# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/390063a2-1f10-464e-a45c-91b90ec0ca6f/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 Th2SeN2 / P-3m1 (164) / materials id 7768](https://mdr.nims.go.jp/datasets/0cd84665-b708-4fed-b5ea-c74f64d163ea) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P-3m1" number: 164 Hall_symbol: "-P 3 2\""supercell_matrix:- [ 3, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 4.005654009999999, 0.000000000000000, 0.000000000000000 ] # a - [ -2.002827000000000, 3.468998130000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 7.104106990000000 ] # c points: - symbol: N # 1 coordinates: [ 0.333333330000000, 0.666666670000000, 0.626929330000000 ] mass: 14.006700 - symbol: N # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.373070670000000 ] mass: 14.006700 - symbol: Se # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 78.960000 - symbol: Th # 4 coordinates: [ 0.666666670000000, 0.333333330000000, 0.704896150000000 ] mass: 232.038060 - symbol: Th # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.295103850000000 ] mass: 232.038060 reciprocal_lattice: # without 2pi - [ 0.249647123167285, 0.144133833462679, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.288267667645010, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.140763645790757 ] # c*unit_cell: lattice: - [ 4.005654010000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.002827000000000, 3.468998130000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 7.104106990000000 ] # c points: - symbol: N # 1 coordinates: [ 0.333333330000000, 0.666666670000000, 0.626929330000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.373070670000000 ] mass: 14.006700 reduced_to: 2 - symbol: Se # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 3 - symbol: Th # 4 coordinates: [ 0.666666670000000, 0.333333330000000, 0.704896150000000 ] mass: 232.038060 reduced_to: 4 - symbol: Th # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.295103850000000 ] mass: 232.038060 reduced_to: 5supercell: lattice: - [ 12.016962029999998, 0.000000000000000, 0.000000000000000 ] # a - [ -6.008481000000000, 10.406994390000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.208213980000000 ] # c points: - symbol: N # 1 coordinates: [ 0.111111110000000, 0.222222223333333, 0.313464665000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 2 coordinates: [ 0.444444443333333, 0.222222223333333, 0.313464665000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 3 coordinates: [ 0.777777776666667, 0.222222223333333, 0.313464665000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 4 coordinates: [ 0.111111110000000, 0.555555556666667, 0.313464665000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 5 coordinates: [ 0.444444443333333, 0.555555556666667, 0.313464665000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 6 coordinates: [ 0.777777776666667, 0.555555556666667, 0.313464665000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 7 coordinates: [ 0.111111110000000, 0.888888890000000, 0.313464665000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 8 coordinates: [ 0.444444443333333, 0.888888890000000, 0.313464665000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 9 coordinates: [ 0.777777776666667, 0.888888890000000, 0.313464665000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 10 coordinates: [ 0.111111110000000, 0.222222223333333, 0.813464665000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 11 coordinates: [ 0.444444443333333, 0.222222223333333, 0.813464665000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 12 coordinates: [ 0.777777776666667, 0.222222223333333, 0.813464665000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 13 coordinates: [ 0.111111110000000, 0.555555556666667, 0.813464665000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 14 coordinates: [ 0.444444443333333, 0.555555556666667, 0.813464665000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 15 coordinates: [ 0.777777776666667, 0.555555556666667, 0.813464665000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 16 coordinates: [ 0.111111110000000, 0.888888890000000, 0.813464665000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 17 coordinates: [ 0.444444443333333, 0.888888890000000, 0.813464665000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 18 coordinates: [ 0.777777776666667, 0.888888890000000, 0.813464665000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 19 coordinates: [ 0.222222223333333, 0.111111110000000, 0.186535335000000 ] mass: 14.006700 reduced_to: 19 - symbol: N # 20 coordinates: [ 0.555555556666667, 0.111111110000000, 0.186535335000000 ] mass: 14.006700 reduced_to: 19 - symbol: N # 21 coordinates: [ 0.888888890000000, 0.111111110000000, 0.186535335000000 ] mass: 14.006700 reduced_to: 19 - symbol: N # 22 coordinates: [ 0.222222223333333, 0.444444443333333, 0.186535335000000 ] mass: 14.006700 reduced_to: 19 - symbol: N # 23 coordinates: [ 0.555555556666667, 0.444444443333333, 0.186535335000000 ] mass: 14.006700 reduced_to: 19 - symbol: N # 24 coordinates: [ 0.888888890000000, 0.444444443333333, 0.186535335000000 ] mass: 14.006700 reduced_to: 19 - symbol: N # 25 coordinates: [ 0.222222223333333, 0.777777776666667, 0.186535335000000 ] mass: 14.006700 reduced_to: 19 - symbol: N # 26 coordinates: [ 0.555555556666667, 0.777777776666667, 0.186535335000000 ] mass: 14.006700 reduced_to: 19 - symbol: N # 27 coordinates: [ 0.888888890000000, 0.777777776666667, 0.186535335000000 ] mass: 14.006700 reduced_to: 19 - symbol: N # 28 coordinates: [ 0.222222223333333, 0.111111110000000, 0.686535335000000 ] mass: 14.006700 reduced_to: 19 - symbol: N # 29 coordinates: [ 0.555555556666667, 0.111111110000000, 0.686535335000000 ] mass: 14.006700 reduced_to: 19 - symbol: N # 30 coordinates: [ 0.888888890000000, 0.111111110000000, 0.686535335000000 ] mass: 14.006700 reduced_to: 19 - symbol: N # 31 coordinates: [ 0.222222223333333, 0.444444443333333, 0.686535335000000 ] mass: 14.006700 reduced_to: 19 - symbol: N # 32 coordinates: [ 0.555555556666667, 0.444444443333333, 0.686535335000000 ] mass: 14.006700 reduced_to: 19 - symbol: N # 33 coordinates: [ 0.888888890000000, 0.444444443333333, 0.686535335000000 ] mass: 14.006700 reduced_to: 19 - symbol: N # 34 coordinates: [ 0.222222223333333, 0.777777776666667, 0.686535335000000 ] mass: 14.006700 reduced_to: 19 - symbol: N # 35 coordinates: [ 0.555555556666667, 0.777777776666667, 0.686535335000000 ] mass: 14.006700 reduced_to: 19 - symbol: N # 36 coordinates: [ 0.888888890000000, 0.777777776666667, 0.686535335000000 ] mass: 14.006700 reduced_to: 19 - symbol: Se # 37 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 38 coordinates: [ 0.333333333333333, 0.000000000000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 39 coordinates: [ 0.666666666666667, 0.000000000000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 40 coordinates: [ 0.000000000000000, 0.333333333333333, 0.000000000000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 41 coordinates: [ 0.333333333333333, 0.333333333333333, 0.000000000000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 42 coordinates: [ 0.666666666666667, 0.333333333333333, 0.000000000000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 43 coordinates: [ 0.000000000000000, 0.666666666666667, 0.000000000000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 44 coordinates: [ 0.333333333333333, 0.666666666666667, 0.000000000000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 45 coordinates: [ 0.666666666666667, 0.666666666666667, 0.000000000000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 46 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 47 coordinates: [ 0.333333333333333, 0.000000000000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 48 coordinates: [ 0.666666666666667, 0.000000000000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 49 coordinates: [ 0.000000000000000, 0.333333333333333, 0.500000000000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 50 coordinates: [ 0.333333333333333, 0.333333333333333, 0.500000000000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 51 coordinates: [ 0.666666666666667, 0.333333333333333, 0.500000000000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 52 coordinates: [ 0.000000000000000, 0.666666666666667, 0.500000000000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 53 coordinates: [ 0.333333333333333, 0.666666666666667, 0.500000000000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 54 coordinates: [ 0.666666666666667, 0.666666666666667, 0.500000000000000 ] mass: 78.960000 reduced_to: 37 - symbol: Th # 55 coordinates: [ 0.222222223333333, 0.111111110000000, 0.352448075000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 56 coordinates: [ 0.555555556666667, 0.111111110000000, 0.352448075000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 57 coordinates: [ 0.888888890000000, 0.111111110000000, 0.352448075000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 58 coordinates: [ 0.222222223333333, 0.444444443333333, 0.352448075000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 59 coordinates: [ 0.555555556666667, 0.444444443333333, 0.352448075000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 60 coordinates: [ 0.888888890000000, 0.444444443333333, 0.352448075000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 61 coordinates: [ 0.222222223333333, 0.777777776666667, 0.352448075000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 62 coordinates: [ 0.555555556666667, 0.777777776666667, 0.352448075000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 63 coordinates: [ 0.888888890000000, 0.777777776666667, 0.352448075000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 64 coordinates: [ 0.222222223333333, 0.111111110000000, 0.852448075000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 65 coordinates: [ 0.555555556666667, 0.111111110000000, 0.852448075000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 66 coordinates: [ 0.888888890000000, 0.111111110000000, 0.852448075000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 67 coordinates: [ 0.222222223333333, 0.444444443333333, 0.852448075000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 68 coordinates: [ 0.555555556666667, 0.444444443333333, 0.852448075000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 69 coordinates: [ 0.888888890000000, 0.444444443333333, 0.852448075000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 70 coordinates: [ 0.222222223333333, 0.777777776666667, 0.852448075000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 71 coordinates: [ 0.555555556666667, 0.777777776666667, 0.852448075000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 72 coordinates: [ 0.888888890000000, 0.777777776666667, 0.852448075000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 73 coordinates: [ 0.111111110000000, 0.222222223333333, 0.147551925000000 ] mass: 232.038060 reduced_to: 73 - symbol: Th # 74 coordinates: [ 0.444444443333333, 0.222222223333333, 0.147551925000000 ] mass: 232.038060 reduced_to: 73 - symbol: Th # 75 coordinates: [ 0.777777776666667, 0.222222223333333, 0.147551925000000 ] mass: 232.038060 reduced_to: 73 - symbol: Th # 76 coordinates: [ 0.111111110000000, 0.555555556666667, 0.147551925000000 ] mass: 232.038060 reduced_to: 73 - symbol: Th # 77 coordinates: [ 0.444444443333333, 0.555555556666667, 0.147551925000000 ] mass: 232.038060 reduced_to: 73 - symbol: Th # 78 coordinates: [ 0.777777776666667, 0.555555556666667, 0.147551925000000 ] mass: 232.038060 reduced_to: 73 - symbol: Th # 79 coordinates: [ 0.111111110000000, 0.888888890000000, 0.147551925000000 ] mass: 232.038060 reduced_to: 73 - symbol: Th # 80 coordinates: [ 0.444444443333333, 0.888888890000000, 0.147551925000000 ] mass: 232.038060 reduced_to: 73 - symbol: Th # 81 coordinates: [ 0.777777776666667, 0.888888890000000, 0.147551925000000 ] mass: 232.038060 reduced_to: 73 - symbol: Th # 82 coordinates: [ 0.111111110000000, 0.222222223333333, 0.647551925000000 ] mass: 232.038060 reduced_to: 73 - symbol: Th # 83 coordinates: [ 0.444444443333333, 0.222222223333333, 0.647551925000000 ] mass: 232.038060 reduced_to: 73 - symbol: Th # 84 coordinates: [ 0.777777776666667, 0.222222223333333, 0.647551925000000 ] mass: 232.038060 reduced_to: 73 - symbol: Th # 85 coordinates: [ 0.111111110000000, 0.555555556666667, 0.647551925000000 ] mass: 232.038060 reduced_to: 73 - symbol: Th # 86 coordinates: [ 0.444444443333333, 0.555555556666667, 0.647551925000000 ] mass: 232.038060 reduced_to: 73 - symbol: Th # 87 coordinates: [ 0.777777776666667, 0.555555556666667, 0.647551925000000 ] mass: 232.038060 reduced_to: 73 - symbol: Th # 88 coordinates: [ 0.111111110000000, 0.888888890000000, 0.647551925000000 ] mass: 232.038060 reduced_to: 73 - symbol: Th # 89 coordinates: [ 0.444444443333333, 0.888888890000000, 0.647551925000000 ] mass: 232.038060 reduced_to: 73 - symbol: Th # 90 coordinates: [ 0.777777776666667, 0.888888890000000, 0.647551925000000 ] mass: 232.038060 reduced_to: 73born_effective_charge:- # 1 (N) - [ -4.108959440000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -4.108959440000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -3.710384490000000 ]- # 2 (N) - [ -4.108959440000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -4.108959440000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -3.710384490000000 ]- # 3 (Se) - [ -2.202099620000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -2.202099620000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -3.208248530000000 ]- # 4 (Th) - [ 5.210009250000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 5.210009250000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 5.314508750000000 ]- # 5 (Th) - [ 5.210009250000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 5.210009250000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 5.314508750000000 ]dielectric_constant: - [ 8.280952530000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 8.280952530000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 8.454188880000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1024532100000000, 0.0010862400000000, 0.0009884900000000 ] - [ 0.0120481600000000, 0.0063056900000000, -0.0010694400000000 ] - [ 0.0119664700000000, -0.0062538900000000, 0.0038112800000000 ] - [ -0.0017358000000000, -0.0016970900000000, 0.0014896300000000 ] - [ -0.0018225900000000, 0.0016629400000000, 0.0012877400000000 ] - [ 0.0019756000000000, -0.0000021900000000, 0.0013805800000000 ] - [ -0.0017846100000000, -0.0142928000000000, -0.0009721500000000 ] - [ 0.0019759000000000, -0.0000089400000000, 0.0013799000000000 ] - [ -0.0017739500000000, 0.0141862800000000, 0.0037070600000000 ] - [ -0.0003595300000000, 0.0000010400000000, 0.0013868800000000 ] - [ 0.0002107200000000, -0.0000211400000000, 0.0017822300000000 ] - [ 0.0002158600000000, 0.0000251100000000, 0.0009923900000000 ] - [ -0.0001140000000000, -0.0002151900000000, 0.0009944000000000 ] - [ -0.0001149300000000, 0.0002096400000000, 0.0017803200000000 ] - [ 0.0002078000000000, -0.0000003700000000, 0.0013870300000000 ] - [ -0.0001163100000000, -0.0001658200000000, 0.0013882500000000 ] - [ 0.0002079300000000, -0.0000014200000000, 0.0013877500000000 ] - [ -0.0001127700000000, 0.0001663300000000, 0.0013845600000000 ] - [ 0.0078736500000000, -0.0073206400000000, -0.0186503100000000 ] - [ 0.0036439200000000, -0.0000010800000000, -0.0013927300000000 ] - [ 0.0079015700000000, 0.0072567400000000, 0.0156946400000000 ] - [ -0.0047361100000000, -0.0000541600000000, -0.0013475200000000 ] - [ 0.0005971400000000, 0.0030665200000000, -0.0020930900000000 ] - [ 0.0006083100000000, -0.0030457600000000, -0.0006790100000000 ] - [ 0.0021068800000000, -0.0008986300000000, -0.0018019600000000 ] - [ 0.0021022600000000, 0.0008787400000000, -0.0009723800000000 ] - [ -0.0046906000000000, 0.0000004500000000, -0.0013902100000000 ] - [ -0.0006360300000000, -0.0003196500000000, -0.0010126000000000 ] - [ 0.0015941700000000, 0.0000031000000000, -0.0013798700000000 ] - [ -0.0006325700000000, 0.0003201700000000, -0.0017487000000000 ] - [ -0.0011883000000000, 0.0000006700000000, -0.0013801700000000 ] - [ 0.0008295900000000, 0.0006299200000000, -0.0006726800000000 ] - [ 0.0008287400000000, -0.0006272800000000, -0.0020879000000000 ] - [ 0.0002411000000000, -0.0007815800000000, -0.0013824200000000 ] - [ 0.0002473200000000, 0.0007771000000000, -0.0013795800000000 ] - [ -0.0002594600000000, 0.0000020800000000, -0.0013832100000000 ] - [ -0.0011293700000000, 0.0000112000000000, 0.0000059400000000 ] - [ 0.0005851100000000, -0.0003085000000000, -0.0008493500000000 ] - [ 0.0005849400000000, 0.0003079600000000, 0.0008459600000000 ] - [ -0.0004738300000000, -0.0003749900000000, 0.0001468600000000 ] - [ -0.0005024200000000, 0.0003655100000000, -0.0001205200000000 ] - [ 0.0008195200000000, 0.0000006400000000, -0.0000006400000000 ] - [ -0.0000170100000000, -0.0004852700000000, -0.0005258200000000 ] - [ 0.0000511900000000, -0.0000029300000000, 0.0000025600000000 ] - [ -0.0000198700000000, 0.0004822900000000, 0.0005263000000000 ] - [ -0.0037436700000000, 0.0000129600000000, -0.0000133100000000 ] - [ 0.0035116900000000, -0.0020162500000000, 0.0042724300000000 ] - [ 0.0034902800000000, 0.0020007700000000, -0.0042345400000000 ] - [ 0.0010139200000000, -0.0027340200000000, -0.0050053900000000 ] - [ 0.0009964000000000, 0.0027494900000000, 0.0050275000000000 ] - [ 0.0009994900000000, 0.0000022100000000, 0.0000020900000000 ] - [ -0.0000610600000000, -0.0006133900000000, -0.0000414100000000 ] - [ 0.0000221700000000, -0.0000090800000000, -0.0000087900000000 ] - [ -0.0000625400000000, 0.0006120700000000, 0.0000450300000000 ] - [ 0.0231082700000000, -0.0051975600000000, 0.0160156300000000 ] - [ -0.0077936800000000, 0.0000074600000000, 0.0087856700000000 ] - [ 0.0215888700000000, 0.0042946700000000, 0.0020859300000000 ] - [ 0.0141316600000000, 0.0000337900000000, 0.0087868000000000 ] - [ -0.0023144400000000, -0.0050398300000000, 0.0082682800000000 ] - [ -0.0023200900000000, 0.0049910600000000, 0.0092939500000000 ] - [ -0.0032686700000000, 0.0026378500000000, 0.0082939300000000 ] - [ -0.0032517500000000, -0.0025965300000000, 0.0092805100000000 ] - [ 0.0063694200000000, 0.0000007900000000, 0.0087820800000000 ] - [ 0.0003597300000000, 0.0000674500000000, 0.0088915000000000 ] - [ -0.0007627700000000, -0.0000019900000000, 0.0087834800000000 ] - [ 0.0003548300000000, -0.0000747200000000, 0.0086672400000000 ] - [ 0.0004806400000000, 0.0000031200000000, 0.0087763500000000 ] - [ -0.0002059500000000, -0.0002624800000000, 0.0084192700000000 ] - [ -0.0002112300000000, 0.0002644300000000, 0.0091370000000000 ] - [ -0.0000996700000000, 0.0003852900000000, 0.0092392800000000 ] - [ -0.0001003200000000, -0.0003797500000000, 0.0083243900000000 ] - [ 0.0002475200000000, -0.0000006500000000, 0.0087803100000000 ] - [ 0.0250323400000000, -0.0000183300000000, -0.0087930600000000 ] - [ -0.0058043900000000, -0.0023579800000000, -0.0050508500000000 ] - [ -0.0058003900000000, 0.0023439900000000, -0.0124852500000000 ] - [ 0.0002914800000000, 0.0020746700000000, -0.0089909500000000 ] - [ 0.0003348100000000, -0.0020515300000000, -0.0085887200000000 ] - [ -0.0011900600000000, 0.0000027700000000, -0.0087796500000000 ] - [ 0.0010794300000000, 0.0054389500000000, -0.0052591700000000 ] - [ -0.0018714100000000, 0.0000063500000000, -0.0087804100000000 ] - [ 0.0010761700000000, -0.0054413300000000, -0.0122914400000000 ] - [ 0.0026782500000000, 0.0000035000000000, -0.0087869600000000 ] - [ -0.0015185000000000, 0.0001852200000000, -0.0109454100000000 ] - [ -0.0015198300000000, -0.0001953700000000, -0.0066345600000000 ] - [ 0.0004003000000000, 0.0017601300000000, -0.0072158900000000 ] - [ 0.0003999000000000, -0.0017622200000000, -0.0103573600000000 ] - [ -0.0007230400000000, -0.0000017400000000, -0.0087883600000000 ] - [ 0.0008108800000000, 0.0006881100000000, -0.0093716900000000 ] - [ -0.0016969600000000, 0.0000058500000000, -0.0087912700000000 ] - [ 0.0007913900000000, -0.0006852500000000, -0.0082027000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.1011102200000000 ] - [ 0.0024226300000000, 0.0012840000000000, -0.0026506400000000 ] - [ -0.0024226300000000, 0.0012840000000000, -0.0026506400000000 ] - [ -0.0023233000000000, 0.0014560600000000, -0.0026506400000000 ] - [ 0.0023233000000000, 0.0014560600000000, -0.0026506400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000271200000000 ] - [ 0.0000993400000000, -0.0027400700000000, -0.0026506400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000299600000000 ] - [ -0.0000993400000000, -0.0027400700000000, -0.0026506400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037513000000000 ] - [ -0.0003914600000000, 0.0002238700000000, 0.0030510100000000 ] - [ 0.0003914600000000, 0.0002238700000000, 0.0030510100000000 ] - [ 0.0000018500000000, -0.0004509500000000, 0.0030510100000000 ] - [ -0.0000018500000000, -0.0004509500000000, 0.0030510100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027547800000000 ] - [ -0.0003896100000000, 0.0002270800000000, 0.0030510100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027536900000000 ] - [ 0.0003896100000000, 0.0002270800000000, 0.0030510100000000 ] - [ -0.0171021500000000, 0.0098739300000000, -0.0023810600000000 ] - [ 0.0000000000000000, 0.0004797000000000, -0.0029989900000000 ] - [ 0.0171021500000000, 0.0098739300000000, -0.0023810600000000 ] - [ 0.0000000000000000, -0.0197478700000000, -0.0023810600000000 ] - [ -0.0007081000000000, -0.0004088200000000, -0.0034217300000000 ] - [ 0.0007081000000000, -0.0004088200000000, -0.0034217300000000 ] - [ -0.0004154300000000, -0.0002398500000000, -0.0029989900000000 ] - [ 0.0004154300000000, -0.0002398500000000, -0.0029989900000000 ] - [ 0.0000000000000000, 0.0008176400000000, -0.0034217300000000 ] - [ 0.0003681300000000, -0.0002125400000000, 0.0005340800000000 ] - [ 0.0000000000000000, -0.0000023100000000, -0.0000615100000000 ] - [ -0.0003681300000000, -0.0002125400000000, 0.0005340800000000 ] - [ 0.0000000000000000, 0.0004250700000000, 0.0005340800000000 ] - [ 0.0007078900000000, 0.0004087000000000, 0.0005191700000000 ] - [ -0.0007078900000000, 0.0004087000000000, 0.0005191700000000 ] - [ 0.0000020000000000, 0.0000011500000000, -0.0000615100000000 ] - [ -0.0000020000000000, 0.0000011500000000, -0.0000615100000000 ] - [ 0.0000000000000000, -0.0008174000000000, 0.0005191700000000 ] - [ 0.0000000000000000, 0.0035639300000000, 0.0037380400000000 ] - [ -0.0003321100000000, 0.0001917400000000, 0.0006129300000000 ] - [ 0.0003321100000000, 0.0001917400000000, 0.0006129300000000 ] - [ 0.0030864500000000, -0.0017819600000000, 0.0037380400000000 ] - [ -0.0030864500000000, -0.0017819600000000, 0.0037380400000000 ] - [ 0.0000000000000000, -0.0001348600000000, 0.0005602400000000 ] - [ 0.0001167900000000, 0.0000674300000000, 0.0005602400000000 ] - [ 0.0000000000000000, -0.0003834900000000, 0.0006129300000000 ] - [ -0.0001167900000000, 0.0000674300000000, 0.0005602400000000 ] - [ 0.0000000000000000, -0.0037093200000000, 0.0038393200000000 ] - [ 0.0009549700000000, -0.0005513500000000, 0.0009381400000000 ] - [ -0.0009549700000000, -0.0005513500000000, 0.0009381400000000 ] - [ -0.0032123700000000, 0.0018546600000000, 0.0038393200000000 ] - [ 0.0032123700000000, 0.0018546600000000, 0.0038393200000000 ] - [ 0.0000000000000000, 0.0000198300000000, -0.0001335000000000 ] - [ -0.0000171700000000, -0.0000099100000000, -0.0001335000000000 ] - [ 0.0000000000000000, 0.0011027000000000, 0.0009381400000000 ] - [ 0.0000171700000000, -0.0000099100000000, -0.0001335000000000 ] - [ 0.0038035900000000, -0.0021960100000000, 0.0331194800000000 ] - [ 0.0000000000000000, 0.0005121100000000, 0.0104203700000000 ] - [ -0.0038035900000000, -0.0021960100000000, 0.0331194800000000 ] - [ 0.0000000000000000, 0.0043920100000000, 0.0331194800000000 ] - [ -0.0012511700000000, -0.0007223700000000, 0.0116371600000000 ] - [ 0.0012511700000000, -0.0007223700000000, 0.0116371600000000 ] - [ -0.0004435000000000, -0.0002560600000000, 0.0104203700000000 ] - [ 0.0004435000000000, -0.0002560600000000, 0.0104203700000000 ] - [ 0.0000000000000000, 0.0014447300000000, 0.0116371600000000 ] - [ 0.0006559800000000, -0.0003787300000000, 0.0057394100000000 ] - [ 0.0000000000000000, -0.0001191600000000, 0.0071939300000000 ] - [ -0.0006559800000000, -0.0003787300000000, 0.0057394100000000 ] - [ 0.0000000000000000, 0.0007574600000000, 0.0057394100000000 ] - [ 0.0006352900000000, 0.0003667800000000, 0.0062806200000000 ] - [ -0.0006352900000000, 0.0003667800000000, 0.0062806200000000 ] - [ 0.0001031900000000, 0.0000595800000000, 0.0071939300000000 ] - [ -0.0001031900000000, 0.0000595800000000, 0.0071939300000000 ] - [ 0.0000000000000000, -0.0007335600000000, 0.0062806200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0203479600000000 ] - [ 0.0042388600000000, 0.0021331500000000, -0.0070857700000000 ] - [ -0.0042388600000000, 0.0021331500000000, -0.0070857700000000 ] - [ -0.0039667900000000, 0.0026043800000000, -0.0070857700000000 ] - [ 0.0039667900000000, 0.0026043800000000, -0.0070857700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0079412800000000 ] - [ 0.0002720600000000, -0.0047375300000000, -0.0070857700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0079013200000000 ] - [ -0.0002720600000000, -0.0047375300000000, -0.0070857700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0130105900000000 ] - [ -0.0011451700000000, 0.0004863400000000, -0.0113165600000000 ] - [ 0.0011451700000000, 0.0004863400000000, -0.0113165600000000 ] - [ 0.0001514000000000, -0.0012349200000000, -0.0113165600000000 ] - [ -0.0001514000000000, -0.0012349200000000, -0.0113165600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0096529200000000 ] - [ -0.0009937700000000, 0.0007485800000000, -0.0113165600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0104449800000000 ] - [ 0.0009937700000000, 0.0007485800000000, -0.0113165600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.1065884100000000 ] - [ -0.0024581700000000, -0.0013007600000000, 0.0054404500000000 ] - [ 0.0024581700000000, -0.0013007600000000, 0.0054404500000000 ] - [ 0.0023555800000000, -0.0014784600000000, 0.0054404500000000 ] - [ -0.0023555800000000, -0.0014784600000000, 0.0054404500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027446600000000 ] - [ -0.0001025900000000, 0.0027792200000000, 0.0054404500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027474300000000 ] - [ 0.0001025900000000, 0.0027792200000000, 0.0054404500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009979900000000 ] - [ 0.0003982200000000, -0.0002277500000000, -0.0002915700000000 ] - [ -0.0003982200000000, -0.0002277500000000, -0.0002915700000000 ] - [ -0.0000018800000000, 0.0004587400000000, -0.0002915700000000 ] - [ 0.0000018800000000, 0.0004587400000000, -0.0002915700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000067700000000 ] - [ 0.0003963400000000, -0.0002310000000000, -0.0002915700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000057600000000 ] - [ -0.0003963400000000, -0.0002310000000000, -0.0002915700000000 ] - [ 0.0172425200000000, -0.0099549700000000, -0.0002816800000000 ] - [ 0.0000000000000000, -0.0004778300000000, 0.0002414700000000 ] - [ -0.0172425200000000, -0.0099549700000000, -0.0002816800000000 ] - [ 0.0000000000000000, 0.0199099500000000, -0.0002816800000000 ] - [ 0.0007061300000000, 0.0004076800000000, 0.0006692800000000 ] - [ -0.0007061300000000, 0.0004076800000000, 0.0006692800000000 ] - [ 0.0004138100000000, 0.0002389100000000, 0.0002414700000000 ] - [ -0.0004138100000000, 0.0002389100000000, 0.0002414700000000 ] - [ 0.0000000000000000, -0.0008153600000000, 0.0006692800000000 ] - [ -0.0003679200000000, 0.0002124200000000, -0.0033134300000000 ] - [ 0.0000000000000000, -0.0000055400000000, -0.0027159800000000 ] - [ 0.0003679200000000, 0.0002124200000000, -0.0033134300000000 ] - [ 0.0000000000000000, -0.0004248400000000, -0.0033134300000000 ] - [ -0.0007072800000000, -0.0004083500000000, -0.0032952000000000 ] - [ 0.0007072800000000, -0.0004083500000000, -0.0032952000000000 ] - [ 0.0000048000000000, 0.0000027700000000, -0.0027159800000000 ] - [ -0.0000048000000000, 0.0000027700000000, -0.0027159800000000 ] - [ 0.0000000000000000, 0.0008167000000000, -0.0032952000000000 ] - [ 0.0000000000000000, -0.0036088000000000, -0.0037719600000000 ] - [ 0.0003340700000000, -0.0001928800000000, -0.0006099400000000 ] - [ -0.0003340700000000, -0.0001928800000000, -0.0006099400000000 ] - [ -0.0031253100000000, 0.0018044000000000, -0.0037719600000000 ] - [ 0.0031253100000000, 0.0018044000000000, -0.0037719600000000 ] - [ 0.0000000000000000, 0.0001342900000000, -0.0005556900000000 ] - [ -0.0001163000000000, -0.0000671500000000, -0.0005556900000000 ] - [ 0.0000000000000000, 0.0003857500000000, -0.0006099400000000 ] - [ 0.0001163000000000, -0.0000671500000000, -0.0005556900000000 ] - [ 0.0000000000000000, 0.0036701700000000, -0.0038222100000000 ] - [ -0.0009701700000000, 0.0005601300000000, -0.0009645000000000 ] - [ 0.0009701700000000, 0.0005601300000000, -0.0009645000000000 ] - [ 0.0031784600000000, -0.0018350900000000, -0.0038222100000000 ] - [ -0.0031784600000000, -0.0018350900000000, -0.0038222100000000 ] - [ 0.0000000000000000, -0.0000210700000000, 0.0001270200000000 ] - [ 0.0000182400000000, 0.0000105300000000, 0.0001270200000000 ] - [ 0.0000000000000000, -0.0011202500000000, -0.0009645000000000 ] - [ -0.0000182400000000, 0.0000105300000000, 0.0001270200000000 ] - [ -0.0036303800000000, 0.0020960000000000, -0.0156152500000000 ] - [ 0.0000000000000000, -0.0005192900000000, 0.0071469900000000 ] - [ 0.0036303800000000, 0.0020960000000000, -0.0156152500000000 ] - [ 0.0000000000000000, -0.0041920100000000, -0.0156152500000000 ] - [ 0.0012659600000000, 0.0007309000000000, 0.0059467900000000 ] - [ -0.0012659600000000, 0.0007309000000000, 0.0059467900000000 ] - [ 0.0004497200000000, 0.0002596500000000, 0.0071469900000000 ] - [ -0.0004497200000000, 0.0002596500000000, 0.0071469900000000 ] - [ 0.0000000000000000, -0.0014618000000000, 0.0059467900000000 ] - [ -0.0006658000000000, 0.0003844000000000, 0.0118544200000000 ] - [ 0.0000000000000000, 0.0001241600000000, 0.0103829500000000 ] - [ 0.0006658000000000, 0.0003844000000000, 0.0118544200000000 ] - [ 0.0000000000000000, -0.0007688000000000, 0.0118544200000000 ] - [ -0.0006426200000000, -0.0003710100000000, 0.0113052300000000 ] - [ 0.0006426200000000, -0.0003710100000000, 0.0113052300000000 ] - [ -0.0001075300000000, -0.0000620800000000, 0.0103829500000000 ] - [ 0.0001075300000000, -0.0000620800000000, 0.0103829500000000 ] - [ 0.0000000000000000, 0.0007420300000000, 0.0113052300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0407411100000000 ] - [ -0.0042513500000000, -0.0021392000000000, -0.0105135100000000 ] - [ 0.0042513500000000, -0.0021392000000000, -0.0105135100000000 ] - [ 0.0039782700000000, -0.0026121800000000, -0.0105135100000000 ] - [ -0.0039782700000000, -0.0026121800000000, -0.0105135100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0096432000000000 ] - [ -0.0002730800000000, 0.0047513700000000, -0.0105135100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0096801500000000 ] - [ 0.0002730800000000, 0.0047513700000000, -0.0105135100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0045497100000000 ] - [ 0.0011424100000000, -0.0004756200000000, -0.0062440200000000 ] - [ -0.0011424100000000, -0.0004756200000000, -0.0062440200000000 ] - [ -0.0001593100000000, 0.0012271600000000, -0.0062440200000000 ] - [ 0.0001593100000000, 0.0012271600000000, -0.0062440200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0079069300000000 ] - [ 0.0009831000000000, -0.0007515400000000, -0.0062440200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0071069500000000 ] - [ -0.0009831000000000, -0.0007515400000000, -0.0062440200000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0011298000000000, 0.0000004200000000, 0.0013757800000000 ] - [ 0.0005844700000000, 0.0003083200000000, 0.0017174300000000 ] - [ 0.0005859900000000, -0.0003083700000000, 0.0010511800000000 ] - [ -0.0000174000000000, -0.0004849700000000, 0.0015005500000000 ] - [ -0.0000191300000000, 0.0004823500000000, 0.0012675600000000 ] - [ 0.0000511500000000, -0.0000005200000000, 0.0013840500000000 ] - [ -0.0004898100000000, -0.0003687600000000, 0.0044979500000000 ] - [ 0.0008194900000000, 0.0000004600000000, 0.0013859700000000 ] - [ -0.0004872100000000, 0.0003718600000000, -0.0017135900000000 ] - [ -0.0037435100000000, -0.0000031800000000, 0.0013939800000000 ] - [ 0.0035036400000000, 0.0020124600000000, 0.0004207700000000 ] - [ 0.0034977200000000, -0.0020043700000000, 0.0023454200000000 ] - [ -0.0000621700000000, -0.0006133900000000, 0.0013668500000000 ] - [ -0.0000614300000000, 0.0006122900000000, 0.0014024100000000 ] - [ 0.0000220400000000, 0.0000108700000000, 0.0013867800000000 ] - [ 0.0010021100000000, -0.0027513900000000, -0.0018184200000000 ] - [ 0.0009996600000000, -0.0000021200000000, 0.0013828900000000 ] - [ 0.0010086200000000, 0.0027322600000000, 0.0045727800000000 ] - [ 0.0010021100000000, 0.0027513900000000, 0.0018184200000000 ] - [ 0.0009996600000000, 0.0000021200000000, -0.0013828900000000 ] - [ 0.0010086200000000, -0.0027322600000000, -0.0045727800000000 ] - [ 0.0000220400000000, -0.0000108700000000, -0.0013867800000000 ] - [ -0.0000621700000000, 0.0006133900000000, -0.0013668500000000 ] - [ -0.0000614300000000, -0.0006122900000000, -0.0014024100000000 ] - [ 0.0035036400000000, -0.0020124600000000, -0.0004207700000000 ] - [ 0.0034977200000000, 0.0020043700000000, -0.0023454200000000 ] - [ -0.0037435100000000, 0.0000031800000000, -0.0013939800000000 ] - [ -0.0004898100000000, 0.0003687600000000, -0.0044979500000000 ] - [ 0.0008194900000000, -0.0000004600000000, -0.0013859700000000 ] - [ -0.0004872100000000, -0.0003718600000000, 0.0017135900000000 ] - [ 0.0000511500000000, 0.0000005200000000, -0.0013840500000000 ] - [ -0.0000174000000000, 0.0004849700000000, -0.0015005500000000 ] - [ -0.0000191300000000, -0.0004823500000000, -0.0012675600000000 ] - [ 0.0005844700000000, -0.0003083200000000, -0.0017174300000000 ] - [ 0.0005859900000000, 0.0003083700000000, -0.0010511800000000 ] - [ -0.0011298000000000, -0.0000004200000000, -0.0013757800000000 ] - [ -0.0503815800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0034140600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0033636800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005077400000000, -0.0016603600000000, -0.0004136100000000 ] - [ 0.0005082600000000, 0.0016660500000000, 0.0004163400000000 ] - [ 0.0003352900000000, 0.0000008600000000, 0.0000002100000000 ] - [ 0.0005082600000000, -0.0016660500000000, -0.0004163400000000 ] - [ 0.0003352900000000, -0.0000008600000000, -0.0000002100000000 ] - [ 0.0005077400000000, 0.0016603600000000, 0.0004136100000000 ] - [ -0.0011465000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002922600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002926700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000375200000000, -0.0001906300000000, -0.0000378000000000 ] - [ -0.0000378900000000, 0.0001906400000000, 0.0000370500000000 ] - [ 0.0002015900000000, 0.0000005600000000, 0.0000001300000000 ] - [ -0.0000378900000000, -0.0001906400000000, -0.0000370500000000 ] - [ 0.0002015900000000, -0.0000005600000000, -0.0000001300000000 ] - [ -0.0000375200000000, 0.0001906300000000, 0.0000378000000000 ] - [ 0.0003691400000000, -0.0006596400000000, 0.0075946500000000 ] - [ -0.0006268100000000, -0.0000009900000000, 0.0087861000000000 ] - [ 0.0003643200000000, 0.0006561100000000, 0.0099809500000000 ] - [ -0.0001381700000000, 0.0000019300000000, 0.0087882200000000 ] - [ 0.0000409400000000, -0.0003852300000000, 0.0087200200000000 ] - [ 0.0000404300000000, 0.0003854600000000, 0.0088534000000000 ] - [ -0.0006014400000000, 0.0002683400000000, 0.0083392800000000 ] - [ -0.0006020400000000, -0.0002666000000000, 0.0092342600000000 ] - [ 0.0015062400000000, 0.0000015100000000, 0.0087864600000000 ] - [ 0.0077116000000000, 0.0017852200000000, 0.0057641700000000 ] - [ -0.0028725700000000, -0.0000020400000000, 0.0087937300000000 ] - [ 0.0075266100000000, -0.0016400800000000, 0.0115602200000000 ] - [ 0.0003785100000000, 0.0000022600000000, 0.0087859300000000 ] - [ -0.0002635200000000, -0.0015098900000000, 0.0085579100000000 ] - [ -0.0002608500000000, 0.0015039300000000, 0.0090140900000000 ] - [ -0.0013381600000000, 0.0009938300000000, 0.0091782500000000 ] - [ -0.0013471600000000, -0.0009935100000000, 0.0083945500000000 ] - [ 0.0046537100000000, 0.0000137100000000, 0.0087901900000000 ] - [ 0.0046537100000000, -0.0000137100000000, -0.0087901900000000 ] - [ -0.0013381600000000, -0.0009938300000000, -0.0091782500000000 ] - [ -0.0013471600000000, 0.0009935100000000, -0.0083945500000000 ] - [ -0.0002635200000000, 0.0015098900000000, -0.0085579100000000 ] - [ -0.0002608500000000, -0.0015039300000000, -0.0090140900000000 ] - [ 0.0003785100000000, -0.0000022600000000, -0.0087859300000000 ] - [ 0.0077116000000000, -0.0017852200000000, -0.0057641700000000 ] - [ -0.0028725700000000, 0.0000020400000000, -0.0087937300000000 ] - [ 0.0075266100000000, 0.0016400800000000, -0.0115602200000000 ] - [ 0.0015062400000000, -0.0000015100000000, -0.0087864600000000 ] - [ -0.0006014400000000, -0.0002683400000000, -0.0083392800000000 ] - [ -0.0006020400000000, 0.0002666000000000, -0.0092342600000000 ] - [ 0.0000409400000000, 0.0003852300000000, -0.0087200200000000 ] - [ 0.0000404300000000, -0.0003854600000000, -0.0088534000000000 ] - [ -0.0001381700000000, -0.0000019300000000, -0.0087882200000000 ] - [ 0.0003691400000000, 0.0006596400000000, -0.0075946500000000 ] - [ -0.0006268100000000, 0.0000009900000000, -0.0087861000000000 ] - [ 0.0003643200000000, -0.0006561100000000, -0.0099809500000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0001529100000000, 0.0051399800000000 ] - [ 0.0008483000000000, 0.0004897700000000, 0.0019945100000000 ] - [ -0.0008483000000000, 0.0004897700000000, 0.0019945100000000 ] - [ -0.0005261900000000, -0.0003038000000000, 0.0019405300000000 ] - [ 0.0005261900000000, -0.0003038000000000, 0.0019405300000000 ] - [ 0.0000000000000000, -0.0009795400000000, 0.0019945100000000 ] - [ 0.0001324200000000, -0.0000764500000000, 0.0051399800000000 ] - [ 0.0000000000000000, 0.0006075900000000, 0.0019405300000000 ] - [ -0.0001324200000000, -0.0000764500000000, 0.0051399800000000 ] - [ 0.0000000000000000, -0.0057733700000000, 0.0052048000000000 ] - [ -0.0042460700000000, -0.0024514700000000, 0.0023352000000000 ] - [ 0.0042460700000000, -0.0024514700000000, 0.0023352000000000 ] - [ -0.0000438000000000, -0.0000252900000000, 0.0012543500000000 ] - [ 0.0000438000000000, -0.0000252900000000, 0.0012543500000000 ] - [ 0.0000000000000000, 0.0049029400000000, 0.0023352000000000 ] - [ -0.0049998800000000, 0.0028866800000000, 0.0052048000000000 ] - [ 0.0000000000000000, 0.0000505800000000, 0.0012543500000000 ] - [ 0.0049998800000000, 0.0028866800000000, 0.0052048000000000 ] - [ 0.0050332900000000, 0.0029059700000000, 0.0024563500000000 ] - [ 0.0000000000000000, 0.0000490100000000, -0.0015149900000000 ] - [ -0.0050332900000000, 0.0029059700000000, 0.0024563500000000 ] - [ 0.0000000000000000, 0.0049194700000000, -0.0004329400000000 ] - [ 0.0000424400000000, -0.0000245100000000, -0.0015149900000000 ] - [ -0.0000424400000000, -0.0000245100000000, -0.0015149900000000 ] - [ 0.0042603800000000, -0.0024597300000000, -0.0004329400000000 ] - [ -0.0042603800000000, -0.0024597300000000, -0.0004329400000000 ] - [ 0.0000000000000000, -0.0058119500000000, 0.0024563500000000 ] - [ -0.0001347300000000, -0.0000777900000000, 0.0023697900000000 ] - [ 0.0000000000000000, 0.0006073800000000, -0.0008246600000000 ] - [ 0.0001347300000000, -0.0000777900000000, 0.0023697900000000 ] - [ 0.0000000000000000, -0.0009776400000000, -0.0007715800000000 ] - [ 0.0005260100000000, -0.0003036900000000, -0.0008246600000000 ] - [ -0.0005260100000000, -0.0003036900000000, -0.0008246600000000 ] - [ -0.0008466600000000, 0.0004888200000000, -0.0007715800000000 ] - [ 0.0008466600000000, 0.0004888200000000, -0.0007715800000000 ] - [ 0.0000000000000000, 0.0001555700000000, 0.0023697900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0692378500000000 ] - [ -0.0000065500000000, 0.0004792900000000, -0.0021702900000000 ] - [ 0.0000065500000000, 0.0004792900000000, -0.0021702900000000 ] - [ -0.0004118000000000, -0.0002453200000000, -0.0021702900000000 ] - [ 0.0004118000000000, -0.0002453200000000, -0.0021702900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013128300000000 ] - [ -0.0004183600000000, -0.0002339700000000, -0.0021702900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013126800000000 ] - [ 0.0004183600000000, -0.0002339700000000, -0.0021702900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023068700000000 ] - [ -0.0000001600000000, 0.0000431800000000, 0.0011868300000000 ] - [ 0.0000001600000000, 0.0000431800000000, 0.0011868300000000 ] - [ -0.0000373200000000, -0.0000217300000000, 0.0011868300000000 ] - [ 0.0000373200000000, -0.0000217300000000, 0.0011868300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010978100000000 ] - [ -0.0000374800000000, -0.0000214500000000, 0.0011868300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010975200000000 ] - [ 0.0000374800000000, -0.0000214500000000, 0.0011868300000000 ] - [ -0.0006993300000000, -0.0004037600000000, 0.0054074800000000 ] - [ 0.0000000000000000, -0.0000422300000000, 0.0076700000000000 ] - [ 0.0006993300000000, -0.0004037600000000, 0.0054074800000000 ] - [ 0.0000000000000000, -0.0004019700000000, 0.0068548800000000 ] - [ -0.0000365700000000, 0.0000211200000000, 0.0076700000000000 ] - [ 0.0000365700000000, 0.0000211200000000, 0.0076700000000000 ] - [ -0.0003481200000000, 0.0002009900000000, 0.0068548800000000 ] - [ 0.0003481200000000, 0.0002009900000000, 0.0068548800000000 ] - [ 0.0000000000000000, 0.0008075200000000, 0.0054074800000000 ] - [ -0.0011082600000000, -0.0006398500000000, 0.0144980000000000 ] - [ 0.0000000000000000, -0.0013733000000000, 0.0103052900000000 ] - [ 0.0011082600000000, -0.0006398500000000, 0.0144980000000000 ] - [ 0.0000000000000000, 0.0020567500000000, 0.0104721400000000 ] - [ -0.0011893100000000, 0.0006866500000000, 0.0103052900000000 ] - [ 0.0011893100000000, 0.0006866500000000, 0.0103052900000000 ] - [ 0.0017812000000000, -0.0010283700000000, 0.0104721400000000 ] - [ -0.0017812000000000, -0.0010283700000000, 0.0104721400000000 ] - [ 0.0000000000000000, 0.0012797000000000, 0.0144980000000000 ] - [ 0.0000000000000000, 0.0015620600000000, -0.0028325400000000 ] - [ -0.0017807900000000, -0.0010281400000000, -0.0070877400000000 ] - [ 0.0017807900000000, -0.0010281400000000, -0.0070877400000000 ] - [ 0.0011930500000000, 0.0006888100000000, -0.0072529600000000 ] - [ -0.0011930500000000, 0.0006888100000000, -0.0072529600000000 ] - [ 0.0000000000000000, 0.0020562800000000, -0.0070877400000000 ] - [ 0.0013527900000000, -0.0007810300000000, -0.0028325400000000 ] - [ 0.0000000000000000, -0.0013776200000000, -0.0072529600000000 ] - [ -0.0013527900000000, -0.0007810300000000, -0.0028325400000000 ] - [ 0.0000000000000000, 0.0008050700000000, -0.0121541500000000 ] - [ 0.0003488900000000, 0.0002014300000000, -0.0107129500000000 ] - [ -0.0003488900000000, 0.0002014300000000, -0.0107129500000000 ] - [ 0.0000373100000000, 0.0000215400000000, -0.0098981400000000 ] - [ -0.0000373100000000, 0.0000215400000000, -0.0098981400000000 ] - [ 0.0000000000000000, -0.0004028700000000, -0.0107129500000000 ] - [ 0.0006972100000000, -0.0004025300000000, -0.0121541500000000 ] - [ 0.0000000000000000, -0.0000430800000000, -0.0098981400000000 ] - [ -0.0006972100000000, -0.0004025300000000, -0.0121541500000000 ]- atom: 55 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0215681800000000, -0.0042648000000000, 0.0048749900000000 ] - [ 0.0231297400000000, 0.0052293000000000, -0.0025681200000000 ] - [ -0.0077932400000000, -0.0000189200000000, 0.0013894300000000 ] - [ -0.0032534700000000, 0.0025980900000000, 0.0009375500000000 ] - [ 0.0063697600000000, -0.0000043400000000, 0.0013871200000000 ] - [ -0.0032666500000000, -0.0026359000000000, 0.0018308500000000 ] - [ 0.0141309900000000, -0.0001270800000000, 0.0013642500000000 ] - [ -0.0023089700000000, 0.0050453300000000, 0.0026492700000000 ] - [ -0.0023249100000000, -0.0049855600000000, 0.0001316600000000 ] - [ 0.0003575700000000, 0.0000722100000000, 0.0020441600000000 ] - [ 0.0003576800000000, -0.0000703500000000, 0.0007226500000000 ] - [ -0.0007620000000000, 0.0000005400000000, 0.0013828800000000 ] - [ -0.0000993100000000, 0.0003811300000000, 0.0014887800000000 ] - [ 0.0002478300000000, -0.0000010700000000, 0.0013843100000000 ] - [ -0.0001001700000000, -0.0003835400000000, 0.0012784000000000 ] - [ 0.0004809900000000, -0.0000003800000000, 0.0013808300000000 ] - [ -0.0002080500000000, 0.0002635900000000, 0.0007487600000000 ] - [ -0.0002087700000000, -0.0002633000000000, 0.0020259500000000 ] - [ 0.0250317600000000, 0.0000425000000000, -0.0014180600000000 ] - [ -0.0058192000000000, 0.0014752900000000, 0.0028854900000000 ] - [ -0.0057869000000000, -0.0014601300000000, -0.0056049600000000 ] - [ 0.0003178100000000, 0.0058706000000000, -0.0053425100000000 ] - [ 0.0003079200000000, -0.0058927600000000, 0.0026021000000000 ] - [ -0.0011902600000000, -0.0000116500000000, -0.0013835600000000 ] - [ 0.0011098200000000, 0.0016141700000000, -0.0011216800000000 ] - [ -0.0018711300000000, -0.0000008900000000, -0.0013810000000000 ] - [ 0.0010454100000000, -0.0016292700000000, -0.0016672500000000 ] - [ 0.0026776300000000, -0.0000022500000000, -0.0013854200000000 ] - [ -0.0015162600000000, -0.0006487200000000, -0.0025281200000000 ] - [ -0.0015229700000000, 0.0006572600000000, -0.0002409800000000 ] - [ 0.0003989700000000, 0.0009159200000000, -0.0012297500000000 ] - [ 0.0004005800000000, -0.0009199500000000, -0.0015400900000000 ] - [ -0.0007234900000000, -0.0000027700000000, -0.0013861100000000 ] - [ 0.0007971200000000, 0.0015285600000000, -0.0023727800000000 ] - [ -0.0016971000000000, -0.0000044000000000, -0.0013833200000000 ] - [ 0.0008041200000000, -0.0015309500000000, -0.0003960500000000 ] - [ 0.0003613000000000, -0.0006539400000000, -0.0007006000000000 ] - [ 0.0003725700000000, 0.0006622600000000, 0.0006957400000000 ] - [ -0.0006265500000000, 0.0000016500000000, 0.0000031200000000 ] - [ -0.0006027100000000, 0.0002661200000000, -0.0003457800000000 ] - [ 0.0015067500000000, -0.0000007200000000, 0.0000028800000000 ] - [ -0.0006004400000000, -0.0002690600000000, 0.0003507500000000 ] - [ -0.0001381400000000, -0.0000054300000000, -0.0000039500000000 ] - [ 0.0000416000000000, 0.0003849800000000, 0.0000383600000000 ] - [ 0.0000400800000000, -0.0003856300000000, -0.0000356600000000 ] - [ 0.0075000800000000, 0.0016483000000000, -0.0010929100000000 ] - [ 0.0077380900000000, -0.0017769600000000, 0.0013685700000000 ] - [ -0.0028729100000000, 0.0000050500000000, -0.0000117700000000 ] - [ -0.0013404100000000, 0.0009896300000000, 0.0017732300000000 ] - [ 0.0046535100000000, -0.0000462500000000, -0.0000466500000000 ] - [ -0.0013445000000000, -0.0009976500000000, -0.0017890300000000 ] - [ 0.0003785700000000, -0.0000035800000000, 0.0000068400000000 ] - [ -0.0002591700000000, 0.0015032900000000, 0.0011913500000000 ] - [ -0.0002661200000000, -0.0015106900000000, -0.0011903500000000 ] - [ -0.1551427400000000, -0.0008755900000000, 0.0092285000000000 ] - [ 0.0303429200000000, -0.0052210100000000, 0.0088900700000000 ] - [ 0.0299573700000000, 0.0051606900000000, 0.0086660800000000 ] - [ 0.0010625900000000, -0.0218943900000000, 0.0062546000000000 ] - [ 0.0010692900000000, 0.0220701800000000, 0.0113227600000000 ] - [ 0.0028692300000000, 0.0000209000000000, 0.0087875000000000 ] - [ 0.0009957400000000, -0.0115980000000000, 0.0063480000000000 ] - [ 0.0028697300000000, -0.0000041300000000, 0.0087868000000000 ] - [ 0.0011356400000000, 0.0116023600000000, 0.0111922100000000 ] - [ -0.0007538200000000, -0.0000012900000000, 0.0087883300000000 ] - [ 0.0003633500000000, 0.0000045600000000, 0.0091498400000000 ] - [ 0.0003676400000000, -0.0000095800000000, 0.0084196400000000 ] - [ -0.0001618600000000, -0.0002985600000000, 0.0086775500000000 ] - [ -0.0001642300000000, 0.0002983200000000, 0.0088917300000000 ] - [ 0.0002472300000000, 0.0000019900000000, 0.0087857600000000 ] - [ -0.0001640200000000, -0.0003100800000000, 0.0090445200000000 ] - [ 0.0002474900000000, 0.0000001800000000, 0.0087827000000000 ] - [ -0.0001627000000000, 0.0003143700000000, 0.0085284500000000 ] - [ 0.0039544100000000, -0.0047375900000000, 0.0184214100000000 ] - [ 0.0039035700000000, 0.0047818200000000, -0.0362566000000000 ] - [ 0.0047573300000000, 0.0000102800000000, -0.0087975300000000 ] - [ 0.0018817900000000, -0.0016445100000000, -0.0080652400000000 ] - [ -0.0037508300000000, -0.0000012000000000, -0.0087890600000000 ] - [ 0.0018897700000000, 0.0016704600000000, -0.0095027500000000 ] - [ -0.0043141800000000, 0.0000394800000000, -0.0086944800000000 ] - [ 0.0010019700000000, -0.0027664600000000, -0.0107551600000000 ] - [ 0.0010228300000000, 0.0027345600000000, -0.0068325500000000 ] - [ -0.0009635200000000, -0.0038449700000000, -0.0130560300000000 ] - [ -0.0009682200000000, 0.0038418500000000, -0.0045060500000000 ] - [ 0.0026450600000000, -0.0000026000000000, -0.0087759200000000 ] - [ 0.0002305100000000, -0.0013888000000000, -0.0099276000000000 ] - [ -0.0001638100000000, 0.0000026700000000, -0.0087847200000000 ] - [ 0.0002329200000000, 0.0013980500000000, -0.0076403700000000 ] - [ -0.0076223800000000, 0.0000012700000000, -0.0087874600000000 ] - [ 0.0038285500000000, -0.0023073100000000, -0.0057636000000000 ] - [ 0.0038327600000000, 0.0023051800000000, -0.0118051700000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0068574100000000, -0.0039591300000000, 0.0257164800000000 ] - [ -0.0068574100000000, -0.0039591300000000, 0.0257164800000000 ] - [ 0.0000000000000000, 0.0005709100000000, 0.0030167000000000 ] - [ -0.0004944200000000, -0.0002854500000000, 0.0030167000000000 ] - [ 0.0000000000000000, 0.0005962500000000, 0.0042246000000000 ] - [ 0.0004944200000000, -0.0002854500000000, 0.0030167000000000 ] - [ 0.0000000000000000, 0.0079182500000000, 0.0257164800000000 ] - [ 0.0005163700000000, -0.0002981200000000, 0.0042246000000000 ] - [ -0.0005163700000000, -0.0002981200000000, 0.0042246000000000 ] - [ 0.0001158700000000, -0.0000669000000000, -0.0016734200000000 ] - [ -0.0001158700000000, -0.0000669000000000, -0.0016734200000000 ] - [ 0.0000000000000000, -0.0005298500000000, -0.0002081500000000 ] - [ 0.0004588600000000, 0.0002649300000000, -0.0002081500000000 ] - [ 0.0000000000000000, 0.0004113100000000, -0.0011228000000000 ] - [ -0.0004588600000000, 0.0002649300000000, -0.0002081500000000 ] - [ 0.0000000000000000, 0.0001337900000000, -0.0016734200000000 ] - [ 0.0003562000000000, -0.0002056500000000, -0.0011228000000000 ] - [ -0.0003562000000000, -0.0002056500000000, -0.0011228000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0276463900000000 ] - [ 0.0037032600000000, -0.0019086400000000, 0.0003172300000000 ] - [ -0.0037032600000000, -0.0019086400000000, 0.0003172300000000 ] - [ -0.0001986900000000, 0.0041614400000000, 0.0003172300000000 ] - [ 0.0001986900000000, 0.0041614400000000, 0.0003172300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005387100000000 ] - [ 0.0035045600000000, -0.0022527900000000, 0.0003172300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004984800000000 ] - [ -0.0035045600000000, -0.0022527900000000, 0.0003172300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0056232700000000 ] - [ -0.0021609200000000, -0.0005663600000000, -0.0039207000000000 ] - [ 0.0021609200000000, -0.0005663600000000, -0.0039207000000000 ] - [ 0.0015709500000000, -0.0015882300000000, -0.0039207000000000 ] - [ -0.0015709500000000, -0.0015882300000000, -0.0039207000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022548500000000 ] - [ -0.0005899800000000, 0.0021546000000000, -0.0039207000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030487700000000 ] - [ 0.0005899800000000, 0.0021546000000000, -0.0039207000000000 ] - [ -0.0011879900000000, -0.0006858900000000, -0.0033642100000000 ] - [ 0.0011879900000000, -0.0006858900000000, -0.0033642100000000 ] - [ 0.0000000000000000, -0.0000766800000000, -0.0011141400000000 ] - [ -0.0004471000000000, 0.0002581300000000, -0.0019284300000000 ] - [ 0.0000000000000000, 0.0013717700000000, -0.0033642100000000 ] - [ 0.0004471000000000, 0.0002581300000000, -0.0019284300000000 ] - [ 0.0000000000000000, -0.0005162600000000, -0.0019284300000000 ] - [ 0.0000664100000000, 0.0000383400000000, -0.0011141400000000 ] - [ -0.0000664100000000, 0.0000383400000000, -0.0011141400000000 ] - [ -0.0030126200000000, -0.0017393400000000, 0.0059566600000000 ] - [ 0.0030126200000000, -0.0017393400000000, 0.0059566600000000 ] - [ 0.0000000000000000, -0.0002642500000000, 0.0015307800000000 ] - [ 0.0003924600000000, -0.0002265900000000, 0.0016986100000000 ] - [ 0.0000000000000000, 0.0034786800000000, 0.0059566600000000 ] - [ -0.0003924600000000, -0.0002265900000000, 0.0016986100000000 ] - [ 0.0000000000000000, 0.0004531700000000, 0.0016986100000000 ] - [ 0.0002288500000000, 0.0001321200000000, 0.0015307800000000 ] - [ -0.0002288500000000, 0.0001321200000000, 0.0015307800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1550304900000000 ] - [ -0.0001532400000000, 0.0028817600000000, 0.0004047200000000 ] - [ 0.0001532400000000, 0.0028817600000000, 0.0004047200000000 ] - [ -0.0024190600000000, -0.0015735900000000, 0.0004047200000000 ] - [ 0.0024190600000000, -0.0015735900000000, 0.0004047200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0059573200000000 ] - [ -0.0025723000000000, -0.0013081700000000, 0.0004047200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0059628200000000 ] - [ 0.0025723000000000, -0.0013081700000000, 0.0004047200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0140829100000000 ] - [ -0.0003623300000000, -0.0000877500000000, 0.0122203600000000 ] - [ 0.0003623300000000, -0.0000877500000000, 0.0122203600000000 ] - [ 0.0002571500000000, -0.0002699100000000, 0.0122203600000000 ] - [ -0.0002571500000000, -0.0002699100000000, 0.0122203600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0109917700000000 ] - [ -0.0001051700000000, 0.0003576600000000, 0.0122203600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0109899200000000 ] - [ 0.0001051700000000, 0.0003576600000000, 0.0122203600000000 ] - [ 0.0271334300000000, -0.0156654900000000, 0.0105311800000000 ] - [ -0.0271334300000000, -0.0156654900000000, 0.0105311800000000 ] - [ 0.0000000000000000, -0.0008253300000000, -0.0081930500000000 ] - [ 0.0007147600000000, 0.0004126700000000, -0.0081930500000000 ] - [ 0.0000000000000000, -0.0022594100000000, -0.0087386600000000 ] - [ -0.0007147600000000, 0.0004126700000000, -0.0081930500000000 ] - [ 0.0000000000000000, 0.0313309800000000, 0.0105311800000000 ] - [ -0.0019567100000000, 0.0011297100000000, -0.0087386600000000 ] - [ 0.0019567100000000, 0.0011297100000000, -0.0087386600000000 ] - [ -0.0042952600000000, 0.0024798700000000, -0.0010611900000000 ] - [ 0.0042952600000000, 0.0024798700000000, -0.0010611900000000 ] - [ 0.0000000000000000, 0.0013232800000000, -0.0085590800000000 ] - [ -0.0011459900000000, -0.0006616400000000, -0.0085590800000000 ] - [ 0.0000000000000000, 0.0034974100000000, -0.0043006100000000 ] - [ 0.0011459900000000, -0.0006616400000000, -0.0085590800000000 ] - [ 0.0000000000000000, -0.0049597400000000, -0.0010611900000000 ] - [ 0.0030288500000000, -0.0017487000000000, -0.0043006100000000 ] - [ -0.0030288500000000, -0.0017487000000000, -0.0043006100000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0070637400000000, 0.0040782500000000, -0.0230182200000000 ] - [ 0.0070637400000000, 0.0040782500000000, -0.0230182200000000 ] - [ 0.0000000000000000, -0.0005694400000000, -0.0002567300000000 ] - [ 0.0004931500000000, 0.0002847200000000, -0.0002567300000000 ] - [ 0.0000000000000000, -0.0005884200000000, -0.0014657100000000 ] - [ -0.0004931500000000, 0.0002847200000000, -0.0002567300000000 ] - [ 0.0000000000000000, -0.0081565100000000, -0.0230182200000000 ] - [ -0.0005095900000000, 0.0002942100000000, -0.0014657100000000 ] - [ 0.0005095900000000, 0.0002942100000000, -0.0014657100000000 ] - [ -0.0001083800000000, 0.0000625700000000, 0.0044419000000000 ] - [ 0.0001083800000000, 0.0000625700000000, 0.0044419000000000 ] - [ 0.0000000000000000, 0.0005268900000000, 0.0029812200000000 ] - [ -0.0004563000000000, -0.0002634500000000, 0.0029812200000000 ] - [ 0.0000000000000000, -0.0004172300000000, 0.0039022500000000 ] - [ 0.0004563000000000, -0.0002634500000000, 0.0029812200000000 ] - [ 0.0000000000000000, -0.0001251500000000, 0.0044419000000000 ] - [ -0.0003613300000000, 0.0002086100000000, 0.0039022500000000 ] - [ 0.0003613300000000, 0.0002086100000000, 0.0039022500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0334486800000000 ] - [ -0.0037317100000000, 0.0019192400000000, -0.0031113400000000 ] - [ 0.0037317100000000, 0.0019192400000000, -0.0031113400000000 ] - [ 0.0002037500000000, -0.0041913700000000, -0.0031113400000000 ] - [ -0.0002037500000000, -0.0041913700000000, -0.0031113400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022407200000000 ] - [ -0.0035279600000000, 0.0022721400000000, -0.0031113400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022777100000000 ] - [ 0.0035279600000000, 0.0022721400000000, -0.0031113400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028381100000000 ] - [ 0.0021499500000000, 0.0005721400000000, 0.0011520800000000 ] - [ -0.0021499500000000, 0.0005721400000000, 0.0011520800000000 ] - [ -0.0015704600000000, 0.0015758400000000, 0.0011520800000000 ] - [ 0.0015704600000000, 0.0015758400000000, 0.0011520800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005082900000000 ] - [ 0.0005794800000000, -0.0021479800000000, 0.0011520800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002889100000000 ] - [ -0.0005794800000000, -0.0021479800000000, 0.0011520800000000 ] - [ 0.0011984600000000, 0.0006919300000000, 0.0033815700000000 ] - [ -0.0011984600000000, 0.0006919300000000, 0.0033815700000000 ] - [ 0.0000000000000000, 0.0000769800000000, 0.0011131100000000 ] - [ 0.0004482300000000, -0.0002587800000000, 0.0019293600000000 ] - [ 0.0000000000000000, -0.0013838600000000, 0.0033815700000000 ] - [ -0.0004482300000000, -0.0002587800000000, 0.0019293600000000 ] - [ 0.0000000000000000, 0.0005175700000000, 0.0019293600000000 ] - [ -0.0000666700000000, -0.0000384900000000, 0.0011131100000000 ] - [ 0.0000666700000000, -0.0000384900000000, 0.0011131100000000 ] - [ 0.0027837500000000, 0.0016072000000000, -0.0057079900000000 ] - [ -0.0027837500000000, 0.0016072000000000, -0.0057079900000000 ] - [ 0.0000000000000000, 0.0002623600000000, -0.0015209000000000 ] - [ -0.0003909400000000, 0.0002257100000000, -0.0016842500000000 ] - [ 0.0000000000000000, -0.0032144000000000, -0.0057079900000000 ] - [ 0.0003909400000000, 0.0002257100000000, -0.0016842500000000 ] - [ 0.0000000000000000, -0.0004514200000000, -0.0016842500000000 ] - [ -0.0002272100000000, -0.0001311800000000, -0.0015209000000000 ] - [ 0.0002272100000000, -0.0001311800000000, -0.0015209000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1758800500000000 ] - [ 0.0000701600000000, -0.0028407000000000, 0.0171632100000000 ] - [ -0.0000701600000000, -0.0028407000000000, 0.0171632100000000 ] - [ 0.0024250400000000, 0.0014811100000000, 0.0171632100000000 ] - [ -0.0024250400000000, 0.0014811100000000, 0.0171632100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0116100800000000 ] - [ 0.0024951900000000, 0.0013595900000000, 0.0171632100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0116164300000000 ] - [ -0.0024951900000000, 0.0013595900000000, 0.0171632100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034989000000000 ] - [ 0.0003675800000000, 0.0000865300000000, 0.0053533600000000 ] - [ -0.0003675800000000, 0.0000865300000000, 0.0053533600000000 ] - [ -0.0002587300000000, 0.0002750700000000, 0.0053533600000000 ] - [ 0.0002587300000000, 0.0002750700000000, 0.0053533600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0065825400000000 ] - [ 0.0001088600000000, -0.0003616000000000, 0.0053533600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0065810900000000 ] - [ -0.0001088600000000, -0.0003616000000000, 0.0053533600000000 ] - [ -0.0275452900000000, 0.0159032800000000, -0.0283766300000000 ] - [ 0.0275452900000000, 0.0159032800000000, -0.0283766300000000 ] - [ 0.0000000000000000, 0.0008348900000000, -0.0093680200000000 ] - [ -0.0007230400000000, -0.0004174500000000, -0.0093680200000000 ] - [ 0.0000000000000000, 0.0022693700000000, -0.0088266800000000 ] - [ 0.0007230400000000, -0.0004174500000000, -0.0093680200000000 ] - [ 0.0000000000000000, -0.0318065700000000, -0.0283766300000000 ] - [ 0.0019653300000000, -0.0011346900000000, -0.0088266800000000 ] - [ -0.0019653300000000, -0.0011346900000000, -0.0088266800000000 ] - [ 0.0042553400000000, -0.0024568200000000, -0.0164724300000000 ] - [ -0.0042553400000000, -0.0024568200000000, -0.0164724300000000 ] - [ 0.0000000000000000, -0.0013177200000000, -0.0090293900000000 ] - [ 0.0011411800000000, 0.0006588600000000, -0.0090293900000000 ] - [ 0.0000000000000000, -0.0034804800000000, -0.0132773200000000 ] - [ -0.0011411800000000, 0.0006588600000000, -0.0090293900000000 ] - [ 0.0000000000000000, 0.0049136400000000, -0.0164724300000000 ] - [ -0.0030141900000000, 0.0017402400000000, -0.0132773200000000 ] - [ 0.0030141900000000, 0.0017402400000000, -0.0132773200000000 ]