700000000, -0.0000190400000000 ] - [ -0.0001508000000000, 0.0002930700000000, -0.0000190400000000 ] - [ 0.0000000000000000, 0.0003220400000000, 0.0000884000000000 ] - [ 0.0000000000000000, 0.0003172100000000, 0.0000847300000000 ] - [ 0.0000000200000000, 0.0003128100000000, 0.0000889500000000 ] - [ -0.0000000200000000, 0.0003128100000000, 0.0000889500000000 ] - [ 0.0012831600000000, 0.0060970700000000, -0.0016477900000000 ] - [ 0.0002647500000000, -0.0001327400000000, 0.0000420400000000 ] - [ 0.0004321500000000, -0.0002567800000000, -0.0002534900000000 ] - [ 0.0002479500000000, -0.0001845600000000, 0.0000426500000000 ] - [ 0.0002709000000000, -0.0001561800000000, 0.0000883600000000 ] - [ 0.0002785600000000, -0.0001604900000000, 0.0000866600000000 ] - [ 0.0002799800000000, -0.0001618000000000, 0.0000891900000000 ] - [ 0.0002674400000000, -0.0001551600000000, 0.0000879200000000 ] - [ -0.0012831600000000, 0.0060970700000000, -0.0016477900000000 ] - [ -0.0002647500000000, -0.0001327400000000, 0.0000420400000000 ] - [ -0.0002479500000000, -0.0001845600000000, 0.0000426500000000 ] - [ -0.0004321500000000, -0.0002567800000000, -0.0002534900000000 ] - [ -0.0002709000000000, -0.0001561800000000, 0.0000883600000000 ] - [ -0.0002785600000000, -0.0001604900000000, 0.0000866600000000 ] - [ -0.0002674400000000, -0.0001551600000000, 0.0000879200000000 ] - [ -0.0002799800000000, -0.0001618000000000, 0.0000891900000000 ] - [ -0.0000013000000000, -0.0003035200000000, 0.0000990700000000 ] - [ 0.0000013000000000, -0.0003035200000000, 0.0000990700000000 ] - [ 0.0000000000000000, -0.0003190200000000, 0.0000963100000000 ] - [ 0.0000000000000000, -0.0003159000000000, 0.0000706600000000 ] - [ 0.0000027900000000, -0.0002497500000000, 0.0000979100000000 ] - [ -0.0000027900000000, -0.0002497500000000, 0.0000979100000000 ] - [ 0.0000000000000000, -0.0004726600000000, 0.0000956900000000 ] - [ 0.0000000000000000, -0.0003707700000000, 0.0000670600000000 ] - [ -0.0002635400000000, 0.0001682500000000, 0.0001414200000000 ] - [ -0.0002636000000000, 0.0001534700000000, 0.0000528800000000 ] - [ -0.0002760900000000, 0.0001586600000000, 0.0000991000000000 ] - [ -0.0002727200000000, 0.0001563800000000, 0.0000806900000000 ] - [ -0.0003268700000000, 0.0002202700000000, 0.0000993000000000 ] - [ -0.0003014000000000, 0.0001782900000000, 0.0000512600000000 ] - [ -0.0001555900000000, 0.0000817800000000, 0.0001417600000000 ] - [ -0.0002941500000000, 0.0001535000000000, 0.0000774500000000 ] - [ 0.0002636000000000, 0.0001534700000000, 0.0000528800000000 ] - [ 0.0002635400000000, 0.0001682500000000, 0.0001414200000000 ] - [ 0.0002760900000000, 0.0001586600000000, 0.0000991000000000 ] - [ 0.0002727200000000, 0.0001563800000000, 0.0000806900000000 ] - [ 0.0003014000000000, 0.0001782900000000, 0.0000512600000000 ] - [ 0.0003268700000000, 0.0002202700000000, 0.0000993000000000 ] - [ 0.0001555900000000, 0.0000817800000000, 0.0001417600000000 ] - [ 0.0002941500000000, 0.0001535000000000, 0.0000774500000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000241800000000, -0.0000431300000000 ] - [ 0.0000000000000000, 0.0000405100000000, -0.0001158900000000 ] - [ -0.0000235300000000, -0.0000190600000000, -0.0000765900000000 ] - [ 0.0000235300000000, -0.0000190600000000, -0.0000765900000000 ] - [ 0.0000000000000000, 0.0007735300000000, 0.0012016500000000 ] - [ 0.0000000000000000, -0.0000192200000000, -0.0002940100000000 ] - [ 0.0001543700000000, -0.0000930400000000, -0.0004236400000000 ] - [ -0.0001543700000000, -0.0000930400000000, -0.0004236400000000 ] - [ -0.0000334600000000, 0.0006372000000000, -0.0003123900000000 ] - [ 0.0000334600000000, 0.0006372000000000, -0.0003123900000000 ] - [ 0.0000000000000000, -0.0004281400000000, -0.0009461800000000 ] - [ 0.0000000000000000, -0.0002692200000000, -0.0002339100000000 ] - [ -0.0000055600000000, -0.0000045600000000, -0.0000832100000000 ] - [ 0.0000055600000000, -0.0000045600000000, -0.0000832100000000 ] - [ 0.0000000000000000, 0.0000037700000000, -0.0000040700000000 ] - [ 0.0000000000000000, 0.0000045200000000, -0.0001263100000000 ] - [ 0.0000000000000000, 0.0476476400000000, -0.0405462000000000 ] - [ 0.0000000000000000, 0.0001272300000000, -0.0002706100000000 ] - [ 0.0001856800000000, 0.0001996700000000, -0.0005425800000000 ] - [ -0.0001856800000000, 0.0001996700000000, -0.0005425800000000 ] - [ 0.0000000000000000, 0.0000000700000000, -0.0001782900000000 ] - [ 0.0000000000000000, -0.0000032600000000, -0.0001747300000000 ] - [ 0.0000022700000000, 0.0000015700000000, -0.0001819800000000 ] - [ -0.0000022700000000, 0.0000015700000000, -0.0001819800000000 ] - [ -0.0001624200000000, 0.0000132800000000, -0.0001822200000000 ] - [ 0.0001624200000000, 0.0000132800000000, -0.0001822200000000 ] - [ 0.0000000000000000, -0.0000117500000000, -0.0001780900000000 ] - [ 0.0000000000000000, 0.0000136400000000, -0.0002163900000000 ] - [ 0.0001170800000000, 0.0000833900000000, -0.0001261600000000 ] - [ -0.0001170800000000, 0.0000833900000000, -0.0001261600000000 ] - [ 0.0000000000000000, -0.0000085100000000, -0.0003398400000000 ] - [ 0.0000000000000000, -0.0000650300000000, -0.0001067300000000 ] - [ 0.0000000000000000, -0.0000052900000000, 0.0001257700000000 ] - [ 0.0000000000000000, 0.0000028000000000, 0.0001386900000000 ] - [ -0.0000077000000000, 0.0000009000000000, 0.0001298700000000 ] - [ 0.0000077000000000, 0.0000009000000000, 0.0001298700000000 ] - [ 0.0000000000000000, 0.0167448800000000, -0.0058745200000000 ] - [ 0.0000000000000000, -0.0000100000000000, 0.0003964400000000 ] - [ -0.0000106000000000, -0.0000040200000000, 0.0005329100000000 ] - [ 0.0000106000000000, -0.0000040200000000, 0.0005329100000000 ] - [ -0.0000783300000000, 0.0000371800000000, 0.0000508900000000 ] - [ 0.0000783300000000, 0.0000371800000000, 0.0000508900000000 ] - [ 0.0000000000000000, 0.0000250300000000, 0.0001561700000000 ] - [ 0.0000000000000000, -0.0000037600000000, 0.0001753000000000 ] - [ 0.0000141000000000, -0.0000661100000000, 0.0001613100000000 ] - [ -0.0000141000000000, -0.0000661100000000, 0.0001613100000000 ] - [ 0.0000000000000000, 0.0001862700000000, -0.0000024200000000 ] - [ 0.0000000000000000, 0.0000214600000000, 0.0002187800000000 ] - [ 0.0000000000000000, -0.0538691900000000, 0.0428893800000000 ] - [ 0.0000000000000000, 0.0002669500000000, 0.0001248700000000 ] - [ -0.0001551400000000, 0.0003782100000000, 0.0001476400000000 ] - [ 0.0001551400000000, 0.0003782100000000, 0.0001476400000000 ] - [ 0.0000000000000000, 0.0003443400000000, 0.0000387500000000 ] - [ 0.0000000000000000, 0.0003487300000000, 0.0000428600000000 ] - [ 0.0000002600000000, 0.0003509000000000, 0.0000394700000000 ] - [ -0.0000002600000000, 0.0003509000000000, 0.0000394700000000 ] - [ -0.0007019900000000, -0.0063506500000000, 0.0017981900000000 ] - [ 0.0003125700000000, -0.0002014700000000, 0.0000856800000000 ] - [ 0.0001454500000000, -0.0000788300000000, 0.0003826200000000 ] - [ 0.0003303800000000, -0.0001476400000000, 0.0000860100000000 ] - [ 0.0003073000000000, -0.0001771500000000, 0.0000389800000000 ] - [ 0.0003008400000000, -0.0001736200000000, 0.0000400500000000 ] - [ 0.0002954100000000, -0.0001707400000000, 0.0000392800000000 ] - [ 0.0003073600000000, -0.0001774000000000, 0.0000407400000000 ] - [ 0.0007019900000000, -0.0063506500000000, 0.0017981900000000 ] - [ -0.0003125700000000, -0.0002014700000000, 0.0000856800000000 ] - [ -0.0003303800000000, -0.0001476400000000, 0.0000860100000000 ] - [ -0.0001454500000000, -0.0000788300000000, 0.0003826200000000 ] - [ -0.0003073000000000, -0.0001771500000000, 0.0000389800000000 ] - [ -0.0003008400000000, -0.0001736200000000, 0.0000400500000000 ] - [ -0.0003073600000000, -0.0001774000000000, 0.0000407400000000 ] - [ -0.0002954100000000, -0.0001707400000000, 0.0000392800000000 ] - [ 0.0000017000000000, -0.0003607300000000, 0.0000290000000000 ] - [ -0.0000017000000000, -0.0003607300000000, 0.0000290000000000 ] - [ 0.0000000000000000, -0.0003520800000000, 0.0000314500000000 ] - [ 0.0000000000000000, -0.0003323500000000, 0.0000641200000000 ] - [ -0.0000022500000000, -0.0004218800000000, 0.0000274000000000 ] - [ 0.0000022500000000, -0.0004218800000000, 0.0000274000000000 ] - [ 0.0000000000000000, -0.0001969700000000, 0.0000301700000000 ] - [ 0.0000000000000000, -0.0002980000000000, 0.0000599900000000 ] - [ -0.0003133500000000, 0.0001639900000000, -0.0000151200000000 ] - [ -0.0003119900000000, 0.0001779100000000, 0.0000761200000000 ] - [ -0.0003039300000000, 0.0001766700000000, 0.0000273800000000 ] - [ -0.0002908700000000, 0.0001688200000000, 0.0000532700000000 ] - [ -0.0002524200000000, 0.0001148300000000, 0.0000271100000000 ] - [ -0.0002813500000000, 0.0001579800000000, 0.0000741400000000 ] - [ -0.0004245000000000, 0.0002529400000000, -0.0000152300000000 ] - [ -0.0002850200000000, 0.0001800300000000, 0.0000495100000000 ] - [ 0.0003119900000000, 0.0001779100000000, 0.0000761200000000 ] - [ 0.0003133500000000, 0.0001639900000000, -0.0000151200000000 ] - [ 0.0003039300000000, 0.0001766700000000, 0.0000273800000000 ] - [ 0.0002908700000000, 0.0001688200000000, 0.0000532700000000 ] - [ 0.0002813500000000, 0.0001579800000000, 0.0000741400000000 ] - [ 0.0002524200000000, 0.0001148300000000, 0.0000271100000000 ] - [ 0.0004245000000000, 0.0002529400000000, -0.0000152300000000 ] - [ 0.0002850200000000, 0.0001800300000000, 0.0000495100000000 ]