# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/0db14f5a-d3cf-4be5-a399-0840cf2f1328/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 Th2SN2 / P-3m1 (164) / materials id 7769](https://mdr.nims.go.jp/datasets/0620a73e-bc1e-4044-be0b-05c355831328) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P-3m1" number: 164 Hall_symbol: "-P 3 2\""supercell_matrix:- [ 3, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 3.986479420000000, 0.000000000000000, 0.000000000000000 ] # a - [ -1.993239710000000, 3.452392450000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.846680910000000 ] # c points: - symbol: N # 1 coordinates: [ 0.333333330000000, 0.666666670000000, 0.368416200000000 ] mass: 14.006700 - symbol: N # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.631583800000000 ] mass: 14.006700 - symbol: S # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 32.065000 - symbol: Th # 4 coordinates: [ 0.666666670000000, 0.333333330000000, 0.286673020000000 ] mass: 232.038060 - symbol: Th # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.713326980000000 ] mass: 232.038060 reciprocal_lattice: # without 2pi - [ 0.250847902282661, 0.144827103882700, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.289654207765400, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.146056171325209 ] # c*unit_cell: lattice: - [ 3.986479420000000, 0.000000000000000, 0.000000000000000 ] # a - [ -1.993239710000000, 3.452392450000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.846680910000000 ] # c points: - symbol: N # 1 coordinates: [ 0.333333330000000, 0.666666670000000, 0.368416200000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.631583800000000 ] mass: 14.006700 reduced_to: 2 - symbol: S # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 32.065000 reduced_to: 3 - symbol: Th # 4 coordinates: [ 0.666666670000000, 0.333333330000000, 0.286673020000000 ] mass: 232.038060 reduced_to: 4 - symbol: Th # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.713326980000000 ] mass: 232.038060 reduced_to: 5supercell: lattice: - [ 11.959438260000001, 0.000000000000000, 0.000000000000000 ] # a - [ -5.979719130000000, 10.357177350000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.693361820000000 ] # c points: - symbol: N # 1 coordinates: [ 0.111111110000000, 0.222222223333333, 0.184208100000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 2 coordinates: [ 0.444444443333333, 0.222222223333333, 0.184208100000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 3 coordinates: [ 0.777777776666667, 0.222222223333333, 0.184208100000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 4 coordinates: [ 0.111111110000000, 0.555555556666667, 0.184208100000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 5 coordinates: [ 0.444444443333333, 0.555555556666667, 0.184208100000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 6 coordinates: [ 0.777777776666667, 0.555555556666667, 0.184208100000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 7 coordinates: [ 0.111111110000000, 0.888888890000000, 0.184208100000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 8 coordinates: [ 0.444444443333333, 0.888888890000000, 0.184208100000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 9 coordinates: [ 0.777777776666667, 0.888888890000000, 0.184208100000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 10 coordinates: [ 0.111111110000000, 0.222222223333333, 0.684208100000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 11 coordinates: [ 0.444444443333333, 0.222222223333333, 0.684208100000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 12 coordinates: [ 0.777777776666667, 0.222222223333333, 0.684208100000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 13 coordinates: [ 0.111111110000000, 0.555555556666667, 0.684208100000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 14 coordinates: [ 0.444444443333333, 0.555555556666667, 0.684208100000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 15 coordinates: [ 0.777777776666667, 0.555555556666667, 0.684208100000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 16 coordinates: [ 0.111111110000000, 0.888888890000000, 0.684208100000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 17 coordinates: [ 0.444444443333333, 0.888888890000000, 0.684208100000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 18 coordinates: [ 0.777777776666667, 0.888888890000000, 0.684208100000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 19 coordinates: [ 0.222222223333333, 0.111111110000000, 0.315791900000000 ] mass: 14.006700 reduced_to: 19 - symbol: N # 20 coordinates: [ 0.555555556666667, 0.111111110000000, 0.315791900000000 ] mass: 14.006700 reduced_to: 19 - symbol: N # 21 coordinates: [ 0.888888890000000, 0.111111110000000, 0.315791900000000 ] mass: 14.006700 reduced_to: 19 - symbol: N # 22 coordinates: [ 0.222222223333333, 0.444444443333333, 0.315791900000000 ] mass: 14.006700 reduced_to: 19 - symbol: N # 23 coordinates: [ 0.555555556666667, 0.444444443333333, 0.315791900000000 ] mass: 14.006700 reduced_to: 19 - symbol: N # 24 coordinates: [ 0.888888890000000, 0.444444443333333, 0.315791900000000 ] mass: 14.006700 reduced_to: 19 - symbol: N # 25 coordinates: [ 0.222222223333333, 0.777777776666667, 0.315791900000000 ] mass: 14.006700 reduced_to: 19 - symbol: N # 26 coordinates: [ 0.555555556666667, 0.777777776666667, 0.315791900000000 ] mass: 14.006700 reduced_to: 19 - symbol: N # 27 coordinates: [ 0.888888890000000, 0.777777776666667, 0.315791900000000 ] mass: 14.006700 reduced_to: 19 - symbol: N # 28 coordinates: [ 0.222222223333333, 0.111111110000000, 0.815791900000000 ] mass: 14.006700 reduced_to: 19 - symbol: N # 29 coordinates: [ 0.555555556666667, 0.111111110000000, 0.815791900000000 ] mass: 14.006700 reduced_to: 19 - symbol: N # 30 coordinates: [ 0.888888890000000, 0.111111110000000, 0.815791900000000 ] mass: 14.006700 reduced_to: 19 - symbol: N # 31 coordinates: [ 0.222222223333333, 0.444444443333333, 0.815791900000000 ] mass: 14.006700 reduced_to: 19 - symbol: N # 32 coordinates: [ 0.555555556666667, 0.444444443333333, 0.815791900000000 ] mass: 14.006700 reduced_to: 19 - symbol: N # 33 coordinates: [ 0.888888890000000, 0.444444443333333, 0.815791900000000 ] mass: 14.006700 reduced_to: 19 - symbol: N # 34 coordinates: [ 0.222222223333333, 0.777777776666667, 0.815791900000000 ] mass: 14.006700 reduced_to: 19 - symbol: N # 35 coordinates: [ 0.555555556666667, 0.777777776666667, 0.815791900000000 ] mass: 14.006700 reduced_to: 19 - symbol: N # 36 coordinates: [ 0.888888890000000, 0.777777776666667, 0.815791900000000 ] mass: 14.006700 reduced_to: 19 - symbol: S # 37 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 38 coordinates: [ 0.333333333333333, 0.000000000000000, 0.000000000000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 39 coordinates: [ 0.666666666666667, 0.000000000000000, 0.000000000000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 40 coordinates: [ 0.000000000000000, 0.333333333333333, 0.000000000000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 41 coordinates: [ 0.333333333333333, 0.333333333333333, 0.000000000000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 42 coordinates: [ 0.666666666666667, 0.333333333333333, 0.000000000000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 43 coordinates: [ 0.000000000000000, 0.666666666666667, 0.000000000000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 44 coordinates: [ 0.333333333333333, 0.666666666666667, 0.000000000000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 45 coordinates: [ 0.666666666666667, 0.666666666666667, 0.000000000000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 46 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 47 coordinates: [ 0.333333333333333, 0.000000000000000, 0.500000000000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 48 coordinates: [ 0.666666666666667, 0.000000000000000, 0.500000000000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 49 coordinates: [ 0.000000000000000, 0.333333333333333, 0.500000000000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 50 coordinates: [ 0.333333333333333, 0.333333333333333, 0.500000000000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 51 coordinates: [ 0.666666666666667, 0.333333333333333, 0.500000000000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 52 coordinates: [ 0.000000000000000, 0.666666666666667, 0.500000000000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 53 coordinates: [ 0.333333333333333, 0.666666666666667, 0.500000000000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 54 coordinates: [ 0.666666666666667, 0.666666666666667, 0.500000000000000 ] mass: 32.065000 reduced_to: 37 - symbol: Th # 55 coordinates: [ 0.222222223333333, 0.111111110000000, 0.143336510000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 56 coordinates: [ 0.555555556666667, 0.111111110000000, 0.143336510000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 57 coordinates: [ 0.888888890000000, 0.111111110000000, 0.143336510000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 58 coordinates: [ 0.222222223333333, 0.444444443333333, 0.143336510000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 59 coordinates: [ 0.555555556666667, 0.444444443333333, 0.143336510000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 60 coordinates: [ 0.888888890000000, 0.444444443333333, 0.143336510000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 61 coordinates: [ 0.222222223333333, 0.777777776666667, 0.143336510000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 62 coordinates: [ 0.555555556666667, 0.777777776666667, 0.143336510000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 63 coordinates: [ 0.888888890000000, 0.777777776666667, 0.143336510000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 64 coordinates: [ 0.222222223333333, 0.111111110000000, 0.643336510000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 65 coordinates: [ 0.555555556666667, 0.111111110000000, 0.643336510000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 66 coordinates: [ 0.888888890000000, 0.111111110000000, 0.643336510000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 67 coordinates: [ 0.222222223333333, 0.444444443333333, 0.643336510000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 68 coordinates: [ 0.555555556666667, 0.444444443333333, 0.643336510000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 69 coordinates: [ 0.888888890000000, 0.444444443333333, 0.643336510000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 70 coordinates: [ 0.222222223333333, 0.777777776666667, 0.643336510000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 71 coordinates: [ 0.555555556666667, 0.777777776666667, 0.643336510000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 72 coordinates: [ 0.888888890000000, 0.777777776666667, 0.643336510000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 73 coordinates: [ 0.111111110000000, 0.222222223333333, 0.356663490000000 ] mass: 232.038060 reduced_to: 73 - symbol: Th # 74 coordinates: [ 0.444444443333333, 0.222222223333333, 0.356663490000000 ] mass: 232.038060 reduced_to: 73 - symbol: Th # 75 coordinates: [ 0.777777776666667, 0.222222223333333, 0.356663490000000 ] mass: 232.038060 reduced_to: 73 - symbol: Th # 76 coordinates: [ 0.111111110000000, 0.555555556666667, 0.356663490000000 ] mass: 232.038060 reduced_to: 73 - symbol: Th # 77 coordinates: [ 0.444444443333333, 0.555555556666667, 0.356663490000000 ] mass: 232.038060 reduced_to: 73 - symbol: Th # 78 coordinates: [ 0.777777776666667, 0.555555556666667, 0.356663490000000 ] mass: 232.038060 reduced_to: 73 - symbol: Th # 79 coordinates: [ 0.111111110000000, 0.888888890000000, 0.356663490000000 ] mass: 232.038060 reduced_to: 73 - symbol: Th # 80 coordinates: [ 0.444444443333333, 0.888888890000000, 0.356663490000000 ] mass: 232.038060 reduced_to: 73 - symbol: Th # 81 coordinates: [ 0.777777776666667, 0.888888890000000, 0.356663490000000 ] mass: 232.038060 reduced_to: 73 - symbol: Th # 82 coordinates: [ 0.111111110000000, 0.222222223333333, 0.856663490000000 ] mass: 232.038060 reduced_to: 73 - symbol: Th # 83 coordinates: [ 0.444444443333333, 0.222222223333333, 0.856663490000000 ] mass: 232.038060 reduced_to: 73 - symbol: Th # 84 coordinates: [ 0.777777776666667, 0.222222223333333, 0.856663490000000 ] mass: 232.038060 reduced_to: 73 - symbol: Th # 85 coordinates: [ 0.111111110000000, 0.555555556666667, 0.856663490000000 ] mass: 232.038060 reduced_to: 73 - symbol: Th # 86 coordinates: [ 0.444444443333333, 0.555555556666667, 0.856663490000000 ] mass: 232.038060 reduced_to: 73 - symbol: Th # 87 coordinates: [ 0.777777776666667, 0.555555556666667, 0.856663490000000 ] mass: 232.038060 reduced_to: 73 - symbol: Th # 88 coordinates: [ 0.111111110000000, 0.888888890000000, 0.856663490000000 ] mass: 232.038060 reduced_to: 73 - symbol: Th # 89 coordinates: [ 0.444444443333333, 0.888888890000000, 0.856663490000000 ] mass: 232.038060 reduced_to: 73 - symbol: Th # 90 coordinates: [ 0.777777776666667, 0.888888890000000, 0.856663490000000 ] mass: 232.038060 reduced_to: 73born_effective_charge:- # 1 (N) - [ -4.110971140000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -4.110971140000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -3.459607740000000 ]- # 2 (N) - [ -4.110971140000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -4.110971140000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -3.459607740000000 ]- # 3 (S) - [ -2.359256790000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -2.359256790000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -3.188316280000000 ]- # 4 (Th) - [ 5.290599530000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 5.290599530000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 5.053765870000000 ]- # 5 (Th) - [ 5.290599530000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 5.290599530000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 5.053765870000000 ]dielectric_constant: - [ 7.983576070000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 7.983576080000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 7.904540570000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1077318200000000, 0.0011282200000000, -0.0018129700000000 ] - [ 0.0124779500000000, 0.0063916300000000, 0.0003368400000000 ] - [ 0.0123959300000000, -0.0063396400000000, -0.0047766500000000 ] - [ -0.0017584400000000, -0.0018740700000000, -0.0023998000000000 ] - [ -0.0018485900000000, 0.0018380900000000, -0.0020762700000000 ] - [ 0.0020872600000000, -0.0000021100000000, -0.0022297200000000 ] - [ -0.0018088000000000, -0.0146401200000000, 0.0001777700000000 ] - [ 0.0020872700000000, -0.0000093700000000, -0.0022289500000000 ] - [ -0.0017981400000000, 0.0145348400000000, -0.0046122700000000 ] - [ -0.0004320700000000, 0.0000010500000000, -0.0022362000000000 ] - [ 0.0002411100000000, -0.0000150700000000, -0.0025929800000000 ] - [ 0.0002458100000000, 0.0000190100000000, -0.0018800300000000 ] - [ -0.0001336000000000, -0.0002374900000000, -0.0018846400000000 ] - [ -0.0001344800000000, 0.0002323800000000, -0.0025884700000000 ] - [ 0.0002543500000000, -0.0000003200000000, -0.0022359700000000 ] - [ -0.0001356500000000, -0.0002008000000000, -0.0022400700000000 ] - [ 0.0002542200000000, -0.0000014000000000, -0.0022368400000000 ] - [ -0.0001322500000000, 0.0002010700000000, -0.0022309700000000 ] - [ 0.0078806800000000, -0.0073450200000000, 0.0198798500000000 ] - [ 0.0038649200000000, -0.0000008800000000, 0.0022424000000000 ] - [ 0.0079109900000000, 0.0072841300000000, -0.0152267900000000 ] - [ -0.0047727600000000, -0.0000545200000000, 0.0021956700000000 ] - [ 0.0006527300000000, 0.0031655000000000, 0.0030012600000000 ] - [ 0.0006651700000000, -0.0031443600000000, 0.0014700900000000 ] - [ 0.0021698200000000, -0.0009902300000000, 0.0026619500000000 ] - [ 0.0021655900000000, 0.0009694900000000, 0.0018112900000000 ] - [ -0.0048055300000000, 0.0000008200000000, 0.0022397300000000 ] - [ -0.0006756700000000, -0.0003270700000000, 0.0018094300000000 ] - [ 0.0016356700000000, 0.0000029700000000, 0.0022291700000000 ] - [ -0.0006719300000000, 0.0003273200000000, 0.0026511900000000 ] - [ -0.0012404400000000, 0.0000008100000000, 0.0022300400000000 ] - [ 0.0008575400000000, 0.0006803600000000, 0.0015108700000000 ] - [ 0.0008565700000000, -0.0006772200000000, 0.0029489200000000 ] - [ 0.0002602500000000, -0.0007945500000000, 0.0021978000000000 ] - [ 0.0002661700000000, 0.0007901800000000, 0.0022635000000000 ] - [ -0.0003186400000000, 0.0000023000000000, 0.0022331000000000 ] - [ -0.0045795800000000, 0.0000175200000000, 0.0000151800000000 ] - [ 0.0042205900000000, -0.0024030200000000, -0.0044714800000000 ] - [ 0.0041918600000000, 0.0023830800000000, 0.0044313300000000 ] - [ 0.0013722300000000, -0.0034194400000000, 0.0054686200000000 ] - [ 0.0013498100000000, 0.0034402800000000, -0.0054967600000000 ] - [ 0.0012154800000000, 0.0000028100000000, -0.0000021500000000 ] - [ -0.0000725700000000, -0.0007450200000000, 0.0000195900000000 ] - [ 0.0000613900000000, -0.0000110900000000, 0.0000094500000000 ] - [ -0.0000743900000000, 0.0007432500000000, -0.0000229900000000 ] - [ -0.0014781200000000, 0.0000125200000000, -0.0000059300000000 ] - [ 0.0007986500000000, -0.0004297300000000, 0.0009084200000000 ] - [ 0.0007980300000000, 0.0004286800000000, -0.0009050500000000 ] - [ -0.0005576700000000, -0.0005267000000000, -0.0002116400000000 ] - [ -0.0005917100000000, 0.0005165000000000, 0.0001855700000000 ] - [ 0.0010124800000000, 0.0000008600000000, 0.0000005400000000 ] - [ -0.0000242800000000, -0.0006011600000000, 0.0005274300000000 ] - [ 0.0000549700000000, -0.0000036500000000, -0.0000029100000000 ] - [ -0.0000275300000000, 0.0005978200000000, -0.0005282500000000 ] - [ 0.0248733200000000, -0.0060936000000000, -0.0203035000000000 ] - [ -0.0083380200000000, 0.0000069000000000, -0.0119310700000000 ] - [ 0.0233064800000000, 0.0051495400000000, -0.0041169700000000 ] - [ 0.0143574200000000, 0.0000282700000000, -0.0119310500000000 ] - [ -0.0025599100000000, -0.0053270400000000, -0.0114774000000000 ] - [ -0.0025661600000000, 0.0052777200000000, -0.0123746900000000 ] - [ -0.0033940200000000, 0.0028816700000000, -0.0115015200000000 ] - [ -0.0033779800000000, -0.0028374700000000, -0.0123625400000000 ] - [ 0.0066213300000000, -0.0000001100000000, -0.0119268600000000 ] - [ 0.0004006200000000, 0.0001005900000000, -0.0122540000000000 ] - [ -0.0008890600000000, -0.0000023400000000, -0.0119279900000000 ] - [ 0.0003955500000000, -0.0001072900000000, -0.0115943000000000 ] - [ 0.0005785500000000, 0.0000031400000000, -0.0119206300000000 ] - [ -0.0002524600000000, -0.0003051400000000, -0.0116256600000000 ] - [ -0.0002575800000000, 0.0003073300000000, -0.0122198100000000 ] - [ -0.0001116000000000, 0.0004512800000000, -0.0124050800000000 ] - [ -0.0001125100000000, -0.0004461400000000, -0.0114471200000000 ] - [ 0.0002753800000000, -0.0000005400000000, -0.0119256700000000 ] - [ 0.0253500700000000, -0.0000178400000000, 0.0119446900000000 ] - [ -0.0060044100000000, -0.0024251100000000, 0.0081976200000000 ] - [ -0.0060029600000000, 0.0024108200000000, 0.0156283500000000 ] - [ 0.0003223000000000, 0.0022054000000000, 0.0121502200000000 ] - [ 0.0003674100000000, -0.0021806700000000, 0.0117194600000000 ] - [ -0.0012818700000000, 0.0000029600000000, 0.0119246100000000 ] - [ 0.0011657800000000, 0.0056083300000000, 0.0084203000000000 ] - [ -0.0020354200000000, 0.0000065800000000, 0.0119255200000000 ] - [ 0.0011620900000000, -0.0056124600000000, 0.0154212200000000 ] - [ 0.0030248300000000, 0.0000036000000000, 0.0119282100000000 ] - [ -0.0017288800000000, 0.0001756700000000, 0.0142851900000000 ] - [ -0.0017290100000000, -0.0001871400000000, 0.0095861300000000 ] - [ 0.0003937100000000, 0.0019745100000000, 0.0103092500000000 ] - [ 0.0003944300000000, -0.0019783600000000, 0.0135526800000000 ] - [ -0.0007459300000000, -0.0000022800000000, 0.0119326900000000 ] - [ 0.0008976000000000, 0.0007614200000000, 0.0126592600000000 ] - [ -0.0018771000000000, 0.0000070500000000, 0.0119361600000000 ] - [ 0.0008771300000000, -0.0007586800000000, 0.0112040600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.1077950800000000 ] - [ -0.0025748500000000, -0.0012980800000000, -0.0063747800000000 ] - [ 0.0025748500000000, -0.0012980800000000, -0.0063747800000000 ] - [ 0.0024115900000000, -0.0015808500000000, -0.0063747800000000 ] - [ -0.0024115900000000, -0.0015808500000000, -0.0063747800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035633300000000 ] - [ -0.0001632600000000, 0.0028789300000000, -0.0063747800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035662400000000 ] - [ 0.0001632600000000, 0.0028789300000000, -0.0063747800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000375300000000 ] - [ 0.0003598400000000, -0.0002024100000000, -0.0006245400000000 ] - [ -0.0003598400000000, -0.0002024100000000, -0.0006245400000000 ] - [ -0.0000046300000000, 0.0004128400000000, -0.0006245400000000 ] - [ 0.0000046300000000, 0.0004128400000000, -0.0006245400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009268200000000 ] - [ 0.0003552100000000, -0.0002104200000000, -0.0006245400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009255800000000 ] - [ -0.0003552100000000, -0.0002104200000000, -0.0006245400000000 ] - [ 0.0176242300000000, -0.0101753500000000, 0.0012922000000000 ] - [ 0.0000000000000000, -0.0004902500000000, 0.0006126400000000 ] - [ -0.0176242300000000, -0.0101753500000000, 0.0012922000000000 ] - [ 0.0000000000000000, 0.0203507100000000, 0.0012922000000000 ] - [ 0.0007646800000000, 0.0004414900000000, 0.0001425300000000 ] - [ -0.0007646800000000, 0.0004414900000000, 0.0001425300000000 ] - [ 0.0004245700000000, 0.0002451300000000, 0.0006126400000000 ] - [ -0.0004245700000000, 0.0002451300000000, 0.0006126400000000 ] - [ 0.0000000000000000, -0.0008829800000000, 0.0001425300000000 ] - [ -0.0004204300000000, 0.0002427400000000, 0.0041786900000000 ] - [ 0.0000000000000000, 0.0000341100000000, 0.0034802600000000 ] - [ 0.0004204300000000, 0.0002427400000000, 0.0041786900000000 ] - [ 0.0000000000000000, -0.0004854700000000, 0.0041786900000000 ] - [ -0.0007183900000000, -0.0004147600000000, 0.0040984100000000 ] - [ 0.0007183900000000, -0.0004147600000000, 0.0040984100000000 ] - [ -0.0000295400000000, -0.0000170600000000, 0.0034802600000000 ] - [ 0.0000295400000000, -0.0000170600000000, 0.0034802600000000 ] - [ 0.0000000000000000, 0.0008295200000000, 0.0040984100000000 ] - [ 0.0000000000000000, 0.0049042300000000, 0.0041333300000000 ] - [ -0.0011077800000000, 0.0006395800000000, 0.0010194200000000 ] - [ 0.0011077800000000, 0.0006395800000000, 0.0010194200000000 ] - [ 0.0042471900000000, -0.0024521200000000, 0.0041333300000000 ] - [ -0.0042471900000000, -0.0024521200000000, 0.0041333300000000 ] - [ 0.0000000000000000, -0.0000184900000000, -0.0001420400000000 ] - [ 0.0000160100000000, 0.0000092400000000, -0.0001420400000000 ] - [ 0.0000000000000000, -0.0012791600000000, 0.0010194200000000 ] - [ -0.0000160100000000, 0.0000092400000000, -0.0001420400000000 ] - [ 0.0000000000000000, -0.0043719200000000, 0.0037796600000000 ] - [ 0.0004153000000000, -0.0002397800000000, 0.0006860600000000 ] - [ -0.0004153000000000, -0.0002397800000000, 0.0006860600000000 ] - [ -0.0037862000000000, 0.0021859600000000, 0.0037796600000000 ] - [ 0.0037862000000000, 0.0021859600000000, 0.0037796600000000 ] - [ 0.0000000000000000, 0.0001628100000000, 0.0006083300000000 ] - [ -0.0001410000000000, -0.0000814000000000, 0.0006083300000000 ] - [ 0.0000000000000000, 0.0004795500000000, 0.0006860600000000 ] - [ 0.0001410000000000, -0.0000814000000000, 0.0006083300000000 ] - [ -0.0042169600000000, 0.0024346600000000, 0.0128799100000000 ] - [ 0.0000000000000000, -0.0005610300000000, -0.0104282200000000 ] - [ 0.0042169600000000, 0.0024346600000000, 0.0128799100000000 ] - [ 0.0000000000000000, -0.0048693200000000, 0.0128799100000000 ] - [ 0.0014407500000000, 0.0008318200000000, -0.0091056300000000 ] - [ -0.0014407500000000, 0.0008318200000000, -0.0091056300000000 ] - [ 0.0004858700000000, 0.0002805200000000, -0.0104282200000000 ] - [ -0.0004858700000000, 0.0002805200000000, -0.0104282200000000 ] - [ 0.0000000000000000, -0.0016636400000000, -0.0091056300000000 ] - [ -0.0006763300000000, 0.0003904800000000, -0.0150205800000000 ] - [ 0.0000000000000000, 0.0000716700000000, -0.0134269300000000 ] - [ 0.0006763300000000, 0.0003904800000000, -0.0150205800000000 ] - [ 0.0000000000000000, -0.0007809600000000, -0.0150205800000000 ] - [ -0.0007257900000000, -0.0004190300000000, -0.0143353400000000 ] - [ 0.0007257900000000, -0.0004190300000000, -0.0143353400000000 ] - [ -0.0000620600000000, -0.0000358300000000, -0.0134269300000000 ] - [ 0.0000620600000000, -0.0000358300000000, -0.0134269300000000 ] - [ 0.0000000000000000, 0.0008380700000000, -0.0143353400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0432622900000000 ] - [ -0.0044774100000000, -0.0021670800000000, 0.0135828500000000 ] - [ 0.0044774100000000, -0.0021670800000000, 0.0135828500000000 ] - [ 0.0041154500000000, -0.0027940100000000, 0.0135828500000000 ] - [ -0.0041154500000000, -0.0027940100000000, 0.0135828500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0126341000000000 ] - [ -0.0003619600000000, 0.0049610900000000, 0.0135828500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0126954300000000 ] - [ 0.0003619600000000, 0.0049610900000000, 0.0135828500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0068027900000000 ] - [ 0.0013611800000000, -0.0005525800000000, 0.0094731700000000 ] - [ -0.0013611800000000, -0.0005525800000000, 0.0094731700000000 ] - [ -0.0002020400000000, 0.0014551100000000, 0.0094731700000000 ] - [ 0.0002020400000000, 0.0014551100000000, 0.0094731700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0112586100000000 ] - [ 0.0011591400000000, -0.0009025200000000, 0.0094731700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0104631900000000 ] - [ -0.0011591400000000, -0.0009025200000000, 0.0094731700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.1006013500000000 ] - [ 0.0025384400000000, 0.0012803700000000, 0.0018883200000000 ] - [ -0.0025384400000000, 0.0012803700000000, 0.0018883200000000 ] - [ -0.0023780500000000, 0.0015581700000000, 0.0018883200000000 ] - [ 0.0023780500000000, 0.0015581700000000, 0.0018883200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009052800000000 ] - [ 0.0001603900000000, -0.0028385400000000, 0.0018883200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009083700000000 ] - [ -0.0001603900000000, -0.0028385400000000, 0.0018883200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0044141100000000 ] - [ -0.0003532800000000, 0.0001987000000000, -0.0038331300000000 ] - [ 0.0003532800000000, 0.0001987000000000, -0.0038331300000000 ] - [ 0.0000045600000000, -0.0004052900000000, -0.0038331300000000 ] - [ -0.0000045600000000, -0.0004052900000000, -0.0038331300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035333500000000 ] - [ -0.0003487200000000, 0.0002066000000000, -0.0038331300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035322000000000 ] - [ 0.0003487200000000, 0.0002066000000000, -0.0038331300000000 ] - [ -0.0174818600000000, 0.0100931600000000, 0.0030669400000000 ] - [ 0.0000000000000000, 0.0004916800000000, 0.0038430400000000 ] - [ 0.0174818600000000, 0.0100931600000000, 0.0030669400000000 ] - [ 0.0000000000000000, -0.0201863100000000, 0.0030669400000000 ] - [ -0.0007665900000000, -0.0004425900000000, 0.0043080500000000 ] - [ 0.0007665900000000, -0.0004425900000000, 0.0043080500000000 ] - [ -0.0004258000000000, -0.0002458400000000, 0.0038430400000000 ] - [ 0.0004258000000000, -0.0002458400000000, 0.0038430400000000 ] - [ 0.0000000000000000, 0.0008851800000000, 0.0043080500000000 ] - [ 0.0004213100000000, -0.0002432400000000, 0.0002969800000000 ] - [ 0.0000000000000000, -0.0000416800000000, 0.0009946200000000 ] - [ -0.0004213100000000, -0.0002432400000000, 0.0002969800000000 ] - [ 0.0000000000000000, 0.0004864900000000, 0.0002969800000000 ] - [ 0.0007195800000000, 0.0004154500000000, 0.0003742800000000 ] - [ -0.0007195800000000, 0.0004154500000000, 0.0003742800000000 ] - [ 0.0000360900000000, 0.0000208400000000, 0.0009946200000000 ] - [ -0.0000360900000000, 0.0000208400000000, 0.0009946200000000 ] - [ 0.0000000000000000, -0.0008309000000000, 0.0003742800000000 ] - [ 0.0000000000000000, -0.0049575000000000, -0.0041524500000000 ] - [ 0.0010891800000000, -0.0006288400000000, -0.0009915300000000 ] - [ -0.0010891800000000, -0.0006288400000000, -0.0009915300000000 ] - [ -0.0042933200000000, 0.0024787500000000, -0.0041524500000000 ] - [ 0.0042933200000000, 0.0024787500000000, -0.0041524500000000 ] - [ 0.0000000000000000, 0.0000167800000000, 0.0001495300000000 ] - [ -0.0000145400000000, -0.0000083900000000, 0.0001495300000000 ] - [ 0.0000000000000000, 0.0012576800000000, -0.0009915300000000 ] - [ 0.0000145400000000, -0.0000083900000000, 0.0001495300000000 ] - [ 0.0000000000000000, 0.0043131900000000, -0.0037454900000000 ] - [ -0.0004136200000000, 0.0002388000000000, -0.0006891100000000 ] - [ 0.0004136200000000, 0.0002388000000000, -0.0006891100000000 ] - [ 0.0037353300000000, -0.0021565900000000, -0.0037454900000000 ] - [ -0.0037353300000000, -0.0021565900000000, -0.0037454900000000 ] - [ 0.0000000000000000, -0.0001637400000000, -0.0006131200000000 ] - [ 0.0001418000000000, 0.0000818700000000, -0.0006131200000000 ] - [ 0.0000000000000000, -0.0004776100000000, -0.0006891100000000 ] - [ -0.0001418000000000, 0.0000818700000000, -0.0006131200000000 ] - [ 0.0043921800000000, -0.0025358300000000, -0.0366617900000000 ] - [ 0.0000000000000000, 0.0005549500000000, -0.0134170800000000 ] - [ -0.0043921800000000, -0.0025358300000000, -0.0366617900000000 ] - [ 0.0000000000000000, 0.0050716500000000, -0.0366617900000000 ] - [ -0.0014278400000000, -0.0008243700000000, -0.0147584100000000 ] - [ 0.0014278400000000, -0.0008243700000000, -0.0147584100000000 ] - [ -0.0004806000000000, -0.0002774700000000, -0.0134170800000000 ] - [ 0.0004806000000000, -0.0002774700000000, -0.0134170800000000 ] - [ 0.0000000000000000, 0.0016487300000000, -0.0147584100000000 ] - [ 0.0006671100000000, -0.0003851500000000, -0.0088507400000000 ] - [ 0.0000000000000000, -0.0000686600000000, -0.0104244900000000 ] - [ -0.0006671100000000, -0.0003851500000000, -0.0088507400000000 ] - [ 0.0000000000000000, 0.0007703100000000, -0.0088507400000000 ] - [ 0.0007174900000000, 0.0004142400000000, -0.0095258900000000 ] - [ -0.0007174900000000, 0.0004142400000000, -0.0095258900000000 ] - [ 0.0000594600000000, 0.0000343300000000, -0.0104244900000000 ] - [ -0.0000594600000000, 0.0000343300000000, -0.0104244900000000 ] - [ 0.0000000000000000, -0.0008284900000000, -0.0095258900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0166152700000000 ] - [ 0.0044647500000000, 0.0021631900000000, 0.0102942100000000 ] - [ -0.0044647500000000, 0.0021631900000000, 0.0102942100000000 ] - [ -0.0041057500000000, 0.0027849900000000, 0.0102942100000000 ] - [ 0.0041057500000000, 0.0027849900000000, 0.0102942100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0112287700000000 ] - [ 0.0003590000000000, -0.0049481800000000, 0.0102942100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0111641200000000 ] - [ -0.0003590000000000, -0.0049481800000000, 0.0102942100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0170514900000000 ] - [ -0.0013649700000000, 0.0005638100000000, 0.0143685300000000 ] - [ 0.0013649700000000, 0.0005638100000000, 0.0143685300000000 ] - [ 0.0001942200000000, -0.0014640000000000, 0.0143685300000000 ] - [ -0.0001942200000000, -0.0014640000000000, 0.0143685300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0125805300000000 ] - [ -0.0011707600000000, 0.0009002000000000, 0.0143685300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0133647000000000 ] - [ 0.0011707600000000, 0.0009002000000000, 0.0143685300000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0045794800000000, -0.0000068100000000, -0.0022483900000000 ] - [ 0.0042107100000000, 0.0023978500000000, -0.0011348200000000 ] - [ 0.0042020900000000, -0.0023882400000000, -0.0033320900000000 ] - [ -0.0000735500000000, -0.0007452300000000, -0.0022195700000000 ] - [ -0.0000731200000000, 0.0007431200000000, -0.0022498100000000 ] - [ 0.0000615200000000, 0.0000145800000000, -0.0022377500000000 ] - [ 0.0013564700000000, -0.0034426500000000, 0.0020477700000000 ] - [ 0.0012156000000000, -0.0000022200000000, -0.0022326000000000 ] - [ 0.0013659900000000, 0.0034171300000000, -0.0064922200000000 ] - [ -0.0014781200000000, 0.0000011100000000, -0.0022241700000000 ] - [ 0.0007979200000000, 0.0004295300000000, -0.0026494500000000 ] - [ 0.0007992800000000, -0.0004289700000000, -0.0018204400000000 ] - [ -0.0000245100000000, -0.0006010000000000, -0.0023757300000000 ] - [ -0.0000270600000000, 0.0005979800000000, -0.0020927900000000 ] - [ 0.0000550900000000, 0.0000002200000000, -0.0022341200000000 ] - [ -0.0005762900000000, -0.0005204400000000, -0.0060049800000000 ] - [ 0.0010126700000000, 0.0000002900000000, -0.0022362400000000 ] - [ -0.0005727900000000, 0.0005228300000000, 0.0015162200000000 ] - [ -0.0005762900000000, 0.0005204400000000, 0.0060049800000000 ] - [ 0.0010126700000000, -0.0000002900000000, 0.0022362400000000 ] - [ -0.0005727900000000, -0.0005228300000000, -0.0015162200000000 ] - [ 0.0000550900000000, -0.0000002200000000, 0.0022341200000000 ] - [ -0.0000245100000000, 0.0006010000000000, 0.0023757300000000 ] - [ -0.0000270600000000, -0.0005979800000000, 0.0020927900000000 ] - [ 0.0007979200000000, -0.0004295300000000, 0.0026494500000000 ] - [ 0.0007992800000000, 0.0004289700000000, 0.0018204400000000 ] - [ -0.0014781200000000, -0.0000011100000000, 0.0022241700000000 ] - [ 0.0013564700000000, 0.0034426500000000, -0.0020477700000000 ] - [ 0.0012156000000000, 0.0000022200000000, 0.0022326000000000 ] - [ 0.0013659900000000, -0.0034171300000000, 0.0064922200000000 ] - [ 0.0000615200000000, -0.0000145800000000, 0.0022377500000000 ] - [ -0.0000735500000000, 0.0007452300000000, 0.0022195700000000 ] - [ -0.0000731200000000, -0.0007431200000000, 0.0022498100000000 ] - [ 0.0042107100000000, -0.0023978500000000, 0.0011348200000000 ] - [ 0.0042020900000000, 0.0023882400000000, 0.0033320900000000 ] - [ -0.0045794800000000, 0.0000068100000000, 0.0022483900000000 ] - [ -0.0511754300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0030196000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0029863100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002481400000000, -0.0015891600000000, 0.0005096300000000 ] - [ 0.0002463200000000, 0.0015929800000000, -0.0005137300000000 ] - [ 0.0004419700000000, 0.0000013500000000, -0.0000001400000000 ] - [ 0.0002463200000000, -0.0015929800000000, 0.0005137300000000 ] - [ 0.0004419700000000, -0.0000013500000000, 0.0000001400000000 ] - [ 0.0002481400000000, 0.0015891600000000, -0.0005096300000000 ] - [ -0.0016538700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005156100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005155100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000714200000000, -0.0003390500000000, 0.0000523000000000 ] - [ -0.0000723800000000, 0.0003393400000000, -0.0000513000000000 ] - [ 0.0002913200000000, 0.0000007200000000, -0.0000001900000000 ] - [ -0.0000723800000000, -0.0003393400000000, 0.0000513000000000 ] - [ 0.0002913200000000, -0.0000007200000000, 0.0000001900000000 ] - [ -0.0000714200000000, 0.0003390500000000, -0.0000523000000000 ] - [ 0.0073407500000000, 0.0004879600000000, -0.0108046500000000 ] - [ -0.0032908700000000, -0.0000036100000000, -0.0119334000000000 ] - [ 0.0071151200000000, -0.0003288900000000, -0.0128003300000000 ] - [ 0.0004302600000000, 0.0000024200000000, -0.0119277900000000 ] - [ -0.0002726400000000, -0.0017472300000000, -0.0116787300000000 ] - [ -0.0002676500000000, 0.0017411800000000, -0.0121780200000000 ] - [ -0.0018896000000000, 0.0013440700000000, -0.0123112200000000 ] - [ -0.0018978900000000, -0.0013396800000000, -0.0115454000000000 ] - [ 0.0065212700000000, 0.0000068900000000, -0.0119272700000000 ] - [ 0.0004792000000000, -0.0008449500000000, -0.0104691400000000 ] - [ -0.0008859300000000, -0.0000027500000000, -0.0119264200000000 ] - [ 0.0004728400000000, 0.0008445500000000, -0.0133909000000000 ] - [ -0.0001261700000000, 0.0000015500000000, -0.0119301400000000 ] - [ 0.0000302800000000, -0.0005286400000000, -0.0118468600000000 ] - [ 0.0000285300000000, 0.0005280500000000, -0.0120084400000000 ] - [ -0.0007903100000000, 0.0003862200000000, -0.0114308300000000 ] - [ -0.0007972100000000, -0.0003838100000000, -0.0124261300000000 ] - [ 0.0019398000000000, -0.0000001300000000, -0.0119291600000000 ] - [ 0.0019398000000000, 0.0000001300000000, 0.0119291600000000 ] - [ -0.0007903100000000, -0.0003862200000000, 0.0114308300000000 ] - [ -0.0007972100000000, 0.0003838100000000, 0.0124261300000000 ] - [ 0.0000302800000000, 0.0005286400000000, 0.0118468600000000 ] - [ 0.0000285300000000, -0.0005280500000000, 0.0120084400000000 ] - [ -0.0001261700000000, -0.0000015500000000, 0.0119301400000000 ] - [ 0.0004792000000000, 0.0008449500000000, 0.0104691400000000 ] - [ -0.0008859300000000, 0.0000027500000000, 0.0119264200000000 ] - [ 0.0004728400000000, -0.0008445500000000, 0.0133909000000000 ] - [ 0.0065212700000000, -0.0000068900000000, 0.0119272700000000 ] - [ -0.0018896000000000, -0.0013440700000000, 0.0123112200000000 ] - [ -0.0018978900000000, 0.0013396800000000, 0.0115454000000000 ] - [ -0.0002726400000000, 0.0017472300000000, 0.0116787300000000 ] - [ -0.0002676500000000, -0.0017411800000000, 0.0121780200000000 ] - [ 0.0004302600000000, -0.0000024200000000, 0.0119277900000000 ] - [ 0.0073407500000000, -0.0004879600000000, 0.0108046500000000 ] - [ -0.0032908700000000, 0.0000036100000000, 0.0119334000000000 ] - [ 0.0071151200000000, 0.0003288900000000, 0.0128003300000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0063534500000000, 0.0019191100000000 ] - [ 0.0044567900000000, 0.0025731300000000, -0.0012278700000000 ] - [ -0.0044567900000000, 0.0025731300000000, -0.0012278700000000 ] - [ 0.0000201400000000, 0.0000116300000000, -0.0023791500000000 ] - [ -0.0000201400000000, 0.0000116300000000, -0.0023791500000000 ] - [ 0.0000000000000000, -0.0051462600000000, -0.0012278700000000 ] - [ 0.0055022500000000, -0.0031767300000000, 0.0019191100000000 ] - [ 0.0000000000000000, -0.0000232500000000, -0.0023791500000000 ] - [ -0.0055022500000000, -0.0031767300000000, 0.0019191100000000 ] - [ 0.0000000000000000, -0.0002299400000000, 0.0015293100000000 ] - [ -0.0009060400000000, -0.0005231000000000, -0.0015455600000000 ] - [ 0.0009060400000000, -0.0005231000000000, -0.0015455600000000 ] - [ 0.0005281400000000, 0.0003049200000000, -0.0016217600000000 ] - [ -0.0005281400000000, 0.0003049200000000, -0.0016217600000000 ] - [ 0.0000000000000000, 0.0010462000000000, -0.0015455600000000 ] - [ -0.0001991400000000, 0.0001149700000000, 0.0015293100000000 ] - [ 0.0000000000000000, -0.0006098400000000, -0.0016217600000000 ] - [ 0.0001991400000000, 0.0001149700000000, 0.0015293100000000 ] - [ 0.0001978600000000, 0.0001142400000000, 0.0059959900000000 ] - [ 0.0000000000000000, -0.0006090600000000, 0.0028431700000000 ] - [ -0.0001978600000000, 0.0001142400000000, 0.0059959900000000 ] - [ 0.0000000000000000, 0.0010475200000000, 0.0029210000000000 ] - [ -0.0005274600000000, 0.0003045300000000, 0.0028431700000000 ] - [ 0.0005274600000000, 0.0003045300000000, 0.0028431700000000 ] - [ 0.0009071800000000, -0.0005237600000000, 0.0029210000000000 ] - [ -0.0009071800000000, -0.0005237600000000, 0.0029210000000000 ] - [ 0.0000000000000000, -0.0002284700000000, 0.0059959900000000 ] - [ -0.0054631800000000, -0.0031541700000000, 0.0063666900000000 ] - [ 0.0000000000000000, -0.0000255800000000, 0.0020878100000000 ] - [ 0.0054631800000000, -0.0031541700000000, 0.0063666900000000 ] - [ 0.0000000000000000, -0.0051337700000000, 0.0032392500000000 ] - [ -0.0000221600000000, 0.0000127900000000, 0.0020878100000000 ] - [ 0.0000221600000000, 0.0000127900000000, 0.0020878100000000 ] - [ -0.0044459700000000, 0.0025668800000000, 0.0032392500000000 ] - [ 0.0044459700000000, 0.0025668800000000, 0.0032392500000000 ] - [ 0.0000000000000000, 0.0063083400000000, 0.0063666900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0649945000000000 ] - [ -0.0000042800000000, -0.0005910300000000, -0.0024438700000000 ] - [ 0.0000042800000000, -0.0005910300000000, -0.0024438700000000 ] - [ 0.0005139800000000, 0.0002918000000000, -0.0024438700000000 ] - [ -0.0005139800000000, 0.0002918000000000, -0.0024438700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015168600000000 ] - [ 0.0005097000000000, 0.0002992200000000, -0.0024438700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015180400000000 ] - [ -0.0005097000000000, 0.0002992200000000, -0.0024438700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025270400000000 ] - [ -0.0000001600000000, -0.0000595600000000, 0.0013212800000000 ] - [ 0.0000001600000000, -0.0000595600000000, 0.0013212800000000 ] - [ 0.0000516600000000, 0.0000296400000000, 0.0013212800000000 ] - [ -0.0000516600000000, 0.0000296400000000, 0.0013212800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012273100000000 ] - [ 0.0000515000000000, 0.0000299200000000, 0.0013212800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012285900000000 ] - [ -0.0000515000000000, 0.0000299200000000, 0.0013212800000000 ] - [ -0.0004367600000000, -0.0002521600000000, -0.0068682400000000 ] - [ 0.0000000000000000, 0.0014051000000000, -0.0102636600000000 ] - [ 0.0004367600000000, -0.0002521600000000, -0.0068682400000000 ] - [ 0.0000000000000000, -0.0022687700000000, -0.0100667200000000 ] - [ 0.0012168500000000, -0.0007025500000000, -0.0102636600000000 ] - [ -0.0012168500000000, -0.0007025500000000, -0.0102636600000000 ] - [ -0.0019648100000000, 0.0011343800000000, -0.0100667200000000 ] - [ 0.0019648100000000, 0.0011343800000000, -0.0100667200000000 ] - [ 0.0000000000000000, 0.0005043200000000, -0.0068682400000000 ] - [ 0.0006957900000000, 0.0004017200000000, -0.0155310600000000 ] - [ 0.0000000000000000, 0.0000364700000000, -0.0131518400000000 ] - [ -0.0006957900000000, 0.0004017200000000, -0.0155310600000000 ] - [ 0.0000000000000000, 0.0004010200000000, -0.0139811700000000 ] - [ 0.0000315900000000, -0.0000182400000000, -0.0131518400000000 ] - [ -0.0000315900000000, -0.0000182400000000, -0.0131518400000000 ] - [ 0.0003472900000000, -0.0002005100000000, -0.0139811700000000 ] - [ -0.0003472900000000, -0.0002005100000000, -0.0139811700000000 ] - [ 0.0000000000000000, -0.0008034300000000, -0.0155310600000000 ] - [ 0.0000000000000000, -0.0008027100000000, 0.0083109900000000 ] - [ -0.0003446500000000, -0.0001989900000000, 0.0098673300000000 ] - [ 0.0003446500000000, -0.0001989900000000, 0.0098673300000000 ] - [ -0.0000308500000000, -0.0000178100000000, 0.0106951000000000 ] - [ 0.0000308500000000, -0.0000178100000000, 0.0106951000000000 ] - [ 0.0000000000000000, 0.0003979700000000, 0.0098673300000000 ] - [ -0.0006951700000000, 0.0004013600000000, 0.0083109900000000 ] - [ 0.0000000000000000, 0.0000356200000000, 0.0106951000000000 ] - [ 0.0006951700000000, 0.0004013600000000, 0.0083109900000000 ] - [ 0.0000000000000000, 0.0007606200000000, 0.0167685800000000 ] - [ 0.0019655100000000, 0.0011347900000000, 0.0137752600000000 ] - [ -0.0019655100000000, 0.0011347900000000, 0.0137752600000000 ] - [ -0.0012164800000000, -0.0007023400000000, 0.0135781200000000 ] - [ 0.0012164800000000, -0.0007023400000000, 0.0135781200000000 ] - [ 0.0000000000000000, -0.0022695700000000, 0.0137752600000000 ] - [ 0.0006587100000000, -0.0003803100000000, 0.0167685800000000 ] - [ 0.0000000000000000, 0.0014046700000000, 0.0135781200000000 ] - [ -0.0006587100000000, -0.0003803100000000, 0.0167685800000000 ]- atom: 55 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0232826800000000, -0.0051206900000000, -0.0062957800000000 ] - [ 0.0249003700000000, 0.0061250300000000, 0.0023222100000000 ] - [ -0.0083373500000000, -0.0000194700000000, -0.0022391700000000 ] - [ -0.0033782200000000, 0.0028396000000000, -0.0017500700000000 ] - [ 0.0066215300000000, -0.0000041800000000, -0.0022361400000000 ] - [ -0.0033919600000000, -0.0028783300000000, -0.0027168200000000 ] - [ 0.0143569000000000, -0.0001220800000000, -0.0022152000000000 ] - [ -0.0025546300000000, 0.0053336000000000, -0.0036745500000000 ] - [ -0.0025697500000000, -0.0052711900000000, -0.0008063700000000 ] - [ 0.0003979800000000, 0.0001047100000000, -0.0029050500000000 ] - [ 0.0003997400000000, -0.0001027900000000, -0.0015610400000000 ] - [ -0.0008887900000000, 0.0000003900000000, -0.0022323700000000 ] - [ -0.0001114100000000, 0.0004476000000000, -0.0022938100000000 ] - [ 0.0002763200000000, -0.0000007200000000, -0.0022340000000000 ] - [ -0.0001114700000000, -0.0004499900000000, -0.0021723200000000 ] - [ 0.0005785700000000, -0.0000013200000000, -0.0022305900000000 ] - [ -0.0002537800000000, 0.0003066500000000, -0.0015146800000000 ] - [ -0.0002548300000000, -0.0003060800000000, -0.0029576700000000 ] - [ 0.0253495700000000, 0.0000433000000000, 0.0022714000000000 ] - [ -0.0060193800000000, 0.0014794900000000, -0.0022630400000000 ] - [ -0.0059880000000000, -0.0014646400000000, 0.0066792500000000 ] - [ 0.0003489500000000, 0.0060721600000000, 0.0063303000000000 ] - [ 0.0003390500000000, -0.0060937000000000, -0.0018908500000000 ] - [ -0.0012817700000000, -0.0000118900000000, 0.0022331100000000 ] - [ 0.0011961800000000, 0.0017121100000000, 0.0018834300000000 ] - [ -0.0020351900000000, -0.0000003800000000, 0.0022302400000000 ] - [ 0.0011304500000000, -0.0017272700000000, 0.0026042600000000 ] - [ 0.0030242700000000, -0.0000022000000000, 0.0022321000000000 ] - [ -0.0017259400000000, -0.0007466600000000, 0.0035978600000000 ] - [ -0.0017321500000000, 0.0007540800000000, 0.0008718800000000 ] - [ 0.0003925100000000, 0.0010429500000000, 0.0020360500000000 ] - [ 0.0003958200000000, -0.0010460700000000, 0.0024320700000000 ] - [ -0.0007466800000000, -0.0000031000000000, 0.0022353800000000 ] - [ 0.0008843200000000, 0.0016911400000000, 0.0033991400000000 ] - [ -0.0018778200000000, -0.0000029600000000, 0.0022329100000000 ] - [ 0.0008896100000000, -0.0016921800000000, 0.0010692400000000 ] - [ 0.0070850100000000, 0.0003386400000000, -0.0006870300000000 ] - [ 0.0073714000000000, -0.0004786700000000, 0.0004054900000000 ] - [ -0.0032918000000000, 0.0000059000000000, 0.0000120200000000 ] - [ -0.0018893200000000, 0.0013356500000000, -0.0019557400000000 ] - [ 0.0065211700000000, -0.0000425300000000, 0.0000399800000000 ] - [ -0.0018975400000000, -0.0013478500000000, 0.0019732200000000 ] - [ 0.0004304800000000, -0.0000063800000000, -0.0000073500000000 ] - [ -0.0002661800000000, 0.0017406800000000, -0.0012170600000000 ] - [ -0.0002742900000000, -0.0017481800000000, 0.0012161800000000 ] - [ 0.0004693000000000, -0.0008395700000000, 0.0006974200000000 ] - [ 0.0004845400000000, 0.0008486600000000, -0.0006923400000000 ] - [ -0.0008872600000000, 0.0000022000000000, -0.0000034900000000 ] - [ -0.0007953800000000, 0.0003846600000000, 0.0003426200000000 ] - [ 0.0019389500000000, 0.0000002100000000, -0.0000025900000000 ] - [ -0.0007922600000000, -0.0003881200000000, -0.0003479200000000 ] - [ -0.0001245700000000, -0.0000065500000000, 0.0000039000000000 ] - [ 0.0000295700000000, 0.0005284200000000, -0.0000326500000000 ] - [ 0.0000275300000000, -0.0005290600000000, 0.0000296000000000 ] - [ -0.1613333400000000, -0.0009139400000000, -0.0123915400000000 ] - [ 0.0318461400000000, -0.0052004600000000, -0.0117738900000000 ] - [ 0.0314420500000000, 0.0051388300000000, -0.0120646200000000 ] - [ 0.0010184500000000, -0.0227588400000000, -0.0094393400000000 ] - [ 0.0010243600000000, 0.0229388500000000, -0.0144237500000000 ] - [ 0.0031849900000000, 0.0000223500000000, -0.0119297700000000 ] - [ 0.0009498800000000, -0.0125086500000000, -0.0092764700000000 ] - [ 0.0031843600000000, -0.0000049400000000, -0.0119297100000000 ] - [ 0.0010932500000000, 0.0125098900000000, -0.0145509700000000 ] - [ -0.0009066100000000, -0.0000012100000000, -0.0119306500000000 ] - [ 0.0004193700000000, -0.0000018100000000, -0.0122654200000000 ] - [ 0.0004257900000000, -0.0000029300000000, -0.0115886200000000 ] - [ -0.0001999900000000, -0.0003600900000000, -0.0119027700000000 ] - [ -0.0002035500000000, 0.0003591100000000, -0.0119498800000000 ] - [ 0.0003124000000000, 0.0000024100000000, -0.0119273000000000 ] - [ -0.0002028400000000, -0.0003590500000000, -0.0122442800000000 ] - [ 0.0003122400000000, -0.0000006500000000, -0.0119242900000000 ] - [ -0.0002007900000000, 0.0003634600000000, -0.0116145800000000 ] - [ 0.0036864400000000, -0.0046672800000000, -0.0151341900000000 ] - [ 0.0036333300000000, 0.0047109700000000, 0.0392524000000000 ] - [ 0.0051121100000000, 0.0000105800000000, 0.0119392100000000 ] - [ 0.0019659900000000, -0.0018007100000000, 0.0112326600000000 ] - [ -0.0038975100000000, -0.0000018800000000, 0.0119315500000000 ] - [ 0.0019743500000000, 0.0018278600000000, 0.0126191000000000 ] - [ -0.0044615600000000, 0.0000388100000000, 0.0118388600000000 ] - [ 0.0011070700000000, -0.0029123400000000, 0.0139814900000000 ] - [ 0.0011295500000000, 0.0028796300000000, 0.0098924500000000 ] - [ -0.0007972100000000, -0.0046061200000000, 0.0177590800000000 ] - [ -0.0008111400000000, 0.0046068600000000, 0.0060819600000000 ] - [ 0.0031136400000000, -0.0000022800000000, 0.0119185000000000 ] - [ 0.0002699500000000, -0.0016362900000000, 0.0131470700000000 ] - [ -0.0003006600000000, -0.0000002800000000, 0.0119284400000000 ] - [ 0.0002725400000000, 0.0016459400000000, 0.0107064900000000 ] - [ -0.0087832500000000, 0.0000052600000000, 0.0119371700000000 ] - [ 0.0044855100000000, -0.0027662100000000, 0.0084393400000000 ] - [ 0.0044896500000000, 0.0027621300000000, 0.0154107000000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0081906100000000, 0.0047288500000000, 0.0225721900000000 ] - [ 0.0081906100000000, 0.0047288500000000, 0.0225721900000000 ] - [ 0.0000000000000000, -0.0004962300000000, -0.0007326900000000 ] - [ 0.0004297500000000, 0.0002481100000000, -0.0007326900000000 ] - [ 0.0000000000000000, -0.0005134100000000, 0.0006007700000000 ] - [ -0.0004297500000000, 0.0002481100000000, -0.0007326900000000 ] - [ 0.0000000000000000, -0.0094577000000000, 0.0225721900000000 ] - [ -0.0004446300000000, 0.0002567100000000, 0.0006007700000000 ] - [ 0.0004446300000000, 0.0002567100000000, 0.0006007700000000 ] - [ -0.0003233900000000, 0.0001867100000000, -0.0053155000000000 ] - [ 0.0003233900000000, 0.0001867100000000, -0.0053155000000000 ] - [ 0.0000000000000000, 0.0005516900000000, -0.0037364600000000 ] - [ -0.0004777800000000, -0.0002758400000000, -0.0037364600000000 ] - [ 0.0000000000000000, -0.0003466500000000, -0.0046428700000000 ] - [ 0.0004777800000000, -0.0002758400000000, -0.0037364600000000 ] - [ 0.0000000000000000, -0.0003734100000000, -0.0053155000000000 ] - [ -0.0003002100000000, 0.0001733300000000, -0.0046428700000000 ] - [ 0.0003002100000000, 0.0001733300000000, -0.0046428700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0336692100000000 ] - [ -0.0037304900000000, 0.0019022200000000, 0.0038910500000000 ] - [ 0.0037304900000000, 0.0019022200000000, 0.0038910500000000 ] - [ 0.0002178800000000, -0.0041818100000000, 0.0038910500000000 ] - [ -0.0002178800000000, -0.0041818100000000, 0.0038910500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029423400000000 ] - [ -0.0035126100000000, 0.0022795900000000, 0.0038910500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030036100000000 ] - [ 0.0035126100000000, 0.0022795900000000, 0.0038910500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028695500000000 ] - [ 0.0023429300000000, 0.0005195400000000, -0.0002150400000000 ] - [ -0.0023429300000000, 0.0005195400000000, -0.0002150400000000 ] - [ -0.0016214000000000, 0.0017692600000000, -0.0002150400000000 ] - [ 0.0016214000000000, 0.0017692600000000, -0.0002150400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015687800000000 ] - [ 0.0007215200000000, -0.0022888100000000, -0.0002150400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007772900000000 ] - [ -0.0007215200000000, -0.0022888100000000, -0.0002150400000000 ] - [ 0.0008818000000000, 0.0005091100000000, 0.0048351500000000 ] - [ -0.0008818000000000, 0.0005091100000000, 0.0048351500000000 ] - [ 0.0000000000000000, 0.0002859900000000, 0.0016510900000000 ] - [ -0.0003823100000000, 0.0002207300000000, 0.0018460500000000 ] - [ 0.0000000000000000, -0.0010182100000000, 0.0048351500000000 ] - [ 0.0003823100000000, 0.0002207300000000, 0.0018460500000000 ] - [ 0.0000000000000000, -0.0004414500000000, 0.0018460500000000 ] - [ -0.0002476700000000, -0.0001429900000000, 0.0016510900000000 ] - [ 0.0002476700000000, -0.0001429900000000, 0.0016510900000000 ] - [ 0.0014672000000000, 0.0008470900000000, -0.0036173900000000 ] - [ -0.0014672000000000, 0.0008470900000000, -0.0036173900000000 ] - [ 0.0000000000000000, 0.0000946500000000, -0.0012276500000000 ] - [ 0.0004975600000000, -0.0002872700000000, -0.0020565800000000 ] - [ 0.0000000000000000, -0.0016941800000000, -0.0036173900000000 ] - [ -0.0004975600000000, -0.0002872700000000, -0.0020565800000000 ] - [ 0.0000000000000000, 0.0005745400000000, -0.0020565800000000 ] - [ -0.0000819700000000, -0.0000473200000000, -0.0012276500000000 ] - [ 0.0000819700000000, -0.0000473200000000, -0.0012276500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1793222200000000 ] - [ -0.0001890400000000, -0.0029427500000000, -0.0200793700000000 ] - [ 0.0001890400000000, -0.0029427500000000, -0.0200793700000000 ] - [ 0.0026430100000000, 0.0013076700000000, -0.0200793700000000 ] - [ -0.0026430100000000, 0.0013076700000000, -0.0200793700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0143752800000000 ] - [ 0.0024539800000000, 0.0016350800000000, -0.0200793700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0143805900000000 ] - [ -0.0024539800000000, 0.0016350800000000, -0.0200793700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0058980700000000 ] - [ 0.0003424200000000, 0.0001659500000000, -0.0085523100000000 ] - [ -0.0003424200000000, 0.0001659500000000, -0.0085523100000000 ] - [ -0.0003149300000000, 0.0002135700000000, -0.0085523100000000 ] - [ 0.0003149300000000, 0.0002135700000000, -0.0085523100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0098390400000000 ] - [ 0.0000275000000000, -0.0003795200000000, -0.0085523100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0098383800000000 ] - [ -0.0000275000000000, -0.0003795200000000, -0.0085523100000000 ] - [ -0.0274022000000000, 0.0158206700000000, 0.0315150900000000 ] - [ 0.0274022000000000, 0.0158206700000000, 0.0315150900000000 ] - [ 0.0000000000000000, 0.0008057500000000, 0.0127333100000000 ] - [ -0.0006978000000000, -0.0004028800000000, 0.0127333100000000 ] - [ 0.0000000000000000, 0.0023666900000000, 0.0121545800000000 ] - [ 0.0006978000000000, -0.0004028800000000, 0.0127333100000000 ] - [ 0.0000000000000000, -0.0316413400000000, 0.0315150900000000 ] - [ 0.0020496200000000, -0.0011833500000000, 0.0121545800000000 ] - [ -0.0020496200000000, -0.0011833500000000, 0.0121545800000000 ] - [ 0.0058056000000000, -0.0033518600000000, 0.0205484700000000 ] - [ -0.0058056000000000, -0.0033518600000000, 0.0205484700000000 ] - [ 0.0000000000000000, -0.0014059000000000, 0.0116581300000000 ] - [ 0.0012175400000000, 0.0007029500000000, 0.0116581300000000 ] - [ 0.0000000000000000, -0.0040161700000000, 0.0159796300000000 ] - [ -0.0012175400000000, 0.0007029500000000, 0.0116581300000000 ] - [ 0.0000000000000000, 0.0067037300000000, 0.0205484700000000 ] - [ -0.0034781100000000, 0.0020080900000000, 0.0159796300000000 ] - [ 0.0034781100000000, 0.0020080900000000, 0.0159796300000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0079890600000000, -0.0046124800000000, -0.0269718600000000 ] - [ -0.0079890600000000, -0.0046124800000000, -0.0269718600000000 ] - [ 0.0000000000000000, 0.0004977700000000, -0.0037237600000000 ] - [ -0.0004310800000000, -0.0002488800000000, -0.0037237600000000 ] - [ 0.0000000000000000, 0.0005221000000000, -0.0050540100000000 ] - [ 0.0004310800000000, -0.0002488800000000, -0.0037237600000000 ] - [ 0.0000000000000000, 0.0092249700000000, -0.0269718600000000 ] - [ 0.0004521500000000, -0.0002610500000000, -0.0050540100000000 ] - [ -0.0004521500000000, -0.0002610500000000, -0.0050540100000000 ] - [ 0.0003367600000000, -0.0001944300000000, 0.0008513900000000 ] - [ -0.0003367600000000, -0.0001944300000000, 0.0008513900000000 ] - [ 0.0000000000000000, -0.0005547300000000, -0.0007351800000000 ] - [ 0.0004804100000000, 0.0002773600000000, -0.0007351800000000 ] - [ 0.0000000000000000, 0.0003401400000000, 0.0001651000000000 ] - [ -0.0004804100000000, 0.0002773600000000, -0.0007351800000000 ] - [ 0.0000000000000000, 0.0003888600000000, 0.0008513900000000 ] - [ 0.0002945700000000, -0.0001700700000000, 0.0001651000000000 ] - [ -0.0002945700000000, -0.0001700700000000, 0.0001651000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0262153300000000 ] - [ 0.0037001500000000, -0.0018904700000000, 0.0006041800000000 ] - [ -0.0037001500000000, -0.0018904700000000, 0.0006041800000000 ] - [ -0.0002128800000000, 0.0041496600000000, 0.0006041800000000 ] - [ 0.0002128800000000, 0.0041496600000000, 0.0006041800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015370000000000 ] - [ 0.0034872700000000, -0.0022591900000000, 0.0006041800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014734000000000 ] - [ -0.0034872700000000, -0.0022591900000000, 0.0006041800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0073821600000000 ] - [ -0.0023563300000000, -0.0005130900000000, 0.0046818900000000 ] - [ 0.0023563300000000, -0.0005130900000000, 0.0046818900000000 ] - [ 0.0016225100000000, -0.0017840900000000, 0.0046818900000000 ] - [ -0.0016225100000000, -0.0017840900000000, 0.0046818900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028919600000000 ] - [ -0.0007338100000000, 0.0022971800000000, 0.0046818900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036805000000000 ] - [ 0.0007338100000000, 0.0022971800000000, 0.0046818900000000 ] - [ -0.0011120900000000, -0.0006420600000000, -0.0050632100000000 ] - [ 0.0011120900000000, -0.0006420600000000, -0.0050632100000000 ] - [ 0.0000000000000000, -0.0002882000000000, -0.0016626700000000 ] - [ 0.0003831300000000, -0.0002212000000000, -0.0018624900000000 ] - [ 0.0000000000000000, 0.0012841300000000, -0.0050632100000000 ] - [ -0.0003831300000000, -0.0002212000000000, -0.0018624900000000 ] - [ 0.0000000000000000, 0.0004424000000000, -0.0018624900000000 ] - [ 0.0002495800000000, 0.0001441000000000, -0.0016626700000000 ] - [ -0.0002495800000000, 0.0001441000000000, -0.0016626700000000 ] - [ -0.0014536800000000, -0.0008392800000000, 0.0036006300000000 ] - [ 0.0014536800000000, -0.0008392800000000, 0.0036006300000000 ] - [ 0.0000000000000000, -0.0000939200000000, 0.0012295800000000 ] - [ -0.0004967200000000, 0.0002867800000000, 0.0020565900000000 ] - [ 0.0000000000000000, 0.0016785600000000, 0.0036006300000000 ] - [ 0.0004967200000000, 0.0002867800000000, 0.0020565900000000 ] - [ 0.0000000000000000, -0.0005735600000000, 0.0020565900000000 ] - [ 0.0000813400000000, 0.0000469600000000, 0.0012295800000000 ] - [ -0.0000813400000000, 0.0000469600000000, 0.0012295800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1521586300000000 ] - [ 0.0001016000000000, 0.0029805500000000, -0.0037759300000000 ] - [ -0.0001016000000000, 0.0029805500000000, -0.0037759300000000 ] - [ -0.0026320300000000, -0.0014022800000000, -0.0037759300000000 ] - [ 0.0026320300000000, -0.0014022800000000, -0.0037759300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0094748700000000 ] - [ -0.0025304300000000, -0.0015782600000000, -0.0037759300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0094792300000000 ] - [ 0.0025304300000000, -0.0015782600000000, -0.0037759300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0179786000000000 ] - [ -0.0003333000000000, -0.0001700700000000, -0.0153018400000000 ] - [ 0.0003333000000000, -0.0001700700000000, -0.0153018400000000 ] - [ 0.0003139300000000, -0.0002036100000000, -0.0153018400000000 ] - [ -0.0003139300000000, -0.0002036100000000, -0.0153018400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0140133500000000 ] - [ -0.0000193600000000, 0.0003736800000000, -0.0153018400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0140114600000000 ] - [ 0.0000193600000000, 0.0003736800000000, -0.0153018400000000 ] - [ 0.0269874500000000, -0.0155812100000000, -0.0073820400000000 ] - [ -0.0269874500000000, -0.0155812100000000, -0.0073820400000000 ] - [ 0.0000000000000000, -0.0007956700000000, 0.0111084600000000 ] - [ 0.0006890700000000, 0.0003978300000000, 0.0111084600000000 ] - [ 0.0000000000000000, -0.0023544100000000, 0.0116898900000000 ] - [ -0.0006890700000000, 0.0003978300000000, 0.0111084600000000 ] - [ 0.0000000000000000, 0.0311624300000000, -0.0073820400000000 ] - [ -0.0020389800000000, 0.0011772100000000, 0.0116898900000000 ] - [ 0.0020389800000000, 0.0011772100000000, 0.0116898900000000 ] - [ -0.0058723300000000, 0.0033903900000000, 0.0032542400000000 ] - [ 0.0058723300000000, 0.0033903900000000, 0.0032542400000000 ] - [ 0.0000000000000000, 0.0014122700000000, 0.0122147700000000 ] - [ -0.0012230600000000, -0.0007061400000000, 0.0122147700000000 ] - [ 0.0000000000000000, 0.0040336900000000, 0.0078843600000000 ] - [ 0.0012230600000000, -0.0007061400000000, 0.0122147700000000 ] - [ 0.0000000000000000, -0.0067807900000000, 0.0032542400000000 ] - [ 0.0034932800000000, -0.0020168500000000, 0.0078843600000000 ] - [ -0.0034932800000000, -0.0020168500000000, 0.0078843600000000 ]