# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/d958d89d-e6d0-4a24-88e6-4a648631a6f3/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 Th2Ta6O19 / P6_3/mcm (193) / materials id 9275](https://mdr.nims.go.jp/datasets/759a516d-f49d-422f-b9ca-c3c01897d778) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P6_3/mcm" number: 193 Hall_symbol: "-P 6c 2"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 6.364954250000000, 0.000000000000000, 0.000000000000000 ] # a - [ -3.182477130000000, 5.512212070000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 19.990968200000001 ] # c points: - symbol: O # 1 coordinates: [ 0.333333330000000, 0.666666670000000, 0.855620340000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.355620340000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.666666670000000, 0.333333330000000, 0.644379660000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.333333330000000, 0.666666670000000, 0.144379660000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.666666670000000, 0.333333330000000, 0.144379660000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.333333330000000, 0.666666670000000, 0.644379660000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.333333330000000, 0.666666670000000, 0.355620340000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.666666670000000, 0.333333330000000, 0.855620340000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.000000000000000, 0.377211940000000, 0.056707580000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.377211940000000, 0.000000000000000, 0.056707580000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.622788060000000, 0.622788060000000, 0.056707580000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.377211940000000, 0.377211940000000, 0.556707580000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.377211940000000, 0.000000000000000, 0.443292420000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.000000000000000, 0.622788060000000, 0.556707580000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.622788060000000, 0.000000000000000, 0.556707580000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.000000000000000, 0.622788060000000, 0.943292420000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.238894820000000, 0.000000000000000, 0.843040790000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.000000000000000, 0.761105180000000, 0.343040790000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.238894820000000, 0.238894820000000, 0.343040790000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.761105180000000, 0.761105180000000, 0.843040790000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.000000000000000, 0.238894820000000, 0.843040790000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.238894820000000, 0.000000000000000, 0.656959210000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.000000000000000, 0.238894820000000, 0.656959210000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.761105180000000, 0.000000000000000, 0.343040790000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.761105180000000, 0.761105180000000, 0.656959210000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.238894820000000, 0.238894820000000, 0.156959210000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.761105180000000, 0.000000000000000, 0.156959210000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.000000000000000, 0.761105180000000, 0.156959210000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.591569330000000, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.000000000000000, 0.408430670000000, 0.250000000000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.591569330000000, 0.591569330000000, 0.250000000000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.408430670000000, 0.408430670000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.000000000000000, 0.591569330000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.408430670000000, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.622788060000000, 0.000000000000000, 0.943292420000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.000000000000000, 0.377211940000000, 0.443292420000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.622788060000000, 0.622788060000000, 0.443292420000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.377211940000000, 0.377211940000000, 0.943292420000000 ] mass: 15.999400 - symbol: Ta # 39 coordinates: [ 0.000000000000000, 0.349795610000000, 0.156130820000000 ] mass: 180.947880 - symbol: Ta # 40 coordinates: [ 0.349795610000000, 0.000000000000000, 0.156130820000000 ] mass: 180.947880 - symbol: Ta # 41 coordinates: [ 0.650204390000000, 0.650204390000000, 0.156130820000000 ] mass: 180.947880 - symbol: Ta # 42 coordinates: [ 0.349795610000000, 0.349795610000000, 0.656130820000000 ] mass: 180.947880 - symbol: Ta # 43 coordinates: [ 0.349795610000000, 0.000000000000000, 0.343869180000000 ] mass: 180.947880 - symbol: Ta # 44 coordinates: [ 0.000000000000000, 0.650204390000000, 0.656130820000000 ] mass: 180.947880 - symbol: Ta # 45 coordinates: [ 0.650204390000000, 0.000000000000000, 0.656130820000000 ] mass: 180.947880 - symbol: Ta # 46 coordinates: [ 0.000000000000000, 0.650204390000000, 0.843869180000000 ] mass: 180.947880 - symbol: Ta # 47 coordinates: [ 0.349795610000000, 0.349795610000000, 0.843869180000000 ] mass: 180.947880 - symbol: Ta # 48 coordinates: [ 0.650204390000000, 0.650204390000000, 0.343869180000000 ] mass: 180.947880 - symbol: Ta # 49 coordinates: [ 0.000000000000000, 0.349795610000000, 0.343869180000000 ] mass: 180.947880 - symbol: Ta # 50 coordinates: [ 0.650204390000000, 0.000000000000000, 0.843869180000000 ] mass: 180.947880 - symbol: Th # 51 coordinates: [ 0.666666670000000, 0.333333330000000, 0.500000000000000 ] mass: 232.038060 - symbol: Th # 52 coordinates: [ 0.333333330000000, 0.666666670000000, 0.000000000000000 ] mass: 232.038060 - symbol: Th # 53 coordinates: [ 0.333333330000000, 0.666666670000000, 0.500000000000000 ] mass: 232.038060 - symbol: Th # 54 coordinates: [ 0.666666670000000, 0.333333330000000, 0.000000000000000 ] mass: 232.038060 reciprocal_lattice: # without 2pi - [ 0.157110320156661, 0.090707685850256, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.181415371415491, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.050022589701283 ] # c*unit_cell: lattice: - [ 6.364954250000000, 0.000000000000000, 0.000000000000000 ] # a - [ -3.182477130000000, 5.512212070000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 19.990968200000001 ] # c points: - symbol: O # 1 coordinates: [ 0.333333330000000, 0.666666670000000, 0.855620340000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.355620340000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.666666670000000, 0.333333330000000, 0.644379660000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.333333330000000, 0.666666670000000, 0.144379660000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.666666670000000, 0.333333330000000, 0.144379660000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.333333330000000, 0.666666670000000, 0.644379660000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.333333330000000, 0.666666670000000, 0.355620340000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.666666670000000, 0.333333330000000, 0.855620340000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.000000000000000, 0.377211940000000, 0.056707580000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.377211940000000, 0.000000000000000, 0.056707580000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.622788060000000, 0.622788060000000, 0.056707580000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.377211940000000, 0.377211940000000, 0.556707580000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.377211940000000, 0.000000000000000, 0.443292420000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.000000000000000, 0.622788060000000, 0.556707580000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.622788060000000, 0.000000000000000, 0.556707580000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.000000000000000, 0.622788060000000, 0.943292420000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.238894820000000, 0.000000000000000, 0.843040790000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.000000000000000, 0.761105180000000, 0.343040790000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.238894820000000, 0.238894820000000, 0.343040790000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.761105180000000, 0.761105180000000, 0.843040790000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.000000000000000, 0.238894820000000, 0.843040790000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.238894820000000, 0.000000000000000, 0.656959210000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.000000000000000, 0.238894820000000, 0.656959210000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.761105180000000, 0.000000000000000, 0.343040790000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.761105180000000, 0.761105180000000, 0.656959210000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.238894820000000, 0.238894820000000, 0.156959210000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.761105180000000, 0.000000000000000, 0.156959210000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.000000000000000, 0.761105180000000, 0.156959210000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.591569330000000, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.000000000000000, 0.408430670000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.591569330000000, 0.591569330000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.408430670000000, 0.408430670000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.000000000000000, 0.591569330000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.408430670000000, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.622788060000000, 0.000000000000000, 0.943292420000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.000000000000000, 0.377211940000000, 0.443292420000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.622788060000000, 0.622788060000000, 0.443292420000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.377211940000000, 0.377211940000000, 0.943292420000000 ] mass: 15.999400 reduced_to: 38 - symbol: Ta # 39 coordinates: [ 0.000000000000000, 0.349795610000000, 0.156130820000000 ] mass: 180.947880 reduced_to: 39 - symbol: Ta # 40 coordinates: [ 0.349795610000000, 0.000000000000000, 0.156130820000000 ] mass: 180.947880 reduced_to: 40 - symbol: Ta # 41 coordinates: [ 0.650204390000000, 0.650204390000000, 0.156130820000000 ] mass: 180.947880 reduced_to: 41 - symbol: Ta # 42 coordinates: [ 0.349795610000000, 0.349795610000000, 0.656130820000000 ] mass: 180.947880 reduced_to: 42 - symbol: Ta # 43 coordinates: [ 0.349795610000000, 0.000000000000000, 0.343869180000000 ] mass: 180.947880 reduced_to: 43 - symbol: Ta # 44 coordinates: [ 0.000000000000000, 0.650204390000000, 0.656130820000000 ] mass: 180.947880 reduced_to: 44 - symbol: Ta # 45 coordinates: [ 0.650204390000000, 0.000000000000000, 0.656130820000000 ] mass: 180.947880 reduced_to: 45 - symbol: Ta # 46 coordinates: [ 0.000000000000000, 0.650204390000000, 0.843869180000000 ] mass: 180.947880 reduced_to: 46 - symbol: Ta # 47 coordinates: [ 0.349795610000000, 0.349795610000000, 0.843869180000000 ] mass: 180.947880 reduced_to: 47 - symbol: Ta # 48 coordinates: [ 0.650204390000000, 0.650204390000000, 0.343869180000000 ] mass: 180.947880 reduced_to: 48 - symbol: Ta # 49 coordinates: [ 0.000000000000000, 0.349795610000000, 0.343869180000000 ] mass: 180.947880 reduced_to: 49 - symbol: Ta # 50 coordinates: [ 0.650204390000000, 0.000000000000000, 0.843869180000000 ] mass: 180.947880 reduced_to: 50 - symbol: Th # 51 coordinates: [ 0.666666670000000, 0.333333330000000, 0.500000000000000 ] mass: 232.038060 reduced_to: 51 - symbol: Th # 52 coordinates: [ 0.333333330000000, 0.666666670000000, 0.000000000000000 ] mass: 232.038060 reduced_to: 52 - symbol: Th # 53 coordinates: [ 0.333333330000000, 0.666666670000000, 0.500000000000000 ] mass: 232.038060 reduced_to: 53 - symbol: Th # 54 coordinates: [ 0.666666670000000, 0.333333330000000, 0.000000000000000 ] mass: 232.038060 reduced_to: 54supercell: lattice: - [ 6.364954250000000, 0.000000000000000, 0.000000000000000 ] # a - [ -3.182477130000000, 5.512212070000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 19.990968200000001 ] # c points: - symbol: O # 1 coordinates: [ 0.333333330000000, 0.666666670000000, 0.855620340000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.355620340000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.666666670000000, 0.333333330000000, 0.644379660000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.333333330000000, 0.666666670000000, 0.144379660000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.666666670000000, 0.333333330000000, 0.144379660000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.333333330000000, 0.666666670000000, 0.644379660000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.333333330000000, 0.666666670000000, 0.355620340000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.666666670000000, 0.333333330000000, 0.855620340000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.000000000000000, 0.377211940000000, 0.056707580000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.377211940000000, 0.000000000000000, 0.056707580000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.622788060000000, 0.622788060000000, 0.056707580000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.377211940000000, 0.377211940000000, 0.556707580000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.377211940000000, 0.000000000000000, 0.443292420000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.000000000000000, 0.622788060000000, 0.556707580000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.622788060000000, 0.000000000000000, 0.556707580000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.000000000000000, 0.622788060000000, 0.943292420000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.238894820000000, 0.000000000000000, 0.843040790000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.000000000000000, 0.761105180000000, 0.343040790000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.238894820000000, 0.238894820000000, 0.343040790000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.761105180000000, 0.761105180000000, 0.843040790000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.000000000000000, 0.238894820000000, 0.843040790000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.238894820000000, 0.000000000000000, 0.656959210000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.000000000000000, 0.238894820000000, 0.656959210000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.761105180000000, 0.000000000000000, 0.343040790000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.761105180000000, 0.761105180000000, 0.656959210000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.238894820000000, 0.238894820000000, 0.156959210000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.761105180000000, 0.000000000000000, 0.156959210000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.000000000000000, 0.761105180000000, 0.156959210000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.591569330000000, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.000000000000000, 0.408430670000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.591569330000000, 0.591569330000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.408430670000000, 0.408430670000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.000000000000000, 0.591569330000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.408430670000000, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.622788060000000, 0.000000000000000, 0.943292420000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.000000000000000, 0.377211940000000, 0.443292420000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.622788060000000, 0.622788060000000, 0.443292420000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.377211940000000, 0.377211940000000, 0.943292420000000 ] mass: 15.999400 reduced_to: 38 - symbol: Ta # 39 coordinates: [ 0.000000000000000, 0.349795610000000, 0.156130820000000 ] mass: 180.947880 reduced_to: 39 - symbol: Ta # 40 coordinates: [ 0.349795610000000, 0.000000000000000, 0.156130820000000 ] mass: 180.947880 reduced_to: 40 - symbol: Ta # 41 coordinates: [ 0.650204390000000, 0.650204390000000, 0.156130820000000 ] mass: 180.947880 reduced_to: 41 - symbol: Ta # 42 coordinates: [ 0.349795610000000, 0.349795610000000, 0.656130820000000 ] mass: 180.947880 reduced_to: 42 - symbol: Ta # 43 coordinates: [ 0.349795610000000, 0.000000000000000, 0.343869180000000 ] mass: 180.947880 reduced_to: 43 - symbol: Ta # 44 coordinates: [ 0.000000000000000, 0.650204390000000, 0.656130820000000 ] mass: 180.947880 reduced_to: 44 - symbol: Ta # 45 coordinates: [ 0.650204390000000, 0.000000000000000, 0.656130820000000 ] mass: 180.947880 reduced_to: 45 - symbol: Ta # 46 coordinates: [ 0.000000000000000, 0.650204390000000, 0.843869180000000 ] mass: 180.947880 reduced_to: 46 - symbol: Ta # 47 coordinates: [ 0.349795610000000, 0.349795610000000, 0.843869180000000 ] mass: 180.947880 reduced_to: 47 - symbol: Ta # 48 coordinates: [ 0.650204390000000, 0.650204390000000, 0.343869180000000 ] mass: 180.947880 reduced_to: 48 - symbol: Ta # 49 coordinates: [ 0.000000000000000, 0.349795610000000, 0.343869180000000 ] mass: 180.947880 reduced_to: 49 - symbol: Ta # 50 coordinates: [ 0.650204390000000, 0.000000000000000, 0.843869180000000 ] mass: 180.947880 reduced_to: 50 - symbol: Th # 51 coordinates: [ 0.666666670000000, 0.333333330000000, 0.500000000000000 ] mass: 232.038060 reduced_to: 51 - symbol: Th # 52 coordinates: [ 0.333333330000000, 0.666666670000000, 0.000000000000000 ] mass: 232.038060 reduced_to: 52 - symbol: Th # 53 coordinates: [ 0.333333330000000, 0.666666670000000, 0.500000000000000 ] mass: 232.038060 reduced_to: 53 - symbol: Th # 54 coordinates: [ 0.666666670000000, 0.333333330000000, 0.000000000000000 ] mass: 232.038060 reduced_to: 54displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1868711800000000, 0.0003795700000000, 0.0005275900000000 ] - [ 0.0000026000000000, -0.0000019000000000, 0.0001732300000000 ] - [ 0.0007966800000000, 0.0009063500000000, -0.0001779100000000 ] - [ -0.0000512500000000, -0.0000192300000000, -0.0001795500000000 ] - [ 0.0000481000000000, -0.0000017400000000, -0.0001774600000000 ] - [ -0.0013015800000000, 0.0000029900000000, -0.0001782400000000 ] - [ -0.0000098900000000, -0.0000031300000000, 0.0001731300000000 ] - [ 0.0020935200000000, 0.0009200600000000, 0.0001946700000000 ] - [ -0.0000661800000000, 0.0004258100000000, -0.0006030400000000 ] - [ -0.0001244300000000, 0.0000819100000000, -0.0001498400000000 ] - [ 0.0002555600000000, 0.0003694500000000, 0.0000943700000000 ] - [ 0.0001864300000000, 0.0001342200000000, -0.0010422700000000 ] - [ -0.0000727000000000, 0.0000100300000000, 0.0002034500000000 ] - [ -0.0001674900000000, 0.0004605200000000, 0.0010517200000000 ] - [ -0.0000938600000000, -0.0000084800000000, -0.0006716000000000 ] - [ 0.0181175000000000, 0.0054132400000000, -0.0212076900000000 ] - [ 0.0166369300000000, -0.0514617600000000, 0.0036292000000000 ] - [ 0.0000156200000000, -0.0000119100000000, 0.0000560400000000 ] - [ 0.0000042600000000, 0.0000129300000000, 0.0000550100000000 ] - [ 0.0781192600000000, -0.0109302200000000, -0.0056712500000000 ] - [ 0.0119769700000000, 0.0214084100000000, 0.0021340600000000 ] - [ -0.0001080700000000, -0.0021554000000000, -0.0001250200000000 ] - [ -0.0002341900000000, 0.0003001700000000, -0.0000994600000000 ] - [ -0.0000140200000000, 0.0000095300000000, 0.0000545200000000 ] - [ 0.0019318700000000, -0.0008545000000000, 0.0000502200000000 ] - [ -0.0000280300000000, 0.0000227400000000, -0.0000386000000000 ] - [ -0.0000076400000000, 0.0000671200000000, -0.0000573600000000 ] - [ 0.0000414000000000, -0.0000118600000000, -0.0000770900000000 ] - [ -0.0004284600000000, 0.0027201600000000, -0.0070951400000000 ] - [ -0.0000795000000000, 0.0001541500000000, -0.0000674700000000 ] - [ -0.0001131200000000, -0.0001679800000000, 0.0000442900000000 ] - [ 0.0025775900000000, -0.0037830200000000, -0.0100565000000000 ] - [ 0.0070308100000000, 0.0015817100000000, 0.0170147300000000 ] - [ 0.0001931900000000, 0.0000214900000000, -0.0000039700000000 ] - [ -0.0011437300000000, 0.0083275400000000, 0.0088560300000000 ] - [ 0.0000225500000000, -0.0000272900000000, 0.0002238700000000 ] - [ 0.0000360600000000, 0.0000717700000000, 0.0001919800000000 ] - [ 0.0058346400000000, -0.0099192400000000, 0.0132563700000000 ] - [ 0.0001416300000000, -0.0002450900000000, -0.0004064900000000 ] - [ -0.0002656300000000, -0.0000050900000000, -0.0006796400000000 ] - [ 0.0001300200000000, 0.0002082900000000, -0.0008009600000000 ] - [ -0.0001529400000000, 0.0007078200000000, 0.0044557900000000 ] - [ -0.0002651700000000, -0.0000028500000000, 0.0006522900000000 ] - [ -0.0009680000000000, 0.0015588800000000, -0.0094753600000000 ] - [ -0.0005041600000000, 0.0004289300000000, 0.0031349400000000 ] - [ 0.0148468800000000, 0.0276679100000000, 0.0037207900000000 ] - [ 0.0257481900000000, 0.0018696500000000, -0.0020393800000000 ] - [ 0.0001325400000000, 0.0002265300000000, 0.0006425200000000 ] - [ 0.0001313400000000, -0.0002322400000000, 0.0006596600000000 ] - [ 0.0006173700000000, 0.0086348000000000, -0.0003130800000000 ] - [ -0.0002592900000000, -0.0002517600000000, 0.0000085200000000 ] - [ 0.0111551100000000, 0.0001207100000000, 0.0001431800000000 ] - [ 0.0003873100000000, -0.0000319500000000, 0.0000089500000000 ] - [ -0.0058814100000000, -0.0050987500000000, -0.0000167300000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1905374100000000, 0.0003815000000000, 0.0005350600000000 ] - [ -0.0000055400000000, -0.0000020200000000, 0.0001738900000000 ] - [ -0.0008100200000000, -0.0009217200000000, -0.0001784100000000 ] - [ 0.0000508900000000, 0.0000137000000000, -0.0001803800000000 ] - [ -0.0000528100000000, -0.0000014400000000, -0.0001782100000000 ] - [ 0.0013275900000000, 0.0000031700000000, -0.0001787600000000 ] - [ 0.0000079100000000, -0.0000024000000000, 0.0001736600000000 ] - [ -0.0022139100000000, -0.0010463400000000, 0.0001953400000000 ] - [ 0.0001452900000000, -0.0005230900000000, 0.0001679500000000 ] - [ 0.0000113800000000, -0.0001084800000000, -0.0002907400000000 ] - [ -0.0002249900000000, -0.0002599600000000, -0.0005308700000000 ] - [ -0.0002510500000000, -0.0002436900000000, 0.0006138100000000 ] - [ -0.0000542000000000, -0.0000110800000000, 0.0002075100000000 ] - [ 0.0001087700000000, -0.0003650100000000, -0.0015214500000000 ] - [ 0.0002193900000000, 0.0000077200000000, 0.0002481600000000 ] - [ -0.0183545300000000, -0.0054158100000000, 0.0222138000000000 ] - [ -0.0165634500000000, 0.0520996800000000, -0.0035448100000000 ] - [ 0.0000011000000000, -0.0000132500000000, 0.0000553000000000 ] - [ 0.0000105300000000, 0.0000135300000000, 0.0000565700000000 ] - [ -0.0776094200000000, 0.0113655800000000, 0.0056939500000000 ] - [ -0.0121072000000000, -0.0217663600000000, -0.0020530200000000 ] - [ 0.0001395500000000, 0.0021919800000000, 0.0000079700000000 ] - [ 0.0002200000000000, -0.0002841100000000, -0.0000134800000000 ] - [ -0.0000158600000000, -0.0000087300000000, 0.0000565800000000 ] - [ -0.0019880100000000, 0.0008485200000000, -0.0001710500000000 ] - [ 0.0000432200000000, 0.0000032100000000, -0.0000784100000000 ] - [ -0.0000225500000000, -0.0000651500000000, -0.0000590000000000 ] - [ -0.0000282900000000, -0.0000126600000000, -0.0000386100000000 ] - [ 0.0000128000000000, -0.0027996300000000, 0.0072093100000000 ] - [ -0.0001087600000000, 0.0001747400000000, 0.0000492600000000 ] - [ -0.0000769400000000, -0.0001611500000000, -0.0000640300000000 ] - [ -0.0024462800000000, 0.0041324000000000, 0.0101175800000000 ] - [ -0.0068952400000000, -0.0019539700000000, -0.0174664500000000 ] - [ 0.0001846900000000, -0.0000216500000000, -0.0000130300000000 ] - [ 0.0011652400000000, -0.0084929100000000, -0.0085112200000000 ] - [ 0.0000410900000000, -0.0000828600000000, 0.0001866000000000 ] - [ 0.0000276100000000, 0.0000388400000000, 0.0002209600000000 ] - [ -0.0060610300000000, 0.0098371800000000, -0.0127977100000000 ] - [ 0.0001250200000000, -0.0002114400000000, -0.0008542300000000 ] - [ -0.0002652100000000, 0.0000090200000000, -0.0005828800000000 ] - [ 0.0001391900000000, 0.0002473900000000, -0.0004576600000000 ] - [ -0.0001032500000000, -0.0011856000000000, -0.0058025800000000 ] - [ -0.0002646500000000, 0.0000066800000000, 0.0006537300000000 ] - [ 0.0007213100000000, -0.0011244400000000, 0.0084010900000000 ] - [ 0.0010495500000000, -0.0004396300000000, -0.0044894800000000 ] - [ -0.0196227500000000, -0.0275692100000000, -0.0030874500000000 ] - [ -0.0253916100000000, -0.0041628700000000, 0.0030276200000000 ] - [ 0.0001321900000000, 0.0002331200000000, 0.0006631200000000 ] - [ 0.0001347000000000, -0.0002249300000000, 0.0006459000000000 ] - [ 0.0004561900000000, -0.0074885200000000, 0.0014226600000000 ] - [ 0.0002633900000000, 0.0002586300000000, 0.0000089000000000 ] - [ -0.0112713900000000, -0.0001365200000000, 0.0001455300000000 ] - [ -0.0003964800000000, 0.0000289900000000, 0.0000088500000000 ] - [ 0.0059294500000000, 0.0052110600000000, -0.0000167600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0610468500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014854400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014623300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012780000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010720700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018689800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015013100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0044475600000000 ] - [ -0.0004583500000000, -0.0016464600000000, 0.0031183700000000 ] - [ -0.0011967000000000, 0.0012201800000000, 0.0031183700000000 ] - [ 0.0016550500000000, 0.0004262900000000, 0.0031183700000000 ] - [ -0.0004132800000000, -0.0005904300000000, 0.0031192700000000 ] - [ 0.0006782200000000, -0.0000132300000000, 0.0036645100000000 ] - [ -0.0003046900000000, 0.0006531300000000, 0.0031192700000000 ] - [ 0.0007179700000000, -0.0000627000000000, 0.0031192700000000 ] - [ -0.0184526500000000, -0.0023354900000000, 0.0021210500000000 ] - [ 0.0016125600000000, -0.0004232100000000, -0.0050140000000000 ] - [ 0.0000229700000000, -0.0000338100000000, 0.0007887700000000 ] - [ 0.0000177900000000, 0.0000368000000000, 0.0007887700000000 ] - [ -0.0011727900000000, -0.0011849100000000, -0.0050140000000000 ] - [ -0.0004397700000000, 0.0016081300000000, -0.0050140000000000 ] - [ 0.0000804200000000, 0.0003103800000000, 0.0006662700000000 ] - [ -0.0003090100000000, -0.0000855400000000, 0.0006662700000000 ] - [ -0.0000407700000000, -0.0000029900000000, 0.0007887700000000 ] - [ 0.0002285900000000, -0.0002248400000000, 0.0006662700000000 ] - [ -0.0000476100000000, 0.0000006600000000, 0.0006644800000000 ] - [ 0.0000232300000000, -0.0000415600000000, 0.0006644800000000 ] - [ 0.0000243800000000, 0.0000409000000000, 0.0006644800000000 ] - [ -0.0041849500000000, -0.0077887000000000, 0.0047232900000000 ] - [ -0.0000965700000000, 0.0001530000000000, 0.0047927700000000 ] - [ -0.0000842200000000, -0.0001601400000000, 0.0047927700000000 ] - [ -0.0046527400000000, 0.0075186200000000, 0.0047232900000000 ] - [ 0.0088376800000000, 0.0002700800000000, 0.0047232900000000 ] - [ 0.0001807900000000, 0.0000071300000000, 0.0047927700000000 ] - [ 0.0072037300000000, 0.0171482100000000, 0.0021210500000000 ] - [ -0.0003276500000000, 0.0005939700000000, 0.0036645100000000 ] - [ -0.0003505700000000, -0.0005807400000000, 0.0036645100000000 ] - [ 0.0112489200000000, -0.0148127100000000, 0.0021210500000000 ] - [ 0.0002899400000000, -0.0002836300000000, -0.0063886300000000 ] - [ -0.0003906000000000, -0.0001092800000000, -0.0063886300000000 ] - [ 0.0001006600000000, 0.0003929100000000, -0.0063886300000000 ] - [ -0.0002313200000000, -0.0009447500000000, -0.0071015900000000 ] - [ -0.0000829300000000, -0.0000002000000000, -0.0051159600000000 ] - [ -0.0007025200000000, 0.0006727000000000, -0.0071015900000000 ] - [ 0.0009338400000000, 0.0002720500000000, -0.0071015900000000 ] - [ 0.0058739800000000, 0.0013665000000000, 0.0274384000000000 ] - [ -0.0041204200000000, 0.0044037700000000, 0.0274384000000000 ] - [ 0.0000412900000000, 0.0000719200000000, -0.0051159600000000 ] - [ 0.0000416400000000, -0.0000717200000000, -0.0051159600000000 ] - [ -0.0017535700000000, -0.0057702700000000, 0.0274384000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0051255700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0155659300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0052066600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002934900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0607415300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011238100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018119600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016148500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014212000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022060700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011389600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047576100000000 ] - [ 0.0004932900000000, 0.0015002800000000, -0.0035383200000000 ] - [ 0.0010526300000000, -0.0011773400000000, -0.0035383200000000 ] - [ -0.0015459200000000, -0.0003229300000000, -0.0035383200000000 ] - [ 0.0003481600000000, 0.0004744800000000, -0.0035323400000000 ] - [ -0.0008039900000000, 0.0000127300000000, -0.0032171100000000 ] - [ 0.0002368300000000, -0.0005387600000000, -0.0035323400000000 ] - [ -0.0005849900000000, 0.0000642800000000, -0.0035323400000000 ] - [ 0.0181420200000000, 0.0024214300000000, -0.0017177300000000 ] - [ -0.0015322900000000, 0.0004207700000000, 0.0051320200000000 ] - [ -0.0000089200000000, 0.0000096800000000, -0.0006685100000000 ] - [ -0.0000039200000000, -0.0000125600000000, -0.0006685100000000 ] - [ 0.0011305400000000, 0.0011166100000000, 0.0051320200000000 ] - [ 0.0004017500000000, -0.0015373800000000, 0.0051320200000000 ] - [ -0.0000530600000000, -0.0003154600000000, -0.0007752400000000 ] - [ 0.0002997200000000, 0.0001117800000000, -0.0007752400000000 ] - [ 0.0000128400000000, 0.0000028800000000, -0.0006685100000000 ] - [ -0.0002466600000000, 0.0002036800000000, -0.0007752400000000 ] - [ 0.0000606700000000, 0.0000236300000000, -0.0007761100000000 ] - [ -0.0000507900000000, 0.0000407300000000, -0.0007761100000000 ] - [ -0.0000098700000000, -0.0000643500000000, -0.0007761100000000 ] - [ 0.0038496300000000, 0.0079197600000000, -0.0047833500000000 ] - [ -0.0000921400000000, 0.0001726400000000, -0.0047683800000000 ] - [ -0.0001034400000000, -0.0001661100000000, -0.0047683800000000 ] - [ 0.0049339000000000, -0.0072937600000000, -0.0047833500000000 ] - [ -0.0087835300000000, -0.0006260000000000, -0.0047833500000000 ] - [ 0.0001955700000000, -0.0000065300000000, -0.0047683800000000 ] - [ -0.0069739900000000, -0.0169221600000000, -0.0017177300000000 ] - [ 0.0003909700000000, -0.0007026400000000, -0.0032171100000000 ] - [ 0.0004130200000000, 0.0006899100000000, -0.0032171100000000 ] - [ -0.0111680300000000, 0.0145007400000000, -0.0017177300000000 ] - [ -0.0000221200000000, -0.0001698500000000, 0.0050785200000000 ] - [ -0.0001360300000000, 0.0001040800000000, 0.0050785200000000 ] - [ 0.0001581500000000, 0.0000657700000000, 0.0050785200000000 ] - [ -0.0000326800000000, 0.0004918800000000, 0.0057911400000000 ] - [ -0.0004465300000000, 0.0000000200000000, 0.0063718100000000 ] - [ 0.0004423200000000, -0.0002176400000000, 0.0057911400000000 ] - [ -0.0004096400000000, -0.0002742400000000, 0.0057911400000000 ] - [ -0.0058712900000000, -0.0008760800000000, -0.0259394500000000 ] - [ 0.0036943600000000, -0.0046466400000000, -0.0259394500000000 ] - [ 0.0002232800000000, 0.0003867000000000, 0.0063718100000000 ] - [ 0.0002232500000000, -0.0003867100000000, 0.0063718100000000 ] - [ 0.0021769300000000, 0.0055227300000000, -0.0259394500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0051036900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0157712800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0051825000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002106000000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001042600000000, -0.0001129800000000, -0.0003137700000000 ] - [ -0.0001331000000000, 0.0000176900000000, 0.0004350100000000 ] - [ 0.0000049900000000, 0.0000223300000000, 0.0001932900000000 ] - [ 0.0059026600000000, 0.0125054700000000, 0.0110813800000000 ] - [ 0.0181839100000000, 0.0027690600000000, -0.0183256200000000 ] - [ -0.0000070400000000, -0.0000078200000000, 0.0001707100000000 ] - [ 0.0002136900000000, 0.0002002500000000, 0.0005451700000000 ] - [ 0.0002424800000000, 0.0002759100000000, 0.0017515400000000 ] - [ -0.1075997500000000, -0.0331488500000000, -0.0176034400000000 ] - [ 0.0013352000000000, 0.0139428500000000, -0.0038178700000000 ] - [ 0.0127490700000000, -0.0073417400000000, -0.0032293800000000 ] - [ -0.0001235600000000, -0.0002288300000000, 0.0007056600000000 ] - [ 0.0000800100000000, 0.0000607600000000, 0.0010304400000000 ] - [ -0.0001335500000000, 0.0002632100000000, 0.0007792800000000 ] - [ 0.0002555600000000, 0.0000096500000000, 0.0007241700000000 ] - [ -0.0101855100000000, -0.0072238000000000, 0.0050377600000000 ] - [ 0.0001150900000000, -0.0004381300000000, 0.0001661300000000 ] - [ 0.0000235300000000, 0.0000610900000000, 0.0001948400000000 ] - [ 0.0001182900000000, 0.0000186000000000, 0.0002040500000000 ] - [ -0.0000098000000000, 0.0000667100000000, 0.0002911300000000 ] - [ 0.0001853300000000, 0.0002139300000000, 0.0001355700000000 ] - [ 0.0000057600000000, -0.0000260700000000, 0.0001419800000000 ] - [ -0.0000181300000000, 0.0000116300000000, 0.0001410300000000 ] - [ -0.0000548000000000, -0.0005875000000000, 0.0002394600000000 ] - [ 0.0000385200000000, -0.0000194500000000, 0.0001408500000000 ] - [ 0.0093883200000000, -0.0048414700000000, 0.0087741100000000 ] - [ -0.0012709900000000, -0.0010418600000000, -0.0008638900000000 ] - [ 0.0005218900000000, -0.0020271900000000, -0.0019463700000000 ] - [ -0.0002288300000000, 0.0002892000000000, 0.0011473900000000 ] - [ 0.0017006800000000, 0.0015197600000000, 0.0069066700000000 ] - [ 0.0012418900000000, -0.0004874400000000, -0.0006173500000000 ] - [ 0.0004122200000000, 0.0000629600000000, 0.0011836900000000 ] - [ -0.0000522200000000, -0.0000952300000000, 0.0017234200000000 ] - [ 0.0002782600000000, 0.0011256100000000, 0.0003268700000000 ] - [ 0.0000339800000000, 0.0161490700000000, 0.0000400400000000 ] - [ -0.0001441100000000, 0.0003615800000000, 0.0016319400000000 ] - [ 0.0000183200000000, -0.0000954900000000, 0.0009601200000000 ] - [ 0.0173974700000000, -0.0061174300000000, 0.0013083500000000 ] - [ 0.0135663400000000, -0.0009680800000000, -0.0066460500000000 ] - [ -0.0046740200000000, -0.0049513500000000, 0.0027945000000000 ] - [ -0.0109230200000000, 0.0051878600000000, 0.0013673800000000 ] - [ -0.0001679800000000, -0.0002447100000000, -0.0021377600000000 ] - [ -0.0001843800000000, -0.0001595700000000, -0.0004378300000000 ] - [ -0.0001781300000000, 0.0002803300000000, -0.0023615000000000 ] - [ 0.0003145300000000, -0.0000028700000000, -0.0021437800000000 ] - [ 0.0007038100000000, 0.0005529800000000, -0.0019746200000000 ] - [ -0.0014563400000000, 0.0003574800000000, 0.0000132200000000 ] - [ -0.0001512800000000, 0.0005153300000000, 0.0001494000000000 ] - [ 0.0003444400000000, -0.0002441500000000, -0.0019775000000000 ] - [ 0.0005029600000000, -0.0010519000000000, -0.0006948300000000 ] - [ 0.0001290900000000, 0.0000005900000000, -0.0013684500000000 ] - [ 0.0159968300000000, 0.0112260700000000, -0.0062272100000000 ] - [ -0.0000840500000000, -0.0000967600000000, -0.0014077500000000 ] - [ 0.0358797200000000, 0.0034927200000000, 0.0216584100000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001060100000000, 0.0001181300000000, 0.0006384900000000 ] - [ 0.0001443400000000, -0.0000191500000000, -0.0001063900000000 ] - [ -0.0000041600000000, -0.0000166600000000, -0.0005712100000000 ] - [ -0.0059909900000000, -0.0125145300000000, -0.0113357600000000 ] - [ -0.0182873700000000, -0.0028008700000000, 0.0182699000000000 ] - [ 0.0000107200000000, 0.0000105800000000, -0.0005486200000000 ] - [ -0.0002223200000000, -0.0002156300000000, -0.0002159300000000 ] - [ -0.0002386500000000, -0.0002724800000000, -0.0014483000000000 ] - [ 0.1097037000000000, 0.0327084600000000, 0.0191064100000000 ] - [ -0.0015201000000000, -0.0140292100000000, 0.0036300500000000 ] - [ -0.0127196400000000, 0.0075733200000000, 0.0030457400000000 ] - [ 0.0000661900000000, 0.0001287600000000, -0.0011973900000000 ] - [ -0.0002185500000000, -0.0000609000000000, -0.0006601600000000 ] - [ 0.0000772400000000, -0.0001652000000000, -0.0012709600000000 ] - [ -0.0001421000000000, -0.0000096700000000, -0.0012151200000000 ] - [ 0.0101917500000000, 0.0073902900000000, -0.0046375200000000 ] - [ -0.0000897500000000, 0.0004311200000000, -0.0000610900000000 ] - [ -0.0000046200000000, -0.0000928900000000, -0.0000932800000000 ] - [ -0.0001326100000000, 0.0000183200000000, -0.0001026300000000 ] - [ 0.0000027800000000, -0.0000949400000000, -0.0001870400000000 ] - [ -0.0002026700000000, -0.0001931700000000, -0.0000314400000000 ] - [ 0.0000210600000000, 0.0000241300000000, -0.0002719400000000 ] - [ 0.0000038600000000, 0.0000120600000000, -0.0002708200000000 ] - [ 0.0000310700000000, 0.0006145300000000, -0.0001382000000000 ] - [ -0.0000524400000000, -0.0000066800000000, -0.0002698600000000 ] - [ -0.0094632500000000, 0.0048860300000000, -0.0088124500000000 ] - [ 0.0012611900000000, 0.0012368600000000, 0.0007049700000000 ] - [ -0.0004955100000000, 0.0019728800000000, 0.0018348700000000 ] - [ -0.0001486400000000, -0.0002900500000000, -0.0012384200000000 ] - [ -0.0018233500000000, -0.0012514600000000, -0.0073135500000000 ] - [ -0.0014412400000000, 0.0001566500000000, 0.0006275600000000 ] - [ -0.0002257900000000, 0.0002648700000000, -0.0012770100000000 ] - [ 0.0002415100000000, -0.0002299300000000, -0.0018048400000000 ] - [ 0.0001142300000000, -0.0011292600000000, -0.0003024700000000 ] - [ 0.0001633900000000, -0.0162531200000000, 0.0003263700000000 ] - [ 0.0002191700000000, -0.0004902500000000, -0.0012920400000000 ] - [ 0.0000514100000000, 0.0002162600000000, -0.0005883500000000 ] - [ -0.0175505300000000, 0.0060318200000000, -0.0009697200000000 ] - [ -0.0133867000000000, 0.0005723100000000, 0.0055318400000000 ] - [ 0.0041720600000000, 0.0049710700000000, -0.0042590900000000 ] - [ 0.0112190300000000, -0.0048444300000000, -0.0028548900000000 ] - [ -0.0000945400000000, -0.0002134100000000, 0.0009627100000000 ] - [ -0.0003355200000000, 0.0001550900000000, 0.0017718400000000 ] - [ -0.0000839700000000, 0.0001748300000000, 0.0011835700000000 ] - [ 0.0002100500000000, 0.0000024200000000, 0.0009707800000000 ] - [ -0.0009722500000000, -0.0001013100000000, 0.0033350500000000 ] - [ 0.0012081700000000, -0.0008182500000000, 0.0013851100000000 ] - [ 0.0004179300000000, -0.0000639700000000, 0.0011926300000000 ] - [ -0.0000659500000000, -0.0002326900000000, 0.0034804800000000 ] - [ 0.0000167200000000, 0.0010608600000000, 0.0020862200000000 ] - [ -0.0001351400000000, -0.0000030000000000, 0.0014616400000000 ] - [ -0.0157587600000000, -0.0106108500000000, 0.0055913200000000 ] - [ 0.0000888700000000, 0.0001009200000000, 0.0015013900000000 ] - [ -0.0379353200000000, -0.0038085800000000, -0.0232924500000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0003792400000000, -0.0001385800000000, 0.0035179100000000 ] - [ -0.0012976800000000, -0.0002157600000000, 0.0035140700000000 ] - [ 0.0000137300000000, 0.0000122700000000, 0.0032777300000000 ] - [ 0.0130859700000000, 0.0176392900000000, 0.0017011400000000 ] - [ -0.0218190600000000, -0.0025131400000000, 0.0017011400000000 ] - [ -0.0000174900000000, -0.0000057500000000, 0.0032777300000000 ] - [ 0.0008356900000000, 0.0010159500000000, 0.0035140700000000 ] - [ 0.0003096300000000, 0.0002591400000000, 0.0035179100000000 ] - [ -0.0183392500000000, 0.0317645100000000, -0.2042420100000000 ] - [ 0.0068133900000000, -0.0003455000000000, -0.0313112800000000 ] - [ -0.0031074800000000, -0.0060733200000000, -0.0313112800000000 ] - [ -0.0009872900000000, -0.0017307700000000, 0.0088822300000000 ] - [ 0.0015598800000000, -0.0000416400000000, 0.0082643200000000 ] - [ -0.0010606100000000, 0.0018370200000000, 0.0090405500000000 ] - [ 0.0019925400000000, -0.0000103700000000, 0.0088822300000000 ] - [ 0.0047465700000000, -0.0082213100000000, 0.0162692200000000 ] - [ 0.0000421700000000, -0.0003460100000000, 0.0019918400000000 ] - [ -0.0004015400000000, 0.0006954900000000, 0.0019757800000000 ] - [ 0.0029128400000000, -0.0010684800000000, 0.0019680900000000 ] - [ 0.0002785700000000, -0.0002095300000000, 0.0019918400000000 ] - [ -0.0001133100000000, 0.0001962500000000, 0.0021102200000000 ] - [ -0.0000668600000000, -0.0000440700000000, 0.0018714400000000 ] - [ 0.0000200300000000, -0.0000346900000000, 0.0018804600000000 ] - [ -0.0005310900000000, -0.0030568300000000, 0.0019680900000000 ] - [ 0.0000716000000000, 0.0000358700000000, 0.0018714400000000 ] - [ 0.0192985800000000, -0.0084831300000000, 0.0019211000000000 ] - [ -0.0023026800000000, -0.0209546200000000, 0.0019211000000000 ] - [ -0.0014197000000000, 0.0024589900000000, -0.0019366000000000 ] - [ -0.0002450900000000, -0.0000778100000000, 0.0124288900000000 ] - [ -0.0055452000000000, 0.0096045700000000, 0.0518335000000000 ] - [ 0.0009418800000000, 0.0012475700000000, 0.0010923500000000 ] - [ 0.0001899300000000, 0.0001733500000000, 0.0124288900000000 ] - [ 0.0000124100000000, -0.0000214900000000, 0.0133915300000000 ] - [ -0.0015513700000000, -0.0001919100000000, 0.0010923500000000 ] - [ -0.0009524400000000, -0.0007648900000000, 0.0092709800000000 ] - [ -0.0014372900000000, 0.0024894600000000, 0.0116967400000000 ] - [ -0.0007438700000000, -0.0013717200000000, 0.0082643200000000 ] - [ 0.0011386400000000, 0.0004423900000000, 0.0092709800000000 ] - [ 0.0119846100000000, -0.0207579500000000, 0.0814167900000000 ] - [ -0.0014026000000000, 0.0067135600000000, 0.0249149900000000 ] - [ -0.0051128100000000, 0.0045714700000000, 0.0249149900000000 ] - [ -0.0003819800000000, -0.0006219300000000, -0.0157593800000000 ] - [ -0.0008095500000000, 0.0007195400000000, -0.0088211900000000 ] - [ -0.0003718800000000, 0.0006441100000000, -0.0160485000000000 ] - [ 0.0007295900000000, 0.0000198400000000, -0.0157593800000000 ] - [ 0.0001873900000000, -0.0003245600000000, -0.0165640400000000 ] - [ 0.0002010600000000, 0.0002203000000000, -0.0139116100000000 ] - [ -0.0002183600000000, 0.0010608600000000, -0.0088211900000000 ] - [ -0.0010879400000000, 0.0018843800000000, -0.0261214600000000 ] - [ -0.0002913200000000, -0.0000639700000000, -0.0139116100000000 ] - [ 0.0007182700000000, 0.0000906000000000, -0.0135261200000000 ] - [ -0.0006277400000000, -0.0053826400000000, 0.0363614000000000 ] - [ -0.0004376000000000, -0.0005767400000000, -0.0135261200000000 ] - [ 0.0049753800000000, -0.0021476800000000, 0.0363614000000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003903000000000, 0.0001412700000000, -0.0031312700000000 ] - [ 0.0012784000000000, 0.0002110400000000, -0.0031368300000000 ] - [ -0.0000143000000000, -0.0000102300000000, -0.0036011800000000 ] - [ -0.0129682100000000, -0.0174546300000000, -0.0021407700000000 ] - [ 0.0216002600000000, 0.0025034900000000, -0.0021407700000000 ] - [ 0.0000160000000000, 0.0000072700000000, -0.0036011800000000 ] - [ -0.0008219700000000, -0.0010016100000000, -0.0031368300000000 ] - [ -0.0003174900000000, -0.0002673800000000, -0.0031312700000000 ] - [ 0.0183719700000000, -0.0318211800000000, 0.1967143400000000 ] - [ -0.0069146000000000, 0.0003318200000000, 0.0307107800000000 ] - [ 0.0031699400000000, 0.0061541200000000, 0.0307107800000000 ] - [ 0.0009117900000000, 0.0015995200000000, -0.0092338700000000 ] - [ -0.0016860200000000, 0.0000402300000000, -0.0077935500000000 ] - [ 0.0009867200000000, -0.0017090500000000, -0.0093922700000000 ] - [ -0.0018411200000000, 0.0000101300000000, -0.0092338700000000 ] - [ -0.0049331300000000, 0.0085444400000000, -0.0160581900000000 ] - [ -0.0000108700000000, 0.0003612400000000, -0.0018655000000000 ] - [ 0.0004094600000000, -0.0007092000000000, -0.0018495100000000 ] - [ -0.0028503700000000, 0.0010740500000000, -0.0018401100000000 ] - [ -0.0003074100000000, 0.0001900400000000, -0.0018655000000000 ] - [ 0.0000997700000000, -0.0001728100000000, -0.0019756600000000 ] - [ 0.0000933800000000, 0.0000447700000000, -0.0019691600000000 ] - [ -0.0000322500000000, 0.0000558600000000, -0.0019780400000000 ] - [ 0.0004950300000000, 0.0030055200000000, -0.0018401100000000 ] - [ -0.0000854600000000, -0.0000584900000000, -0.0019691600000000 ] - [ -0.0189582000000000, 0.0083769500000000, -0.0020690900000000 ] - [ 0.0022244500000000, 0.0206067500000000, -0.0020690900000000 ] - [ 0.0014372000000000, -0.0024893100000000, 0.0017504100000000 ] - [ -0.0001269200000000, 0.0000781000000000, -0.0123237800000000 ] - [ 0.0052435900000000, -0.0090821700000000, -0.0509604200000000 ] - [ -0.0011225600000000, -0.0015616700000000, -0.0011521800000000 ] - [ -0.0000041700000000, 0.0001489600000000, -0.0123237800000000 ] - [ 0.0001769000000000, -0.0003064100000000, -0.0133159200000000 ] - [ 0.0019137300000000, 0.0001913200000000, -0.0011521800000000 ] - [ 0.0010463600000000, 0.0007163800000000, -0.0087608800000000 ] - [ 0.0014888300000000, -0.0025787300000000, -0.0111727500000000 ] - [ 0.0008081700000000, 0.0014802500000000, -0.0077935500000000 ] - [ -0.0011435800000000, -0.0005479800000000, -0.0087608800000000 ] - [ -0.0111784300000000, 0.0193616100000000, -0.0753818500000000 ] - [ 0.0008317200000000, -0.0066032500000000, -0.0259588600000000 ] - [ 0.0053027200000000, -0.0040219100000000, -0.0259588600000000 ] - [ 0.0001139200000000, 0.0001573700000000, 0.0143364100000000 ] - [ 0.0002662300000000, -0.0007078000000000, 0.0101110000000000 ] - [ 0.0001057800000000, -0.0001832200000000, 0.0146357300000000 ] - [ -0.0001932500000000, -0.0000199700000000, 0.0143364100000000 ] - [ -0.0004544500000000, 0.0007871300000000, 0.0178202700000000 ] - [ -0.0004612000000000, -0.0006829000000000, 0.0150679800000000 ] - [ 0.0004798600000000, -0.0005844600000000, 0.0101110000000000 ] - [ 0.0013355000000000, -0.0023131500000000, 0.0271330900000000 ] - [ 0.0008220100000000, 0.0000579600000000, 0.0150679800000000 ] - [ -0.0006965400000000, -0.0000833500000000, 0.0134168400000000 ] - [ 0.0011237300000000, 0.0060965900000000, -0.0366506100000000 ] - [ 0.0004204500000000, 0.0005615400000000, 0.0134168400000000 ] - [ -0.0058416700000000, 0.0020751200000000, -0.0366506100000000 ]- atom: 17 displacement: [ -0.0050000000089025, 0.0086602540327045, 0.0000000000000000 ] forces: - [ -0.0529752400000000, 0.0591121200000000, -0.0009176800000000 ] - [ 0.0000058100000000, -0.0000013300000000, 0.0001635900000000 ] - [ 0.0019519700000000, 0.0008552800000000, 0.0001272000000000 ] - [ -0.0000614700000000, 0.0000028600000000, -0.0001581500000000 ] - [ 0.0000512900000000, -0.0000127100000000, -0.0002296100000000 ] - [ -0.0018202400000000, 0.0012244700000000, -0.0004155900000000 ] - [ -0.0000094300000000, 0.0000009700000000, 0.0001586400000000 ] - [ 0.0364787300000000, 0.0347485400000000, -0.0002173800000000 ] - [ -0.0003983400000000, 0.0001094500000000, -0.0005330800000000 ] - [ 0.0000162900000000, 0.0002683500000000, -0.0003265800000000 ] - [ 0.0003583100000000, 0.0002368000000000, 0.0000816900000000 ] - [ 0.0005151500000000, 0.0004076600000000, -0.0031161300000000 ] - [ -0.0000566800000000, -0.0000098000000000, 0.0001829100000000 ] - [ -0.0005292600000000, 0.0004149000000000, 0.0021525700000000 ] - [ 0.0001229500000000, 0.0000506900000000, 0.0002063700000000 ] - [ -0.0003959800000000, 0.0106104000000000, -0.0166029500000000 ] - [ 0.0366848400000000, -0.2332064100000000, -0.0005163100000000 ] - [ 0.0000150700000000, -0.0000120500000000, 0.0000504900000000 ] - [ 0.0000036700000000, 0.0000103200000000, 0.0000459000000000 ] - [ 0.0149652900000000, 0.0001466000000000, -0.0002272400000000 ] - [ -0.0445534400000000, 0.0084463200000000, 0.0007336600000000 ] - [ 0.0002272900000000, -0.0051822900000000, -0.0000789800000000 ] - [ -0.0024490500000000, -0.0005114500000000, -0.0000948500000000 ] - [ -0.0000155200000000, 0.0000089700000000, 0.0000481200000000 ] - [ 0.0016385500000000, 0.0000742300000000, -0.0000890600000000 ] - [ -0.0000079900000000, 0.0000127100000000, -0.0000418700000000 ] - [ -0.0000181800000000, 0.0000088000000000, -0.0000619700000000 ] - [ 0.0000322900000000, -0.0000076600000000, -0.0000819100000000 ] - [ -0.0040945700000000, -0.0007923900000000, 0.0036302800000000 ] - [ -0.0000820900000000, 0.0001509500000000, -0.0000942000000000 ] - [ -0.0001095500000000, -0.0001836200000000, 0.0000002700000000 ] - [ 0.0006227100000000, 0.0073464900000000, -0.0290434000000000 ] - [ 0.0006146900000000, 0.0068766700000000, 0.0251457500000000 ] - [ 0.0001831400000000, 0.0000246500000000, -0.0000650300000000 ] - [ -0.0019538000000000, -0.0005618300000000, -0.0012462500000000 ] - [ 0.0000127300000000, -0.0000096800000000, 0.0002080400000000 ] - [ 0.0000572800000000, 0.0001221800000000, 0.0001303300000000 ] - [ 0.0016133300000000, 0.0117545500000000, 0.0195051200000000 ] - [ 0.0001633800000000, -0.0001992400000000, -0.0004817300000000 ] - [ -0.0002647400000000, -0.0000312900000000, -0.0005458700000000 ] - [ 0.0001100600000000, 0.0002659900000000, -0.0007079800000000 ] - [ 0.0004670600000000, 0.0035048000000000, 0.0161426200000000 ] - [ -0.0002673700000000, 0.0000009200000000, 0.0007048000000000 ] - [ -0.0005742100000000, 0.0037794700000000, -0.0152289700000000 ] - [ 0.0008631200000000, 0.0005676000000000, -0.0026939100000000 ] - [ -0.0148376100000000, 0.0348756100000000, 0.0037581700000000 ] - [ -0.0022190800000000, 0.0450510900000000, -0.0029930800000000 ] - [ 0.0001319700000000, 0.0002311000000000, 0.0007147000000000 ] - [ 0.0001361300000000, -0.0002308700000000, 0.0006955900000000 ] - [ 0.0300736200000000, 0.0167541100000000, 0.0008474900000000 ] - [ -0.0009215400000000, -0.0002498600000000, -0.0000211900000000 ] - [ 0.0078841300000000, -0.0043777000000000, 0.0018358800000000 ] - [ 0.0008127000000000, -0.0005001600000000, 0.0001286700000000 ] - [ -0.0081981500000000, -0.0019762900000000, -0.0005678800000000 ]- atom: 17 displacement: [ 0.0050000000089025, -0.0086602540327045, 0.0000000000000000 ] forces: - [ 0.0533120800000000, -0.0593371300000000, 0.0013866100000000 ] - [ -0.0000091000000000, -0.0000028600000000, 0.0001854900000000 ] - [ -0.0019363200000000, -0.0008658100000000, -0.0004824000000000 ] - [ 0.0000608800000000, -0.0000076000000000, -0.0001929100000000 ] - [ -0.0000555500000000, 0.0000078100000000, -0.0001220200000000 ] - [ 0.0018207500000000, -0.0011997600000000, 0.0000588500000000 ] - [ 0.0000075500000000, -0.0000064200000000, 0.0001906200000000 ] - [ -0.0365975500000000, -0.0352529900000000, 0.0006254400000000 ] - [ 0.0004583800000000, -0.0002182500000000, 0.0001052800000000 ] - [ -0.0001424100000000, -0.0002715000000000, -0.0001139900000000 ] - [ -0.0002920400000000, -0.0001244200000000, -0.0005035200000000 ] - [ -0.0005696500000000, -0.0005096300000000, 0.0026445200000000 ] - [ -0.0000673000000000, 0.0000089100000000, 0.0002363800000000 ] - [ 0.0004695400000000, -0.0003076100000000, -0.0025854600000000 ] - [ 0.0000052600000000, -0.0000512100000000, -0.0006060000000000 ] - [ 0.0003122700000000, -0.0104090800000000, 0.0171235100000000 ] - [ -0.0351206100000000, 0.2315383800000000, 0.0003748400000000 ] - [ 0.0000020600000000, -0.0000130800000000, 0.0000615300000000 ] - [ 0.0000109900000000, 0.0000150200000000, 0.0000662100000000 ] - [ -0.0146771400000000, 0.0001020900000000, 0.0003362200000000 ] - [ 0.0437417400000000, -0.0083033300000000, -0.0006039100000000 ] - [ -0.0001922700000000, 0.0051538400000000, -0.0000159900000000 ] - [ 0.0023946400000000, 0.0005076400000000, -0.0000120200000000 ] - [ -0.0000135100000000, -0.0000083500000000, 0.0000634600000000 ] - [ -0.0016660700000000, -0.0000755700000000, -0.0000170400000000 ] - [ 0.0000233800000000, 0.0000121300000000, -0.0000717900000000 ] - [ -0.0000118500000000, -0.0000074700000000, -0.0000518100000000 ] - [ -0.0000166500000000, -0.0000155800000000, -0.0000315500000000 ] - [ 0.0035895800000000, 0.0007958200000000, -0.0034815700000000 ] - [ -0.0001058500000000, 0.0001775900000000, 0.0000872200000000 ] - [ -0.0000799900000000, -0.0001460300000000, -0.0000073800000000 ] - [ -0.0003931200000000, -0.0070396400000000, 0.0285360000000000 ] - [ -0.0004402200000000, -0.0071483400000000, -0.0253182700000000 ] - [ 0.0001944200000000, -0.0000242600000000, 0.0000576100000000 ] - [ 0.0020210300000000, 0.0005560200000000, 0.0016113000000000 ] - [ 0.0000495800000000, -0.0000979700000000, 0.0002116800000000 ] - [ 0.0000063800000000, -0.0000127800000000, 0.0002892800000000 ] - [ -0.0016272400000000, -0.0118830000000000, -0.0187465600000000 ] - [ 0.0001051800000000, -0.0002571600000000, -0.0007926100000000 ] - [ -0.0002657300000000, 0.0000328200000000, -0.0007229600000000 ] - [ 0.0001562500000000, 0.0001908600000000, -0.0005676000000000 ] - [ -0.0007163400000000, -0.0038982500000000, -0.0172452800000000 ] - [ -0.0002618300000000, 0.0000019600000000, 0.0005893600000000 ] - [ 0.0003185100000000, -0.0033536300000000, 0.0139495300000000 ] - [ -0.0003106200000000, -0.0005616100000000, 0.0012694600000000 ] - [ 0.0133924900000000, -0.0392052200000000, -0.0024670800000000 ] - [ 0.0011869000000000, -0.0389509800000000, 0.0043838200000000 ] - [ 0.0001330900000000, 0.0002280700000000, 0.0005774900000000 ] - [ 0.0001306800000000, -0.0002266700000000, 0.0005962700000000 ] - [ -0.0287543100000000, -0.0165824800000000, 0.0004488500000000 ] - [ 0.0009107300000000, 0.0002552100000000, 0.0000261300000000 ] - [ -0.0078267400000000, 0.0042616100000000, -0.0018064900000000 ] - [ -0.0008094100000000, 0.0004855700000000, -0.0001220400000000 ] - [ 0.0081450500000000, 0.0020443400000000, 0.0005952400000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0035882000000000, -0.0044805200000000, -0.0049220500000000 ] - [ -0.0000011100000000, 0.0000009700000000, 0.0009075200000000 ] - [ 0.0000674600000000, 0.0000880600000000, 0.0005435600000000 ] - [ -0.0000008600000000, -0.0000237300000000, 0.0005413700000000 ] - [ -0.0000008600000000, 0.0000237300000000, 0.0005413700000000 ] - [ 0.0000674600000000, -0.0000880600000000, 0.0005435600000000 ] - [ -0.0000011100000000, -0.0000009700000000, 0.0009075200000000 ] - [ 0.0035882000000000, 0.0044805200000000, -0.0049220500000000 ] - [ 0.0001481400000000, -0.0004017300000000, 0.0017241500000000 ] - [ -0.0002360100000000, 0.0000000000000000, 0.0018348800000000 ] - [ 0.0001481400000000, 0.0004017300000000, 0.0017241500000000 ] - [ -0.0002230500000000, -0.0003469800000000, 0.0016903300000000 ] - [ 0.0003419500000000, 0.0000000000000000, 0.0021411700000000 ] - [ -0.0002230500000000, 0.0003469800000000, 0.0016903300000000 ] - [ 0.0003575700000000, 0.0000000000000000, 0.0017010400000000 ] - [ -0.0008284500000000, -0.0097198700000000, 0.0022189200000000 ] - [ 0.0007801500000000, 0.0000000000000000, -0.0428038100000000 ] - [ 0.0000127100000000, -0.0000269700000000, 0.0004667600000000 ] - [ 0.0000127100000000, 0.0000269700000000, 0.0004667600000000 ] - [ 0.0007090500000000, 0.0000591800000000, -0.0057403400000000 ] - [ 0.0007090500000000, -0.0000591800000000, -0.0057403400000000 ] - [ -0.0000496800000000, 0.0000000000000000, 0.0004714600000000 ] - [ 0.0000352000000000, -0.0000541700000000, 0.0004482900000000 ] - [ -0.0000297500000000, 0.0000000000000000, 0.0004663100000000 ] - [ 0.0000352000000000, 0.0000541700000000, 0.0004482900000000 ] - [ -0.0000184300000000, 0.0000145700000000, 0.0003477800000000 ] - [ -0.0000036100000000, 0.0000000000000000, 0.0003436600000000 ] - [ -0.0000184300000000, -0.0000145700000000, 0.0003477800000000 ] - [ -0.0064619000000000, 0.0000000000000000, -0.0002860700000000 ] - [ -0.0000954800000000, 0.0001628100000000, 0.0026622400000000 ] - [ -0.0000954800000000, -0.0001628100000000, 0.0026622400000000 ] - [ 0.0013375200000000, -0.0071438800000000, 0.0002510400000000 ] - [ 0.0013375200000000, 0.0071438800000000, 0.0002510400000000 ] - [ 0.0001963200000000, 0.0000000000000000, 0.0026975800000000 ] - [ 0.0038837500000000, 0.0000000000000000, -0.0016411100000000 ] - [ -0.0001720800000000, 0.0002966600000000, 0.0021313700000000 ] - [ -0.0001720800000000, -0.0002966600000000, 0.0021313700000000 ] - [ -0.0008284500000000, 0.0097198700000000, 0.0022189200000000 ] - [ 0.0002041100000000, -0.0003189600000000, -0.0038053400000000 ] - [ -0.0003763400000000, 0.0000000000000000, -0.0039447100000000 ] - [ 0.0002041100000000, 0.0003189600000000, -0.0038053400000000 ] - [ -0.0003340700000000, -0.0000657700000000, -0.0047024800000000 ] - [ -0.0001616900000000, 0.0000000000000000, -0.0025751800000000 ] - [ -0.0003340700000000, 0.0000657700000000, -0.0047024800000000 ] - [ 0.0004811900000000, 0.0000000000000000, -0.0032550700000000 ] - [ -0.0021342600000000, -0.0028250700000000, 0.0261766000000000 ] - [ -0.0021342600000000, 0.0028250700000000, 0.0261766000000000 ] - [ 0.0000840100000000, 0.0001408900000000, -0.0025506000000000 ] - [ 0.0000840100000000, -0.0001408900000000, -0.0025506000000000 ] - [ -0.0008719200000000, 0.0000000000000000, 0.0186041600000000 ] - [ 0.0000129400000000, 0.0000008900000000, -0.0028891500000000 ] - [ -0.0013165600000000, 0.0001411800000000, -0.0023771300000000 ] - [ 0.0000129400000000, -0.0000008900000000, -0.0028891500000000 ] - [ -0.0013165600000000, -0.0001411800000000, -0.0023771300000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0035857000000000, 0.0044974600000000, 0.0052236300000000 ] - [ -0.0000024900000000, -0.0000003300000000, -0.0005495000000000 ] - [ -0.0000661700000000, -0.0000893400000000, -0.0008975900000000 ] - [ -0.0000015000000000, 0.0000217200000000, -0.0008997200000000 ] - [ -0.0000015000000000, -0.0000217200000000, -0.0008997200000000 ] - [ -0.0000661700000000, 0.0000893400000000, -0.0008975900000000 ] - [ -0.0000024900000000, 0.0000003300000000, -0.0005495000000000 ] - [ -0.0035857000000000, -0.0044974600000000, 0.0052236300000000 ] - [ -0.0000797800000000, 0.0002830900000000, -0.0021348300000000 ] - [ 0.0001000700000000, 0.0000000000000000, -0.0022529800000000 ] - [ -0.0000797800000000, -0.0002830900000000, -0.0021348300000000 ] - [ 0.0001554500000000, 0.0002267800000000, -0.0021164100000000 ] - [ -0.0004791600000000, 0.0000000000000000, -0.0017217400000000 ] - [ 0.0001554500000000, -0.0002267800000000, -0.0021164100000000 ] - [ -0.0002204800000000, 0.0000000000000000, -0.0021222400000000 ] - [ 0.0007413900000000, 0.0096803600000000, -0.0017719300000000 ] - [ -0.0009852000000000, 0.0000000000000000, 0.0430062800000000 ] - [ 0.0000023500000000, 0.0000013100000000, -0.0003471500000000 ] - [ 0.0000023500000000, -0.0000013100000000, -0.0003471500000000 ] - [ -0.0006296900000000, -0.0000639100000000, 0.0058582800000000 ] - [ -0.0006296900000000, 0.0000639100000000, 0.0058582800000000 ] - [ 0.0000789200000000, 0.0000000000000000, -0.0005741700000000 ] - [ -0.0000492800000000, 0.0000790700000000, -0.0005655200000000 ] - [ -0.0000008100000000, 0.0000000000000000, -0.0003463300000000 ] - [ -0.0000492800000000, -0.0000790700000000, -0.0005655200000000 ] - [ 0.0000331900000000, 0.0000111300000000, -0.0004683000000000 ] - [ -0.0000262100000000, 0.0000000000000000, -0.0004645600000000 ] - [ 0.0000331900000000, -0.0000111300000000, -0.0004683000000000 ] - [ 0.0061601000000000, 0.0000000000000000, 0.0002898000000000 ] - [ -0.0000924700000000, 0.0001642500000000, -0.0026625400000000 ] - [ -0.0000924700000000, -0.0001642500000000, -0.0026625400000000 ] - [ -0.0011580700000000, 0.0075652800000000, -0.0002585800000000 ] - [ -0.0011580700000000, -0.0075652800000000, -0.0002585800000000 ] - [ 0.0001780000000000, 0.0000000000000000, -0.0026963000000000 ] - [ -0.0036817300000000, 0.0000000000000000, 0.0020436900000000 ] - [ 0.0002403800000000, -0.0004147400000000, -0.0017139700000000 ] - [ 0.0002403800000000, 0.0004147400000000, -0.0017139700000000 ] - [ 0.0007413900000000, -0.0096803600000000, -0.0017719300000000 ] - [ 0.0000624200000000, -0.0001381200000000, 0.0025079600000000 ] - [ -0.0001537500000000, 0.0000000000000000, 0.0026463400000000 ] - [ 0.0000624200000000, 0.0001381200000000, 0.0025079600000000 ] - [ 0.0000669100000000, -0.0003829500000000, 0.0034107900000000 ] - [ -0.0003677000000000, 0.0000000000000000, 0.0038702800000000 ] - [ 0.0000669100000000, 0.0003829500000000, 0.0034107900000000 ] - [ 0.0000432400000000, 0.0000000000000000, 0.0019498800000000 ] - [ 0.0018847000000000, 0.0040267700000000, -0.0249043300000000 ] - [ 0.0018847000000000, -0.0040267700000000, -0.0249043300000000 ] - [ 0.0001826100000000, 0.0003157300000000, 0.0038452700000000 ] - [ 0.0001826100000000, -0.0003157300000000, 0.0038452700000000 ] - [ 0.0013614600000000, 0.0000000000000000, -0.0172911900000000 ] - [ -0.0000122100000000, 0.0000010700000000, 0.0028825600000000 ] - [ 0.0013045800000000, -0.0001317300000000, 0.0023934900000000 ] - [ -0.0000122100000000, -0.0000010700000000, 0.0028825600000000 ] - [ 0.0013045800000000, 0.0001317300000000, 0.0023934900000000 ]- atom: 29 displacement: [ -0.0050000000089025, 0.0086602540327045, 0.0000000000000000 ] forces: - [ 0.0024910900000000, 0.0043406600000000, -0.0045855200000000 ] - [ 0.0000150600000000, -0.0000134500000000, 0.0001673500000000 ] - [ -0.0022853800000000, 0.0067556200000000, -0.0090554400000000 ] - [ -0.0000209600000000, 0.0000023400000000, -0.0001792500000000 ] - [ 0.0000150600000000, -0.0000134500000000, -0.0001673500000000 ] - [ 0.0024910900000000, 0.0043406600000000, 0.0045855200000000 ] - [ -0.0000209600000000, 0.0000023400000000, 0.0001792500000000 ] - [ -0.0022853800000000, 0.0067556200000000, 0.0090554400000000 ] - [ 0.0003035500000000, 0.0000722500000000, -0.0002481900000000 ] - [ 0.0000683900000000, -0.0000940700000000, -0.0002978400000000 ] - [ -0.0001962900000000, 0.0002922500000000, -0.0001151400000000 ] - [ -0.0010510800000000, 0.0009063100000000, -0.0012626400000000 ] - [ 0.0000683900000000, -0.0000940700000000, 0.0002978400000000 ] - [ 0.0009078800000000, 0.0006125700000000, -0.0009349900000000 ] - [ 0.0004239300000000, 0.0022070600000000, 0.0052758700000000 ] - [ 0.0009078800000000, 0.0006125700000000, 0.0009349900000000 ] - [ -0.0038287400000000, -0.0008018900000000, 0.0032222600000000 ] - [ 0.0000203200000000, -0.0000020100000000, 0.0000597300000000 ] - [ 0.0000138500000000, 0.0000057000000000, 0.0000569100000000 ] - [ -0.0063122700000000, 0.0032193200000000, -0.0068830700000000 ] - [ 0.0005004700000000, -0.0008978100000000, 0.0013050500000000 ] - [ -0.0038287400000000, -0.0008018900000000, -0.0032222600000000 ] - [ 0.0005004700000000, -0.0008978100000000, -0.0013050500000000 ] - [ -0.0000200300000000, 0.0000247500000000, 0.0000628300000000 ] - [ -0.0063122700000000, 0.0032193200000000, 0.0068830700000000 ] - [ 0.0000138500000000, 0.0000057000000000, -0.0000569100000000 ] - [ -0.0000200300000000, 0.0000247500000000, -0.0000628300000000 ] - [ 0.0000203200000000, -0.0000020100000000, -0.0000597300000000 ] - [ 0.0301176200000000, -0.0340132500000000, 0.0000000000000000 ] - [ -0.0000775300000000, 0.0001717400000000, 0.0000000000000000 ] - [ -0.0001089400000000, -0.0001619500000000, 0.0000000000000000 ] - [ -0.0014219800000000, 0.0026753200000000, 0.0000000000000000 ] - [ -0.0001491700000000, 0.0017173600000000, 0.0000000000000000 ] - [ 0.0001772100000000, -0.0000094200000000, 0.0000000000000000 ] - [ 0.0004239300000000, 0.0022070600000000, -0.0052758700000000 ] - [ 0.0003035500000000, 0.0000722500000000, 0.0002481900000000 ] - [ -0.0001962900000000, 0.0002922500000000, 0.0001151400000000 ] - [ -0.0010510800000000, 0.0009063100000000, 0.0012626400000000 ] - [ 0.0001173100000000, -0.0002275200000000, -0.0006210700000000 ] - [ -0.0002599500000000, 0.0000076500000000, -0.0005975100000000 ] - [ 0.0001494700000000, 0.0002071100000000, -0.0007109700000000 ] - [ 0.0051477700000000, -0.0060750000000000, 0.0004236000000000 ] - [ -0.0002599500000000, 0.0000076500000000, 0.0005975100000000 ] - [ 0.0000703200000000, -0.0024670200000000, 0.0008998300000000 ] - [ -0.0095317900000000, 0.0061988500000000, 0.0204068100000000 ] - [ 0.0000703200000000, -0.0024670200000000, -0.0008998300000000 ] - [ 0.0051477700000000, -0.0060750000000000, -0.0004236000000000 ] - [ 0.0001494700000000, 0.0002071100000000, 0.0007109700000000 ] - [ 0.0001173100000000, -0.0002275200000000, 0.0006210700000000 ] - [ -0.0095317900000000, 0.0061988500000000, -0.0204068100000000 ] - [ -0.0007052300000000, 0.0013086200000000, 0.0010303200000000 ] - [ -0.0002863000000000, -0.0007721800000000, 0.0003196400000000 ] - [ -0.0002863000000000, -0.0007721800000000, -0.0003196400000000 ] - [ -0.0007052300000000, 0.0013086200000000, -0.0010303200000000 ]- atom: 29 displacement: [ 0.0050000000089025, -0.0086602540327045, 0.0000000000000000 ] forces: - [ -0.0025107400000000, -0.0043474900000000, 0.0049992600000000 ] - [ -0.0000187000000000, 0.0000093800000000, 0.0001854100000000 ] - [ 0.0022734500000000, -0.0066927400000000, 0.0085659800000000 ] - [ 0.0000199100000000, -0.0000075000000000, -0.0001736700000000 ] - [ -0.0000187000000000, 0.0000093800000000, -0.0001854100000000 ] - [ -0.0025107400000000, -0.0043474900000000, -0.0049992600000000 ] - [ 0.0000199100000000, -0.0000075000000000, 0.0001736700000000 ] - [ 0.0022734500000000, -0.0066927400000000, -0.0085659800000000 ] - [ -0.0002396900000000, -0.0001840100000000, -0.0001713900000000 ] - [ -0.0001921500000000, 0.0000929500000000, -0.0001320300000000 ] - [ 0.0002624400000000, -0.0001814800000000, -0.0003066700000000 ] - [ 0.0009842500000000, -0.0010151200000000, 0.0008044600000000 ] - [ -0.0001921500000000, 0.0000929500000000, 0.0001320300000000 ] - [ -0.0009619800000000, -0.0005046400000000, 0.0004667500000000 ] - [ -0.0002163400000000, -0.0022304900000000, -0.0055102000000000 ] - [ -0.0009619800000000, -0.0005046400000000, -0.0004667500000000 ] - [ 0.0038543600000000, 0.0007871900000000, -0.0030895100000000 ] - [ -0.0000042200000000, -0.0000222000000000, 0.0000556300000000 ] - [ 0.0000014300000000, 0.0000198600000000, 0.0000586300000000 ] - [ 0.0063625500000000, -0.0032658800000000, 0.0071020800000000 ] - [ -0.0005554300000000, 0.0008836100000000, -0.0011915900000000 ] - [ 0.0038543600000000, 0.0007871900000000, 0.0030895100000000 ] - [ -0.0005554300000000, 0.0008836100000000, 0.0011915900000000 ] - [ -0.0000095100000000, -0.0000237900000000, 0.0000527000000000 ] - [ 0.0063625500000000, -0.0032658800000000, -0.0071020800000000 ] - [ 0.0000014300000000, 0.0000198600000000, -0.0000586300000000 ] - [ -0.0000095100000000, -0.0000237900000000, -0.0000527000000000 ] - [ -0.0000042200000000, -0.0000222000000000, -0.0000556300000000 ] - [ -0.0298014500000000, 0.0335502100000000, 0.0000000000000000 ] - [ -0.0001109500000000, 0.0001571700000000, 0.0000000000000000 ] - [ -0.0000806400000000, -0.0001676500000000, 0.0000000000000000 ] - [ 0.0015800600000000, -0.0023554800000000, 0.0000000000000000 ] - [ 0.0003308300000000, -0.0020267000000000, 0.0000000000000000 ] - [ 0.0002003200000000, 0.0000097300000000, 0.0000000000000000 ] - [ -0.0002163400000000, -0.0022304900000000, 0.0055102000000000 ] - [ -0.0002396900000000, -0.0001840100000000, 0.0001713900000000 ] - [ 0.0002624400000000, -0.0001814800000000, 0.0003066700000000 ] - [ 0.0009842500000000, -0.0010151200000000, -0.0008044600000000 ] - [ 0.0001495800000000, -0.0002284100000000, -0.0006660600000000 ] - [ -0.0002690900000000, -0.0000055800000000, -0.0006875800000000 ] - [ 0.0001162100000000, 0.0002504500000000, -0.0005757600000000 ] - [ -0.0053649100000000, 0.0056362100000000, -0.0016610900000000 ] - [ -0.0002690900000000, -0.0000055800000000, 0.0006875800000000 ] - [ -0.0003568100000000, 0.0029146800000000, -0.0021647200000000 ] - [ 0.0096503900000000, -0.0059300800000000, -0.0206911100000000 ] - [ -0.0003568100000000, 0.0029146800000000, 0.0021647200000000 ] - [ -0.0053649100000000, 0.0056362100000000, 0.0016610900000000 ] - [ 0.0001162100000000, 0.0002504500000000, 0.0005757600000000 ] - [ 0.0001495800000000, -0.0002284100000000, 0.0006660600000000 ] - [ 0.0096503900000000, -0.0059300800000000, 0.0206911100000000 ] - [ 0.0006943300000000, -0.0012648000000000, -0.0010161900000000 ] - [ 0.0002715800000000, 0.0007262300000000, -0.0003232700000000 ] - [ 0.0002715800000000, 0.0007262300000000, 0.0003232700000000 ] - [ 0.0006943300000000, -0.0012648000000000, 0.0010161900000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0071757300000000, -0.0158374900000000, 0.0048826900000000 ] - [ -0.0000047500000000, -0.0000641500000000, 0.0049499600000000 ] - [ 0.0071283200000000, -0.0157143500000000, 0.0046167300000000 ] - [ 0.0000037400000000, -0.0000657300000000, 0.0046139500000000 ] - [ 0.0000037400000000, 0.0000657300000000, 0.0046139500000000 ] - [ 0.0071283200000000, 0.0157143500000000, 0.0046167300000000 ] - [ -0.0000047500000000, 0.0000641500000000, 0.0049499600000000 ] - [ -0.0071757300000000, 0.0158374900000000, 0.0048826900000000 ] - [ 0.0012211300000000, -0.0021571500000000, 0.0121905000000000 ] - [ -0.0035918600000000, 0.0000000000000000, 0.0131678900000000 ] - [ 0.0012211300000000, 0.0021571500000000, 0.0121905000000000 ] - [ -0.0003558500000000, 0.0004655700000000, 0.0009615300000000 ] - [ 0.0034521200000000, 0.0000000000000000, 0.0135428400000000 ] - [ -0.0003558500000000, -0.0004655700000000, 0.0009615300000000 ] - [ 0.0142015800000000, 0.0000000000000000, 0.0508708100000000 ] - [ 0.0002809600000000, 0.0005966600000000, 0.0012730600000000 ] - [ -0.0071037000000000, 0.0000000000000000, -0.0002741500000000 ] - [ 0.0000997900000000, -0.0000646200000000, 0.0027171900000000 ] - [ 0.0000997900000000, 0.0000646200000000, 0.0027171900000000 ] - [ 0.0253180900000000, -0.0187681200000000, 0.0002115600000000 ] - [ 0.0253180900000000, 0.0187681200000000, 0.0002115600000000 ] - [ 0.0071217900000000, 0.0000000000000000, -0.0003041800000000 ] - [ -0.0251495000000000, -0.0185794000000000, 0.0002928700000000 ] - [ -0.0001415500000000, 0.0000000000000000, 0.0027519600000000 ] - [ -0.0251495000000000, 0.0185794000000000, 0.0002928700000000 ] - [ -0.0000819900000000, -0.0000324800000000, 0.0026094100000000 ] - [ 0.0001058000000000, 0.0000000000000000, 0.0026441400000000 ] - [ -0.0000819900000000, 0.0000324800000000, 0.0026094100000000 ] - [ -0.0025551400000000, 0.0000000000000000, -0.3741843500000000 ] - [ -0.0000927200000000, 0.0001605400000000, 0.0174331500000000 ] - [ -0.0000927200000000, -0.0001605400000000, 0.0174331500000000 ] - [ 0.0000949800000000, 0.0001753600000000, -0.0523999700000000 ] - [ 0.0000949800000000, -0.0001753600000000, -0.0523999700000000 ] - [ 0.0001881200000000, 0.0000000000000000, 0.0178231900000000 ] - [ -0.0142605600000000, 0.0000000000000000, 0.0519015900000000 ] - [ -0.0011561200000000, 0.0020469400000000, 0.0125717900000000 ] - [ -0.0011561200000000, -0.0020469400000000, 0.0125717900000000 ] - [ 0.0002809600000000, -0.0005966600000000, 0.0012730600000000 ] - [ 0.0004464500000000, -0.0008243900000000, -0.0215332400000000 ] - [ -0.0009253500000000, 0.0000000000000000, -0.0220924400000000 ] - [ 0.0004464500000000, 0.0008243900000000, -0.0215332400000000 ] - [ 0.0111529000000000, 0.0013440300000000, 0.0362947500000000 ] - [ 0.0004032200000000, 0.0000000000000000, -0.0207531300000000 ] - [ 0.0111529000000000, -0.0013440300000000, 0.0362947500000000 ] - [ -0.0296331700000000, 0.0000000000000000, 0.1124831400000000 ] - [ -0.0114775700000000, 0.0017490300000000, 0.0378986000000000 ] - [ -0.0114775700000000, -0.0017490300000000, 0.0378986000000000 ] - [ -0.0001828500000000, -0.0003727800000000, -0.0202016200000000 ] - [ -0.0001828500000000, 0.0003727800000000, -0.0202016200000000 ] - [ 0.0325331400000000, 0.0000000000000000, 0.1246164800000000 ] - [ -0.0034325100000000, 0.0083415000000000, -0.0177549200000000 ] - [ 0.0034660000000000, 0.0084298900000000, -0.0177248800000000 ] - [ -0.0034325100000000, -0.0083415000000000, -0.0177549200000000 ] - [ 0.0034660000000000, -0.0084298900000000, -0.0177248800000000 ]- atom: 39 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000105500000000, 0.0000135700000000, 0.0003387600000000 ] - [ -0.0008682800000000, -0.0004755400000000, 0.0007571100000000 ] - [ -0.0000005400000000, -0.0000017900000000, -0.0000822600000000 ] - [ 0.0256738000000000, 0.0232854700000000, -0.0041775400000000 ] - [ 0.0149035200000000, 0.0017348800000000, 0.0054038900000000 ] - [ 0.0000002400000000, 0.0000056100000000, -0.0000824600000000 ] - [ -0.0000070400000000, 0.0008888300000000, 0.0002870300000000 ] - [ -0.0000045100000000, -0.0000067800000000, 0.0001536400000000 ] - [ 0.0136595100000000, -0.0009301900000000, 0.0117935400000000 ] - [ -0.0078625900000000, -0.0068533000000000, 0.0061482900000000 ] - [ -0.0110092700000000, 0.0011236100000000, -0.0053772100000000 ] - [ -0.0000722000000000, -0.0001085300000000, 0.0000530800000000 ] - [ -0.0002896000000000, -0.0003268200000000, -0.0006784300000000 ] - [ -0.0000824200000000, 0.0001135800000000, 0.0000430700000000 ] - [ 0.0000927100000000, -0.0000187600000000, 0.0000185100000000 ] - [ 0.0008051900000000, 0.0003797700000000, 0.0005500500000000 ] - [ 0.0000085800000000, 0.0000288500000000, 0.0001321900000000 ] - [ 0.0001994600000000, 0.0007808800000000, 0.0001634100000000 ] - [ 0.0029573500000000, -0.0016351100000000, -0.0001782300000000 ] - [ 0.0000351900000000, -0.0000339000000000, 0.0001049000000000 ] - [ -0.0000366500000000, -0.0000024300000000, 0.0001166200000000 ] - [ 0.0000120500000000, 0.0000014400000000, -0.0000061300000000 ] - [ -0.0000065900000000, 0.0000100300000000, -0.0000036300000000 ] - [ -0.0001636900000000, -0.0006430000000000, 0.0002624600000000 ] - [ -0.0000076400000000, -0.0000122900000000, -0.0000046600000000 ] - [ 0.0405325600000000, -0.0086823800000000, 0.0039906300000000 ] - [ 0.0156823600000000, -0.0072451200000000, -0.0020816200000000 ] - [ -0.0003975500000000, 0.0339944200000000, 0.0004988300000000 ] - [ -0.0001909500000000, -0.0000182900000000, 0.0003329500000000 ] - [ 0.0102505100000000, -0.0052816000000000, -0.0158662800000000 ] - [ -0.0077895200000000, -0.0020941400000000, 0.0042259100000000 ] - [ 0.0000664600000000, 0.0001567500000000, 0.0003789900000000 ] - [ 0.0000984000000000, -0.0001575700000000, 0.0003511800000000 ] - [ -0.0053011400000000, -0.0028683200000000, -0.0113862700000000 ] - [ -0.0000756700000000, -0.0012713500000000, 0.0004411100000000 ] - [ 0.0002415000000000, -0.0000567500000000, 0.0014672400000000 ] - [ -0.0002492400000000, 0.0000078900000000, 0.0005548700000000 ] - [ -0.0013536100000000, 0.0000883200000000, 0.0005542900000000 ] - [ -0.2289744000000000, -0.0261201900000000, 0.0058751100000000 ] - [ 0.0739004400000000, -0.0134029300000000, -0.0015785100000000 ] - [ 0.0646970500000000, 0.0085607400000000, -0.0033193500000000 ] - [ -0.0001320700000000, -0.0002457100000000, -0.0010884800000000 ] - [ -0.0008006300000000, 0.0009118400000000, 0.0075386500000000 ] - [ -0.0001332400000000, 0.0002313900000000, -0.0010674900000000 ] - [ 0.0002706500000000, 0.0000117000000000, -0.0010424800000000 ] - [ -0.0002030600000000, 0.0001377000000000, 0.0002029000000000 ] - [ -0.0000147100000000, -0.0002069500000000, 0.0002178100000000 ] - [ 0.0010612600000000, 0.0001941500000000, -0.0007219800000000 ] - [ -0.0044737600000000, 0.0016804700000000, -0.0086663200000000 ] - [ 0.0002226600000000, 0.0000698200000000, 0.0002484700000000 ] - [ 0.0002422000000000, 0.0002693100000000, -0.0004987700000000 ] - [ 0.0006350600000000, 0.0015317800000000, -0.0100803000000000 ] - [ 0.0000395900000000, -0.0003619100000000, -0.0002753400000000 ] - [ 0.0042017200000000, 0.0028488700000000, 0.0150582600000000 ]- atom: 39 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000063600000000, -0.0000106700000000, 0.0000250200000000 ] - [ 0.0008209800000000, 0.0004714900000000, -0.0003888700000000 ] - [ 0.0000004400000000, 0.0000075500000000, -0.0002620300000000 ] - [ -0.0254678700000000, -0.0222687900000000, 0.0036415200000000 ] - [ -0.0195743900000000, -0.0019056100000000, -0.0063552200000000 ] - [ 0.0000034100000000, -0.0000024500000000, -0.0002619500000000 ] - [ 0.0000428500000000, -0.0008478800000000, 0.0000859600000000 ] - [ 0.0000043900000000, 0.0000123600000000, 0.0002095900000000 ] - [ -0.0133076600000000, 0.0006138700000000, -0.0113510800000000 ] - [ 0.0077280900000000, 0.0069636800000000, -0.0065004300000000 ] - [ 0.0111313400000000, -0.0011270000000000, 0.0050302400000000 ] - [ 0.0000045100000000, -0.0000093800000000, -0.0004473600000000 ] - [ 0.0001534200000000, 0.0003279700000000, 0.0010997600000000 ] - [ 0.0000136900000000, 0.0000057100000000, -0.0004364600000000 ] - [ 0.0000413700000000, 0.0000200900000000, -0.0004108600000000 ] - [ -0.0008695100000000, -0.0002772800000000, -0.0000909900000000 ] - [ 0.0000203000000000, -0.0000317400000000, -0.0000108300000000 ] - [ -0.0001912600000000, -0.0007989600000000, -0.0000573600000000 ] - [ -0.0028604700000000, 0.0016216400000000, 0.0002955600000000 ] - [ -0.0000508200000000, 0.0000066000000000, 0.0000179100000000 ] - [ 0.0000211000000000, 0.0000278900000000, 0.0000043200000000 ] - [ 0.0000157500000000, -0.0000022600000000, -0.0001034800000000 ] - [ -0.0000077700000000, 0.0000144500000000, -0.0001056200000000 ] - [ 0.0001293100000000, 0.0005563800000000, -0.0001408900000000 ] - [ -0.0000082500000000, -0.0000140400000000, -0.0001050200000000 ] - [ -0.0339270500000000, 0.0061704700000000, -0.0039524000000000 ] - [ -0.0159691500000000, 0.0071087800000000, 0.0019399500000000 ] - [ 0.0001381600000000, -0.0336198700000000, -0.0006158700000000 ] - [ -0.0001887500000000, 0.0000195800000000, -0.0002961500000000 ] - [ -0.0098522900000000, 0.0052661400000000, 0.0151848100000000 ] - [ 0.0076098000000000, 0.0016611700000000, -0.0044067500000000 ] - [ 0.0001218200000000, 0.0001697700000000, -0.0003420200000000 ] - [ 0.0000905600000000, -0.0001698800000000, -0.0003119300000000 ] - [ 0.0056369700000000, 0.0029556700000000, 0.0112402800000000 ] - [ 0.0001957400000000, 0.0012815100000000, -0.0000074100000000 ] - [ -0.0001704700000000, -0.0000416300000000, -0.0009536800000000 ] - [ 0.0003199500000000, 0.0001069700000000, -0.0001391500000000 ] - [ 0.0013111300000000, -0.0002029900000000, -0.0001049400000000 ] - [ 0.2267033800000000, 0.0271617600000000, -0.0062059400000000 ] - [ -0.0740593600000000, 0.0125897000000000, 0.0003379500000000 ] - [ -0.0648168300000000, -0.0067816200000000, 0.0021209400000000 ] - [ -0.0001332100000000, -0.0002149400000000, -0.0002453500000000 ] - [ 0.0002765600000000, -0.0009097500000000, -0.0060982400000000 ] - [ -0.0001314600000000, 0.0002267700000000, -0.0002666100000000 ] - [ 0.0002574700000000, -0.0000124300000000, -0.0002895300000000 ] - [ -0.0000606900000000, 0.0003178400000000, 0.0010341200000000 ] - [ -0.0002495800000000, -0.0002490300000000, 0.0010288300000000 ] - [ -0.0008228300000000, 0.0003049500000000, 0.0021729400000000 ] - [ 0.0046801900000000, -0.0020657800000000, 0.0094656800000000 ] - [ 0.0003023000000000, -0.0000698600000000, 0.0010044600000000 ] - [ -0.0002198100000000, -0.0002693500000000, 0.0004589100000000 ] - [ -0.0006988700000000, -0.0015856900000000, 0.0100013000000000 ] - [ -0.0000501900000000, 0.0003459000000000, 0.0002361200000000 ] - [ -0.0040800700000000, -0.0028477800000000, -0.0153717400000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002228400000000, 0.0000737700000000, -0.0055463900000000 ] - [ 0.0089398100000000, 0.0007582500000000, -0.0062851100000000 ] - [ 0.0000080400000000, 0.0000060200000000, -0.0059118000000000 ] - [ -0.0027705100000000, -0.0027365600000000, 0.0265709600000000 ] - [ 0.0037551800000000, 0.0010310500000000, 0.0265709600000000 ] - [ -0.0000092300000000, -0.0000039500000000, -0.0059118000000000 ] - [ -0.0051265700000000, -0.0073629800000000, -0.0062851100000000 ] - [ -0.0001753100000000, -0.0001561000000000, -0.0055463900000000 ] - [ -0.0062044500000000, 0.0107464200000000, 0.0743007000000000 ] - [ -0.0056806800000000, 0.0008115300000000, 0.0251508900000000 ] - [ 0.0021375400000000, 0.0053253800000000, 0.0251508900000000 ] - [ 0.0015146400000000, 0.0026309500000000, -0.0152503700000000 ] - [ -0.0016910000000000, 0.0003374200000000, -0.0092344700000000 ] - [ 0.0017373800000000, -0.0030092400000000, -0.0155367800000000 ] - [ -0.0030358000000000, 0.0000037600000000, -0.0152503700000000 ] - [ -0.0026849400000000, 0.0046504600000000, -0.0169659400000000 ] - [ -0.0000653300000000, 0.0001308000000000, -0.0030975800000000 ] - [ 0.0019929700000000, -0.0034519200000000, -0.0025578300000000 ] - [ -0.0166726200000000, 0.0072184900000000, -0.0040285700000000 ] - [ -0.0000806100000000, 0.0001219800000000, -0.0030975800000000 ] - [ 0.0000791000000000, -0.0001370000000000, -0.0032355400000000 ] - [ 0.0001366900000000, 0.0000105000000000, -0.0032472900000000 ] - [ -0.0000670100000000, 0.0001160600000000, -0.0032700000000000 ] - [ 0.0020849100000000, 0.0180481600000000, -0.0040285700000000 ] - [ -0.0000774400000000, -0.0001131300000000, -0.0032472900000000 ] - [ -0.0038791900000000, 0.0016084600000000, 0.0255297900000000 ] - [ 0.0005466300000000, 0.0041637100000000, 0.0255297900000000 ] - [ 0.0002530600000000, -0.0004383100000000, 0.0179042700000000 ] - [ -0.0001504100000000, 0.0000524900000000, -0.0208424800000000 ] - [ -0.0212688900000000, 0.0368388000000000, 0.1241874100000000 ] - [ -0.0011444500000000, -0.0025455100000000, 0.0371505800000000 ] - [ 0.0000297500000000, 0.0001565100000000, -0.0208424800000000 ] - [ 0.0001422600000000, -0.0002464000000000, -0.0213981600000000 ] - [ 0.0027767000000000, -0.0002816300000000, 0.0371505800000000 ] - [ 0.0021379900000000, -0.0004032900000000, -0.0142717900000000 ] - [ 0.0027570700000000, -0.0047753900000000, -0.0263950100000000 ] - [ 0.0005532900000000, 0.0016331600000000, -0.0092344700000000 ] - [ -0.0007197400000000, -0.0020532000000000, -0.0142717900000000 ] - [ 0.0071624600000000, -0.0124057500000000, -0.3887085400000000 ] - [ 0.0033628600000000, 0.0011141400000000, -0.0590315100000000 ] - [ -0.0026463000000000, -0.0023552600000000, -0.0590315100000000 ] - [ 0.0002892700000000, 0.0004485000000000, 0.0244693600000000 ] - [ 0.0051099200000000, -0.0047665500000000, -0.0092682300000000 ] - [ 0.0002680200000000, -0.0004642200000000, 0.0246886400000000 ] - [ -0.0005330400000000, -0.0000262700000000, 0.0244693600000000 ] - [ -0.0005470800000000, 0.0009475600000000, 0.0267226700000000 ] - [ -0.0005361300000000, -0.0008988800000000, 0.0254818600000000 ] - [ 0.0015729900000000, -0.0068086000000000, -0.0092682300000000 ] - [ 0.0091950400000000, -0.0159262700000000, 0.1086418900000000 ] - [ 0.0010465100000000, 0.0000148600000000, 0.0254818600000000 ] - [ -0.0033364900000000, -0.0003091300000000, 0.0225810700000000 ] - [ -0.0275708600000000, -0.0359571100000000, 0.0198921900000000 ] - [ 0.0019359600000000, 0.0027349200000000, 0.0225810700000000 ] - [ 0.0449252000000000, 0.0058985100000000, 0.0198921900000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002220400000000, -0.0000690300000000, 0.0059114000000000 ] - [ -0.0089361000000000, -0.0007614500000000, 0.0066138000000000 ] - [ -0.0000082900000000, -0.0000025400000000, 0.0055731100000000 ] - [ 0.0022902400000000, 0.0021850800000000, -0.0268037800000000 ] - [ -0.0030374600000000, -0.0008908700000000, -0.0268037800000000 ] - [ 0.0000063400000000, 0.0000059100000000, 0.0055731100000000 ] - [ 0.0051274900000000, 0.0073581600000000, 0.0066138000000000 ] - [ 0.0001708000000000, 0.0001577800000000, 0.0059114000000000 ] - [ 0.0059635100000000, -0.0103291000000000, -0.0825185300000000 ] - [ 0.0055933800000000, -0.0008236400000000, -0.0257170000000000 ] - [ -0.0020833900000000, -0.0052558300000000, -0.0257170000000000 ] - [ -0.0015851300000000, -0.0027545400000000, 0.0148704400000000 ] - [ 0.0015626400000000, -0.0003361900000000, 0.0096719800000000 ] - [ -0.0018080300000000, 0.0031316100000000, 0.0151623300000000 ] - [ 0.0031780600000000, -0.0000045100000000, 0.0148704400000000 ] - [ 0.0026232900000000, -0.0045436700000000, 0.0174095300000000 ] - [ 0.0000964100000000, -0.0001291900000000, 0.0032161300000000 ] - [ -0.0019716400000000, 0.0034149700000000, 0.0026544200000000 ] - [ 0.0167136400000000, -0.0072014000000000, 0.0040928200000000 ] - [ 0.0000636800000000, -0.0001480900000000, 0.0032161300000000 ] - [ -0.0000943000000000, 0.0001633200000000, 0.0033546000000000 ] - [ -0.0001057100000000, -0.0000113500000000, 0.0031450300000000 ] - [ 0.0000520300000000, -0.0000901200000000, 0.0031685300000000 ] - [ -0.0021202200000000, -0.0180751400000000, 0.0040928200000000 ] - [ 0.0000626800000000, 0.0000858800000000, 0.0031450300000000 ] - [ 0.0034950700000000, -0.0013237300000000, -0.0255533000000000 ] - [ -0.0006011500000000, -0.0036886800000000, -0.0255533000000000 ] - [ -0.0001488800000000, 0.0002578800000000, -0.0179915800000000 ] - [ -0.0002279300000000, -0.0000510400000000, 0.0208845000000000 ] - [ 0.0198664700000000, -0.0344097300000000, -0.1129153600000000 ] - [ 0.0009481400000000, 0.0022102700000000, -0.0370381400000000 ] - [ 0.0001581700000000, 0.0001718700000000, 0.0208845000000000 ] - [ 0.0000466600000000, -0.0000808100000000, 0.0214393100000000 ] - [ -0.0023882200000000, 0.0002840200000000, -0.0370381400000000 ] - [ -0.0020102200000000, 0.0004105100000000, 0.0147061500000000 ] - [ -0.0026977200000000, 0.0046726000000000, 0.0268458100000000 ] - [ -0.0004901700000000, -0.0015213800000000, 0.0096719800000000 ] - [ 0.0006496000000000, 0.0019461600000000, 0.0147061500000000 ] - [ -0.0049546100000000, 0.0085816400000000, 0.3833992800000000 ] - [ -0.0039901800000000, -0.0009221500000000, 0.0577377600000000 ] - [ 0.0027937000000000, 0.0029945200000000, 0.0577377600000000 ] - [ -0.0005541900000000, -0.0009067300000000, -0.0258484100000000 ] - [ -0.0056263500000000, 0.0047788800000000, 0.0105908600000000 ] - [ -0.0005318900000000, 0.0009212700000000, -0.0260696000000000 ] - [ 0.0010623400000000, 0.0000265800000000, -0.0258484100000000 ] - [ 0.0002844700000000, -0.0004927200000000, -0.0254407900000000 ] - [ 0.0002749600000000, 0.0004430200000000, -0.0241989900000000 ] - [ -0.0013254600000000, 0.0072620000000000, 0.0105908600000000 ] - [ -0.0089436300000000, 0.0154908200000000, -0.1067509700000000 ] - [ -0.0005211500000000, -0.0000166100000000, -0.0241989900000000 ] - [ 0.0033594400000000, 0.0003190200000000, -0.0226252700000000 ] - [ 0.0278013200000000, 0.0362619800000000, -0.0201025800000000 ] - [ -0.0019560000000000, -0.0027498500000000, -0.0226252700000000 ] - [ -0.0453044600000000, -0.0059456500000000, -0.0201025800000000 ]- atom: 51 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002585100000000, 0.0002561600000000, 0.0001771700000000 ] - [ 0.0112430100000000, -0.0001178700000000, 0.0001472500000000 ] - [ 0.0111805500000000, 0.0001443400000000, -0.0001463200000000 ] - [ -0.0002615500000000, -0.0002586700000000, -0.0001774600000000 ] - [ 0.0003906900000000, 0.0000297500000000, -0.0001779300000000 ] - [ -0.0059043000000000, 0.0051273000000000, -0.0001882500000000 ] - [ -0.0059045100000000, -0.0051857800000000, 0.0001882800000000 ] - [ 0.0003912400000000, -0.0000274800000000, 0.0001777500000000 ] - [ 0.0001669800000000, -0.0002840700000000, 0.0005042600000000 ] - [ 0.0000403900000000, 0.0000129100000000, -0.0004932800000000 ] - [ -0.0000521200000000, -0.0000690100000000, -0.0006411600000000 ] - [ 0.0357237800000000, 0.0012820600000000, -0.0049293900000000 ] - [ 0.0136995900000000, 0.0094741300000000, 0.0045960100000000 ] - [ 0.0160183600000000, 0.0162061300000000, 0.0008997100000000 ] - [ 0.0138440600000000, -0.0099309900000000, 0.0044696800000000 ] - [ -0.0001194600000000, 0.0001859800000000, -0.0002192100000000 ] - [ 0.0001184200000000, -0.0009963700000000, 0.0000709100000000 ] - [ 0.0023465000000000, -0.0011605000000000, -0.0004729000000000 ] - [ -0.0076797200000000, 0.0023279000000000, -0.0006964100000000 ] - [ 0.0002316100000000, 0.0001492100000000, 0.0000526200000000 ] - [ -0.0008378700000000, -0.0002874600000000, 0.0000509400000000 ] - [ 0.0003224200000000, -0.0092221900000000, 0.0012369600000000 ] - [ -0.0076587900000000, -0.0022733900000000, -0.0008503300000000 ] - [ 0.0003077600000000, 0.0092848600000000, 0.0013838400000000 ] - [ 0.0023429200000000, 0.0011157600000000, -0.0006003000000000 ] - [ -0.0008286200000000, 0.0003152500000000, -0.0000649400000000 ] - [ 0.0000904900000000, 0.0009993600000000, -0.0000460900000000 ] - [ 0.0002457900000000, -0.0001769100000000, -0.0000645900000000 ] - [ 0.0007842800000000, -0.0002450400000000, -0.0034270700000000 ] - [ 0.0013819200000000, -0.0015945000000000, 0.0090105200000000 ] - [ -0.0006084400000000, -0.0013396600000000, -0.0055413000000000 ] - [ 0.0015475900000000, 0.0019176300000000, 0.0089616500000000 ] - [ -0.0004100000000000, 0.0010141400000000, -0.0055322400000000 ] - [ 0.0011739200000000, 0.0002409000000000, -0.0034694900000000 ] - [ 0.0001746900000000, -0.0000128200000000, -0.0000678600000000 ] - [ 0.0380931200000000, -0.0011472300000000, -0.0059122400000000 ] - [ 0.0157369600000000, -0.0153636100000000, 0.0008532300000000 ] - [ 0.0000981300000000, 0.0001655100000000, 0.0009204300000000 ] - [ 0.0003646600000000, -0.0006900300000000, -0.0040037800000000 ] - [ -0.0000510100000000, -0.0002548600000000, 0.0007611000000000 ] - [ 0.0001796800000000, -0.0001509500000000, 0.0012961900000000 ] - [ 0.0040413000000000, 0.0002174600000000, -0.0455497800000000 ] - [ -0.0016466800000000, 0.0003688500000000, 0.0181701900000000 ] - [ 0.0005016400000000, 0.0050582600000000, 0.0270348900000000 ] - [ -0.0011805500000000, -0.0003504500000000, 0.0166854100000000 ] - [ -0.0000889200000000, 0.0006047000000000, 0.0025917300000000 ] - [ 0.0001007700000000, 0.0002317600000000, -0.0026893400000000 ] - [ 0.0008321200000000, -0.0046485000000000, 0.0283294800000000 ] - [ 0.0042423800000000, -0.0006719100000000, -0.0446703700000000 ] - [ 0.0004729800000000, 0.0002572200000000, 0.0020413500000000 ] - [ -0.2240294800000000, -0.0011740300000000, 0.0000199300000000 ] - [ 0.0003869300000000, -0.0000000400000000, 0.0000002100000000 ] - [ 0.0791913400000000, 0.0006461400000000, 0.0000004300000000 ] - [ -0.0004884500000000, 0.0000006600000000, -0.0000000600000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0049370700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0156248300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0157140400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0052925900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0053743300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000948800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004068500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0050146100000000 ] - [ -0.0013822500000000, 0.0024403200000000, -0.0136886000000000 ] - [ 0.0028045000000000, -0.0000231000000000, -0.0136886000000000 ] - [ -0.0014222500000000, -0.0024172200000000, -0.0136886000000000 ] - [ -0.0228559100000000, -0.0061686800000000, 0.0364626900000000 ] - [ 0.0163426400000000, 0.0160546300000000, 0.0365488400000000 ] - [ 0.0060857300000000, 0.0228781400000000, 0.0364626900000000 ] - [ 0.0167701900000000, -0.0167094600000000, 0.0364626900000000 ] - [ -0.0014872100000000, 0.0025298900000000, -0.0132536400000000 ] - [ -0.0000871800000000, -0.0000851800000000, -0.0028279100000000 ] - [ 0.0005794500000000, 0.0017356700000000, -0.0023255500000000 ] - [ -0.0017928600000000, -0.0003660100000000, -0.0023255500000000 ] - [ -0.0000301800000000, 0.0001180900000000, -0.0028279100000000 ] - [ 0.0001173600000000, -0.0000329100000000, -0.0028279100000000 ] - [ 0.0012647300000000, 0.0014057300000000, -0.0024448200000000 ] - [ -0.0018497600000000, 0.0003924300000000, -0.0024448200000000 ] - [ 0.0012134100000000, -0.0013696600000000, -0.0023255500000000 ] - [ 0.0005850300000000, -0.0017981500000000, -0.0024448200000000 ] - [ 0.0001337200000000, 0.0000569200000000, -0.0029438100000000 ] - [ -0.0001161500000000, 0.0000873400000000, -0.0029438100000000 ] - [ -0.0000175600000000, -0.0001442600000000, -0.0029438100000000 ] - [ -0.0008915900000000, 0.0007789800000000, -0.0177320400000000 ] - [ 0.0009259300000000, -0.0000560000000000, -0.0177468500000000 ] - [ -0.0004144700000000, 0.0008298700000000, -0.0177468500000000 ] - [ 0.0011204100000000, 0.0003826500000000, -0.0177320400000000 ] - [ -0.0002288200000000, -0.0011616300000000, -0.0177320400000000 ] - [ -0.0005114600000000, -0.0007738800000000, -0.0177468500000000 ] - [ 0.0029345500000000, 0.0000230200000000, -0.0132536400000000 ] - [ -0.0220750400000000, 0.0061258300000000, 0.0365488400000000 ] - [ 0.0057324000000000, -0.0221804500000000, 0.0365488400000000 ] - [ -0.0014473400000000, -0.0025529100000000, -0.0132536400000000 ] - [ -0.0003504900000000, 0.0003444000000000, 0.0219619200000000 ] - [ 0.0004735000000000, 0.0001313400000000, 0.0219619200000000 ] - [ -0.0001230100000000, -0.0004757300000000, 0.0219619200000000 ] - [ -0.0154468300000000, 0.0025939400000000, 0.0193784700000000 ] - [ 0.0048697400000000, 0.0144874700000000, 0.0206146300000000 ] - [ 0.0099698300000000, 0.0120803800000000, 0.0193784700000000 ] - [ 0.0054770000000000, -0.0146743100000000, 0.0193784700000000 ] - [ -0.0003888200000000, 0.0009287800000000, 0.0232417400000000 ] - [ -0.0006099400000000, -0.0008011200000000, 0.0232417400000000 ] - [ 0.0101116500000000, -0.0114610600000000, 0.0206146300000000 ] - [ -0.0149813900000000, -0.0030264200000000, 0.0206146300000000 ] - [ 0.0009987600000000, -0.0001276700000000, 0.0232417400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1596904100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0199293300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0844803900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0199620500000000 ]