# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/5b87e9f7-5dd5-43ef-b983-86dd86d02e15/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 SrLi2Ta2O7 / Cmcm (63) / materials id 558054](https://mdr.nims.go.jp/datasets/fecd7a4e-4f38-4419-a85c-15f80accc772) ## 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: "Cmcm" number: 63 Hall_symbol: "-C 2c 2"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 9.029918670000001, -2.791509245000000, 0.000000000000000 ] # a - [ 9.029918670000001, 2.791509245000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.570659840000000 ] # c points: - symbol: Sr # 1 coordinates: [ 0.744865690000000, 0.255134310000000, 0.250000000000000 ] mass: 87.620000 - symbol: Sr # 2 coordinates: [ 0.255134310000000, 0.744865690000000, 0.750000000000000 ] mass: 87.620000 - symbol: Li # 3 coordinates: [ 0.260587570000000, 0.260587570000000, 0.500000000000000 ] mass: 6.941000 - symbol: Li # 4 coordinates: [ 0.739412430000000, 0.739412430000000, 0.500000000000000 ] mass: 6.941000 - symbol: Li # 5 coordinates: [ 0.739412430000000, 0.739412430000000, 0.000000000000000 ] mass: 6.941000 - symbol: Li # 6 coordinates: [ 0.260587570000000, 0.260587570000000, 0.000000000000000 ] mass: 6.941000 - symbol: Ta # 7 coordinates: [ 0.868721390000000, 0.361410010000000, 0.750000000000000 ] mass: 180.947880 - symbol: Ta # 8 coordinates: [ 0.638589990000000, 0.131278610000000, 0.750000000000000 ] mass: 180.947880 - symbol: Ta # 9 coordinates: [ 0.361410010000000, 0.868721390000000, 0.250000000000000 ] mass: 180.947880 - symbol: Ta # 10 coordinates: [ 0.131278610000000, 0.638589990000000, 0.250000000000000 ] mass: 180.947880 - symbol: O # 11 coordinates: [ 0.094542660000000, 0.094542660000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.000079710000000, 0.563000470000000, 0.250000000000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.384825690000000, 0.384825690000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.094542660000000, 0.094542660000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.436999530000000, 0.999920290000000, 0.250000000000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.905457340000000, 0.905457340000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.384825690000000, 0.384825690000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.615174310000000, 0.615174310000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.905457340000000, 0.905457340000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.563000470000000, 0.000079710000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.705663460000000, 0.294336540000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.999920290000000, 0.436999530000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.615174310000000, 0.615174310000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.294336540000000, 0.705663460000000, 0.250000000000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.055371484314819, -0.179114577856252, 0.000000000000000 ] # a* - [ 0.055371484314819, 0.179114577856252, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.179511948085489 ] # c*unit_cell: lattice: - [ 18.059837340000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.583018490000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.570659840000000 ] # c points: - symbol: Sr # 1 coordinates: [ 0.000000000000000, 0.255134310000000, 0.250000000000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 2 coordinates: [ 0.000000000000000, 0.744865690000000, 0.750000000000000 ] mass: 87.620000 reduced_to: 2 - symbol: Sr # 3 coordinates: [ 0.500000000000000, 0.755134310000000, 0.250000000000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 4 coordinates: [ 0.500000000000000, 0.244865690000000, 0.750000000000000 ] mass: 87.620000 reduced_to: 2 - symbol: Li # 5 coordinates: [ 0.260587570000000, 0.000000000000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 6 coordinates: [ 0.239412430000000, 0.500000000000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 6 - symbol: Li # 7 coordinates: [ 0.239412430000000, 0.500000000000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 8 coordinates: [ 0.260587570000000, 0.000000000000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 8 - symbol: Li # 9 coordinates: [ 0.760587570000000, 0.500000000000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 10 coordinates: [ 0.739412430000000, 0.000000000000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 6 - symbol: Li # 11 coordinates: [ 0.739412430000000, 0.000000000000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 12 coordinates: [ 0.760587570000000, 0.500000000000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 8 - symbol: Ta # 13 coordinates: [ 0.115065700000000, 0.246344310000000, 0.750000000000000 ] mass: 180.947880 reduced_to: 13 - symbol: Ta # 14 coordinates: [ 0.384934300000000, 0.746344310000000, 0.750000000000000 ] mass: 180.947880 reduced_to: 14 - symbol: Ta # 15 coordinates: [ 0.115065700000000, 0.753655690000000, 0.250000000000000 ] mass: 180.947880 reduced_to: 15 - symbol: Ta # 16 coordinates: [ 0.384934300000000, 0.253655690000000, 0.250000000000000 ] mass: 180.947880 reduced_to: 16 - symbol: Ta # 17 coordinates: [ 0.615065700000000, 0.746344310000000, 0.750000000000000 ] mass: 180.947880 reduced_to: 13 - symbol: Ta # 18 coordinates: [ 0.884934300000000, 0.246344310000000, 0.750000000000000 ] mass: 180.947880 reduced_to: 14 - symbol: Ta # 19 coordinates: [ 0.615065700000000, 0.253655690000000, 0.250000000000000 ] mass: 180.947880 reduced_to: 15 - symbol: Ta # 20 coordinates: [ 0.884934300000000, 0.753655690000000, 0.250000000000000 ] mass: 180.947880 reduced_to: 16 - symbol: O # 21 coordinates: [ 0.094542660000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.281540090000000, 0.281460380000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.384825690000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.094542660000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.218459910000000, 0.781460380000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.405457340000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.384825690000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.115174310000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.405457340000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.281540090000000, 0.718539620000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.000000000000000, 0.294336540000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.218459910000000, 0.218539620000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.115174310000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.000000000000000, 0.705663460000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.594542660000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 36 coordinates: [ 0.781540090000000, 0.781460380000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 37 coordinates: [ 0.884825690000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 38 coordinates: [ 0.594542660000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 39 coordinates: [ 0.718459910000000, 0.281460380000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 40 coordinates: [ 0.905457340000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 41 coordinates: [ 0.884825690000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 42 coordinates: [ 0.615174310000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 43 coordinates: [ 0.905457340000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 44 coordinates: [ 0.781540090000000, 0.218539620000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 45 coordinates: [ 0.500000000000000, 0.794336540000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 46 coordinates: [ 0.718459910000000, 0.718539620000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 47 coordinates: [ 0.615174310000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 48 coordinates: [ 0.500000000000000, 0.205663460000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 34supercell: lattice: - [ 18.059837340000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.583018490000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.141319680000001 ] # c points: - symbol: Sr # 1 coordinates: [ 0.000000000000000, 0.255134310000000, 0.125000000000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 2 coordinates: [ 0.000000000000000, 0.255134310000000, 0.625000000000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 3 coordinates: [ 0.000000000000000, 0.744865690000000, 0.375000000000000 ] mass: 87.620000 reduced_to: 3 - symbol: Sr # 4 coordinates: [ 0.000000000000000, 0.744865690000000, 0.875000000000000 ] mass: 87.620000 reduced_to: 3 - symbol: Sr # 5 coordinates: [ 0.500000000000000, 0.755134310000000, 0.125000000000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 6 coordinates: [ 0.500000000000000, 0.755134310000000, 0.625000000000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 7 coordinates: [ 0.500000000000000, 0.244865690000000, 0.375000000000000 ] mass: 87.620000 reduced_to: 3 - symbol: Sr # 8 coordinates: [ 0.500000000000000, 0.244865690000000, 0.875000000000000 ] mass: 87.620000 reduced_to: 3 - symbol: Li # 9 coordinates: [ 0.260587570000000, 0.000000000000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 10 coordinates: [ 0.260587570000000, 0.000000000000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 11 coordinates: [ 0.239412430000000, 0.500000000000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 11 - symbol: Li # 12 coordinates: [ 0.239412430000000, 0.500000000000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 11 - symbol: Li # 13 coordinates: [ 0.239412430000000, 0.500000000000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 14 coordinates: [ 0.239412430000000, 0.500000000000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 15 coordinates: [ 0.260587570000000, 0.000000000000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 15 - symbol: Li # 16 coordinates: [ 0.260587570000000, 0.000000000000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 15 - symbol: Li # 17 coordinates: [ 0.760587570000000, 0.500000000000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 18 coordinates: [ 0.760587570000000, 0.500000000000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 19 coordinates: [ 0.739412430000000, 0.000000000000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 11 - symbol: Li # 20 coordinates: [ 0.739412430000000, 0.000000000000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 11 - symbol: Li # 21 coordinates: [ 0.739412430000000, 0.000000000000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 22 coordinates: [ 0.739412430000000, 0.000000000000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 23 coordinates: [ 0.760587570000000, 0.500000000000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 15 - symbol: Li # 24 coordinates: [ 0.760587570000000, 0.500000000000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 15 - symbol: Ta # 25 coordinates: [ 0.115065700000000, 0.246344310000000, 0.375000000000000 ] mass: 180.947880 reduced_to: 25 - symbol: Ta # 26 coordinates: [ 0.115065700000000, 0.246344310000000, 0.875000000000000 ] mass: 180.947880 reduced_to: 25 - symbol: Ta # 27 coordinates: [ 0.384934300000000, 0.746344310000000, 0.375000000000000 ] mass: 180.947880 reduced_to: 27 - symbol: Ta # 28 coordinates: [ 0.384934300000000, 0.746344310000000, 0.875000000000000 ] mass: 180.947880 reduced_to: 27 - symbol: Ta # 29 coordinates: [ 0.115065700000000, 0.753655690000000, 0.125000000000000 ] mass: 180.947880 reduced_to: 29 - symbol: Ta # 30 coordinates: [ 0.115065700000000, 0.753655690000000, 0.625000000000000 ] mass: 180.947880 reduced_to: 29 - symbol: Ta # 31 coordinates: [ 0.384934300000000, 0.253655690000000, 0.125000000000000 ] mass: 180.947880 reduced_to: 31 - symbol: Ta # 32 coordinates: [ 0.384934300000000, 0.253655690000000, 0.625000000000000 ] mass: 180.947880 reduced_to: 31 - symbol: Ta # 33 coordinates: [ 0.615065700000000, 0.746344310000000, 0.375000000000000 ] mass: 180.947880 reduced_to: 25 - symbol: Ta # 34 coordinates: [ 0.615065700000000, 0.746344310000000, 0.875000000000000 ] mass: 180.947880 reduced_to: 25 - symbol: Ta # 35 coordinates: [ 0.884934300000000, 0.246344310000000, 0.375000000000000 ] mass: 180.947880 reduced_to: 27 - symbol: Ta # 36 coordinates: [ 0.884934300000000, 0.246344310000000, 0.875000000000000 ] mass: 180.947880 reduced_to: 27 - symbol: Ta # 37 coordinates: [ 0.615065700000000, 0.253655690000000, 0.125000000000000 ] mass: 180.947880 reduced_to: 29 - symbol: Ta # 38 coordinates: [ 0.615065700000000, 0.253655690000000, 0.625000000000000 ] mass: 180.947880 reduced_to: 29 - symbol: Ta # 39 coordinates: [ 0.884934300000000, 0.753655690000000, 0.125000000000000 ] mass: 180.947880 reduced_to: 31 - symbol: Ta # 40 coordinates: [ 0.884934300000000, 0.753655690000000, 0.625000000000000 ] mass: 180.947880 reduced_to: 31 - symbol: O # 41 coordinates: [ 0.094542660000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.094542660000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.281540090000000, 0.281460380000000, 0.125000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.281540090000000, 0.281460380000000, 0.625000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.384825690000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.384825690000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.094542660000000, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.094542660000000, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.218459910000000, 0.781460380000000, 0.125000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.218459910000000, 0.781460380000000, 0.625000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.405457340000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.405457340000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.384825690000000, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.384825690000000, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.115174310000000, 0.500000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.115174310000000, 0.500000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.405457340000000, 0.500000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.405457340000000, 0.500000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.281540090000000, 0.718539620000000, 0.375000000000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.281540090000000, 0.718539620000000, 0.875000000000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 61 coordinates: [ 0.000000000000000, 0.294336540000000, 0.375000000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.000000000000000, 0.294336540000000, 0.875000000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.218459910000000, 0.218539620000000, 0.375000000000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.218459910000000, 0.218539620000000, 0.875000000000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 65 coordinates: [ 0.115174310000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.115174310000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.000000000000000, 0.705663460000000, 0.125000000000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.000000000000000, 0.705663460000000, 0.625000000000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.594542660000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 70 coordinates: [ 0.594542660000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 71 coordinates: [ 0.781540090000000, 0.781460380000000, 0.125000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 72 coordinates: [ 0.781540090000000, 0.781460380000000, 0.625000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 73 coordinates: [ 0.884825690000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 74 coordinates: [ 0.884825690000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 75 coordinates: [ 0.594542660000000, 0.500000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 76 coordinates: [ 0.594542660000000, 0.500000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 77 coordinates: [ 0.718459910000000, 0.281460380000000, 0.125000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 78 coordinates: [ 0.718459910000000, 0.281460380000000, 0.625000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 79 coordinates: [ 0.905457340000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 80 coordinates: [ 0.905457340000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 81 coordinates: [ 0.884825690000000, 0.500000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 82 coordinates: [ 0.884825690000000, 0.500000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 83 coordinates: [ 0.615174310000000, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 84 coordinates: [ 0.615174310000000, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 85 coordinates: [ 0.905457340000000, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 86 coordinates: [ 0.905457340000000, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 87 coordinates: [ 0.781540090000000, 0.218539620000000, 0.375000000000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 88 coordinates: [ 0.781540090000000, 0.218539620000000, 0.875000000000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 89 coordinates: [ 0.500000000000000, 0.794336540000000, 0.375000000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 90 coordinates: [ 0.500000000000000, 0.794336540000000, 0.875000000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 91 coordinates: [ 0.718459910000000, 0.718539620000000, 0.375000000000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 92 coordinates: [ 0.718459910000000, 0.718539620000000, 0.875000000000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 93 coordinates: [ 0.615174310000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 94 coordinates: [ 0.615174310000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 95 coordinates: [ 0.500000000000000, 0.205663460000000, 0.125000000000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 96 coordinates: [ 0.500000000000000, 0.205663460000000, 0.625000000000000 ] mass: 15.999400 reduced_to: 67displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0648869000000000, 0.0004427200000000, 0.0000000000000000 ] - [ -0.0043324300000000, 0.0001311100000000, 0.0000000000000000 ] - [ -0.0091399000000000, -0.0001354400000000, -0.0000189000000000 ] - [ -0.0091399000000000, -0.0001354400000000, 0.0000189000000000 ] - [ 0.0017544100000000, 0.0001316700000000, 0.0000000000000000 ] - [ 0.0014381200000000, 0.0001316100000000, 0.0000000000000000 ] - [ 0.0015962100000000, -0.0001316500000000, 0.0000005900000000 ] - [ 0.0015962100000000, -0.0001316500000000, -0.0000005900000000 ] - [ 0.0021015800000000, 0.0000882800000000, 0.0005075600000000 ] - [ 0.0010771300000000, -0.0001725800000000, -0.0004263900000000 ] - [ 0.0016930700000000, -0.0000866700000000, 0.0005706600000000 ] - [ 0.0001931400000000, 0.0001931100000000, -0.0004737900000000 ] - [ 0.0016930700000000, -0.0000866700000000, -0.0005706600000000 ] - [ 0.0001931400000000, 0.0001931100000000, 0.0004737900000000 ] - [ 0.0021015800000000, 0.0000882800000000, -0.0005075600000000 ] - [ 0.0010771300000000, -0.0001725800000000, 0.0004263900000000 ] - [ 0.0025256500000000, 0.0000906300000000, -0.0005643100000000 ] - [ 0.0010335700000000, -0.0001928000000000, 0.0004735800000000 ] - [ 0.0012604300000000, -0.0000908600000000, -0.0005038300000000 ] - [ 0.0002394800000000, 0.0001722300000000, 0.0004260100000000 ] - [ 0.0012604300000000, -0.0000908600000000, 0.0005038300000000 ] - [ 0.0002394800000000, 0.0001722300000000, -0.0004260100000000 ] - [ 0.0025256500000000, 0.0000906300000000, 0.0005643100000000 ] - [ 0.0010335700000000, -0.0001928000000000, -0.0004735800000000 ] - [ -0.0023573700000000, 0.0005570300000000, 0.0247319600000000 ] - [ -0.0023573700000000, 0.0005570300000000, -0.0247319600000000 ] - [ 0.0049684800000000, 0.0000221800000000, 0.0006623400000000 ] - [ 0.0049684800000000, 0.0000221800000000, -0.0006623400000000 ] - [ -0.0005258700000000, -0.0004613700000000, 0.0000000000000000 ] - [ -0.0045970000000000, -0.0001281800000000, 0.0000000000000000 ] - [ 0.0064238600000000, -0.0001103900000000, 0.0000000000000000 ] - [ 0.0038680100000000, 0.0000309600000000, 0.0000000000000000 ] - [ 0.0046468500000000, -0.0001659000000000, -0.0006587500000000 ] - [ 0.0046468500000000, -0.0001659000000000, 0.0006587500000000 ] - [ -0.0020024600000000, -0.0007071000000000, -0.0245918500000000 ] - [ -0.0020024600000000, -0.0007071000000000, 0.0245918500000000 ] - [ 0.0060909900000000, 0.0002530600000000, 0.0000000000000000 ] - [ 0.0035464500000000, 0.0001125800000000, 0.0000000000000000 ] - [ -0.0001348600000000, 0.0006136200000000, 0.0000000000000000 ] - [ -0.0042656100000000, 0.0002736500000000, 0.0000000000000000 ] - [ 0.0065704100000000, -0.0025526800000000, 0.0023517900000000 ] - [ 0.0026773000000000, 0.0014951600000000, -0.0030020600000000 ] - [ -0.0043225300000000, 0.0003779000000000, 0.0000000000000000 ] - [ -0.0019101100000000, 0.0001889100000000, 0.0000000000000000 ] - [ -0.0011218000000000, 0.0001799700000000, 0.0002571600000000 ] - [ -0.0008450400000000, -0.0001417600000000, -0.0002224300000000 ] - [ 0.0065704100000000, -0.0025526800000000, -0.0023517900000000 ] - [ 0.0026773000000000, 0.0014951600000000, 0.0030020600000000 ] - [ -0.0023317300000000, 0.0001775300000000, 0.0000000000000000 ] - [ 0.0000509100000000, 0.0001762100000000, 0.0000000000000000 ] - [ -0.0012372400000000, -0.0001540600000000, 0.0002238400000000 ] - [ -0.0010349400000000, 0.0001245500000000, -0.0001918100000000 ] - [ -0.0011218000000000, 0.0001799700000000, -0.0002571600000000 ] - [ -0.0008450400000000, -0.0001417600000000, 0.0002224300000000 ] - [ 0.0004015000000000, -0.0011383000000000, -0.0054009500000000 ] - [ 0.0019377300000000, -0.0017090100000000, 0.0029800700000000 ] - [ -0.0012372400000000, -0.0001540600000000, -0.0002238400000000 ] - [ -0.0010349400000000, 0.0001245500000000, 0.0001918100000000 ] - [ -0.0028711100000000, -0.0002927700000000, -0.0006190200000000 ] - [ -0.0028711100000000, -0.0002927700000000, 0.0006190200000000 ] - [ 0.0146172500000000, -0.0002325100000000, 0.0000139400000000 ] - [ 0.0146172500000000, -0.0002325100000000, -0.0000139400000000 ] - [ -0.0011766400000000, -0.0000362000000000, -0.0016228100000000 ] - [ -0.0011766400000000, -0.0000362000000000, 0.0016228100000000 ] - [ 0.0004015000000000, -0.0011383000000000, 0.0054009500000000 ] - [ 0.0019377300000000, -0.0017090100000000, -0.0029800700000000 ] - [ 0.0224328300000000, 0.0002231200000000, 0.0000000000000000 ] - [ 0.0064216100000000, 0.0002277800000000, 0.0000000000000000 ] - [ -0.0011538300000000, 0.0001525700000000, -0.0002219300000000 ] - [ -0.0009522500000000, -0.0001241500000000, 0.0001911700000000 ] - [ -0.0023189800000000, 0.0000911500000000, 0.0000000000000000 ] - [ 0.0000784800000000, 0.0000903700000000, 0.0000000000000000 ] - [ 0.0004907200000000, 0.0011656700000000, -0.0054449200000000 ] - [ 0.0021465400000000, 0.0017101400000000, 0.0029771500000000 ] - [ -0.0011538300000000, 0.0001525700000000, 0.0002219300000000 ] - [ -0.0009522500000000, -0.0001241500000000, -0.0001911700000000 ] - [ -0.0043422800000000, -0.0001128500000000, 0.0000000000000000 ] - [ -0.0019463400000000, 0.0000754800000000, 0.0000000000000000 ] - [ 0.0062450200000000, 0.0023787800000000, -0.0025106100000000 ] - [ 0.0025881800000000, -0.0014963100000000, 0.0030012200000000 ] - [ 0.0004907200000000, 0.0011656700000000, 0.0054449200000000 ] - [ 0.0021465400000000, 0.0017101400000000, -0.0029771500000000 ] - [ -0.0013362700000000, -0.0001780600000000, 0.0002551400000000 ] - [ -0.0010596500000000, 0.0001412600000000, -0.0002217900000000 ] - [ 0.0062450200000000, 0.0023787800000000, 0.0025106100000000 ] - [ 0.0025881800000000, -0.0014963100000000, -0.0030012200000000 ] - [ -0.0011574400000000, -0.0002292500000000, 0.0016162300000000 ] - [ -0.0011574400000000, -0.0002292500000000, -0.0016162300000000 ] - [ -0.0033407400000000, -0.0002270700000000, -0.0000003600000000 ] - [ -0.0033407400000000, -0.0002270700000000, 0.0000003600000000 ] - [ -0.0029063700000000, 0.0000279600000000, 0.0006178200000000 ] - [ -0.0029063700000000, 0.0000279600000000, -0.0006178200000000 ] - [ -0.0013362700000000, -0.0001780600000000, -0.0002551400000000 ] - [ -0.0010596500000000, 0.0001412600000000, 0.0002217900000000 ] - [ -0.0039933900000000, 0.0002274300000000, 0.0000000000000000 ] - [ -0.0028320600000000, 0.0002271100000000, 0.0000000000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0724286400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000358100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0068459100000000, 0.0012082000000000 ] - [ 0.0000000000000000, 0.0068459100000000, -0.0012082000000000 ] - [ 0.0000000000000000, 0.0001362200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001338900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001347900000000, 0.0000166400000000 ] - [ 0.0000000000000000, -0.0001347900000000, -0.0000166400000000 ] - [ 0.0000530700000000, 0.0000357900000000, 0.0000249300000000 ] - [ 0.0003741300000000, 0.0000119900000000, -0.0000004400000000 ] - [ 0.0001734300000000, 0.0000078600000000, 0.0000017300000000 ] - [ -0.0004112300000000, -0.0000340800000000, -0.0000475400000000 ] - [ 0.0001734300000000, 0.0000078600000000, -0.0000017300000000 ] - [ -0.0004112300000000, -0.0000340800000000, 0.0000475400000000 ] - [ 0.0000530700000000, 0.0000357900000000, -0.0000249300000000 ] - [ 0.0003741300000000, 0.0000119900000000, 0.0000004400000000 ] - [ -0.0001734300000000, 0.0000078600000000, 0.0000017300000000 ] - [ 0.0004112300000000, -0.0000340800000000, -0.0000475400000000 ] - [ -0.0000530700000000, 0.0000357900000000, 0.0000249300000000 ] - [ -0.0003741300000000, 0.0000119900000000, -0.0000004400000000 ] - [ -0.0000530700000000, 0.0000357900000000, -0.0000249300000000 ] - [ -0.0003741300000000, 0.0000119900000000, 0.0000004400000000 ] - [ -0.0001734300000000, 0.0000078600000000, -0.0000017300000000 ] - [ 0.0004112300000000, -0.0000340800000000, 0.0000475400000000 ] - [ -0.0010646800000000, -0.0105040500000000, -0.0010400900000000 ] - [ -0.0010646800000000, -0.0105040500000000, 0.0010400900000000 ] - [ 0.0001629200000000, -0.0000613200000000, 0.0000657500000000 ] - [ 0.0001629200000000, -0.0000613200000000, -0.0000657500000000 ] - [ 0.0030319100000000, 0.0351110400000000, 0.0000000000000000 ] - [ -0.0003067100000000, 0.0008017000000000, 0.0000000000000000 ] - [ 0.0002106200000000, 0.0000463800000000, 0.0000000000000000 ] - [ 0.0000589400000000, 0.0000828000000000, 0.0000000000000000 ] - [ -0.0001629200000000, -0.0000613200000000, 0.0000657500000000 ] - [ -0.0001629200000000, -0.0000613200000000, -0.0000657500000000 ] - [ 0.0010646800000000, -0.0105040500000000, -0.0010400900000000 ] - [ 0.0010646800000000, -0.0105040500000000, 0.0010400900000000 ] - [ -0.0002106200000000, 0.0000463800000000, 0.0000000000000000 ] - [ -0.0000589400000000, 0.0000828000000000, 0.0000000000000000 ] - [ -0.0030319100000000, 0.0351110400000000, 0.0000000000000000 ] - [ 0.0003067100000000, 0.0008017000000000, 0.0000000000000000 ] - [ -0.0001365100000000, 0.0026913400000000, -0.0001101100000000 ] - [ -0.0000879700000000, 0.0003484000000000, 0.0003873600000000 ] - [ -0.0000690300000000, 0.0002689300000000, 0.0000000000000000 ] - [ 0.0000983400000000, 0.0001266400000000, 0.0000000000000000 ] - [ 0.0001069500000000, 0.0000123300000000, 0.0000254500000000 ] - [ 0.0001153800000000, -0.0000252600000000, -0.0000274800000000 ] - [ -0.0001365100000000, 0.0026913400000000, 0.0001101100000000 ] - [ -0.0000879700000000, 0.0003484000000000, -0.0003873600000000 ] - [ -0.0006550400000000, -0.0015543400000000, 0.0000000000000000 ] - [ 0.0000639200000000, 0.0001283200000000, 0.0000000000000000 ] - [ -0.0000482200000000, -0.0000087600000000, 0.0000181000000000 ] - [ -0.0000343400000000, 0.0000169400000000, -0.0000226900000000 ] - [ 0.0001069500000000, 0.0000123300000000, -0.0000254500000000 ] - [ 0.0001153800000000, -0.0000252600000000, 0.0000274800000000 ] - [ -0.0034161500000000, 0.0009854200000000, -0.0032343000000000 ] - [ -0.0000217000000000, 0.0004082500000000, 0.0001024400000000 ] - [ -0.0000482200000000, -0.0000087600000000, -0.0000181000000000 ] - [ -0.0000343400000000, 0.0000169400000000, 0.0000226900000000 ] - [ -0.0000267600000000, -0.0001947200000000, -0.0000638800000000 ] - [ -0.0000267600000000, -0.0001947200000000, 0.0000638800000000 ] - [ 0.0000000000000000, 0.0035870800000000, -0.0001479400000000 ] - [ 0.0000000000000000, 0.0035870800000000, 0.0001479400000000 ] - [ 0.0000872300000000, 0.0008557100000000, -0.0000142400000000 ] - [ 0.0000872300000000, 0.0008557100000000, 0.0000142400000000 ] - [ -0.0034161500000000, 0.0009854200000000, 0.0032343000000000 ] - [ -0.0000217000000000, 0.0004082500000000, -0.0001024400000000 ] - [ 0.0000000000000000, 0.0031103600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002120900000000, 0.0000000000000000 ] - [ 0.0000482200000000, -0.0000087600000000, 0.0000181000000000 ] - [ 0.0000343400000000, 0.0000169400000000, -0.0000226900000000 ] - [ 0.0006550400000000, -0.0015543400000000, 0.0000000000000000 ] - [ -0.0000639200000000, 0.0001283200000000, 0.0000000000000000 ] - [ 0.0034161500000000, 0.0009854200000000, 0.0032343000000000 ] - [ 0.0000217000000000, 0.0004082500000000, -0.0001024400000000 ] - [ 0.0000482200000000, -0.0000087600000000, -0.0000181000000000 ] - [ 0.0000343400000000, 0.0000169400000000, 0.0000226900000000 ] - [ 0.0000690300000000, 0.0002689300000000, 0.0000000000000000 ] - [ -0.0000983400000000, 0.0001266400000000, 0.0000000000000000 ] - [ 0.0001365100000000, 0.0026913400000000, -0.0001101100000000 ] - [ 0.0000879700000000, 0.0003484000000000, 0.0003873600000000 ] - [ 0.0034161500000000, 0.0009854200000000, -0.0032343000000000 ] - [ 0.0000217000000000, 0.0004082500000000, 0.0001024400000000 ] - [ -0.0001069500000000, 0.0000123300000000, -0.0000254500000000 ] - [ -0.0001153800000000, -0.0000252600000000, 0.0000274800000000 ] - [ 0.0001365100000000, 0.0026913400000000, 0.0001101100000000 ] - [ 0.0000879700000000, 0.0003484000000000, -0.0003873600000000 ] - [ -0.0000872300000000, 0.0008557100000000, -0.0000142400000000 ] - [ -0.0000872300000000, 0.0008557100000000, 0.0000142400000000 ] - [ 0.0000000000000000, -0.0002332500000000, -0.0000146400000000 ] - [ 0.0000000000000000, -0.0002332500000000, 0.0000146400000000 ] - [ 0.0000267600000000, -0.0001947200000000, -0.0000638800000000 ] - [ 0.0000267600000000, -0.0001947200000000, 0.0000638800000000 ] - [ -0.0001069500000000, 0.0000123300000000, 0.0000254500000000 ] - [ -0.0001153800000000, -0.0000252600000000, -0.0000274800000000 ] - [ 0.0000000000000000, 0.0002396800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002244400000000, 0.0000000000000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0715870300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002305800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0071067900000000, -0.0010882100000000 ] - [ 0.0000000000000000, -0.0071067900000000, 0.0010882100000000 ] - [ 0.0000000000000000, 0.0001313700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001328500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001323400000000, -0.0000162000000000 ] - [ 0.0000000000000000, -0.0001323400000000, 0.0000162000000000 ] - [ 0.0007856400000000, -0.0000342600000000, -0.0000220200000000 ] - [ 0.0004700500000000, -0.0000117600000000, 0.0000000200000000 ] - [ -0.0010113300000000, -0.0000076000000000, -0.0000006200000000 ] - [ -0.0004328100000000, 0.0000340500000000, 0.0000470100000000 ] - [ -0.0010113300000000, -0.0000076000000000, 0.0000006200000000 ] - [ -0.0004328100000000, 0.0000340500000000, -0.0000470100000000 ] - [ 0.0007856400000000, -0.0000342600000000, 0.0000220200000000 ] - [ 0.0004700500000000, -0.0000117600000000, -0.0000000200000000 ] - [ 0.0010113300000000, -0.0000076000000000, -0.0000006200000000 ] - [ 0.0004328100000000, 0.0000340500000000, 0.0000470100000000 ] - [ -0.0007856400000000, -0.0000342600000000, -0.0000220200000000 ] - [ -0.0004700500000000, -0.0000117600000000, 0.0000000200000000 ] - [ -0.0007856400000000, -0.0000342600000000, 0.0000220200000000 ] - [ -0.0004700500000000, -0.0000117600000000, -0.0000000200000000 ] - [ 0.0010113300000000, -0.0000076000000000, 0.0000006200000000 ] - [ 0.0004328100000000, 0.0000340500000000, -0.0000470100000000 ] - [ 0.0006696000000000, 0.0103422100000000, 0.0009941000000000 ] - [ 0.0006696000000000, 0.0103422100000000, -0.0009941000000000 ] - [ 0.0001407500000000, -0.0000821200000000, -0.0000637500000000 ] - [ 0.0001407500000000, -0.0000821200000000, 0.0000637500000000 ] - [ -0.0027736100000000, -0.0348999800000000, 0.0000000000000000 ] - [ 0.0000037300000000, -0.0006560000000000, 0.0000000000000000 ] - [ 0.0000948500000000, 0.0000965900000000, 0.0000000000000000 ] - [ 0.0002447200000000, 0.0000608600000000, 0.0000000000000000 ] - [ -0.0001407500000000, -0.0000821200000000, -0.0000637500000000 ] - [ -0.0001407500000000, -0.0000821200000000, 0.0000637500000000 ] - [ -0.0006696000000000, 0.0103422100000000, 0.0009941000000000 ] - [ -0.0006696000000000, 0.0103422100000000, -0.0009941000000000 ] - [ -0.0000948500000000, 0.0000965900000000, 0.0000000000000000 ] - [ -0.0002447200000000, 0.0000608600000000, 0.0000000000000000 ] - [ 0.0027736100000000, -0.0348999800000000, 0.0000000000000000 ] - [ -0.0000037300000000, -0.0006560000000000, 0.0000000000000000 ] - [ 0.0003826900000000, -0.0028732100000000, 0.0000163400000000 ] - [ 0.0001701700000000, -0.0003542200000000, -0.0003868100000000 ] - [ 0.0000894900000000, -0.0000033100000000, 0.0000000000000000 ] - [ -0.0000783900000000, 0.0001403700000000, 0.0000000000000000 ] - [ 0.0001097800000000, -0.0000117000000000, -0.0000244100000000 ] - [ 0.0001015300000000, 0.0000241500000000, 0.0000265200000000 ] - [ 0.0003826900000000, -0.0028732100000000, -0.0000163400000000 ] - [ 0.0001701700000000, -0.0003542200000000, 0.0003868100000000 ] - [ 0.0005983900000000, 0.0018221400000000, 0.0000000000000000 ] - [ -0.0000833200000000, 0.0001404000000000, 0.0000000000000000 ] - [ -0.0000345300000000, 0.0000080600000000, -0.0000172300000000 ] - [ -0.0000471500000000, -0.0000161700000000, 0.0000218400000000 ] - [ 0.0001097800000000, -0.0000117000000000, 0.0000244100000000 ] - [ 0.0001015300000000, 0.0000241500000000, -0.0000265200000000 ] - [ 0.0031952600000000, -0.0008816000000000, 0.0032003600000000 ] - [ -0.0001898300000000, -0.0004058400000000, -0.0001017600000000 ] - [ -0.0000345300000000, 0.0000080600000000, 0.0000172300000000 ] - [ -0.0000471500000000, -0.0000161700000000, -0.0000218400000000 ] - [ 0.0000486000000000, -0.0000720500000000, 0.0000631200000000 ] - [ 0.0000486000000000, -0.0000720500000000, -0.0000631200000000 ] - [ 0.0000000000000000, -0.0040345200000000, 0.0001894100000000 ] - [ 0.0000000000000000, -0.0040345200000000, -0.0001894100000000 ] - [ -0.0001024100000000, -0.0011193200000000, 0.0000088900000000 ] - [ -0.0001024100000000, -0.0011193200000000, -0.0000088900000000 ] - [ 0.0031952600000000, -0.0008816000000000, -0.0032003600000000 ] - [ -0.0001898300000000, -0.0004058400000000, 0.0001017600000000 ] - [ 0.0000000000000000, -0.0013376400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002438000000000, 0.0000000000000000 ] - [ 0.0000345300000000, 0.0000080600000000, -0.0000172300000000 ] - [ 0.0000471500000000, -0.0000161700000000, 0.0000218400000000 ] - [ -0.0005983900000000, 0.0018221400000000, 0.0000000000000000 ] - [ 0.0000833200000000, 0.0001404000000000, 0.0000000000000000 ] - [ -0.0031952600000000, -0.0008816000000000, -0.0032003600000000 ] - [ 0.0001898300000000, -0.0004058400000000, 0.0001017600000000 ] - [ 0.0000345300000000, 0.0000080600000000, 0.0000172300000000 ] - [ 0.0000471500000000, -0.0000161700000000, -0.0000218400000000 ] - [ -0.0000894900000000, -0.0000033100000000, 0.0000000000000000 ] - [ 0.0000783900000000, 0.0001403700000000, 0.0000000000000000 ] - [ -0.0003826900000000, -0.0028732100000000, 0.0000163400000000 ] - [ -0.0001701700000000, -0.0003542200000000, -0.0003868100000000 ] - [ -0.0031952600000000, -0.0008816000000000, 0.0032003600000000 ] - [ 0.0001898300000000, -0.0004058400000000, -0.0001017600000000 ] - [ -0.0001097800000000, -0.0000117000000000, 0.0000244100000000 ] - [ -0.0001015300000000, 0.0000241500000000, -0.0000265200000000 ] - [ -0.0003826900000000, -0.0028732100000000, -0.0000163400000000 ] - [ -0.0001701700000000, -0.0003542200000000, 0.0003868100000000 ] - [ 0.0001024100000000, -0.0011193200000000, 0.0000088900000000 ] - [ 0.0001024100000000, -0.0011193200000000, -0.0000088900000000 ] - [ 0.0000000000000000, -0.0002210000000000, 0.0000145000000000 ] - [ 0.0000000000000000, -0.0002210000000000, -0.0000145000000000 ] - [ -0.0000486000000000, -0.0000720500000000, 0.0000631200000000 ] - [ -0.0000486000000000, -0.0000720500000000, -0.0000631200000000 ] - [ -0.0001097800000000, -0.0000117000000000, -0.0000244100000000 ] - [ -0.0001015300000000, 0.0000241500000000, 0.0000265200000000 ] - [ 0.0000000000000000, 0.0002152000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002294900000000, 0.0000000000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0003336000000000, -0.0611753900000000 ] - [ 0.0000000000000000, 0.0001343500000000, 0.0068039600000000 ] - [ 0.0000000000000000, 0.0010208500000000, 0.0065339100000000 ] - [ 0.0000000000000000, -0.0012762400000000, 0.0065089800000000 ] - [ 0.0000000000000000, 0.0001348900000000, -0.0002829800000000 ] - [ 0.0000000000000000, 0.0001345000000000, 0.0002816400000000 ] - [ 0.0000000000000000, -0.0001183000000000, -0.0000002700000000 ] - [ 0.0000000000000000, -0.0001510400000000, 0.0000011300000000 ] - [ 0.0012221000000000, -0.0003105300000000, -0.0006706100000000 ] - [ -0.0000261000000000, 0.0003111100000000, 0.0006734400000000 ] - [ 0.0007004400000000, 0.0002799300000000, -0.0006580100000000 ] - [ -0.0009020000000000, -0.0003107100000000, 0.0006534900000000 ] - [ -0.0015443500000000, -0.0002779800000000, -0.0006558100000000 ] - [ 0.0000659500000000, 0.0003107800000000, 0.0006511300000000 ] - [ -0.0003845000000000, 0.0003077400000000, -0.0006673900000000 ] - [ 0.0008680300000000, -0.0003114300000000, 0.0006719000000000 ] - [ -0.0007004400000000, 0.0002799300000000, -0.0006580100000000 ] - [ 0.0009020000000000, -0.0003107100000000, 0.0006534900000000 ] - [ -0.0012221000000000, -0.0003105300000000, -0.0006706100000000 ] - [ 0.0000261000000000, 0.0003111100000000, 0.0006734400000000 ] - [ 0.0003845000000000, 0.0003077400000000, -0.0006673900000000 ] - [ -0.0008680300000000, -0.0003114300000000, 0.0006719000000000 ] - [ 0.0015443500000000, -0.0002779800000000, -0.0006558100000000 ] - [ -0.0000659500000000, 0.0003107800000000, 0.0006511300000000 ] - [ 0.0209409500000000, -0.0008294200000000, 0.0173054700000000 ] - [ -0.0209760400000000, 0.0006703600000000, 0.0172063200000000 ] - [ 0.0013426600000000, -0.0000282600000000, 0.0000040900000000 ] - [ -0.0010493500000000, -0.0001104500000000, 0.0000093800000000 ] - [ -0.0002365200000000, 0.0000677700000000, -0.0311278000000000 ] - [ -0.0001422000000000, 0.0000698300000000, 0.0116490700000000 ] - [ 0.0001438400000000, 0.0000692000000000, -0.0011445600000000 ] - [ 0.0001498600000000, 0.0000695000000000, 0.0011313900000000 ] - [ -0.0013426600000000, -0.0000282600000000, 0.0000040900000000 ] - [ 0.0010493500000000, -0.0001104500000000, 0.0000093800000000 ] - [ -0.0209409500000000, -0.0008294200000000, 0.0173054700000000 ] - [ 0.0209760400000000, 0.0006703600000000, 0.0172063200000000 ] - [ -0.0001438400000000, 0.0000692000000000, -0.0011445600000000 ] - [ -0.0001498600000000, 0.0000695000000000, 0.0011313900000000 ] - [ 0.0002365200000000, 0.0000677700000000, -0.0311278000000000 ] - [ 0.0001422000000000, 0.0000698300000000, 0.0116490700000000 ] - [ 0.0009331200000000, -0.0032678200000000, 0.0094704800000000 ] - [ -0.0012886300000000, 0.0032192900000000, -0.0053444400000000 ] - [ 0.0000307300000000, 0.0001311600000000, 0.0010179900000000 ] - [ 0.0000249900000000, 0.0001317700000000, -0.0008929300000000 ] - [ 0.0002687900000000, 0.0002412000000000, 0.0004056400000000 ] - [ -0.0000442800000000, -0.0002407500000000, -0.0004060100000000 ] - [ -0.0007041900000000, 0.0031954800000000, 0.0096433800000000 ] - [ 0.0013508700000000, -0.0032182400000000, -0.0053446700000000 ] - [ -0.0000152200000000, 0.0001325200000000, 0.0033567300000000 ] - [ -0.0000306500000000, 0.0001319300000000, -0.0015135800000000 ] - [ 0.0000447600000000, -0.0002212800000000, 0.0003633200000000 ] - [ -0.0001213900000000, 0.0002209700000000, -0.0003631500000000 ] - [ -0.0000446800000000, -0.0002417100000000, 0.0004073300000000 ] - [ 0.0002667700000000, 0.0002417900000000, -0.0004075500000000 ] - [ -0.0042358100000000, -0.0057882600000000, 0.0055498300000000 ] - [ 0.0013494700000000, 0.0035639300000000, -0.0052415200000000 ] - [ -0.0001214800000000, 0.0002218900000000, 0.0003647100000000 ] - [ 0.0000444200000000, -0.0002219100000000, -0.0003646600000000 ] - [ -0.0011694700000000, -0.0002551400000000, -0.0000610000000000 ] - [ 0.0012254600000000, -0.0000079100000000, -0.0000645000000000 ] - [ 0.0000000000000000, -0.0001000700000000, -0.0068209000000000 ] - [ 0.0000000000000000, -0.0003476800000000, -0.0071332000000000 ] - [ -0.0039714500000000, 0.0000432200000000, -0.0008125400000000 ] - [ 0.0039039400000000, -0.0003063200000000, -0.0008191100000000 ] - [ 0.0040429500000000, 0.0057736500000000, 0.0054518000000000 ] - [ -0.0015851700000000, -0.0035617900000000, -0.0052384200000000 ] - [ 0.0000000000000000, 0.0002185800000000, 0.0101205000000000 ] - [ 0.0000000000000000, 0.0002261800000000, -0.0032143700000000 ] - [ -0.0000447600000000, -0.0002212800000000, 0.0003633200000000 ] - [ 0.0001213900000000, 0.0002209700000000, -0.0003631500000000 ] - [ 0.0000152200000000, 0.0001325200000000, 0.0033567300000000 ] - [ 0.0000306500000000, 0.0001319300000000, -0.0015135800000000 ] - [ -0.0040429500000000, 0.0057736500000000, 0.0054518000000000 ] - [ 0.0015851700000000, -0.0035617900000000, -0.0052384200000000 ] - [ 0.0001214800000000, 0.0002218900000000, 0.0003647100000000 ] - [ -0.0000444200000000, -0.0002219100000000, -0.0003646600000000 ] - [ -0.0000307300000000, 0.0001311600000000, 0.0010179900000000 ] - [ -0.0000249900000000, 0.0001317700000000, -0.0008929300000000 ] - [ -0.0009331200000000, -0.0032678200000000, 0.0094704800000000 ] - [ 0.0012886300000000, 0.0032192900000000, -0.0053444400000000 ] - [ 0.0042358100000000, -0.0057882600000000, 0.0055498300000000 ] - [ -0.0013494700000000, 0.0035639300000000, -0.0052415200000000 ] - [ 0.0000446800000000, -0.0002417100000000, 0.0004073300000000 ] - [ -0.0002667700000000, 0.0002417900000000, -0.0004075500000000 ] - [ 0.0007041900000000, 0.0031954800000000, 0.0096433800000000 ] - [ -0.0013508700000000, -0.0032182400000000, -0.0053446700000000 ] - [ 0.0039714500000000, 0.0000432200000000, -0.0008125400000000 ] - [ -0.0039039400000000, -0.0003063200000000, -0.0008191100000000 ] - [ 0.0000000000000000, -0.0002704900000000, -0.0000019100000000 ] - [ 0.0000000000000000, -0.0001830500000000, -0.0000032100000000 ] - [ 0.0011694700000000, -0.0002551400000000, -0.0000610000000000 ] - [ -0.0012254600000000, -0.0000079100000000, -0.0000645000000000 ] - [ -0.0002687900000000, 0.0002412000000000, 0.0004056400000000 ] - [ 0.0000442800000000, -0.0002407500000000, -0.0004060100000000 ] - [ 0.0000000000000000, 0.0002267800000000, 0.0002669800000000 ] - [ 0.0000000000000000, 0.0002268900000000, -0.0002621900000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0016774700000000, -0.0002297500000000, 0.0007986500000000 ] - [ 0.0006609800000000, 0.0000856400000000, -0.0004461600000000 ] - [ 0.0016774700000000, 0.0002297500000000, -0.0007986500000000 ] - [ 0.0006609800000000, -0.0000856400000000, 0.0004461600000000 ] - [ 0.0021127400000000, -0.0004595500000000, -0.0011246100000000 ] - [ 0.0006119600000000, 0.0001217500000000, 0.0004837000000000 ] - [ 0.0021127400000000, 0.0004595500000000, 0.0011246100000000 ] - [ 0.0006119600000000, -0.0001217500000000, -0.0004837000000000 ] - [ -0.0267100400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0005847700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0047116500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0013831300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0022128500000000, 0.0007031700000000, 0.0001881200000000 ] - [ -0.0022128500000000, -0.0007031700000000, -0.0001881200000000 ] - [ -0.0024283500000000, -0.0004938300000000, 0.0000063700000000 ] - [ -0.0024283500000000, 0.0004938300000000, -0.0000063700000000 ] - [ 0.0011757800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0010518800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0003566100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002180500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002820400000000, -0.0000402400000000, 0.0000014300000000 ] - [ 0.0002820400000000, 0.0000402400000000, -0.0000014300000000 ] - [ 0.0011201800000000, 0.0000403600000000, -0.0000086600000000 ] - [ 0.0011201800000000, -0.0000403600000000, 0.0000086600000000 ] - [ 0.0079836600000000, -0.0056948400000000, -0.0081540000000000 ] - [ -0.0020585200000000, -0.0001541100000000, 0.0026204800000000 ] - [ 0.0061888600000000, -0.0106714600000000, 0.0136013900000000 ] - [ -0.0021245900000000, -0.0007208300000000, -0.0026837000000000 ] - [ 0.0079836600000000, 0.0056948400000000, 0.0081540000000000 ] - [ -0.0020585200000000, 0.0001541100000000, -0.0026204800000000 ] - [ 0.0061888600000000, 0.0106714600000000, -0.0136013900000000 ] - [ -0.0021245900000000, 0.0007208300000000, 0.0026837000000000 ] - [ 0.0037586300000000, -0.0001574300000000, 0.0004538800000000 ] - [ 0.0022636500000000, -0.0000356900000000, -0.0004957600000000 ] - [ 0.0039732100000000, -0.0000332300000000, -0.0004400900000000 ] - [ 0.0026319300000000, -0.0000380400000000, 0.0004276700000000 ] - [ 0.0037586300000000, 0.0001574300000000, -0.0004538800000000 ] - [ 0.0022636500000000, 0.0000356900000000, 0.0004957600000000 ] - [ 0.0039732100000000, 0.0000332300000000, 0.0004400900000000 ] - [ 0.0026319300000000, 0.0000380400000000, -0.0004276700000000 ] - [ -0.0004484700000000, 0.0011839600000000, -0.0022566700000000 ] - [ -0.0004484700000000, -0.0011839600000000, 0.0022566700000000 ] - [ 0.0078592300000000, -0.0014345900000000, 0.0012670500000000 ] - [ 0.0028029200000000, 0.0000205500000000, 0.0000777800000000 ] - [ 0.0000275900000000, 0.0012490500000000, 0.0029722500000000 ] - [ 0.0000275900000000, -0.0012490500000000, -0.0029722500000000 ] - [ -0.0043346700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001015900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0052974000000000, 0.0015292200000000, 0.0016502500000000 ] - [ 0.0024920700000000, 0.0002006500000000, 0.0001264800000000 ] - [ -0.0003082500000000, -0.0014526800000000, 0.0021853800000000 ] - [ -0.0003082500000000, 0.0014526800000000, -0.0021853800000000 ] - [ -0.0069631000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0004345600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0010065800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001510100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0007926200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000802500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0078592300000000, 0.0014345900000000, -0.0012670500000000 ] - [ 0.0028029200000000, -0.0000205500000000, -0.0000777800000000 ] - [ -0.0027341500000000, 0.0000394800000000, 0.0006216500000000 ] - [ -0.0009190000000000, -0.0002872200000000, -0.0003742400000000 ] - [ 0.0052974000000000, -0.0015292200000000, -0.0016502500000000 ] - [ 0.0024920700000000, -0.0002006500000000, -0.0001264800000000 ] - [ -0.0003461100000000, -0.0018822100000000, -0.0023545700000000 ] - [ -0.0003461100000000, 0.0018822100000000, 0.0023545700000000 ] - [ -0.0027341500000000, -0.0000394800000000, -0.0006216500000000 ] - [ -0.0009190000000000, 0.0002872200000000, 0.0003742400000000 ] - [ -0.0007562600000000, -0.0002003100000000, 0.0004574400000000 ] - [ -0.0007562600000000, 0.0002003100000000, -0.0004574400000000 ] - [ -0.0020012900000000, 0.0002230300000000, -0.0000331500000000 ] - [ -0.0016334500000000, 0.0002164800000000, 0.0000312600000000 ] - [ -0.0006443100000000, -0.0002072200000000, -0.0003441500000000 ] - [ -0.0006443100000000, 0.0002072200000000, 0.0003441500000000 ] - [ -0.0008825900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0004639500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0020442600000000, 0.0000268700000000, 0.0000492500000000 ] - [ -0.0016599400000000, 0.0000599700000000, -0.0000403300000000 ] - [ -0.0007547400000000, 0.0001585700000000, -0.0003440600000000 ] - [ -0.0007547400000000, -0.0001585700000000, 0.0003440600000000 ] - [ -0.0007545000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0004479300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0010273100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0006466400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0010065000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0005652700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0020012900000000, -0.0002230300000000, 0.0000331500000000 ] - [ -0.0016334500000000, -0.0002164800000000, -0.0000312600000000 ] - [ -0.0027097200000000, 0.0003604300000000, -0.0010450400000000 ] - [ -0.0007773100000000, -0.0001333400000000, 0.0003726200000000 ] - [ -0.0020442600000000, -0.0000268700000000, -0.0000492500000000 ] - [ -0.0016599400000000, -0.0000599700000000, 0.0000403300000000 ] - [ -0.0008271900000000, 0.0002136300000000, 0.0003490500000000 ] - [ -0.0008271900000000, -0.0002136300000000, -0.0003490500000000 ] - [ -0.0027097200000000, -0.0003604300000000, 0.0010450400000000 ] - [ -0.0007773100000000, 0.0001333400000000, -0.0003726200000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0016846800000000, 0.0005041700000000, -0.0008066300000000 ] - [ -0.0006602200000000, 0.0001829300000000, 0.0004466600000000 ] - [ -0.0016846800000000, -0.0005041700000000, 0.0008066300000000 ] - [ -0.0006602200000000, -0.0001829300000000, -0.0004466600000000 ] - [ -0.0021054400000000, 0.0007251600000000, 0.0011210800000000 ] - [ -0.0006125100000000, 0.0001451500000000, -0.0004836100000000 ] - [ -0.0021054400000000, -0.0007251600000000, -0.0011210800000000 ] - [ -0.0006125100000000, -0.0001451500000000, 0.0004836100000000 ] - [ 0.0270786600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0014099900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0038945100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005459600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0013773200000000, -0.0007008100000000, -0.0001844100000000 ] - [ 0.0013773200000000, 0.0007008100000000, 0.0001844100000000 ] - [ 0.0032644100000000, 0.0004935300000000, 0.0000205700000000 ] - [ 0.0032644100000000, -0.0004935300000000, -0.0000205700000000 ] - [ -0.0003425800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002165200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0011846800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0010473600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0011141500000000, 0.0000402000000000, -0.0000010500000000 ] - [ -0.0011141500000000, -0.0000402000000000, 0.0000010500000000 ] - [ -0.0002839500000000, -0.0000403500000000, 0.0000073800000000 ] - [ -0.0002839500000000, 0.0000403500000000, -0.0000073800000000 ] - [ -0.0082448800000000, 0.0056366300000000, 0.0082580400000000 ] - [ 0.0017723000000000, 0.0000174600000000, -0.0026208600000000 ] - [ -0.0058698600000000, 0.0104033800000000, -0.0134771800000000 ] - [ 0.0024126700000000, 0.0005742800000000, 0.0026871400000000 ] - [ -0.0082448800000000, -0.0056366300000000, -0.0082580400000000 ] - [ 0.0017723000000000, -0.0000174600000000, 0.0026208600000000 ] - [ -0.0058698600000000, -0.0104033800000000, 0.0134771800000000 ] - [ 0.0024126700000000, -0.0005742800000000, -0.0026871400000000 ] - [ -0.0040506600000000, 0.0000158900000000, -0.0004539600000000 ] - [ -0.0025557100000000, -0.0001078400000000, 0.0004953800000000 ] - [ -0.0036825700000000, -0.0001090300000000, 0.0004416200000000 ] - [ -0.0023420200000000, -0.0001028900000000, -0.0004278000000000 ] - [ -0.0040506600000000, -0.0000158900000000, 0.0004539600000000 ] - [ -0.0025557100000000, 0.0001078400000000, -0.0004953800000000 ] - [ -0.0036825700000000, 0.0001090300000000, -0.0004416200000000 ] - [ -0.0023420200000000, 0.0001028900000000, 0.0004278000000000 ] - [ 0.0005248800000000, -0.0011823100000000, 0.0022643200000000 ] - [ 0.0005248800000000, 0.0011823100000000, -0.0022643200000000 ] - [ -0.0077462600000000, 0.0016802700000000, -0.0012563400000000 ] - [ -0.0027585800000000, 0.0002435200000000, -0.0000772000000000 ] - [ 0.0001993000000000, -0.0012522100000000, -0.0029629200000000 ] - [ 0.0001993000000000, 0.0012522100000000, 0.0029629200000000 ] - [ 0.0045000600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000232500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0054284300000000, -0.0013647800000000, -0.0017613000000000 ] - [ -0.0025330200000000, 0.0000714800000000, -0.0001201200000000 ] - [ 0.0002354900000000, 0.0014573700000000, -0.0021885300000000 ] - [ 0.0002354900000000, -0.0014573700000000, 0.0021885300000000 ] - [ 0.0074142900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002094000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0007795100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0003750200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0007169500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001566500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0077462600000000, -0.0016802700000000, 0.0012563400000000 ] - [ -0.0027585800000000, -0.0002435200000000, 0.0000772000000000 ] - [ 0.0027283500000000, -0.0004988300000000, -0.0006245400000000 ] - [ 0.0009164300000000, -0.0001714000000000, 0.0003742100000000 ] - [ -0.0054284300000000, 0.0013647800000000, 0.0017613000000000 ] - [ -0.0025330200000000, -0.0000714800000000, 0.0001201200000000 ] - [ 0.0001141800000000, 0.0018755400000000, 0.0023510200000000 ] - [ 0.0001141800000000, -0.0018755400000000, -0.0023510200000000 ] - [ 0.0027283500000000, 0.0004988300000000, 0.0006245400000000 ] - [ 0.0009164300000000, 0.0001714000000000, -0.0003742100000000 ] - [ 0.0008358000000000, 0.0002008000000000, -0.0004573700000000 ] - [ 0.0008358000000000, -0.0002008000000000, 0.0004573700000000 ] - [ 0.0020431300000000, 0.0000492000000000, 0.0000355200000000 ] - [ 0.0016774000000000, 0.0000493000000000, -0.0000331200000000 ] - [ 0.0008694200000000, 0.0002079300000000, 0.0003459500000000 ] - [ 0.0008694200000000, -0.0002079300000000, -0.0003459500000000 ] - [ 0.0009622900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005440800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0020045300000000, 0.0002362300000000, -0.0000497300000000 ] - [ 0.0016227400000000, 0.0002093200000000, 0.0000420700000000 ] - [ 0.0006773100000000, -0.0001592900000000, 0.0003462600000000 ] - [ 0.0006773100000000, 0.0001592900000000, -0.0003462600000000 ] - [ 0.0009803800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0006714600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0008030000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0004240400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0009317900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0004876800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0020431300000000, -0.0000492000000000, -0.0000355200000000 ] - [ 0.0016774000000000, -0.0000493000000000, 0.0000331200000000 ] - [ 0.0027184600000000, -0.0008167900000000, 0.0010441000000000 ] - [ 0.0007798000000000, -0.0003242300000000, -0.0003726100000000 ] - [ 0.0020045300000000, -0.0002362300000000, 0.0000497300000000 ] - [ 0.0016227400000000, -0.0002093200000000, -0.0000420700000000 ] - [ 0.0006044100000000, -0.0002134800000000, -0.0003485800000000 ] - [ 0.0006044100000000, 0.0002134800000000, 0.0003485800000000 ] - [ 0.0027184600000000, 0.0008167900000000, -0.0010441000000000 ] - [ 0.0007798000000000, 0.0003242300000000, 0.0003726100000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000898400000000, 0.0001679500000000, -0.0003091300000000 ] - [ -0.0001719700000000, 0.0001460100000000, 0.0003111700000000 ] - [ -0.0000892300000000, -0.0000959300000000, -0.0003092400000000 ] - [ 0.0001722100000000, -0.0001207600000000, 0.0003118800000000 ] - [ 0.0000890200000000, 0.0001437300000000, 0.0002785100000000 ] - [ -0.0001925500000000, 0.0000999600000000, -0.0003107700000000 ] - [ -0.0000882800000000, -0.0001265600000000, 0.0002788400000000 ] - [ 0.0001928300000000, -0.0001661500000000, -0.0003108500000000 ] - [ 0.0005088900000000, -0.0322263200000000, -0.0078440100000000 ] - [ 0.0004204000000000, -0.0000235300000000, -0.0000292200000000 ] - [ -0.0004447800000000, 0.0128347200000000, 0.0002803000000000 ] - [ -0.0004207500000000, 0.0000293100000000, -0.0000260600000000 ] - [ -0.0011234700000000, 0.0015788700000000, -0.0001349400000000 ] - [ 0.0002811100000000, 0.0015761100000000, -0.0001287100000000 ] - [ -0.0000763800000000, -0.0021170000000000, 0.0000372600000000 ] - [ 0.0009142500000000, -0.0021142900000000, 0.0000103000000000 ] - [ 0.0004210600000000, 0.0000385700000000, 0.0000011300000000 ] - [ 0.0004195000000000, -0.0000193600000000, -0.0000015400000000 ] - [ -0.0004194100000000, -0.0000371700000000, -0.0000083600000000 ] - [ -0.0004201700000000, 0.0000211000000000, 0.0000042500000000 ] - [ -0.0003806300000000, -0.0000079700000000, 0.0000047000000000 ] - [ -0.0004599600000000, -0.0000078900000000, 0.0000038200000000 ] - [ 0.0004606900000000, 0.0000094200000000, -0.0000022900000000 ] - [ 0.0003803800000000, 0.0000092200000000, -0.0000018300000000 ] - [ -0.0117664400000000, 0.0013568800000000, -0.0001604500000000 ] - [ -0.0008409000000000, -0.0000133400000000, 0.0016010900000000 ] - [ -0.0159306000000000, -0.0007711500000000, -0.0007510000000000 ] - [ -0.0004366000000000, 0.0001193800000000, -0.0017041800000000 ] - [ 0.0114785500000000, 0.0015389200000000, -0.0001656200000000 ] - [ 0.0005458100000000, 0.0001247000000000, 0.0015966800000000 ] - [ 0.0162835500000000, -0.0006918800000000, -0.0007770600000000 ] - [ 0.0007279100000000, 0.0002580600000000, -0.0017058900000000 ] - [ -0.0007227800000000, -0.0000606600000000, 0.0002667100000000 ] - [ 0.0001469700000000, -0.0000883400000000, -0.0002665900000000 ] - [ -0.0005387500000000, -0.0000893800000000, -0.0002798400000000 ] - [ 0.0004042400000000, -0.0000524200000000, 0.0002840400000000 ] - [ 0.0004363600000000, 0.0000792200000000, 0.0002670700000000 ] - [ -0.0004351300000000, 0.0000532500000000, -0.0002661100000000 ] - [ 0.0008335200000000, 0.0000518100000000, -0.0002782600000000 ] - [ -0.0001139100000000, 0.0000876300000000, 0.0002825300000000 ] - [ -0.0005592700000000, 0.0011506800000000, -0.0009590800000000 ] - [ 0.0006389700000000, 0.0011540800000000, -0.0009595100000000 ] - [ -0.0068205400000000, 0.0009623200000000, 0.0034390900000000 ] - [ -0.0006450300000000, 0.0000643000000000, -0.0001994800000000 ] - [ -0.0002649400000000, 0.0015134300000000, 0.0008911400000000 ] - [ 0.0004856600000000, 0.0015054800000000, 0.0008903500000000 ] - [ 0.0000342000000000, 0.0032984500000000, 0.0025929500000000 ] - [ 0.0000382200000000, -0.0002313900000000, -0.0005280600000000 ] - [ -0.0034630800000000, 0.0059088700000000, 0.0019788900000000 ] - [ -0.0008260800000000, 0.0001716300000000, 0.0003156300000000 ] - [ -0.0008741400000000, -0.0013121400000000, 0.0011777100000000 ] - [ 0.0007990600000000, -0.0013150100000000, 0.0011805300000000 ] - [ 0.0001109100000000, 0.0084331100000000, -0.0041053900000000 ] - [ 0.0001113900000000, -0.0003874700000000, 0.0006415600000000 ] - [ -0.0001033700000000, -0.0035903800000000, 0.0024853400000000 ] - [ -0.0001108800000000, 0.0003055900000000, -0.0005747800000000 ] - [ -0.0000451300000000, -0.0025998000000000, -0.0023601800000000 ] - [ -0.0000381500000000, 0.0002699300000000, 0.0006049900000000 ] - [ 0.0069194900000000, 0.0004302400000000, 0.0035833600000000 ] - [ 0.0007068300000000, -0.0001987100000000, -0.0001980700000000 ] - [ 0.0017530500000000, -0.0004028900000000, 0.0001953400000000 ] - [ -0.0002382900000000, -0.0002372900000000, -0.0002578800000000 ] - [ 0.0032407400000000, 0.0058905100000000, 0.0022460100000000 ] - [ 0.0007733100000000, -0.0000950100000000, 0.0003130800000000 ] - [ -0.0005201900000000, -0.0015258600000000, -0.0010404200000000 ] - [ 0.0002934500000000, -0.0015155500000000, -0.0010316600000000 ] - [ -0.0017544300000000, 0.0000454600000000, 0.0001941700000000 ] - [ 0.0002374900000000, 0.0002166900000000, -0.0002568900000000 ] - [ -0.0000792700000000, -0.0000154400000000, 0.0000331500000000 ] - [ 0.0001553200000000, -0.0000155900000000, 0.0000333400000000 ] - [ -0.0001921000000000, 0.0001304000000000, 0.0000227900000000 ] - [ 0.0001149300000000, 0.0001255000000000, -0.0000250400000000 ] - [ -0.0000027500000000, -0.0000487100000000, -0.0000580300000000 ] - [ 0.0002252500000000, -0.0000483300000000, -0.0000571900000000 ] - [ 0.0000375900000000, -0.0001612000000000, -0.0002642900000000 ] - [ 0.0000378300000000, 0.0000912500000000, 0.0001781900000000 ] - [ -0.0002316200000000, 0.0001392500000000, -0.0000238600000000 ] - [ 0.0000586700000000, 0.0001390600000000, 0.0000212800000000 ] - [ -0.0001616300000000, 0.0000514400000000, -0.0000502500000000 ] - [ 0.0000854700000000, 0.0000515700000000, -0.0000501200000000 ] - [ 0.0001113300000000, -0.0001982900000000, 0.0002799500000000 ] - [ 0.0001110800000000, 0.0001072400000000, -0.0001672200000000 ] - [ -0.0001120500000000, 0.0001714100000000, -0.0002550600000000 ] - [ -0.0001117200000000, -0.0001047200000000, 0.0001691300000000 ] - [ -0.0000382600000000, 0.0001882200000000, 0.0002826100000000 ] - [ -0.0000380800000000, -0.0000910800000000, -0.0001804800000000 ] - [ 0.0002488500000000, -0.0001383900000000, 0.0000191000000000 ] - [ -0.0000545800000000, -0.0001382800000000, -0.0000249800000000 ] - [ 0.0014802700000000, 0.0000581200000000, -0.0004123300000000 ] - [ -0.0002840000000000, -0.0002462400000000, 0.0002740900000000 ] - [ 0.0001692200000000, -0.0001215700000000, -0.0000241500000000 ] - [ -0.0001193000000000, -0.0001257000000000, 0.0000204900000000 ] - [ -0.0002198600000000, 0.0000363100000000, 0.0000459200000000 ] - [ -0.0000037300000000, 0.0000359900000000, 0.0000454400000000 ] - [ -0.0014832800000000, 0.0005169100000000, -0.0004134800000000 ] - [ 0.0002827600000000, 0.0002069000000000, 0.0002739400000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0005065700000000, 0.0001571600000000, -0.0006671600000000 ] - [ -0.0004267200000000, 0.0001343800000000, 0.0006734500000000 ] - [ -0.0005051500000000, -0.0001101800000000, -0.0006690900000000 ] - [ 0.0004256000000000, -0.0001346800000000, 0.0006744500000000 ] - [ -0.0005681500000000, 0.0001362600000000, -0.0006538400000000 ] - [ 0.0004750800000000, 0.0000859000000000, 0.0006522300000000 ] - [ 0.0005663800000000, -0.0001338200000000, -0.0006584800000000 ] - [ -0.0004728100000000, -0.0001805500000000, 0.0006531700000000 ] - [ 0.0005545100000000, -0.0078453600000000, -0.0369237900000000 ] - [ 0.0004206900000000, -0.0000283700000000, 0.0008589500000000 ] - [ -0.0004172800000000, 0.0002795900000000, -0.0048928100000000 ] - [ -0.0004204800000000, -0.0000270500000000, 0.0008297900000000 ] - [ -0.0002353000000000, 0.0001329600000000, 0.0015834900000000 ] - [ -0.0006073400000000, 0.0001325500000000, 0.0015854500000000 ] - [ 0.0004278600000000, -0.0000247500000000, 0.0068842600000000 ] - [ 0.0004102000000000, -0.0000256300000000, 0.0070093600000000 ] - [ 0.0004204400000000, 0.0000027700000000, -0.0000993400000000 ] - [ 0.0004182400000000, -0.0000007400000000, 0.0000828000000000 ] - [ -0.0004192400000000, -0.0000090700000000, -0.0001000800000000 ] - [ -0.0004199600000000, 0.0000026100000000, 0.0000850700000000 ] - [ -0.0004186900000000, -0.0000032300000000, 0.0000117400000000 ] - [ -0.0004222500000000, -0.0000030900000000, 0.0000103500000000 ] - [ 0.0004291900000000, 0.0000012600000000, 0.0000075300000000 ] - [ 0.0004114200000000, 0.0000009200000000, 0.0000072500000000 ] - [ -0.0152252400000000, 0.0026002800000000, -0.0038066500000000 ] - [ 0.0014354200000000, -0.0001130500000000, 0.0043077200000000 ] - [ 0.0172294500000000, -0.0019374600000000, -0.0039830300000000 ] - [ -0.0014843000000000, 0.0003066700000000, 0.0046037100000000 ] - [ 0.0149337000000000, 0.0027425400000000, -0.0037714500000000 ] - [ -0.0017375600000000, 0.0000201300000000, 0.0043036600000000 ] - [ -0.0169003000000000, -0.0017814500000000, -0.0039152800000000 ] - [ 0.0017857300000000, 0.0004572000000000, 0.0046043700000000 ] - [ 0.0006626900000000, -0.0000995700000000, -0.0005402900000000 ] - [ -0.0007312400000000, -0.0000250800000000, 0.0005387800000000 ] - [ -0.0009227800000000, -0.0001034500000000, -0.0006060300000000 ] - [ 0.0007193800000000, -0.0000341300000000, 0.0006078500000000 ] - [ -0.0009545100000000, 0.0000392900000000, -0.0005376500000000 ] - [ 0.0004442300000000, 0.0001155000000000, 0.0005364000000000 ] - [ 0.0012153900000000, 0.0000370100000000, -0.0006042800000000 ] - [ -0.0004314800000000, 0.0001052600000000, 0.0006057200000000 ] - [ -0.0010807300000000, 0.0009770600000000, -0.0013430900000000 ] - [ 0.0011613000000000, 0.0009761800000000, -0.0013426000000000 ] - [ 0.0074857500000000, 0.0028993000000000, 0.0026276300000000 ] - [ -0.0006931600000000, 0.0000309800000000, -0.0015053000000000 ] - [ 0.0017574500000000, -0.0008653400000000, -0.0016282000000000 ] - [ -0.0015492000000000, -0.0008597100000000, -0.0016300300000000 ] - [ 0.0000354700000000, 0.0034392000000000, 0.0053865900000000 ] - [ 0.0000383900000000, -0.0010874100000000, -0.0018267200000000 ] - [ -0.0056328500000000, 0.0016989900000000, 0.0080833400000000 ] - [ 0.0007453400000000, 0.0002746700000000, -0.0015155300000000 ] - [ 0.0011200800000000, 0.0009000100000000, -0.0012599700000000 ] - [ -0.0011940500000000, 0.0008882400000000, -0.0012475500000000 ] - [ 0.0001179900000000, -0.0043357000000000, 0.0094235400000000 ] - [ 0.0001112500000000, 0.0013132700000000, -0.0020782500000000 ] - [ -0.0001085000000000, -0.0037062400000000, 0.0049564300000000 ] - [ -0.0001101700000000, 0.0013006400000000, -0.0019374000000000 ] - [ -0.0000407400000000, 0.0026492100000000, 0.0041741700000000 ] - [ -0.0000392400000000, -0.0011600800000000, -0.0018918200000000 ] - [ -0.0073842400000000, 0.0025073400000000, 0.0028296500000000 ] - [ 0.0007527300000000, -0.0002286300000000, -0.0015017200000000 ] - [ 0.0025979100000000, -0.0005807300000000, 0.0005636500000000 ] - [ -0.0008721200000000, -0.0002203400000000, -0.0005790900000000 ] - [ 0.0053587600000000, 0.0017559100000000, 0.0084569300000000 ] - [ -0.0007967500000000, 0.0000035300000000, -0.0015160300000000 ] - [ -0.0013652800000000, -0.0014077400000000, -0.0016430400000000 ] - [ 0.0011389200000000, -0.0013953800000000, -0.0016326600000000 ] - [ -0.0025980200000000, -0.0001287100000000, 0.0005586500000000 ] - [ 0.0008740300000000, 0.0002343800000000, -0.0005777400000000 ] - [ 0.0002186500000000, 0.0000219900000000, -0.0000120200000000 ] - [ -0.0001420800000000, 0.0000208400000000, -0.0000098100000000 ] - [ -0.0002472500000000, 0.0001168500000000, 0.0001138200000000 ] - [ 0.0001595600000000, 0.0001269500000000, -0.0001113600000000 ] - [ -0.0000758000000000, -0.0000575000000000, -0.0000650100000000 ] - [ 0.0002986900000000, -0.0000568500000000, -0.0000638200000000 ] - [ 0.0000381600000000, 0.0002882100000000, 0.0004821500000000 ] - [ 0.0000373700000000, -0.0002166800000000, -0.0004295600000000 ] - [ 0.0001785200000000, 0.0001183700000000, 0.0001121800000000 ] - [ -0.0001477900000000, 0.0001269600000000, -0.0001056100000000 ] - [ -0.0002572700000000, 0.0000579000000000, -0.0000520000000000 ] - [ 0.0001814500000000, 0.0000576600000000, -0.0000512400000000 ] - [ 0.0001115600000000, -0.0003695200000000, 0.0005537600000000 ] - [ 0.0001115000000000, 0.0002569200000000, -0.0004141800000000 ] - [ -0.0001116100000000, -0.0002955800000000, 0.0004541600000000 ] - [ -0.0001118900000000, 0.0002396000000000, -0.0003920900000000 ] - [ -0.0000380000000000, 0.0003416500000000, 0.0005520400000000 ] - [ -0.0000377200000000, -0.0002272100000000, -0.0004403300000000 ] - [ 0.0003082900000000, -0.0001503100000000, 0.0001112800000000 ] - [ -0.0000957500000000, -0.0001363800000000, -0.0001117200000000 ] - [ -0.0019056700000000, -0.0005249700000000, 0.0007156700000000 ] - [ 0.0009232100000000, -0.0002611600000000, -0.0005843800000000 ] - [ -0.0002415100000000, -0.0001428000000000, 0.0001125600000000 ] - [ 0.0000853300000000, -0.0001376100000000, -0.0001072700000000 ] - [ 0.0000505000000000, -0.0000310300000000, -0.0000379600000000 ] - [ -0.0002734500000000, -0.0000299700000000, -0.0000363000000000 ] - [ 0.0019097300000000, -0.0000698200000000, 0.0007087800000000 ] - [ -0.0009284700000000, 0.0001910600000000, -0.0005838900000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0021601900000000, -0.0007374800000000, 0.0208535500000000 ] - [ -0.0021601900000000, -0.0007374800000000, -0.0208535500000000 ] - [ -0.0003102800000000, -0.0030250600000000, 0.0000000000000000 ] - [ -0.0044111500000000, 0.0000284400000000, 0.0000000000000000 ] - [ 0.0048051700000000, 0.0001149400000000, -0.0011971900000000 ] - [ 0.0048051700000000, 0.0001149400000000, 0.0011971900000000 ] - [ 0.0062547300000000, -0.0000682900000000, 0.0000000000000000 ] - [ 0.0037034000000000, -0.0002198500000000, 0.0000000000000000 ] - [ 0.0085748800000000, -0.0116653500000000, -0.0151260000000000 ] - [ -0.0015029200000000, -0.0006956600000000, 0.0015860500000000 ] - [ 0.0056573600000000, 0.0161894700000000, -0.0171445800000000 ] - [ -0.0026934800000000, 0.0005835900000000, 0.0016336000000000 ] - [ -0.0026934800000000, 0.0005835900000000, -0.0016336000000000 ] - [ 0.0056573600000000, 0.0161894700000000, 0.0171445800000000 ] - [ -0.0015029200000000, -0.0006956600000000, -0.0015860500000000 ] - [ 0.0085748800000000, -0.0116653500000000, 0.0151260000000000 ] - [ 0.0043181800000000, -0.0005787200000000, 0.0008076500000000 ] - [ 0.0028271200000000, 0.0002894800000000, -0.0005870200000000 ] - [ 0.0034043200000000, 0.0006863500000000, 0.0010678800000000 ] - [ 0.0020659300000000, -0.0002591300000000, -0.0005748500000000 ] - [ 0.0020659300000000, -0.0002591300000000, 0.0005748500000000 ] - [ 0.0034043200000000, 0.0006863500000000, -0.0010678800000000 ] - [ 0.0028271200000000, 0.0002894800000000, 0.0005870200000000 ] - [ 0.0043181800000000, -0.0005787200000000, -0.0008076500000000 ] - [ -0.4158702900000000, 0.0043350600000000, 0.0000000000000000 ] - [ -0.0145045100000000, -0.0013690300000000, 0.0000000000000000 ] - [ 0.0275162800000000, 0.0001606800000000, 0.0000000000000000 ] - [ 0.0017290400000000, -0.0001373800000000, 0.0000000000000000 ] - [ -0.0261519300000000, 0.0117259300000000, -0.0019653600000000 ] - [ -0.0261519300000000, 0.0117259300000000, 0.0019653600000000 ] - [ 0.0145558500000000, 0.0000193900000000, -0.0102169900000000 ] - [ 0.0145558500000000, 0.0000193900000000, 0.0102169900000000 ] - [ 0.0176275500000000, -0.0003777100000000, 0.0000000000000000 ] - [ 0.0111398100000000, -0.0001639700000000, 0.0000000000000000 ] - [ 0.0717287200000000, 0.0057135300000000, 0.0000000000000000 ] - [ 0.0004293800000000, -0.0001443000000000, 0.0000000000000000 ] - [ 0.0143866300000000, 0.0002764700000000, 0.0002190200000000 ] - [ 0.0143866300000000, 0.0002764700000000, -0.0002190200000000 ] - [ 0.0006769100000000, 0.0005394000000000, 0.0187458700000000 ] - [ 0.0006769100000000, 0.0005394000000000, -0.0187458700000000 ] - [ 0.0053657700000000, -0.0014958700000000, -0.0003211500000000 ] - [ 0.0317347100000000, 0.0130773300000000, -0.0144158100000000 ] - [ -0.0075014700000000, -0.0004434600000000, 0.0100940600000000 ] - [ -0.0075014700000000, -0.0004434600000000, -0.0100940600000000 ] - [ -0.0014363800000000, 0.0023242000000000, 0.0028898300000000 ] - [ -0.0051854900000000, -0.0013412100000000, -0.0040083600000000 ] - [ 0.0317347100000000, 0.0130773300000000, 0.0144158100000000 ] - [ 0.0053657700000000, -0.0014958700000000, 0.0003211500000000 ] - [ 0.0128266900000000, 0.0006763300000000, 0.0032094300000000 ] - [ 0.0128266900000000, 0.0006763300000000, -0.0032094300000000 ] - [ -0.0023173100000000, -0.0020431400000000, 0.0027588800000000 ] - [ -0.0043932900000000, 0.0015340200000000, -0.0032769300000000 ] - [ -0.0051854900000000, -0.0013412100000000, 0.0040083600000000 ] - [ -0.0014363800000000, 0.0023242000000000, -0.0028898300000000 ] - [ 0.0309114000000000, -0.0174337800000000, 0.0146835700000000 ] - [ 0.0043754200000000, -0.0000530900000000, -0.0007646700000000 ] - [ -0.0043932900000000, 0.0015340200000000, 0.0032769300000000 ] - [ -0.0023173100000000, -0.0020431400000000, -0.0027588800000000 ] - [ -0.0177360600000000, -0.0017533500000000, 0.0000000000000000 ] - [ 0.0024844200000000, 0.0000078000000000, 0.0000000000000000 ] - [ 0.0132938000000000, -0.0036342600000000, 0.0000000000000000 ] - [ 0.0076541100000000, -0.0003254000000000, 0.0000000000000000 ] - [ 0.2325166000000000, -0.0191914800000000, 0.0000000000000000 ] - [ 0.0075169400000000, -0.0002912600000000, 0.0000000000000000 ] - [ 0.0043754200000000, -0.0000530900000000, 0.0007646700000000 ] - [ 0.0309114000000000, -0.0174337800000000, -0.0146835700000000 ] - [ 0.0129129600000000, 0.0010172600000000, -0.0028469100000000 ] - [ 0.0129129600000000, 0.0010172600000000, 0.0028469100000000 ] - [ -0.0029146800000000, -0.0000061800000000, 0.0000927000000000 ] - [ -0.0036051100000000, 0.0000382400000000, -0.0000559000000000 ] - [ -0.0062146200000000, 0.0006000700000000, -0.0024370900000000 ] - [ -0.0062146200000000, 0.0006000700000000, 0.0024370900000000 ] - [ 0.0004332000000000, -0.0024485300000000, -0.0039428400000000 ] - [ -0.0076693500000000, 0.0090391200000000, 0.0112245200000000 ] - [ -0.0036051100000000, 0.0000382400000000, 0.0000559000000000 ] - [ -0.0029146800000000, -0.0000061800000000, -0.0000927000000000 ] - [ -0.0085042900000000, -0.0002399200000000, -0.0010162900000000 ] - [ -0.0085042900000000, -0.0002399200000000, 0.0010162900000000 ] - [ 0.0009341200000000, 0.0016174000000000, -0.0038396900000000 ] - [ -0.0073520400000000, -0.0101184200000000, 0.0116836500000000 ] - [ -0.0076693500000000, 0.0090391200000000, -0.0112245200000000 ] - [ 0.0004332000000000, -0.0024485300000000, 0.0039428400000000 ] - [ -0.0038557600000000, -0.0000736300000000, -0.0000496300000000 ] - [ -0.0030270100000000, 0.0000057400000000, -0.0000175300000000 ] - [ -0.0073520400000000, -0.0101184200000000, -0.0116836500000000 ] - [ 0.0009341200000000, 0.0016174000000000, 0.0038396900000000 ] - [ -0.0186561700000000, -0.0010771600000000, 0.0000000000000000 ] - [ -0.0039561400000000, -0.0003059600000000, 0.0000000000000000 ] - [ -0.0133358900000000, -0.0003645000000000, 0.0000000000000000 ] - [ -0.0065190000000000, -0.0001050400000000, 0.0000000000000000 ] - [ -0.0103012100000000, 0.0003966600000000, 0.0000000000000000 ] - [ -0.0066855100000000, 0.0001393300000000, 0.0000000000000000 ] - [ -0.0030270100000000, 0.0000057400000000, 0.0000175300000000 ] - [ -0.0038557600000000, -0.0000736300000000, 0.0000496300000000 ] - [ -0.0099355900000000, 0.0001650700000000, 0.0011362200000000 ] - [ -0.0099355900000000, 0.0001650700000000, -0.0011362200000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0021992700000000, 0.0010086400000000, -0.0210623400000000 ] - [ 0.0021992700000000, 0.0010086400000000, 0.0210623400000000 ] - [ 0.0003500200000000, 0.0027677700000000, 0.0000000000000000 ] - [ 0.0044500600000000, -0.0002944200000000, 0.0000000000000000 ] - [ -0.0048108400000000, 0.0001498900000000, 0.0011948200000000 ] - [ -0.0048108400000000, 0.0001498900000000, -0.0011948200000000 ] - [ -0.0062614000000000, -0.0001965200000000, 0.0000000000000000 ] - [ -0.0037104300000000, -0.0000456700000000, 0.0000000000000000 ] - [ -0.0076510400000000, 0.0115810000000000, 0.0150333000000000 ] - [ 0.0023326400000000, 0.0006906600000000, -0.0015869700000000 ] - [ -0.0064039200000000, -0.0160262500000000, 0.0169849500000000 ] - [ 0.0018374000000000, -0.0005803300000000, -0.0016349800000000 ] - [ 0.0018374000000000, -0.0005803300000000, 0.0016349800000000 ] - [ -0.0064039200000000, -0.0160262500000000, -0.0169849500000000 ] - [ 0.0023326400000000, 0.0006906600000000, 0.0015869700000000 ] - [ -0.0076510400000000, 0.0115810000000000, -0.0150333000000000 ] - [ -0.0034942400000000, 0.0005786800000000, -0.0008102300000000 ] - [ -0.0019898300000000, -0.0002906800000000, 0.0005899000000000 ] - [ -0.0042500300000000, -0.0006871500000000, -0.0010715900000000 ] - [ -0.0029105900000000, 0.0002599800000000, 0.0005769700000000 ] - [ -0.0029105900000000, 0.0002599800000000, -0.0005769700000000 ] - [ -0.0042500300000000, -0.0006871500000000, 0.0010715900000000 ] - [ -0.0019898300000000, -0.0002906800000000, -0.0005899000000000 ] - [ -0.0034942400000000, 0.0005786800000000, 0.0008102300000000 ] - [ 0.4040126800000000, -0.0033679600000000, 0.0000000000000000 ] - [ 0.0142353400000000, 0.0012557400000000, 0.0000000000000000 ] - [ -0.0271784100000000, -0.0003008900000000, 0.0000000000000000 ] - [ -0.0014606900000000, -0.0000038000000000, 0.0000000000000000 ] - [ 0.0259877700000000, -0.0116708000000000, 0.0021488800000000 ] - [ 0.0259877700000000, -0.0116708000000000, -0.0021488800000000 ] - [ -0.0142491200000000, 0.0001195400000000, 0.0102074700000000 ] - [ -0.0142491200000000, 0.0001195400000000, -0.0102074700000000 ] - [ -0.0179551800000000, 0.0002367300000000, 0.0000000000000000 ] - [ -0.0114609600000000, 0.0000209600000000, 0.0000000000000000 ] - [ -0.0718769200000000, -0.0059036700000000, 0.0000000000000000 ] - [ -0.0000965800000000, -0.0000021000000000, 0.0000000000000000 ] - [ -0.0147101100000000, -0.0001348900000000, -0.0002215400000000 ] - [ -0.0147101100000000, -0.0001348900000000, 0.0002215400000000 ] - [ -0.0003311100000000, -0.0004094200000000, -0.0188356500000000 ] - [ -0.0003311100000000, -0.0004094200000000, 0.0188356500000000 ] - [ -0.0053165600000000, 0.0015067100000000, 0.0003037100000000 ] - [ -0.0313065100000000, -0.0127221200000000, 0.0140497000000000 ] - [ 0.0075195800000000, 0.0007062100000000, -0.0100551400000000 ] - [ 0.0075195800000000, 0.0007062100000000, 0.0100551400000000 ] - [ 0.0016631100000000, -0.0023204500000000, -0.0028866400000000 ] - [ 0.0054032700000000, 0.0013398700000000, 0.0040068600000000 ] - [ -0.0313065100000000, -0.0127221200000000, -0.0140497000000000 ] - [ -0.0053165600000000, 0.0015067100000000, -0.0003037100000000 ] - [ -0.0127932600000000, -0.0003801800000000, -0.0032289300000000 ] - [ -0.0127932600000000, -0.0003801800000000, 0.0032289300000000 ] - [ 0.0022419200000000, 0.0020407700000000, -0.0027553000000000 ] - [ 0.0043158000000000, -0.0015322200000000, 0.0032747000000000 ] - [ 0.0054032700000000, 0.0013398700000000, -0.0040068600000000 ] - [ 0.0016631100000000, -0.0023204500000000, 0.0028866400000000 ] - [ -0.0308732700000000, 0.0168470300000000, -0.0141255500000000 ] - [ -0.0046120100000000, 0.0000090200000000, 0.0008247200000000 ] - [ 0.0043158000000000, -0.0015322200000000, -0.0032747000000000 ] - [ 0.0022419200000000, 0.0020407700000000, 0.0027553000000000 ] - [ 0.0177251300000000, 0.0014712200000000, 0.0000000000000000 ] - [ -0.0024198200000000, -0.0002721300000000, 0.0000000000000000 ] - [ -0.0179351400000000, 0.0038041200000000, 0.0000000000000000 ] - [ -0.0077063100000000, -0.0001327500000000, 0.0000000000000000 ] - [ -0.2179008000000000, 0.0176161200000000, 0.0000000000000000 ] - [ -0.0075322700000000, 0.0000192400000000, 0.0000000000000000 ] - [ -0.0046120100000000, 0.0000090200000000, -0.0008247200000000 ] - [ -0.0308732700000000, 0.0168470300000000, 0.0141255500000000 ] - [ -0.0129919100000000, -0.0005418500000000, 0.0028673200000000 ] - [ -0.0129919100000000, -0.0005418500000000, -0.0028673200000000 ] - [ 0.0029989300000000, 0.0000057400000000, -0.0000918800000000 ] - [ 0.0036886400000000, -0.0000381600000000, 0.0000554700000000 ] - [ 0.0062412600000000, -0.0003289400000000, 0.0024477600000000 ] - [ 0.0062412600000000, -0.0003289400000000, -0.0024477600000000 ] - [ -0.0002224100000000, 0.0024590800000000, 0.0039615800000000 ] - [ 0.0079340100000000, -0.0090671300000000, -0.0112560800000000 ] - [ 0.0036886400000000, -0.0000381600000000, -0.0000554700000000 ] - [ 0.0029989300000000, 0.0000057400000000, 0.0000918800000000 ] - [ 0.0084836100000000, 0.0005062700000000, 0.0010192800000000 ] - [ 0.0084836100000000, 0.0005062700000000, -0.0010192800000000 ] - [ -0.0010283600000000, -0.0016197700000000, 0.0038539500000000 ] - [ 0.0073339100000000, 0.0101721200000000, -0.0117445200000000 ] - [ 0.0079340100000000, -0.0090671300000000, 0.0112560800000000 ] - [ -0.0002224100000000, 0.0024590800000000, -0.0039615800000000 ] - [ 0.0036398100000000, 0.0000732100000000, 0.0000504200000000 ] - [ 0.0028111500000000, -0.0000055500000000, 0.0000161600000000 ] - [ 0.0073339100000000, 0.0101721200000000, 0.0117445200000000 ] - [ -0.0010283600000000, -0.0016197700000000, -0.0038539500000000 ] - [ 0.0186461100000000, 0.0008221300000000, 0.0000000000000000 ] - [ 0.0039840000000000, 0.0000388200000000, 0.0000000000000000 ] - [ 0.0133429500000000, -0.0000928800000000, 0.0000000000000000 ] - [ 0.0065347600000000, -0.0003510900000000, 0.0000000000000000 ] - [ 0.0102879500000000, -0.0006616800000000, 0.0000000000000000 ] - [ 0.0066600400000000, -0.0004076900000000, 0.0000000000000000 ] - [ 0.0028111500000000, -0.0000055500000000, -0.0000161600000000 ] - [ 0.0036398100000000, 0.0000732100000000, -0.0000504200000000 ] - [ 0.0099460100000000, 0.0002916800000000, -0.0011340000000000 ] - [ 0.0099460100000000, 0.0002916800000000, 0.0011340000000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006290400000000, -0.0102915200000000, -0.0007651000000000 ] - [ 0.0006290400000000, -0.0102915200000000, 0.0007651000000000 ] - [ 0.0002944000000000, 0.0348844000000000, 0.0000000000000000 ] - [ 0.0002211500000000, 0.0005948500000000, 0.0000000000000000 ] - [ -0.0000998400000000, 0.0001443400000000, 0.0000412100000000 ] - [ -0.0000998400000000, 0.0001443400000000, -0.0000412100000000 ] - [ -0.0001887100000000, -0.0001593200000000, 0.0000000000000000 ] - [ -0.0000463400000000, -0.0001230500000000, 0.0000000000000000 ] - [ -0.0052441500000000, 0.0014695600000000, 0.0026812500000000 ] - [ 0.0003325100000000, 0.0000568300000000, -0.0000449000000000 ] - [ 0.0101757700000000, -0.0007628800000000, -0.0018603900000000 ] - [ 0.0002265700000000, 0.0001850200000000, 0.0003831600000000 ] - [ 0.0002265700000000, 0.0001850200000000, -0.0003831600000000 ] - [ 0.0101757700000000, -0.0007628800000000, 0.0018603900000000 ] - [ 0.0003325100000000, 0.0000568300000000, 0.0000449000000000 ] - [ -0.0052441500000000, 0.0014695600000000, -0.0026812500000000 ] - [ 0.0003234300000000, 0.0000104300000000, -0.0000323400000000 ] - [ 0.0004485600000000, -0.0000185100000000, 0.0000457600000000 ] - [ -0.0004545100000000, -0.0000221900000000, -0.0000360700000000 ] - [ -0.0004526300000000, 0.0000171200000000, 0.0000371500000000 ] - [ -0.0004526300000000, 0.0000171200000000, -0.0000371500000000 ] - [ -0.0004545100000000, -0.0000221900000000, 0.0000360700000000 ] - [ 0.0004485600000000, -0.0000185100000000, -0.0000457600000000 ] - [ 0.0003234300000000, 0.0000104300000000, 0.0000323400000000 ] - [ 0.0045877100000000, -0.2468129500000000, 0.0000000000000000 ] - [ -0.0014435300000000, -0.0098819600000000, 0.0000000000000000 ] - [ -0.0001015700000000, 0.0005547600000000, 0.0000000000000000 ] - [ 0.0002016600000000, -0.0001308400000000, 0.0000000000000000 ] - [ -0.0118224800000000, 0.0956415100000000, -0.0011751200000000 ] - [ -0.0118224800000000, 0.0956415100000000, 0.0011751200000000 ] - [ 0.0000731600000000, -0.0001399900000000, 0.0004909800000000 ] - [ 0.0000731600000000, -0.0001399900000000, -0.0004909800000000 ] - [ -0.0004718700000000, -0.0000645400000000, 0.0000000000000000 ] - [ -0.0002505300000000, -0.0000809500000000, 0.0000000000000000 ] - [ -0.0056892100000000, -0.0026772400000000, 0.0000000000000000 ] - [ 0.0002283600000000, 0.0011102800000000, 0.0000000000000000 ] - [ -0.0003674700000000, 0.0000836000000000, -0.0000374100000000 ] - [ -0.0003674700000000, 0.0000836000000000, 0.0000374100000000 ] - [ 0.0006119400000000, 0.0005028200000000, -0.0005689200000000 ] - [ 0.0006119400000000, 0.0005028200000000, 0.0005689200000000 ] - [ 0.0015276700000000, -0.0028825400000000, -0.0040931300000000 ] - [ 0.0097959600000000, 0.0122529300000000, -0.0083975200000000 ] - [ -0.0005014900000000, 0.0010497500000000, -0.0003539700000000 ] - [ -0.0005014900000000, 0.0010497500000000, 0.0003539700000000 ] - [ 0.0000685800000000, -0.0000077600000000, -0.0000498600000000 ] - [ 0.0004461100000000, -0.0001230100000000, 0.0001637800000000 ] - [ 0.0097959600000000, 0.0122529300000000, 0.0083975200000000 ] - [ 0.0015276700000000, -0.0028825400000000, 0.0040931300000000 ] - [ -0.0005859200000000, -0.0087543600000000, 0.0005760100000000 ] - [ -0.0005859200000000, -0.0087543600000000, -0.0005760100000000 ] - [ 0.0000104400000000, 0.0000635300000000, -0.0000851300000000 ] - [ 0.0000319300000000, -0.0000250100000000, 0.0001472200000000 ] - [ 0.0004461100000000, -0.0001230100000000, -0.0001637800000000 ] - [ 0.0000685800000000, -0.0000077600000000, 0.0000498600000000 ] - [ 0.0023135400000000, 0.0203500800000000, -0.0164095300000000 ] - [ -0.0001375200000000, -0.0032571800000000, -0.0039962800000000 ] - [ 0.0000319300000000, -0.0000250100000000, -0.0001472200000000 ] - [ 0.0000104400000000, 0.0000635300000000, 0.0000851300000000 ] - [ -0.0009248900000000, -0.0024285700000000, 0.0000000000000000 ] - [ -0.0000749500000000, -0.0001166300000000, 0.0000000000000000 ] - [ -0.0016751900000000, 0.0121509100000000, 0.0000000000000000 ] - [ 0.0002997500000000, -0.0000891600000000, 0.0000000000000000 ] - [ -0.0150686900000000, 0.0186074900000000, 0.0000000000000000 ] - [ -0.0000687500000000, 0.0003241600000000, 0.0000000000000000 ] - [ -0.0001375200000000, -0.0032571800000000, 0.0039962800000000 ] - [ 0.0023135400000000, 0.0203500800000000, 0.0164095300000000 ] - [ 0.0015655000000000, -0.0080907000000000, 0.0007219100000000 ] - [ 0.0015655000000000, -0.0080907000000000, -0.0007219100000000 ] - [ 0.0000839200000000, -0.0000072000000000, 0.0000056500000000 ] - [ 0.0001083500000000, 0.0000026800000000, -0.0000013900000000 ] - [ 0.0002096600000000, -0.0000923200000000, 0.0002052400000000 ] - [ 0.0002096600000000, -0.0000923200000000, -0.0002052400000000 ] - [ -0.0006155600000000, -0.0000829700000000, -0.0003993300000000 ] - [ 0.0005660700000000, -0.0006528500000000, -0.0004546600000000 ] - [ 0.0001083500000000, 0.0000026800000000, 0.0000013900000000 ] - [ 0.0000839200000000, -0.0000072000000000, -0.0000056500000000 ] - [ 0.0000968600000000, 0.0001221500000000, 0.0000509600000000 ] - [ 0.0000968600000000, 0.0001221500000000, -0.0000509600000000 ] - [ 0.0004292000000000, -0.0005404800000000, 0.0005923900000000 ] - [ -0.0004109600000000, 0.0011208400000000, -0.0011529300000000 ] - [ 0.0005660700000000, -0.0006528500000000, 0.0004546600000000 ] - [ -0.0006155600000000, -0.0000829700000000, 0.0003993300000000 ] - [ -0.0000443600000000, -0.0000065000000000, 0.0000163400000000 ] - [ -0.0000705100000000, 0.0000060800000000, -0.0000114300000000 ] - [ -0.0004109600000000, 0.0011208400000000, 0.0011529300000000 ] - [ 0.0004292000000000, -0.0005404800000000, -0.0005923900000000 ] - [ 0.0010789300000000, 0.0003116300000000, 0.0000000000000000 ] - [ -0.0000061500000000, -0.0003218400000000, 0.0000000000000000 ] - [ 0.0001267200000000, -0.0003347300000000, 0.0000000000000000 ] - [ 0.0000574000000000, -0.0002240100000000, 0.0000000000000000 ] - [ 0.0001687400000000, -0.0001412900000000, 0.0000000000000000 ] - [ 0.0000159900000000, -0.0001223400000000, 0.0000000000000000 ] - [ -0.0000705100000000, 0.0000060800000000, 0.0000114300000000 ] - [ -0.0000443600000000, -0.0000065000000000, -0.0000163400000000 ] - [ 0.0000974200000000, 0.0002641700000000, -0.0000345400000000 ] - [ 0.0000974200000000, 0.0002641700000000, 0.0000345400000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006346600000000, 0.0105535700000000, 0.0007346800000000 ] - [ -0.0006346600000000, 0.0105535700000000, -0.0007346800000000 ] - [ -0.0007800000000000, -0.0351239700000000, 0.0000000000000000 ] - [ -0.0001804800000000, -0.0008612300000000, 0.0000000000000000 ] - [ 0.0000880300000000, 0.0001224400000000, -0.0000412800000000 ] - [ 0.0000880300000000, 0.0001224400000000, 0.0000412800000000 ] - [ 0.0001748100000000, -0.0001088200000000, 0.0000000000000000 ] - [ 0.0000347700000000, -0.0001440800000000, 0.0000000000000000 ] - [ 0.0060889500000000, -0.0014232300000000, -0.0026601200000000 ] - [ 0.0005053300000000, -0.0000529900000000, 0.0000477300000000 ] - [ -0.0109061400000000, 0.0007010700000000, 0.0018557900000000 ] - [ -0.0010701300000000, -0.0001896600000000, -0.0003792200000000 ] - [ -0.0010701300000000, -0.0001896600000000, 0.0003792200000000 ] - [ -0.0109061400000000, 0.0007010700000000, -0.0018557900000000 ] - [ 0.0005053300000000, -0.0000529900000000, -0.0000477300000000 ] - [ 0.0060889500000000, -0.0014232300000000, 0.0026601200000000 ] - [ 0.0004994000000000, -0.0000068800000000, 0.0000267500000000 ] - [ 0.0003801700000000, 0.0000176900000000, -0.0000443200000000 ] - [ -0.0003802900000000, 0.0000173000000000, 0.0000309200000000 ] - [ -0.0003896700000000, -0.0000169000000000, -0.0000350100000000 ] - [ -0.0003896700000000, -0.0000169000000000, 0.0000350100000000 ] - [ -0.0003802900000000, 0.0000173000000000, -0.0000309200000000 ] - [ 0.0003801700000000, 0.0000176900000000, 0.0000443200000000 ] - [ 0.0004994000000000, -0.0000068800000000, -0.0000267500000000 ] - [ -0.0030444200000000, 0.2460279000000000, 0.0000000000000000 ] - [ 0.0011818600000000, 0.0097465300000000, 0.0000000000000000 ] - [ 0.0003597200000000, -0.0006979300000000, 0.0000000000000000 ] - [ 0.0000691800000000, -0.0000096400000000, 0.0000000000000000 ] - [ 0.0115732500000000, -0.0954456600000000, 0.0009187500000000 ] - [ 0.0115732500000000, -0.0954456600000000, -0.0009187500000000 ] - [ 0.0001739500000000, 0.0002826100000000, -0.0004799600000000 ] - [ 0.0001739500000000, 0.0002826100000000, 0.0004799600000000 ] - [ 0.0001423200000000, -0.0000767100000000, 0.0000000000000000 ] - [ -0.0000642200000000, -0.0000630000000000, 0.0000000000000000 ] - [ 0.0059267500000000, 0.0025344300000000, 0.0000000000000000 ] - [ 0.0000867800000000, -0.0012497900000000, 0.0000000000000000 ] - [ 0.0000442700000000, 0.0000582800000000, 0.0000337500000000 ] - [ 0.0000442700000000, 0.0000582800000000, -0.0000337500000000 ] - [ -0.0003367800000000, -0.0003495600000000, 0.0005276300000000 ] - [ -0.0003367800000000, -0.0003495600000000, -0.0005276300000000 ] - [ -0.0014738700000000, 0.0029098900000000, 0.0040605200000000 ] - [ -0.0103215700000000, -0.0144348400000000, 0.0108096300000000 ] - [ 0.0005678900000000, -0.0007775900000000, 0.0003282200000000 ] - [ 0.0005678900000000, -0.0007775900000000, -0.0003282200000000 ] - [ 0.0001583000000000, 0.0000027500000000, 0.0000454100000000 ] - [ -0.0002153800000000, 0.0001214900000000, -0.0001627700000000 ] - [ -0.0103215700000000, -0.0144348400000000, -0.0108096300000000 ] - [ -0.0014738700000000, 0.0029098900000000, -0.0040605200000000 ] - [ 0.0005757500000000, 0.0090148500000000, -0.0005425600000000 ] - [ 0.0005757500000000, 0.0090148500000000, 0.0005425600000000 ] - [ -0.0000831400000000, -0.0000594400000000, 0.0000808400000000 ] - [ -0.0001029800000000, 0.0000252100000000, -0.0001459200000000 ] - [ -0.0002153800000000, 0.0001214900000000, 0.0001627700000000 ] - [ 0.0001583000000000, 0.0000027500000000, -0.0000454100000000 ] - [ -0.0025434100000000, -0.0178904400000000, 0.0137523900000000 ] - [ -0.0001034000000000, 0.0032177600000000, 0.0040285400000000 ] - [ -0.0001029800000000, 0.0000252100000000, 0.0001459200000000 ] - [ -0.0000831400000000, -0.0000594400000000, -0.0000808400000000 ] - [ 0.0009611800000000, 0.0021594200000000, 0.0000000000000000 ] - [ 0.0001298700000000, -0.0001469900000000, 0.0000000000000000 ] - [ 0.0025992400000000, -0.0127658400000000, 0.0000000000000000 ] - [ -0.0003535500000000, -0.0003702200000000, 0.0000000000000000 ] - [ 0.0137281700000000, -0.0186117500000000, 0.0000000000000000 ] - [ 0.0000347200000000, -0.0005961200000000, 0.0000000000000000 ] - [ -0.0001034000000000, 0.0032177600000000, -0.0040285400000000 ] - [ -0.0025434100000000, -0.0178904400000000, -0.0137523900000000 ] - [ -0.0015987900000000, 0.0085398100000000, -0.0006643000000000 ] - [ -0.0015987900000000, 0.0085398100000000, 0.0006643000000000 ] - [ 0.0000042700000000, 0.0000073600000000, -0.0000058200000000 ] - [ -0.0000194200000000, -0.0000031800000000, 0.0000009100000000 ] - [ -0.0001540700000000, 0.0003596100000000, -0.0001983800000000 ] - [ -0.0001540700000000, 0.0003596100000000, 0.0001983800000000 ] - [ 0.0008343700000000, 0.0000891700000000, 0.0004137800000000 ] - [ -0.0003333600000000, 0.0006364800000000, 0.0004246900000000 ] - [ -0.0000194200000000, -0.0000031800000000, -0.0000009100000000 ] - [ 0.0000042700000000, 0.0000073600000000, 0.0000058200000000 ] - [ -0.0001202300000000, 0.0001435600000000, -0.0000472800000000 ] - [ -0.0001202300000000, 0.0001435600000000, 0.0000472800000000 ] - [ -0.0005119400000000, 0.0005325700000000, -0.0005746700000000 ] - [ 0.0003260300000000, -0.0011314800000000, 0.0011437300000000 ] - [ -0.0003333600000000, 0.0006364800000000, -0.0004246900000000 ] - [ 0.0008343700000000, 0.0000891700000000, -0.0004137800000000 ] - [ -0.0001675000000000, 0.0000064500000000, -0.0000147300000000 ] - [ -0.0001427100000000, -0.0000069900000000, 0.0000110800000000 ] - [ 0.0003260300000000, -0.0011314800000000, -0.0011437300000000 ] - [ -0.0005119400000000, 0.0005325700000000, 0.0005746700000000 ] - [ -0.0009585800000000, -0.0005952100000000, 0.0000000000000000 ] - [ 0.0000545000000000, 0.0000549900000000, 0.0000000000000000 ] - [ -0.0001060000000000, -0.0001235600000000, 0.0000000000000000 ] - [ -0.0000382700000000, -0.0002341700000000, 0.0000000000000000 ] - [ -0.0001852500000000, -0.0001247000000000, 0.0000000000000000 ] - [ -0.0000474300000000, -0.0001475100000000, 0.0000000000000000 ] - [ -0.0001427100000000, -0.0000069900000000, -0.0000110800000000 ] - [ -0.0001675000000000, 0.0000064500000000, 0.0000147300000000 ] - [ -0.0000733300000000, 0.0001929000000000, 0.0000343600000000 ] - [ -0.0000733300000000, 0.0001929000000000, -0.0000343600000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0245550100000000, -0.0008805300000000, 0.0171687100000000 ] - [ -0.0247700500000000, 0.0011528300000000, 0.0173422200000000 ] - [ 0.0000513600000000, -0.0001271700000000, -0.0311274000000000 ] - [ -0.0000068600000000, -0.0001357500000000, 0.0116488500000000 ] - [ -0.0006637500000000, 0.0001987800000000, 0.0000077800000000 ] - [ 0.0006568900000000, 0.0000694100000000, 0.0000053800000000 ] - [ -0.0000045500000000, -0.0001344900000000, -0.0011444200000000 ] - [ -0.0000024700000000, -0.0001341600000000, 0.0011318800000000 ] - [ -0.0077873200000000, -0.0001604300000000, -0.0037711700000000 ] - [ 0.0030453500000000, 0.0015989300000000, 0.0043036900000000 ] - [ -0.0139254400000000, -0.0007613500000000, -0.0039188300000000 ] - [ 0.0022723500000000, -0.0017042400000000, 0.0046052700000000 ] - [ -0.0030987500000000, 0.0017055700000000, 0.0046032000000000 ] - [ 0.0131514000000000, 0.0007666200000000, -0.0039790500000000 ] - [ -0.0021961200000000, -0.0015992400000000, 0.0043033400000000 ] - [ 0.0086225600000000, 0.0001662100000000, -0.0038116200000000 ] - [ 0.0008724500000000, 0.0002684800000000, -0.0005429600000000 ] - [ -0.0000784700000000, -0.0002659500000000, 0.0005363600000000 ] - [ 0.0000202600000000, -0.0002803100000000, -0.0006070300000000 ] - [ -0.0008492600000000, 0.0002827100000000, 0.0006072900000000 ] - [ 0.0000062800000000, -0.0002833300000000, 0.0006078700000000 ] - [ -0.0008612800000000, 0.0002768100000000, -0.0006029700000000 ] - [ 0.0009128400000000, 0.0002665100000000, 0.0005360800000000 ] - [ -0.0000360000000000, -0.0002654600000000, -0.0005388300000000 ] - [ 0.0009704100000000, -0.0002619400000000, -0.3121821600000000 ] - [ -0.0001414700000000, -0.0000702300000000, 0.0601927100000000 ] - [ 0.0001144600000000, -0.0000741200000000, -0.0073461100000000 ] - [ 0.0001509400000000, -0.0000696000000000, 0.0070665700000000 ] - [ 0.0019184600000000, -0.0009753800000000, 0.0952253300000000 ] - [ -0.0022000400000000, 0.0011174500000000, 0.0953839600000000 ] - [ -0.0100676900000000, 0.0005554000000000, 0.0002246400000000 ] - [ 0.0103560000000000, -0.0004152300000000, 0.0002025800000000 ] - [ -0.0001607900000000, -0.0000710400000000, -0.0016979300000000 ] - [ -0.0001539600000000, -0.0000714100000000, 0.0017223900000000 ] - [ 0.0001539700000000, -0.0000696800000000, -0.0148535000000000 ] - [ 0.0001380800000000, -0.0000686800000000, 0.0143038100000000 ] - [ -0.0003768400000000, 0.0000353000000000, 0.0000021000000000 ] - [ 0.0000636700000000, 0.0001069700000000, 0.0000017500000000 ] - [ 0.0189357700000000, -0.0004756900000000, 0.0003395200000000 ] - [ -0.0186467800000000, 0.0006208500000000, 0.0003206400000000 ] - [ -0.0025135500000000, 0.0156750900000000, -0.0311566200000000 ] - [ -0.0085359900000000, -0.0340703600000000, 0.0460713400000000 ] - [ 0.0099723000000000, -0.0007476300000000, -0.0012594400000000 ] - [ -0.0099298300000000, 0.0010175400000000, -0.0012245100000000 ] - [ 0.0012519600000000, -0.0016977900000000, -0.0026094200000000 ] - [ -0.0010897900000000, 0.0017084000000000, 0.0025919500000000 ] - [ 0.0078190000000000, 0.0313632400000000, 0.0438119200000000 ] - [ 0.0025787300000000, -0.0156549800000000, -0.0311751700000000 ] - [ 0.0148164700000000, 0.0013885300000000, -0.0087728100000000 ] - [ -0.0148291800000000, -0.0011271300000000, -0.0087671700000000 ] - [ 0.0007090400000000, 0.0015071400000000, -0.0023267300000000 ] - [ -0.0007835500000000, -0.0014933600000000, 0.0023126100000000 ] - [ 0.0013185800000000, -0.0016987500000000, 0.0025821000000000 ] - [ -0.0010285800000000, 0.0016936000000000, -0.0026028200000000 ] - [ -0.0027386400000000, -0.0310345500000000, 0.0430433600000000 ] - [ 0.0012065600000000, 0.0187384800000000, -0.0329567200000000 ] - [ 0.0007144700000000, 0.0014860100000000, 0.0023027300000000 ] - [ -0.0007832900000000, -0.0015035500000000, -0.0023212200000000 ] - [ 0.0000540400000000, -0.0001311200000000, 0.0071376300000000 ] - [ 0.0000200100000000, -0.0001325700000000, -0.0053165300000000 ] - [ 0.0004924500000000, -0.0002846100000000, 0.0221162400000000 ] - [ -0.0000004900000000, -0.0002255100000000, -0.0089810300000000 ] - [ -0.0007888000000000, -0.0000519200000000, 0.0244958900000000 ] - [ -0.0000235100000000, -0.0001334600000000, -0.0071456800000000 ] - [ -0.0014331200000000, -0.0187544900000000, -0.0329490800000000 ] - [ 0.0024986200000000, 0.0338983200000000, 0.0453428900000000 ] - [ -0.0234905200000000, 0.0005411900000000, -0.0086743700000000 ] - [ 0.0234806500000000, -0.0000916800000000, -0.0086724000000000 ] - [ 0.0001221900000000, 0.0003613700000000, -0.0006214200000000 ] - [ -0.0000389900000000, -0.0003568600000000, 0.0006159600000000 ] - [ -0.0042585900000000, 0.0002600400000000, -0.0002102200000000 ] - [ 0.0043130100000000, 0.0000054300000000, -0.0002084800000000 ] - [ -0.0026345100000000, -0.0032254700000000, -0.0054463600000000 ] - [ 0.0019350300000000, 0.0030391400000000, 0.0052919300000000 ] - [ 0.0001201800000000, 0.0003559800000000, 0.0006153300000000 ] - [ -0.0000425800000000, -0.0003613500000000, -0.0006209100000000 ] - [ -0.0005966900000000, 0.0000496700000000, 0.0000093800000000 ] - [ 0.0005527700000000, 0.0002134600000000, 0.0000083600000000 ] - [ -0.0033671100000000, 0.0026377600000000, -0.0059604400000000 ] - [ 0.0034319400000000, -0.0023646300000000, 0.0056931100000000 ] - [ -0.0017153000000000, -0.0030450300000000, 0.0052950500000000 ] - [ 0.0028611500000000, 0.0032194600000000, -0.0054411100000000 ] - [ -0.0001134200000000, -0.0003835000000000, 0.0006395400000000 ] - [ -0.0001081800000000, 0.0003895500000000, -0.0006442800000000 ] - [ -0.0035221400000000, 0.0023594900000000, 0.0056757700000000 ] - [ 0.0033020200000000, -0.0026322900000000, -0.0059597900000000 ] - [ 0.0000557200000000, -0.0001374800000000, 0.0020537000000000 ] - [ 0.0000309900000000, -0.0001323700000000, -0.0018601900000000 ] - [ 0.0000117400000000, -0.0002260000000000, 0.0010746300000000 ] - [ 0.0000031700000000, -0.0002267200000000, -0.0010314900000000 ] - [ -0.0000203900000000, -0.0001313500000000, 0.0008869200000000 ] - [ -0.0000227500000000, -0.0001331300000000, -0.0009278000000000 ] - [ -0.0001107500000000, -0.0003901000000000, -0.0006447800000000 ] - [ -0.0001031600000000, 0.0003842800000000, 0.0006395700000000 ] - [ 0.0023302800000000, 0.0000355700000000, -0.0000460900000000 ] - [ -0.0023202800000000, 0.0004176200000000, -0.0000427700000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0062998900000000, -0.0000480200000000, 0.0008982900000000 ] - [ 0.0026194600000000, 0.0000053800000000, -0.0013177600000000 ] - [ 0.0026194600000000, -0.0000053800000000, 0.0013177600000000 ] - [ 0.0062998900000000, 0.0000480200000000, -0.0008982900000000 ] - [ -0.0011944900000000, 0.0001398700000000, -0.0000834000000000 ] - [ -0.0009919800000000, 0.0001267000000000, 0.0000836400000000 ] - [ -0.0009919800000000, -0.0001267000000000, -0.0000836400000000 ] - [ -0.0011944900000000, -0.0001398700000000, 0.0000834000000000 ] - [ -0.0000673800000000, -0.0006002500000000, -0.0011233100000000 ] - [ -0.0000673800000000, 0.0006002500000000, 0.0011233100000000 ] - [ -0.0006857700000000, 0.0008378100000000, -0.0011579300000000 ] - [ -0.0006857700000000, -0.0008378100000000, 0.0011579300000000 ] - [ -0.0011698700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002983600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0040084800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0004817000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0003748300000000, -0.0001165400000000, 0.0001792600000000 ] - [ -0.0003748300000000, 0.0001165400000000, -0.0001792600000000 ] - [ -0.0011313400000000, 0.0001229300000000, 0.0002181000000000 ] - [ -0.0011313400000000, -0.0001229300000000, -0.0002181000000000 ] - [ -0.0013849700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0009467600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0004997300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000804300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0051860600000000, 0.0014337600000000, -0.0025265200000000 ] - [ 0.0312565700000000, 0.0099184100000000, -0.0081277400000000 ] - [ -0.0021242300000000, -0.0001170800000000, -0.0007459000000000 ] - [ -0.0042030800000000, -0.0001364700000000, 0.0007509400000000 ] - [ 0.0312565700000000, -0.0099184100000000, 0.0081277400000000 ] - [ 0.0051860600000000, -0.0014337600000000, 0.0025265200000000 ] - [ -0.0042030800000000, 0.0001364700000000, -0.0007509400000000 ] - [ -0.0021242300000000, 0.0001170800000000, 0.0007459000000000 ] - [ -0.0030993800000000, -0.0000310800000000, 0.0000821100000000 ] - [ -0.0037868000000000, -0.0000071100000000, -0.0000797400000000 ] - [ 0.0011193600000000, -0.0005408500000000, 0.0033210900000000 ] - [ -0.0071852100000000, 0.0002866800000000, -0.0034558700000000 ] - [ -0.0037868000000000, 0.0000071100000000, 0.0000797400000000 ] - [ -0.0030993800000000, 0.0000310800000000, -0.0000821100000000 ] - [ -0.0071852100000000, -0.0002866800000000, 0.0034558700000000 ] - [ 0.0011193600000000, 0.0005408500000000, -0.0033210900000000 ] - [ -0.0639612100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0017523200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0028512700000000, 0.0000439400000000, 0.0006841200000000 ] - [ 0.0010426800000000, 0.0001110700000000, -0.0008028000000000 ] - [ 0.0011562100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005924100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0055686500000000, 0.0014336700000000, 0.0011542300000000 ] - [ -0.0055686500000000, -0.0014336700000000, -0.0011542300000000 ] - [ 0.0036232400000000, -0.0078473300000000, 0.0087863300000000 ] - [ -0.0012170600000000, 0.0002492600000000, -0.0004928600000000 ] - [ 0.0008566300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005441900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0008422600000000, -0.0002904500000000, 0.0005130500000000 ] - [ 0.0008422600000000, 0.0002904500000000, -0.0005130500000000 ] - [ -0.0017668300000000, -0.0074083300000000, 0.0070981200000000 ] - [ -0.0017668300000000, 0.0074083300000000, -0.0070981200000000 ] - [ 0.0007148400000000, 0.0002834200000000, 0.0004634100000000 ] - [ 0.0007148400000000, -0.0002834200000000, -0.0004634100000000 ] - [ 0.0010426800000000, -0.0001110700000000, 0.0008028000000000 ] - [ 0.0028512700000000, -0.0000439400000000, -0.0006841200000000 ] - [ -0.0039265300000000, -0.0000181300000000, -0.0009949400000000 ] - [ 0.0031690100000000, -0.0094264600000000, 0.0097359700000000 ] - [ -0.0012170600000000, -0.0002492600000000, 0.0004928600000000 ] - [ 0.0036232400000000, 0.0078473300000000, -0.0087863300000000 ] - [ -0.0079413700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0013539500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0031690100000000, 0.0094264600000000, -0.0097359700000000 ] - [ -0.0039265300000000, 0.0000181300000000, 0.0009949400000000 ] - [ 0.0008503200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0007158100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0024874900000000, 0.0001947600000000, -0.0004513600000000 ] - [ 0.0009672200000000, -0.0000183500000000, 0.0003825500000000 ] - [ 0.0012618900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0003619600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0007863100000000, -0.0000208200000000, -0.0000283000000000 ] - [ 0.0007863100000000, 0.0000208200000000, 0.0000283000000000 ] - [ 0.0021417200000000, 0.0002457000000000, -0.0001309600000000 ] - [ 0.0016991700000000, 0.0002093800000000, 0.0001591000000000 ] - [ 0.0032170500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0007416300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0017665500000000, 0.0014645300000000, -0.0028930300000000 ] - [ 0.0017665500000000, -0.0014645300000000, 0.0028930300000000 ] - [ 0.0006369800000000, 0.0000206400000000, -0.0000472300000000 ] - [ 0.0006369800000000, -0.0000206400000000, 0.0000472300000000 ] - [ 0.0003436500000000, -0.0006984700000000, -0.0021845300000000 ] - [ 0.0003436500000000, 0.0006984700000000, 0.0021845300000000 ] - [ 0.0009672200000000, 0.0000183500000000, -0.0003825500000000 ] - [ 0.0024874900000000, -0.0001947600000000, 0.0004513600000000 ] - [ 0.0019640400000000, -0.0002387100000000, 0.0000766900000000 ] - [ 0.0025778400000000, -0.0002217800000000, -0.0000802000000000 ] - [ 0.0016991700000000, -0.0002093800000000, -0.0001591000000000 ] - [ 0.0021417200000000, -0.0002457000000000, 0.0001309600000000 ] - [ 0.0007282200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005524900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0025778400000000, 0.0002217800000000, 0.0000802000000000 ] - [ 0.0019640400000000, 0.0002387100000000, -0.0000766900000000 ]- atom: 41 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0065153200000000, 0.0004727000000000, -0.0007378200000000 ] - [ -0.0026457100000000, 0.0002639000000000, 0.0013221900000000 ] - [ -0.0026457100000000, -0.0002639000000000, -0.0013221900000000 ] - [ -0.0065153200000000, -0.0004727000000000, 0.0007378200000000 ] - [ 0.0011971500000000, 0.0001270400000000, 0.0000829300000000 ] - [ 0.0009953000000000, 0.0001402000000000, -0.0000830100000000 ] - [ 0.0009953000000000, -0.0001402000000000, 0.0000830100000000 ] - [ 0.0011971500000000, -0.0001270400000000, -0.0000829300000000 ] - [ 0.0009074400000000, 0.0005980900000000, 0.0011191800000000 ] - [ 0.0009074400000000, -0.0005980900000000, -0.0011191800000000 ] - [ -0.0001413100000000, -0.0008351900000000, 0.0011561500000000 ] - [ -0.0001413100000000, 0.0008351900000000, -0.0011561500000000 ] - [ 0.0003412200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0005329700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0048194300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0003595300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0012147400000000, 0.0001178800000000, -0.0001815600000000 ] - [ 0.0012147400000000, -0.0001178800000000, 0.0001815600000000 ] - [ 0.0002990200000000, -0.0001242300000000, -0.0002206400000000 ] - [ 0.0002990200000000, 0.0001242300000000, 0.0002206400000000 ] - [ 0.0005527200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001089000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0013420300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0009221900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0054973200000000, -0.0015691600000000, 0.0025661800000000 ] - [ -0.0317846500000000, -0.0101864700000000, 0.0082132600000000 ] - [ 0.0024349500000000, -0.0000250100000000, 0.0007459900000000 ] - [ 0.0045078100000000, -0.0000033900000000, -0.0007476400000000 ] - [ -0.0317846500000000, 0.0101864700000000, -0.0082132600000000 ] - [ -0.0054973200000000, 0.0015691600000000, -0.0025661800000000 ] - [ 0.0045078100000000, 0.0000033900000000, 0.0007476400000000 ] - [ 0.0024349500000000, 0.0000250100000000, -0.0007459900000000 ] - [ 0.0028124900000000, -0.0001118000000000, -0.0000828400000000 ] - [ 0.0035050300000000, -0.0001361100000000, 0.0000798000000000 ] - [ -0.0008432800000000, 0.0003991100000000, -0.0033478000000000 ] - [ 0.0075013300000000, -0.0004514500000000, 0.0034985600000000 ] - [ 0.0035050300000000, 0.0001361100000000, -0.0000798000000000 ] - [ 0.0028124900000000, 0.0001118000000000, 0.0000828400000000 ] - [ 0.0075013300000000, 0.0004514500000000, -0.0034985600000000 ] - [ -0.0008432800000000, -0.0003991100000000, 0.0033478000000000 ] - [ 0.0647935700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0018443800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0028081700000000, 0.0002214400000000, -0.0006853200000000 ] - [ -0.0010055100000000, 0.0001545600000000, 0.0007992300000000 ] - [ -0.0009361700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0003737600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0056622900000000, -0.0014504000000000, -0.0012461300000000 ] - [ 0.0056622900000000, 0.0014504000000000, 0.0012461300000000 ] - [ -0.0035899200000000, 0.0079967400000000, -0.0086591500000000 ] - [ 0.0011566400000000, 0.0000153800000000, 0.0004974200000000 ] - [ -0.0009381700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0006250200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0006226300000000, 0.0002907900000000, -0.0005126700000000 ] - [ -0.0006226300000000, -0.0002907900000000, 0.0005126700000000 ] - [ 0.0015640200000000, 0.0074822600000000, -0.0071754900000000 ] - [ 0.0015640200000000, -0.0074822600000000, 0.0071754900000000 ] - [ -0.0007961000000000, -0.0002835200000000, -0.0004626500000000 ] - [ -0.0007961000000000, 0.0002835200000000, 0.0004626500000000 ] - [ -0.0010055100000000, -0.0001545600000000, -0.0007992300000000 ] - [ -0.0028081700000000, -0.0002214400000000, 0.0006853200000000 ] - [ 0.0039633600000000, -0.0004373900000000, 0.0010031300000000 ] - [ -0.0031551200000000, 0.0090488300000000, -0.0098219200000000 ] - [ 0.0011566400000000, -0.0000153800000000, -0.0004974200000000 ] - [ -0.0035899200000000, -0.0079967400000000, 0.0086591500000000 ] - [ 0.0076839500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0011384800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0031551200000000, -0.0090488300000000, 0.0098219200000000 ] - [ 0.0039633600000000, 0.0004373900000000, -0.0010031300000000 ] - [ -0.0007746000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0006406700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0024526700000000, 0.0000702100000000, 0.0004586700000000 ] - [ -0.0009202000000000, 0.0002869400000000, -0.0003824400000000 ] - [ -0.0010416200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005903000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0007101600000000, 0.0000199900000000, 0.0000279400000000 ] - [ -0.0007101600000000, -0.0000199900000000, -0.0000279400000000 ] - [ -0.0021995100000000, 0.0000173500000000, 0.0001319000000000 ] - [ -0.0017504300000000, 0.0000536400000000, -0.0001605200000000 ] - [ -0.0033497200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0006715400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0015542100000000, -0.0014739100000000, 0.0029155700000000 ] - [ -0.0015542100000000, 0.0014739100000000, -0.0029155700000000 ] - [ -0.0008620400000000, -0.0000196600000000, 0.0000472700000000 ] - [ -0.0008620400000000, 0.0000196600000000, -0.0000472700000000 ] - [ -0.0004217000000000, 0.0007005200000000, 0.0022025000000000 ] - [ -0.0004217000000000, -0.0007005200000000, -0.0022025000000000 ] - [ -0.0009202000000000, -0.0002869400000000, 0.0003824400000000 ] - [ -0.0024526700000000, -0.0000702100000000, -0.0004586700000000 ] - [ -0.0019726100000000, -0.0002163100000000, -0.0000761800000000 ] - [ -0.0025858200000000, -0.0002335400000000, 0.0000797100000000 ] - [ -0.0017504300000000, -0.0000536400000000, 0.0001605200000000 ] - [ -0.0021995100000000, -0.0000173500000000, -0.0001319000000000 ] - [ -0.0009532700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0007766000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0025858200000000, 0.0002335400000000, -0.0000797100000000 ] - [ -0.0019726100000000, 0.0002163100000000, 0.0000761800000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0025731800000000, 0.0030110200000000, -0.0031370400000000 ] - [ 0.0015013500000000, 0.0004878500000000, 0.0032170000000000 ] - [ -0.0014903200000000, 0.0002148300000000, 0.0032202800000000 ] - [ 0.0023572400000000, 0.0025527500000000, -0.0033249500000000 ] - [ 0.0001513200000000, 0.0001254200000000, -0.0002217400000000 ] - [ -0.0001260500000000, 0.0001496400000000, 0.0002214200000000 ] - [ 0.0001225100000000, -0.0001175400000000, 0.0002215600000000 ] - [ -0.0001554100000000, -0.0001417900000000, -0.0002218000000000 ] - [ 0.0016022700000000, 0.0011476100000000, 0.0009750700000000 ] - [ -0.0007632300000000, 0.0011551000000000, 0.0009768600000000 ] - [ 0.0010334700000000, -0.0013117500000000, 0.0008956700000000 ] - [ -0.0018783900000000, -0.0013172000000000, 0.0008952300000000 ] - [ -0.0004222500000000, -0.0026006400000000, -0.0026487300000000 ] - [ -0.0004208700000000, 0.0002691300000000, 0.0011609700000000 ] - [ 0.0004469200000000, 0.0032977300000000, -0.0034411200000000 ] - [ 0.0004211500000000, -0.0002324300000000, 0.0010866700000000 ] - [ 0.0002189200000000, -0.0000164400000000, 0.0000207300000000 ] - [ 0.0006177100000000, -0.0000160900000000, 0.0000204600000000 ] - [ -0.0005808500000000, 0.0000506200000000, 0.0000592000000000 ] - [ -0.0002626400000000, 0.0000503700000000, 0.0000588600000000 ] - [ -0.0004226800000000, 0.0001870300000000, -0.0003402900000000 ] - [ -0.0004206900000000, -0.0000917400000000, 0.0002275300000000 ] - [ 0.0004178600000000, -0.0001618700000000, -0.0002897200000000 ] - [ 0.0004183800000000, 0.0000899600000000, 0.0002159200000000 ] - [ -0.0016315000000000, -0.0029387600000000, 0.0156505700000000 ] - [ 0.0131289700000000, 0.0142834400000000, -0.0340723100000000 ] - [ 0.0021794800000000, -0.0000090400000000, 0.0015058700000000 ] - [ -0.0013919500000000, -0.0000943700000000, -0.0014887500000000 ] - [ -0.0126885900000000, 0.0123875400000000, -0.0313567500000000 ] - [ 0.0013713700000000, -0.0028553200000000, 0.0156785400000000 ] - [ 0.0016739700000000, 0.0000435600000000, -0.0014898800000000 ] - [ -0.0019036200000000, 0.0001317400000000, 0.0015031400000000 ] - [ -0.0001553900000000, -0.0000769700000000, 0.0003615300000000 ] - [ -0.0001110800000000, -0.0000680000000000, -0.0003572600000000 ] - [ -0.0014705400000000, -0.0006064600000000, 0.0026405500000000 ] - [ 0.0102815700000000, 0.0010632300000000, -0.0023725700000000 ] - [ -0.0001868600000000, 0.0000723300000000, -0.0003553500000000 ] - [ -0.0001445200000000, 0.0000637000000000, 0.0003608300000000 ] - [ -0.0100074800000000, 0.0011895900000000, -0.0023498100000000 ] - [ 0.0017657100000000, -0.0004674300000000, 0.0026286600000000 ] - [ -0.0004689200000000, -0.1570442500000000, 0.1080573200000000 ] - [ 0.0000322300000000, 0.0055460600000000, -0.0082558300000000 ] - [ -0.0011018700000000, 0.0005277800000000, 0.0014595900000000 ] - [ 0.0018013300000000, 0.0000441400000000, -0.0015990200000000 ] - [ 0.0001137900000000, 0.0003979700000000, 0.0010744600000000 ] - [ 0.0001135100000000, -0.0007122500000000, -0.0009704700000000 ] - [ 0.0014637600000000, -0.0069254000000000, -0.0071584300000000 ] - [ -0.0014203900000000, -0.0070088000000000, -0.0070510900000000 ] - [ -0.0129689000000000, 0.0020164500000000, -0.0030918700000000 ] - [ 0.0012306800000000, 0.0004255200000000, -0.0017517200000000 ] - [ -0.0000364300000000, -0.0004318600000000, 0.0008848900000000 ] - [ -0.0000359900000000, 0.0006307400000000, -0.0008981200000000 ] - [ -0.0003882500000000, -0.0001519600000000, -0.0000511400000000 ] - [ 0.0006152700000000, -0.0001541600000000, -0.0000495400000000 ] - [ 0.0029116300000000, 0.0231609800000000, -0.0184559000000000 ] - [ -0.0031770300000000, 0.0233795700000000, -0.0185560100000000 ] - [ -0.0003199400000000, 0.0000949000000000, 0.0000035200000000 ] - [ 0.0002477400000000, 0.0000963100000000, 0.0000049400000000 ] - [ -0.0017285000000000, -0.0002187600000000, -0.0015954600000000 ] - [ 0.0011625100000000, 0.0002655300000000, 0.0014627100000000 ] - [ 0.0023603700000000, 0.0002290600000000, -0.0017527400000000 ] - [ -0.0186517200000000, 0.0094697900000000, -0.0080676400000000 ] - [ -0.0012943700000000, 0.0001590900000000, -0.0017541600000000 ] - [ 0.0130414100000000, 0.0016507100000000, -0.0030659700000000 ] - [ -0.0000763100000000, 0.0681104700000000, 0.0217689600000000 ] - [ -0.0001157600000000, -0.0034975000000000, -0.0063814200000000 ] - [ 0.0185074200000000, 0.0099437100000000, -0.0080296900000000 ] - [ -0.0023807200000000, 0.0006848300000000, -0.0017500700000000 ] - [ 0.0000386400000000, -0.0001376400000000, 0.0002509700000000 ] - [ 0.0000386400000000, 0.0001512900000000, -0.0002557400000000 ] - [ 0.0017289000000000, 0.0001558800000000, 0.0002882500000000 ] - [ -0.0005624000000000, 0.0002685100000000, -0.0004375100000000 ] - [ 0.0001145500000000, 0.0023457600000000, 0.0024919900000000 ] - [ 0.0001113200000000, -0.0009020800000000, -0.0015079000000000 ] - [ 0.0000189200000000, 0.0000053600000000, -0.0000013400000000 ] - [ 0.0000585600000000, 0.0000062700000000, -0.0000001200000000 ] - [ 0.0001300800000000, 0.0001612700000000, 0.0002045200000000 ] - [ -0.0001729900000000, 0.0001158500000000, -0.0002117400000000 ] - [ -0.0000251200000000, -0.0034081200000000, 0.0029731000000000 ] - [ -0.0000393400000000, 0.0008498800000000, -0.0017377600000000 ] - [ 0.0015912800000000, 0.0015707300000000, -0.0009973400000000 ] - [ -0.0013668200000000, 0.0015699700000000, -0.0009896300000000 ] - [ -0.0000922600000000, -0.0000083700000000, -0.0000066700000000 ] - [ -0.0001298200000000, -0.0000095400000000, -0.0000054000000000 ] - [ 0.0006643400000000, -0.0009808900000000, -0.0003323000000000 ] - [ -0.0007348400000000, -0.0009794500000000, -0.0003201600000000 ] - [ 0.0006270000000000, 0.0000026700000000, -0.0004407900000000 ] - [ -0.0016595900000000, -0.0001102200000000, 0.0002878200000000 ] - [ -0.0004108200000000, -0.0002523100000000, -0.0002172800000000 ] - [ 0.0003203300000000, -0.0001944800000000, 0.0002102400000000 ] - [ 0.0001166000000000, -0.0001465000000000, -0.0002131900000000 ] - [ -0.0001869400000000, -0.0001020500000000, 0.0002044200000000 ] - [ -0.0001110900000000, 0.0001449300000000, 0.0002666900000000 ] - [ -0.0001104400000000, -0.0001647400000000, -0.0002614100000000 ] - [ -0.0003140900000000, 0.0002586900000000, 0.0002100800000000 ] - [ 0.0004187300000000, 0.0002003100000000, -0.0002170000000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0023172300000000, 0.0001580000000000, 0.0096582200000000 ] - [ -0.0029822100000000, 0.0005157800000000, -0.0053512500000000 ] - [ 0.0030216300000000, 0.0002582800000000, -0.0053380200000000 ] - [ -0.0025467700000000, -0.0002840000000000, 0.0094555300000000 ] - [ -0.0002250200000000, 0.0001511800000000, 0.0003647400000000 ] - [ 0.0001889100000000, 0.0001114400000000, -0.0003649400000000 ] - [ -0.0001940400000000, -0.0001559100000000, -0.0003637100000000 ] - [ 0.0002203800000000, -0.0001159700000000, 0.0003635300000000 ] - [ -0.0018434000000000, -0.0009581500000000, -0.0013412000000000 ] - [ 0.0026770700000000, -0.0009580900000000, -0.0013460600000000 ] - [ -0.0026087600000000, 0.0011778300000000, -0.0012513200000000 ] - [ 0.0017643600000000, 0.0011782100000000, -0.0012579600000000 ] - [ -0.0004060900000000, 0.0023609800000000, 0.0041736900000000 ] - [ -0.0004238700000000, -0.0006037900000000, -0.0018926900000000 ] - [ 0.0004522900000000, -0.0025941200000000, 0.0053855100000000 ] - [ 0.0004160700000000, 0.0005271300000000, -0.0018273300000000 ] - [ 0.0008749600000000, 0.0000338400000000, -0.0000111600000000 ] - [ -0.0000405800000000, 0.0000350000000000, -0.0000123700000000 ] - [ -0.0000759000000000, -0.0000508000000000, -0.0000519100000000 ] - [ -0.0007664100000000, -0.0000517800000000, -0.0000532700000000 ] - [ -0.0004229800000000, -0.0002816700000000, 0.0005523100000000 ] - [ -0.0004199900000000, 0.0001814600000000, -0.0004415800000000 ] - [ 0.0004172200000000, 0.0002629600000000, 0.0004818300000000 ] - [ 0.0004190000000000, -0.0001792800000000, -0.0004301700000000 ] - [ -0.0004551400000000, -0.0041990700000000, -0.0311932700000000 ] - [ -0.0140079300000000, -0.0082536600000000, 0.0438532400000000 ] - [ -0.0026221900000000, -0.0001542300000000, -0.0023218600000000 ] - [ 0.0034217700000000, 0.0000776400000000, 0.0023039800000000 ] - [ 0.0144794600000000, -0.0109490300000000, 0.0460238300000000 ] - [ 0.0001670000000000, -0.0039552500000000, -0.0311389500000000 ] - [ -0.0031307400000000, 0.0002158800000000, 0.0023092100000000 ] - [ 0.0028924900000000, -0.0000129400000000, -0.0023296800000000 ] - [ -0.0000600900000000, -0.0000643600000000, -0.0006190300000000 ] - [ -0.0002068300000000, -0.0000720400000000, 0.0006153400000000 ] - [ 0.0040090300000000, 0.0005130200000000, -0.0059452900000000 ] - [ -0.0115888700000000, -0.0012131600000000, 0.0056632700000000 ] - [ -0.0000961300000000, 0.0000686400000000, 0.0006187400000000 ] - [ -0.0002443500000000, 0.0000765500000000, -0.0006214400000000 ] - [ 0.0118406900000000, -0.0010828500000000, 0.0057044500000000 ] - [ -0.0036861100000000, 0.0006540800000000, -0.0059781400000000 ] - [ -0.0005014600000000, 0.1080603000000000, -0.1735690700000000 ] - [ 0.0000288700000000, -0.0082556100000000, 0.0171212200000000 ] - [ 0.0030861900000000, -0.0002858200000000, -0.0019078800000000 ] - [ -0.0023589700000000, 0.0002739000000000, 0.0020935500000000 ] - [ 0.0001123900000000, -0.0009330600000000, -0.0018165700000000 ] - [ 0.0001141100000000, 0.0010146900000000, 0.0014726500000000 ] - [ -0.0011760900000000, 0.0071546400000000, 0.0335527100000000 ] - [ 0.0012241000000000, 0.0070558300000000, 0.0330651900000000 ] - [ 0.0149206700000000, -0.0051995000000000, 0.0004207800000000 ] - [ -0.0024770800000000, 0.0002056400000000, 0.0030475500000000 ] - [ -0.0000372800000000, 0.0008844800000000, -0.0015424400000000 ] - [ -0.0000356300000000, -0.0008998000000000, 0.0013482500000000 ] - [ 0.0008676800000000, 0.0000421700000000, 0.0001703300000000 ] - [ -0.0006410600000000, 0.0000376200000000, 0.0001759600000000 ] - [ -0.0027365100000000, -0.0200872400000000, 0.0231911000000000 ] - [ 0.0024708600000000, -0.0200458300000000, 0.0230536900000000 ] - [ 0.0004267100000000, -0.0000051200000000, 0.0001033100000000 ] - [ -0.0004998300000000, -0.0000013300000000, 0.0001085000000000 ] - [ 0.0024345200000000, 0.0000119800000000, 0.0020875800000000 ] - [ -0.0030389900000000, -0.0005456300000000, -0.0018971100000000 ] - [ -0.0038896500000000, -0.0003886400000000, 0.0041516400000000 ] - [ 0.0184710600000000, -0.0098273200000000, 0.0022234200000000 ] - [ 0.0024395000000000, -0.0000541700000000, 0.0030404600000000 ] - [ -0.0148386700000000, -0.0054764600000000, 0.0005187900000000 ] - [ -0.0001322800000000, -0.0224626600000000, -0.0265782800000000 ] - [ -0.0001167100000000, 0.0072974200000000, 0.0124548000000000 ] - [ -0.0185510800000000, -0.0093986100000000, 0.0021472700000000 ] - [ 0.0038385400000000, 0.0000614400000000, 0.0041619200000000 ] - [ 0.0000393800000000, 0.0002523400000000, -0.0004414700000000 ] - [ 0.0000392600000000, -0.0002548800000000, 0.0004317900000000 ] - [ -0.0022156900000000, 0.0001550600000000, -0.0006942000000000 ] - [ 0.0012325000000000, -0.0000115600000000, 0.0007843700000000 ] - [ 0.0001172200000000, -0.0027579900000000, -0.0049142300000000 ] - [ 0.0001067000000000, 0.0019777300000000, 0.0033880000000000 ] - [ 0.0000670900000000, -0.0000011100000000, 0.0000020400000000 ] - [ 0.0000115500000000, 0.0000004600000000, 0.0000043800000000 ] - [ -0.0003151500000000, 0.0000805100000000, -0.0003650200000000 ] - [ 0.0002844900000000, 0.0001676600000000, 0.0003714900000000 ] - [ -0.0000204500000000, 0.0029721500000000, -0.0057226400000000 ] - [ -0.0000438800000000, -0.0017389900000000, 0.0035634100000000 ] - [ -0.0026220200000000, -0.0006861100000000, 0.0015481700000000 ] - [ 0.0028513500000000, -0.0006974200000000, 0.0015713800000000 ] - [ -0.0001468100000000, 0.0000043400000000, 0.0000086000000000 ] - [ -0.0000739200000000, 0.0000024700000000, 0.0000110600000000 ] - [ -0.0022303500000000, 0.0003235000000000, 0.0009494200000000 ] - [ 0.0021569000000000, 0.0003309400000000, 0.0009745300000000 ] - [ -0.0011771300000000, -0.0002771300000000, 0.0007791000000000 ] - [ 0.0022872200000000, -0.0001105000000000, -0.0006898800000000 ] - [ 0.0005934700000000, -0.0001863100000000, 0.0003416900000000 ] - [ -0.0006814400000000, -0.0002984100000000, -0.0003351700000000 ] - [ -0.0003372700000000, -0.0000942500000000, 0.0003687900000000 ] - [ 0.0002638800000000, -0.0001828900000000, -0.0003637100000000 ] - [ -0.0001102600000000, -0.0002704700000000, -0.0004695100000000 ] - [ -0.0001099900000000, 0.0002786300000000, 0.0004469000000000 ] - [ 0.0006870000000000, 0.0001548800000000, -0.0003362900000000 ] - [ -0.0005827200000000, 0.0002663400000000, 0.0003428100000000 ]- atom: 43 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0043376500000000, 0.0000484000000000, 0.0000000000000000 ] - [ -0.0019351600000000, 0.0002170800000000, 0.0000000000000000 ] - [ -0.0028962700000000, -0.0000907400000000, 0.0011985400000000 ] - [ -0.0028962700000000, -0.0000907400000000, -0.0011985400000000 ] - [ -0.0023157600000000, 0.0007597300000000, 0.0000000000000000 ] - [ 0.0000689800000000, 0.0000534300000000, 0.0000000000000000 ] - [ -0.0011606900000000, -0.0000315100000000, -0.0039564800000000 ] - [ -0.0011606900000000, -0.0000315100000000, 0.0039564800000000 ] - [ 0.0081975300000000, -0.0069310300000000, 0.0074974400000000 ] - [ 0.0032031500000000, -0.0006775000000000, -0.0007273000000000 ] - [ 0.0048913400000000, 0.0034379900000000, 0.0055967000000000 ] - [ 0.0020994300000000, 0.0008007600000000, -0.0007750000000000 ] - [ 0.0048913400000000, 0.0034379900000000, -0.0055967000000000 ] - [ 0.0020994300000000, 0.0008007600000000, 0.0007750000000000 ] - [ 0.0081975300000000, -0.0069310300000000, -0.0074974400000000 ] - [ 0.0032031500000000, -0.0006775000000000, 0.0007273000000000 ] - [ -0.0016067100000000, -0.0002215000000000, -0.0002796000000000 ] - [ -0.0012381000000000, 0.0000851900000000, 0.0001287900000000 ] - [ -0.0024499900000000, 0.0002008300000000, -0.0002123900000000 ] - [ -0.0020678800000000, -0.0000889100000000, 0.0001187800000000 ] - [ -0.0024499900000000, 0.0002008300000000, 0.0002123900000000 ] - [ -0.0020678800000000, -0.0000889100000000, -0.0001187800000000 ] - [ -0.0016067100000000, -0.0002215000000000, 0.0002796000000000 ] - [ -0.0012381000000000, 0.0000851900000000, -0.0001287900000000 ] - [ -0.0076873800000000, -0.0006022500000000, 0.0099540500000000 ] - [ -0.0076873800000000, -0.0006022500000000, -0.0099540500000000 ] - [ 0.0130038100000000, 0.0005037100000000, -0.0148434800000000 ] - [ 0.0130038100000000, 0.0005037100000000, 0.0148434800000000 ] - [ -0.0179373900000000, 0.0010054300000000, 0.0000000000000000 ] - [ 0.0023101400000000, 0.0001749800000000, 0.0000000000000000 ] - [ 0.2323226600000000, -0.0149931300000000, 0.0000000000000000 ] - [ 0.0076889600000000, 0.0000200100000000, 0.0000000000000000 ] - [ -0.0063710000000000, 0.0001117300000000, -0.0043112700000000 ] - [ -0.0063710000000000, 0.0001117300000000, 0.0043112700000000 ] - [ -0.0083783800000000, -0.0001796300000000, 0.0005723200000000 ] - [ -0.0083783800000000, -0.0001796300000000, -0.0005723200000000 ] - [ -0.0188925700000000, -0.0009523300000000, 0.0000000000000000 ] - [ -0.0041115800000000, 0.0001019400000000, 0.0000000000000000 ] - [ -0.0101823200000000, 0.0002485500000000, 0.0000000000000000 ] - [ -0.0065543800000000, 0.0001026000000000, 0.0000000000000000 ] - [ 0.0028742700000000, -0.0011375300000000, 0.0030640700000000 ] - [ 0.0010691500000000, 0.0017688400000000, -0.0024001500000000 ] - [ -0.3018716100000000, 0.0317895100000000, 0.0000000000000000 ] - [ -0.0065567800000000, 0.0003139800000000, 0.0000000000000000 ] - [ 0.0004578800000000, -0.0157384700000000, -0.0158011500000000 ] - [ -0.0016342800000000, 0.0016801900000000, 0.0025727800000000 ] - [ 0.0028742700000000, -0.0011375300000000, -0.0030640700000000 ] - [ 0.0010691500000000, 0.0017688400000000, 0.0024001500000000 ] - [ 0.0084562000000000, 0.0011008900000000, 0.0000000000000000 ] - [ -0.0043214400000000, -0.0000355700000000, 0.0000000000000000 ] - [ 0.0035432900000000, 0.0130907200000000, -0.0149700200000000 ] - [ -0.0012326500000000, -0.0012630700000000, 0.0024633200000000 ] - [ 0.0004578800000000, -0.0157384700000000, 0.0158011500000000 ] - [ -0.0016342800000000, 0.0016801900000000, -0.0025727800000000 ] - [ 0.0041496000000000, 0.0005190200000000, -0.0041190400000000 ] - [ 0.0002487900000000, -0.0019671500000000, 0.0024880500000000 ] - [ 0.0035432900000000, 0.0130907200000000, 0.0149700200000000 ] - [ -0.0012326500000000, -0.0012630700000000, -0.0024633200000000 ] - [ -0.0118762300000000, -0.0017548600000000, -0.0012574500000000 ] - [ -0.0118762300000000, -0.0017548600000000, 0.0012574500000000 ] - [ 0.0055988800000000, -0.0000956800000000, -0.0011192600000000 ] - [ 0.0055988800000000, -0.0000956800000000, 0.0011192600000000 ] - [ 0.0018949400000000, 0.0007488800000000, -0.0094763100000000 ] - [ 0.0018949400000000, 0.0007488800000000, 0.0094763100000000 ] - [ 0.0041496000000000, 0.0005190200000000, 0.0041190400000000 ] - [ 0.0002487900000000, -0.0019671500000000, -0.0024880500000000 ] - [ 0.0080694600000000, 0.0002456400000000, 0.0000000000000000 ] - [ 0.0030839400000000, 0.0001191600000000, 0.0000000000000000 ] - [ 0.0025175700000000, 0.0017083300000000, -0.0022659900000000 ] - [ 0.0009811200000000, -0.0005974300000000, 0.0012093400000000 ] - [ 0.0056798400000000, -0.0001486400000000, 0.0000000000000000 ] - [ 0.0042802400000000, -0.0000615200000000, 0.0000000000000000 ] - [ 0.0022929100000000, 0.0001839000000000, 0.0002334600000000 ] - [ 0.0018447900000000, -0.0001605600000000, -0.0002580300000000 ] - [ 0.0025175700000000, 0.0017083300000000, 0.0022659900000000 ] - [ 0.0009811200000000, -0.0005974300000000, -0.0012093400000000 ] - [ 0.0083749600000000, 0.0003206900000000, 0.0000000000000000 ] - [ 0.0035938400000000, 0.0003106700000000, 0.0000000000000000 ] - [ 0.0021380600000000, -0.0001590600000000, 0.0002891800000000 ] - [ 0.0016896500000000, 0.0001448100000000, -0.0003102100000000 ] - [ 0.0022929100000000, 0.0001839000000000, -0.0002334600000000 ] - [ 0.0018447900000000, -0.0001605600000000, 0.0002580300000000 ] - [ 0.0026742200000000, -0.0018370200000000, 0.0024636400000000 ] - [ 0.0009926100000000, 0.0007181200000000, -0.0011616200000000 ] - [ 0.0021380600000000, -0.0001590600000000, -0.0002891800000000 ] - [ 0.0016896500000000, 0.0001448100000000, 0.0003102100000000 ] - [ 0.0049824100000000, 0.0000883500000000, 0.0001811600000000 ] - [ 0.0049824100000000, 0.0000883500000000, -0.0001811600000000 ] - [ 0.0013297100000000, -0.0005803700000000, 0.0026319900000000 ] - [ 0.0013297100000000, -0.0005803700000000, -0.0026319900000000 ] - [ 0.0044301300000000, -0.0003969800000000, 0.0005586100000000 ] - [ 0.0044301300000000, -0.0003969800000000, -0.0005586100000000 ] - [ 0.0026742200000000, -0.0018370200000000, -0.0024636400000000 ] - [ 0.0009926100000000, 0.0007181200000000, 0.0011616200000000 ] - [ 0.0386965400000000, -0.0036588400000000, 0.0000000000000000 ] - [ -0.0006204600000000, 0.0003571800000000, 0.0000000000000000 ]- atom: 43 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0043257400000000, 0.0002163900000000, 0.0000000000000000 ] - [ 0.0019221100000000, 0.0000478200000000, 0.0000000000000000 ] - [ 0.0028815700000000, -0.0001745300000000, -0.0011967500000000 ] - [ 0.0028815700000000, -0.0001745300000000, 0.0011967500000000 ] - [ 0.0023352400000000, -0.0004832700000000, 0.0000000000000000 ] - [ -0.0000579500000000, 0.0002110900000000, 0.0000000000000000 ] - [ 0.0011746100000000, -0.0002317300000000, 0.0039183900000000 ] - [ 0.0011746100000000, -0.0002317300000000, -0.0039183900000000 ] - [ -0.0074113500000000, 0.0068106900000000, -0.0073736600000000 ] - [ -0.0023572400000000, 0.0006748400000000, 0.0007178700000000 ] - [ -0.0058359900000000, -0.0032696900000000, -0.0053978600000000 ] - [ -0.0029309000000000, -0.0007977400000000, 0.0007659400000000 ] - [ -0.0058359900000000, -0.0032696900000000, 0.0053978600000000 ] - [ -0.0029309000000000, -0.0007977400000000, -0.0007659400000000 ] - [ -0.0074113500000000, 0.0068106900000000, 0.0073736600000000 ] - [ -0.0023572400000000, 0.0006748400000000, -0.0007178700000000 ] - [ 0.0024349600000000, 0.0002191900000000, 0.0002764200000000 ] - [ 0.0020727400000000, -0.0000848000000000, -0.0001268600000000 ] - [ 0.0015996800000000, -0.0001987700000000, 0.0002090100000000 ] - [ 0.0012173100000000, 0.0000882600000000, -0.0001165600000000 ] - [ 0.0015996800000000, -0.0001987700000000, -0.0002090100000000 ] - [ 0.0012173100000000, 0.0000882600000000, 0.0001165600000000 ] - [ 0.0024349600000000, 0.0002191900000000, -0.0002764200000000 ] - [ 0.0020727400000000, -0.0000848000000000, 0.0001268600000000 ] - [ 0.0073021300000000, 0.0004657100000000, -0.0099481300000000 ] - [ 0.0073021300000000, 0.0004657100000000, 0.0099481300000000 ] - [ -0.0125812400000000, -0.0006597500000000, 0.0148029900000000 ] - [ -0.0125812400000000, -0.0006597500000000, -0.0148029900000000 ] - [ 0.0174917600000000, -0.0008780300000000, 0.0000000000000000 ] - [ -0.0026277800000000, -0.0000298700000000, 0.0000000000000000 ] - [ -0.2180458700000000, 0.0138279900000000, 0.0000000000000000 ] - [ -0.0073291500000000, 0.0001249800000000, 0.0000000000000000 ] - [ 0.0060551100000000, -0.0002547600000000, 0.0042574300000000 ] - [ 0.0060551100000000, -0.0002547600000000, -0.0042574300000000 ] - [ 0.0086406200000000, 0.0000358000000000, -0.0005758500000000 ] - [ 0.0086406200000000, 0.0000358000000000, 0.0005758500000000 ] - [ 0.0183868300000000, 0.0010877100000000, 0.0000000000000000 ] - [ 0.0037969700000000, 0.0000425200000000, 0.0000000000000000 ] - [ 0.0104358000000000, -0.0001039900000000, 0.0000000000000000 ] - [ 0.0068251200000000, 0.0000407200000000, 0.0000000000000000 ] - [ -0.0027816800000000, 0.0011269600000000, -0.0030603900000000 ] - [ -0.0009789000000000, -0.0017615300000000, 0.0023922400000000 ] - [ 0.2877847600000000, -0.0302763800000000, 0.0000000000000000 ] - [ 0.0065649600000000, -0.0000478200000000, 0.0000000000000000 ] - [ -0.0003890000000000, 0.0156007500000000, 0.0156590000000000 ] - [ 0.0018375200000000, -0.0016728800000000, -0.0025654100000000 ] - [ -0.0027816800000000, 0.0011269600000000, 0.0030603900000000 ] - [ -0.0009789000000000, -0.0017615300000000, -0.0023922400000000 ] - [ -0.0083434000000000, -0.0008249000000000, 0.0000000000000000 ] - [ 0.0042765700000000, 0.0003026800000000, 0.0000000000000000 ] - [ -0.0036736500000000, -0.0129186800000000, 0.0147920000000000 ] - [ 0.0011369200000000, 0.0012595900000000, -0.0024550300000000 ] - [ -0.0003890000000000, 0.0156007500000000, -0.0156590000000000 ] - [ 0.0018375200000000, -0.0016728800000000, 0.0025654100000000 ] - [ -0.0043639200000000, -0.0004998700000000, 0.0041239700000000 ] - [ -0.0004604100000000, 0.0019579300000000, -0.0024793000000000 ] - [ -0.0036736500000000, -0.0129186800000000, -0.0147920000000000 ] - [ 0.0011369200000000, 0.0012595900000000, 0.0024550300000000 ] - [ 0.0118369400000000, 0.0014760800000000, 0.0012316200000000 ] - [ 0.0118369400000000, 0.0014760800000000, -0.0012316200000000 ] - [ -0.0055625400000000, -0.0003612900000000, 0.0011167800000000 ] - [ -0.0055625400000000, -0.0003612900000000, -0.0011167800000000 ] - [ -0.0018546500000000, -0.0010107100000000, 0.0094305400000000 ] - [ -0.0018546500000000, -0.0010107100000000, -0.0094305400000000 ] - [ -0.0043639200000000, -0.0004998700000000, -0.0041239700000000 ] - [ -0.0004604100000000, 0.0019579300000000, 0.0024793000000000 ] - [ -0.0080195900000000, 0.0002123200000000, 0.0000000000000000 ] - [ -0.0030618100000000, 0.0003361000000000, 0.0000000000000000 ] - [ -0.0024203700000000, -0.0016815600000000, 0.0022345600000000 ] - [ -0.0009026800000000, 0.0005926000000000, -0.0011981800000000 ] - [ -0.0056092000000000, 0.0004176800000000, 0.0000000000000000 ] - [ -0.0042148400000000, 0.0003260800000000, 0.0000000000000000 ] - [ -0.0020614900000000, -0.0001838100000000, -0.0002339700000000 ] - [ -0.0016166800000000, 0.0001610600000000, 0.0002585400000000 ] - [ -0.0024203700000000, -0.0016815600000000, -0.0022345600000000 ] - [ -0.0009026800000000, 0.0005926000000000, 0.0011981800000000 ] - [ -0.0083357100000000, -0.0000596600000000, 0.0000000000000000 ] - [ -0.0036199000000000, -0.0000434600000000, 0.0000000000000000 ] - [ -0.0022065600000000, 0.0001588400000000, -0.0002892400000000 ] - [ -0.0017604300000000, -0.0001451700000000, 0.0003106400000000 ] - [ -0.0020614900000000, -0.0001838100000000, 0.0002339700000000 ] - [ -0.0016166800000000, 0.0001610600000000, -0.0002585400000000 ] - [ -0.0028711000000000, 0.0018098800000000, -0.0024286500000000 ] - [ -0.0012110700000000, -0.0007114800000000, 0.0011502000000000 ] - [ -0.0022065600000000, 0.0001588400000000, 0.0002892400000000 ] - [ -0.0017604300000000, -0.0001451700000000, -0.0003106400000000 ] - [ -0.0049147200000000, -0.0003555700000000, -0.0001801100000000 ] - [ -0.0049147200000000, -0.0003555700000000, 0.0001801100000000 ] - [ -0.0013598400000000, 0.0001237900000000, -0.0026209100000000 ] - [ -0.0013598400000000, 0.0001237900000000, 0.0026209100000000 ] - [ -0.0044509700000000, 0.0001303900000000, -0.0005508000000000 ] - [ -0.0044509700000000, 0.0001303900000000, 0.0005508000000000 ] - [ -0.0028711000000000, 0.0018098800000000, 0.0024286500000000 ] - [ -0.0012110700000000, -0.0007114800000000, -0.0011502000000000 ] - [ -0.0379457000000000, 0.0040187700000000, 0.0000000000000000 ] - [ 0.0005995900000000, 0.0000984100000000, 0.0000000000000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002507900000000, 0.0002687500000000, 0.0000000000000000 ] - [ 0.0000593400000000, 0.0001256800000000, 0.0000000000000000 ] - [ 0.0001643700000000, -0.0001943000000000, -0.0001271900000000 ] - [ 0.0001643700000000, -0.0001943000000000, 0.0001271900000000 ] - [ -0.0000501100000000, -0.0015594800000000, 0.0000000000000000 ] - [ -0.0000458500000000, 0.0001270100000000, 0.0000000000000000 ] - [ 0.0000914700000000, 0.0008535400000000, 0.0001856000000000 ] - [ 0.0000914700000000, 0.0008535400000000, -0.0001856000000000 ] - [ -0.0011748100000000, 0.0005735100000000, 0.0027915500000000 ] - [ 0.0003061700000000, -0.0000689000000000, -0.0000972000000000 ] - [ -0.0019571600000000, 0.0060095700000000, 0.0018788300000000 ] - [ -0.0004868100000000, 0.0000384700000000, 0.0001397200000000 ] - [ -0.0019571600000000, 0.0060095700000000, -0.0018788300000000 ] - [ -0.0004868100000000, 0.0000384700000000, -0.0001397200000000 ] - [ -0.0011748100000000, 0.0005735100000000, -0.0027915500000000 ] - [ 0.0003061700000000, -0.0000689000000000, 0.0000972000000000 ] - [ 0.0005085400000000, -0.0000036300000000, -0.0000147600000000 ] - [ 0.0005051300000000, -0.0000078000000000, -0.0000050700000000 ] - [ -0.0003090400000000, 0.0000066500000000, -0.0000119700000000 ] - [ -0.0003418000000000, 0.0000063200000000, -0.0000054400000000 ] - [ -0.0003090400000000, 0.0000066500000000, 0.0000119700000000 ] - [ -0.0003418000000000, 0.0000063200000000, 0.0000054400000000 ] - [ 0.0005085400000000, -0.0000036300000000, 0.0000147600000000 ] - [ 0.0005051300000000, -0.0000078000000000, 0.0000050700000000 ] - [ -0.0007233900000000, 0.0008409300000000, -0.0008993300000000 ] - [ -0.0007233900000000, 0.0008409300000000, 0.0008993300000000 ] - [ -0.0004079200000000, -0.0089510800000000, 0.0012604600000000 ] - [ -0.0004079200000000, -0.0089510800000000, -0.0012604600000000 ] - [ 0.0015464300000000, -0.0022108700000000, 0.0000000000000000 ] - [ -0.0002845300000000, 0.0000869900000000, 0.0000000000000000 ] - [ -0.0187459300000000, 0.0188522800000000, 0.0000000000000000 ] - [ -0.0000205500000000, 0.0005311900000000, 0.0000000000000000 ] - [ 0.0003216600000000, -0.0002981500000000, 0.0001434100000000 ] - [ 0.0003216600000000, -0.0002981500000000, -0.0001434100000000 ] - [ 0.0005315200000000, -0.0000810100000000, -0.0000838700000000 ] - [ 0.0005315200000000, -0.0000810100000000, 0.0000838700000000 ] - [ 0.0008664500000000, 0.0005296800000000, 0.0000000000000000 ] - [ 0.0000286400000000, -0.0001166600000000, 0.0000000000000000 ] - [ 0.0006971000000000, 0.0000630800000000, 0.0000000000000000 ] - [ 0.0004267400000000, 0.0000836800000000, 0.0000000000000000 ] - [ -0.0000557000000000, 0.0004053200000000, -0.0004276500000000 ] - [ 0.0000171600000000, -0.0000875800000000, 0.0001456400000000 ] - [ 0.0318539300000000, -0.0603129100000000, 0.0000000000000000 ] - [ 0.0002050400000000, 0.0001139500000000, 0.0000000000000000 ] - [ -0.0105350000000000, 0.0072623900000000, 0.0093053300000000 ] - [ 0.0002266100000000, 0.0003031200000000, -0.0002325100000000 ] - [ -0.0000557000000000, 0.0004053200000000, 0.0004276500000000 ] - [ 0.0000171600000000, -0.0000875800000000, -0.0001456400000000 ] - [ -0.0010925500000000, 0.0181561700000000, 0.0000000000000000 ] - [ 0.0001523700000000, 0.0001345300000000, 0.0000000000000000 ] - [ 0.0079015400000000, 0.0018070400000000, -0.0053406000000000 ] - [ -0.0001522300000000, 0.0002910800000000, 0.0000746800000000 ] - [ -0.0105350000000000, 0.0072623900000000, -0.0093053300000000 ] - [ 0.0002266100000000, 0.0003031200000000, 0.0002325100000000 ] - [ -0.0009870200000000, -0.0000180800000000, 0.0004207300000000 ] - [ -0.0000196900000000, -0.0000474100000000, -0.0001164700000000 ] - [ 0.0079015400000000, 0.0018070400000000, 0.0053406000000000 ] - [ -0.0001522300000000, 0.0002910800000000, -0.0000746800000000 ] - [ 0.0016513800000000, 0.0020304000000000, 0.0003035800000000 ] - [ 0.0016513800000000, 0.0020304000000000, -0.0003035800000000 ] - [ -0.0001892000000000, -0.0003183800000000, 0.0001025900000000 ] - [ -0.0001892000000000, -0.0003183800000000, -0.0001025900000000 ] - [ 0.0008702500000000, -0.0015338500000000, -0.0008693100000000 ] - [ 0.0008702500000000, -0.0015338500000000, 0.0008693100000000 ] - [ -0.0009870200000000, -0.0000180800000000, -0.0004207300000000 ] - [ -0.0000196900000000, -0.0000474100000000, 0.0001164700000000 ] - [ -0.0005844500000000, 0.0005945700000000, 0.0000000000000000 ] - [ -0.0000807100000000, 0.0002242000000000, 0.0000000000000000 ] - [ 0.0000980200000000, 0.0000131200000000, 0.0000310100000000 ] - [ -0.0001127600000000, 0.0001388100000000, -0.0001468300000000 ] - [ -0.0002773600000000, 0.0001668800000000, 0.0000000000000000 ] - [ -0.0001775400000000, 0.0001385200000000, 0.0000000000000000 ] - [ 0.0000132900000000, -0.0000210300000000, -0.0000277700000000 ] - [ 0.0000359500000000, 0.0000173800000000, 0.0000254800000000 ] - [ 0.0000980200000000, 0.0000131200000000, -0.0000310100000000 ] - [ -0.0001127600000000, 0.0001388100000000, 0.0001468300000000 ] - [ -0.0002387100000000, 0.0002266600000000, 0.0000000000000000 ] - [ -0.0001984600000000, 0.0001551100000000, 0.0000000000000000 ] - [ -0.0001578300000000, 0.0000312300000000, -0.0000508700000000 ] - [ -0.0001199000000000, -0.0000165000000000, 0.0000366100000000 ] - [ 0.0000132900000000, -0.0000210300000000, 0.0000277700000000 ] - [ 0.0000359500000000, 0.0000173800000000, -0.0000254800000000 ] - [ -0.0004187300000000, 0.0000957900000000, -0.0001796700000000 ] - [ -0.0000874200000000, -0.0000035200000000, -0.0000196300000000 ] - [ -0.0001578300000000, 0.0000312300000000, 0.0000508700000000 ] - [ -0.0001199000000000, -0.0000165000000000, -0.0000366100000000 ] - [ -0.0002103800000000, -0.0001455000000000, 0.0000071300000000 ] - [ -0.0002103800000000, -0.0001455000000000, -0.0000071300000000 ] - [ -0.0005990100000000, 0.0010242800000000, -0.0004628100000000 ] - [ -0.0005990100000000, 0.0010242800000000, 0.0004628100000000 ] - [ -0.0002888200000000, -0.0000632900000000, -0.0000373600000000 ] - [ -0.0002888200000000, -0.0000632900000000, 0.0000373600000000 ] - [ -0.0004187300000000, 0.0000957900000000, 0.0001796700000000 ] - [ -0.0000874200000000, -0.0000035200000000, 0.0000196300000000 ] - [ -0.0021260000000000, 0.0036000700000000, 0.0000000000000000 ] - [ 0.0000191000000000, 0.0002430500000000, 0.0000000000000000 ]- atom: 43 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002379200000000, -0.0000012400000000, 0.0000000000000000 ] - [ -0.0000541900000000, 0.0001417700000000, 0.0000000000000000 ] - [ -0.0001565900000000, -0.0000737000000000, 0.0001206100000000 ] - [ -0.0001565900000000, -0.0000737000000000, -0.0001206100000000 ] - [ 0.0000376400000000, 0.0018187000000000, 0.0000000000000000 ] - [ 0.0000393400000000, 0.0001408800000000, 0.0000000000000000 ] - [ -0.0001011700000000, -0.0011231000000000, -0.0001639000000000 ] - [ -0.0001011700000000, -0.0011231000000000, 0.0001639000000000 ] - [ 0.0019345100000000, -0.0008159600000000, -0.0026133800000000 ] - [ 0.0005261700000000, 0.0000670800000000, 0.0000995900000000 ] - [ 0.0009409100000000, -0.0057866800000000, -0.0015763300000000 ] - [ -0.0003547700000000, -0.0000369400000000, -0.0001370700000000 ] - [ 0.0009409100000000, -0.0057866800000000, 0.0015763300000000 ] - [ -0.0003547700000000, -0.0000369400000000, 0.0001370700000000 ] - [ 0.0019345100000000, -0.0008159600000000, 0.0026133800000000 ] - [ 0.0005261700000000, 0.0000670800000000, -0.0000995900000000 ] - [ 0.0003361200000000, 0.0000063000000000, 0.0000179800000000 ] - [ 0.0003383300000000, 0.0000070900000000, 0.0000039300000000 ] - [ -0.0005184900000000, -0.0000089200000000, 0.0000129900000000 ] - [ -0.0004908400000000, -0.0000058300000000, 0.0000052600000000 ] - [ -0.0005184900000000, -0.0000089200000000, -0.0000129900000000 ] - [ -0.0004908400000000, -0.0000058300000000, -0.0000052600000000 ] - [ 0.0003361200000000, 0.0000063000000000, -0.0000179800000000 ] - [ 0.0003383300000000, 0.0000070900000000, -0.0000039300000000 ] - [ 0.0004229900000000, -0.0009848400000000, 0.0008672300000000 ] - [ 0.0004229900000000, -0.0009848400000000, -0.0008672300000000 ] - [ 0.0006508500000000, 0.0088202500000000, -0.0012572600000000 ] - [ 0.0006508500000000, 0.0088202500000000, 0.0012572600000000 ] - [ -0.0016800900000000, 0.0023738800000000, 0.0000000000000000 ] - [ -0.0000088300000000, 0.0000570300000000, 0.0000000000000000 ] - [ 0.0180339300000000, -0.0183603600000000, 0.0000000000000000 ] - [ 0.0002924700000000, -0.0003907400000000, 0.0000000000000000 ] - [ -0.0006109500000000, 0.0001533700000000, -0.0001096100000000 ] - [ -0.0006109500000000, 0.0001533700000000, 0.0001096100000000 ] - [ -0.0002119700000000, -0.0000603500000000, 0.0000790800000000 ] - [ -0.0002119700000000, -0.0000603500000000, -0.0000790800000000 ] - [ -0.0010366800000000, -0.0003768700000000, 0.0000000000000000 ] - [ -0.0003191600000000, 0.0002613600000000, 0.0000000000000000 ] - [ -0.0003586400000000, 0.0000790200000000, 0.0000000000000000 ] - [ -0.0001176500000000, 0.0000573900000000, 0.0000000000000000 ] - [ 0.0001228700000000, -0.0003869900000000, 0.0004039200000000 ] - [ 0.0000615800000000, 0.0000863700000000, -0.0001399400000000 ] - [ -0.0301790100000000, 0.0602950000000000, 0.0000000000000000 ] - [ -0.0001532000000000, 0.0001512800000000, 0.0000000000000000 ] - [ 0.0108667500000000, -0.0072385300000000, -0.0093669400000000 ] - [ 0.0000011100000000, -0.0003032100000000, 0.0002313300000000 ] - [ 0.0001228700000000, -0.0003869900000000, -0.0004039200000000 ] - [ 0.0000615800000000, 0.0000863700000000, 0.0001399400000000 ] - [ 0.0008298900000000, -0.0178994500000000, 0.0000000000000000 ] - [ -0.0001884800000000, 0.0001357400000000, 0.0000000000000000 ] - [ -0.0079416500000000, -0.0018621500000000, 0.0053347200000000 ] - [ 0.0000809100000000, -0.0002919500000000, -0.0000755200000000 ] - [ 0.0108667500000000, -0.0072385300000000, 0.0093669400000000 ] - [ 0.0000011100000000, -0.0003032100000000, -0.0002313300000000 ] - [ 0.0007573000000000, -0.0000089600000000, -0.0003972800000000 ] - [ -0.0002020700000000, 0.0000500500000000, 0.0001101600000000 ] - [ -0.0079416500000000, -0.0018621500000000, -0.0053347200000000 ] - [ 0.0000809100000000, -0.0002919500000000, 0.0000755200000000 ] - [ -0.0015759400000000, -0.0022957000000000, -0.0002898200000000 ] - [ -0.0015759400000000, -0.0022957000000000, 0.0002898200000000 ] - [ 0.0001740300000000, -0.0001394100000000, -0.0000979200000000 ] - [ 0.0001740300000000, -0.0001394100000000, 0.0000979200000000 ] - [ -0.0008927300000000, 0.0012740600000000, 0.0008530300000000 ] - [ -0.0008927300000000, 0.0012740600000000, -0.0008530300000000 ] - [ 0.0007573000000000, -0.0000089600000000, 0.0003972800000000 ] - [ -0.0002020700000000, 0.0000500500000000, -0.0001101600000000 ] - [ 0.0005394700000000, -0.0001400400000000, 0.0000000000000000 ] - [ 0.0000706300000000, 0.0002340600000000, 0.0000000000000000 ] - [ -0.0000252200000000, -0.0000298300000000, -0.0000116100000000 ] - [ 0.0001939000000000, -0.0001345300000000, 0.0001396600000000 ] - [ 0.0002938100000000, 0.0001076300000000, 0.0000000000000000 ] - [ 0.0002133200000000, 0.0001275400000000, 0.0000000000000000 ] - [ 0.0001997400000000, 0.0000196600000000, 0.0000266300000000 ] - [ 0.0001792800000000, -0.0000161100000000, -0.0000242300000000 ] - [ -0.0000252200000000, -0.0000298300000000, 0.0000116100000000 ] - [ 0.0001939000000000, -0.0001345300000000, -0.0001396600000000 ] - [ 0.0001389000000000, 0.0000350900000000, 0.0000000000000000 ] - [ 0.0001516600000000, 0.0001129200000000, 0.0000000000000000 ] - [ 0.0000702700000000, -0.0000301700000000, 0.0000495900000000 ] - [ 0.0000354000000000, 0.0000158400000000, -0.0000353300000000 ] - [ 0.0001997400000000, 0.0000196600000000, -0.0000266300000000 ] - [ 0.0001792800000000, -0.0000161100000000, 0.0000242300000000 ] - [ 0.0001848700000000, -0.0000769800000000, 0.0001569600000000 ] - [ -0.0001335800000000, -0.0000021100000000, 0.0000273700000000 ] - [ 0.0000702700000000, -0.0000301700000000, -0.0000495900000000 ] - [ 0.0000354000000000, 0.0000158400000000, 0.0000353300000000 ] - [ 0.0002379300000000, -0.0001244700000000, -0.0000127200000000 ] - [ 0.0002379300000000, -0.0001244700000000, 0.0000127200000000 ] - [ 0.0006222300000000, -0.0014827900000000, 0.0004571700000000 ] - [ 0.0006222300000000, -0.0014827900000000, -0.0004571700000000 ] - [ 0.0002345900000000, -0.0002016200000000, 0.0000335700000000 ] - [ 0.0002345900000000, -0.0002016200000000, -0.0000335700000000 ] - [ 0.0001848700000000, -0.0000769800000000, -0.0001569600000000 ] - [ -0.0001335800000000, -0.0000021100000000, -0.0000273700000000 ] - [ 0.0017879700000000, -0.0031311900000000, 0.0000000000000000 ] - [ -0.0000085100000000, 0.0002141000000000, 0.0000000000000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000033500000000, 0.0001342300000000, 0.0010185900000000 ] - [ 0.0000046900000000, 0.0001341500000000, -0.0008925700000000 ] - [ 0.0006222000000000, -0.0001975600000000, -0.0000620000000000 ] - [ -0.0006145300000000, -0.0000711800000000, -0.0000640200000000 ] - [ -0.0000065500000000, 0.0001296000000000, 0.0033558100000000 ] - [ -0.0000043400000000, 0.0001344700000000, -0.0015156500000000 ] - [ -0.0016249900000000, -0.0001457200000000, -0.0008034900000000 ] - [ 0.0016147300000000, -0.0001221700000000, -0.0008257900000000 ] - [ 0.0016517700000000, 0.0034249900000000, 0.0028139400000000 ] - [ 0.0004924600000000, -0.0001973800000000, -0.0015017500000000 ] - [ -0.0022440000000000, 0.0022915600000000, 0.0084445500000000 ] - [ -0.0005431700000000, 0.0003105700000000, -0.0015113400000000 ] - [ 0.0011729000000000, -0.0019377300000000, 0.0080961500000000 ] - [ -0.0002945000000000, -0.0003156000000000, -0.0015182700000000 ] - [ -0.0008731800000000, -0.0035999500000000, 0.0026382800000000 ] - [ 0.0003379400000000, 0.0002013600000000, -0.0015077600000000 ] - [ 0.0003877100000000, 0.0000224700000000, 0.0001121100000000 ] - [ 0.0004561000000000, -0.0000254200000000, -0.0001141300000000 ] - [ -0.0004602200000000, -0.0000253800000000, 0.0001129600000000 ] - [ -0.0003723200000000, 0.0000211400000000, -0.0001056100000000 ] - [ -0.0003664400000000, 0.0000231200000000, 0.0001117700000000 ] - [ -0.0004555000000000, -0.0000206700000000, -0.0001059400000000 ] - [ 0.0004565800000000, -0.0000201200000000, 0.0001083600000000 ] - [ 0.0003895900000000, 0.0000247100000000, -0.0001127300000000 ] - [ 0.0099676900000000, -0.0004162800000000, -0.0012324900000000 ] - [ -0.0101840800000000, 0.0002665500000000, -0.0012485800000000 ] - [ -0.0030972900000000, 0.0004867600000000, -0.0087610900000000 ] - [ 0.0033404100000000, -0.0006302100000000, -0.0087797800000000 ] - [ -0.0001598000000000, 0.0000689700000000, 0.0071356100000000 ] - [ -0.0001441500000000, 0.0000731300000000, -0.0053177400000000 ] - [ -0.0004279300000000, 0.0001186300000000, 0.0244952900000000 ] - [ 0.0001280800000000, 0.0000701600000000, -0.0071477600000000 ] - [ -0.0025867700000000, 0.0001298900000000, -0.0001938700000000 ] - [ 0.0022984700000000, -0.0002748300000000, -0.0002269000000000 ] - [ 0.0011799000000000, -0.0000223000000000, 0.0000100100000000 ] - [ -0.0008585700000000, -0.0001196500000000, 0.0000075800000000 ] - [ -0.0000845500000000, 0.0000762200000000, 0.0020565400000000 ] - [ -0.0001454000000000, 0.0000716100000000, -0.0018607300000000 ] - [ 0.0001597700000000, 0.0000714200000000, 0.0008874800000000 ] - [ 0.0001573400000000, 0.0000706900000000, -0.0009260200000000 ] - [ 0.0007227200000000, 0.0014559700000000, -0.0018957500000000 ] - [ -0.0007662300000000, -0.0016008900000000, 0.0020918000000000 ] - [ 0.0009590300000000, -0.0000576500000000, -0.0609737900000000 ] - [ 0.0000301700000000, 0.0001325000000000, 0.0019092600000000 ] - [ -0.0106232500000000, 0.0076506300000000, 0.0021492700000000 ] - [ 0.0005766900000000, 0.0020808400000000, 0.0034054100000000 ] - [ -0.0006476500000000, -0.0014662100000000, -0.0019096900000000 ] - [ 0.0008352200000000, 0.0015932800000000, 0.0020857300000000 ] - [ -0.0000012400000000, 0.0001336400000000, -0.0047334100000000 ] - [ -0.0000190600000000, 0.0001339900000000, 0.0015544800000000 ] - [ -0.0087318900000000, -0.0030726100000000, 0.0004972600000000 ] - [ 0.0004610600000000, -0.0017525000000000, 0.0030411600000000 ] - [ 0.0109266500000000, -0.0076990200000000, 0.0020990700000000 ] - [ -0.0003417700000000, -0.0020843600000000, 0.0034089400000000 ] - [ -0.0017136400000000, 0.0019803400000000, -0.0020250300000000 ] - [ 0.0006000800000000, -0.0017829900000000, 0.0021402100000000 ] - [ 0.0087124300000000, 0.0030833900000000, 0.0004470800000000 ] - [ -0.0005294800000000, 0.0017555800000000, 0.0030470000000000 ] - [ 0.0012827600000000, 0.0001659400000000, 0.0020734000000000 ] - [ -0.0012045100000000, -0.0004232800000000, 0.0020725500000000 ] - [ -0.0022294600000000, -0.0001252800000000, 0.0001980800000000 ] - [ 0.0022025900000000, -0.0003331000000000, 0.0001975600000000 ] - [ -0.0095314200000000, -0.0010019000000000, 0.0087598300000000 ] - [ 0.0093804800000000, 0.0007154600000000, 0.0086314000000000 ] - [ 0.0014861700000000, -0.0019692000000000, -0.0020053700000000 ] - [ -0.0008322100000000, 0.0017900600000000, 0.0021441800000000 ] - [ -0.0000055400000000, 0.0002303700000000, -0.0009470800000000 ] - [ -0.0000091300000000, 0.0002296600000000, 0.0007593000000000 ] - [ -0.0004188500000000, 0.0002793700000000, -0.0006849400000000 ] - [ 0.0004217400000000, -0.0004367200000000, 0.0007780100000000 ] - [ 0.0000123300000000, 0.0001369200000000, -0.0002219000000000 ] - [ 0.0000158100000000, 0.0001328700000000, 0.0002261200000000 ] - [ 0.0002182400000000, -0.0002218300000000, -0.0003481900000000 ] - [ -0.0000084300000000, 0.0002319800000000, 0.0003577900000000 ] - [ 0.0004908900000000, -0.0002962800000000, -0.0007042800000000 ] - [ -0.0003427500000000, 0.0004412900000000, 0.0007862200000000 ] - [ -0.0000501200000000, 0.0001304300000000, -0.0001522800000000 ] - [ -0.0000234000000000, 0.0001332400000000, 0.0002915700000000 ] - [ 0.0000890600000000, 0.0002036500000000, -0.0003615500000000 ] - [ -0.0002030500000000, -0.0002125000000000, 0.0003700700000000 ] - [ 0.0000003300000000, 0.0002231800000000, -0.0003510900000000 ] - [ 0.0002262300000000, -0.0002321700000000, 0.0003588100000000 ] - [ 0.0003154700000000, 0.0002878900000000, -0.0005667200000000 ] - [ -0.0004426300000000, -0.0004767100000000, 0.0007305300000000 ] - [ -0.0001741900000000, -0.0002056000000000, -0.0003643100000000 ] - [ 0.0001177800000000, 0.0002127900000000, 0.0003711800000000 ] - [ -0.0001677000000000, -0.0001259200000000, 0.0000048600000000 ] - [ 0.0001942900000000, -0.0001434900000000, 0.0000112800000000 ] - [ 0.0034845000000000, -0.0001789300000000, 0.0013360100000000 ] - [ -0.0034638500000000, -0.0002767300000000, 0.0013405900000000 ] - [ 0.0005281300000000, -0.0001658100000000, 0.0000579800000000 ] - [ -0.0005833200000000, -0.0000974600000000, 0.0000622500000000 ] - [ -0.0005539400000000, -0.0002693500000000, -0.0005435700000000 ] - [ 0.0002173800000000, 0.0004712100000000, 0.0007224400000000 ] - [ -0.0001700400000000, 0.0002484500000000, 0.0020881500000000 ] - [ 0.0000070800000000, 0.0002293500000000, 0.0011131300000000 ]- atom: 45 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0012294800000000, 0.0001326500000000, 0.0001555200000000 ] - [ -0.0009537200000000, 0.0001405800000000, -0.0001544300000000 ] - [ -0.0009537200000000, -0.0001405800000000, 0.0001544300000000 ] - [ -0.0012294800000000, -0.0001326500000000, -0.0001555200000000 ] - [ 0.0005052700000000, 0.0034205800000000, -0.0041199200000000 ] - [ 0.0020571300000000, 0.0000511400000000, 0.0014717900000000 ] - [ 0.0020571300000000, -0.0000511400000000, -0.0014717900000000 ] - [ 0.0005052700000000, -0.0034205800000000, 0.0041199200000000 ] - [ 0.0003284600000000, -0.0003760300000000, 0.0016460300000000 ] - [ 0.0003284600000000, 0.0003760300000000, -0.0016460300000000 ] - [ -0.0006546200000000, 0.0004081900000000, 0.0012504000000000 ] - [ -0.0006546200000000, -0.0004081900000000, -0.0012504000000000 ] - [ -0.0013113200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001568000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0069025900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0007300400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0003404900000000, -0.0001143400000000, -0.0001882000000000 ] - [ -0.0003404900000000, 0.0001143400000000, 0.0001882000000000 ] - [ -0.0011311400000000, 0.0001081500000000, -0.0001639600000000 ] - [ -0.0011311400000000, -0.0001081500000000, 0.0001639600000000 ] - [ -0.0013369200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0009505600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0004514200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001413600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0017067600000000, -0.0001171800000000, 0.0011361200000000 ] - [ -0.0054351800000000, 0.0002555100000000, -0.0011980700000000 ] - [ 0.0046422600000000, -0.0000452300000000, 0.0013482500000000 ] - [ 0.0310114500000000, -0.0023048700000000, -0.0024399400000000 ] - [ -0.0054351800000000, -0.0002555100000000, 0.0011980700000000 ] - [ -0.0017067600000000, 0.0001171800000000, -0.0011361200000000 ] - [ 0.0310114500000000, 0.0023048700000000, 0.0024399400000000 ] - [ 0.0046422600000000, 0.0000452300000000, -0.0013482500000000 ] - [ 0.0001963500000000, -0.0008019600000000, -0.0027606600000000 ] - [ -0.0079670400000000, 0.0003805800000000, 0.0018342100000000 ] - [ -0.0027720800000000, -0.0001080200000000, -0.0000007900000000 ] - [ -0.0036001800000000, -0.0001333300000000, -0.0000034100000000 ] - [ -0.0079670400000000, -0.0003805800000000, -0.0018342100000000 ] - [ 0.0001963500000000, 0.0008019600000000, 0.0027606600000000 ] - [ -0.0036001800000000, 0.0001333300000000, 0.0000034100000000 ] - [ -0.0027720800000000, 0.0001080200000000, 0.0000007900000000 ] - [ 0.0010848200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005241000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0004531700000000, -0.0105011300000000, -0.0107116200000000 ] - [ -0.0017035700000000, 0.0002469800000000, 0.0004587100000000 ] - [ -0.0572424800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0009941000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0007719000000000, -0.0004994400000000, -0.0007508600000000 ] - [ 0.0007719000000000, 0.0004994400000000, 0.0007508600000000 ] - [ 0.0042217400000000, 0.0010004300000000, -0.0015921800000000 ] - [ 0.0003398900000000, 0.0000425100000000, 0.0007151300000000 ] - [ -0.0078803700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0012897000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0047462200000000, 0.0007321600000000, -0.0013558400000000 ] - [ -0.0047462200000000, -0.0007321600000000, 0.0013558400000000 ] - [ 0.0006450900000000, 0.0006302600000000, -0.0008784700000000 ] - [ 0.0006450900000000, -0.0006302600000000, 0.0008784700000000 ] - [ -0.0017226200000000, -0.0031065300000000, -0.0026648800000000 ] - [ -0.0017226200000000, 0.0031065300000000, 0.0026648800000000 ] - [ -0.0017035700000000, -0.0002469800000000, -0.0004587100000000 ] - [ 0.0004531700000000, 0.0105011300000000, 0.0107116200000000 ] - [ 0.0018195700000000, -0.0002011800000000, -0.0001355600000000 ] - [ 0.0028491700000000, -0.0002907200000000, 0.0001506300000000 ] - [ 0.0003398900000000, -0.0000425100000000, -0.0007151300000000 ] - [ 0.0042217400000000, -0.0010004300000000, 0.0015921800000000 ] - [ 0.0009171400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002328900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0028491700000000, 0.0002907200000000, -0.0001506300000000 ] - [ 0.0018195700000000, 0.0002011800000000, 0.0001355600000000 ] - [ 0.0011931700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0004423600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0022000200000000, 0.0000420300000000, 0.0001102800000000 ] - [ 0.0017538500000000, 0.0000632600000000, -0.0001166700000000 ] - [ 0.0009770500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0007669700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0017070400000000, 0.0014838300000000, 0.0027505900000000 ] - [ 0.0017070400000000, -0.0014838300000000, -0.0027505900000000 ] - [ 0.0027523400000000, 0.0004357600000000, 0.0004376900000000 ] - [ 0.0010776700000000, 0.0001087900000000, -0.0003314500000000 ] - [ 0.0008016400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0006254300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0008786200000000, 0.0000263800000000, -0.0000194400000000 ] - [ 0.0008786200000000, -0.0000263800000000, 0.0000194400000000 ] - [ 0.0004241300000000, -0.0011098500000000, 0.0015777100000000 ] - [ 0.0004241300000000, 0.0011098500000000, -0.0015777100000000 ] - [ 0.0007105300000000, -0.0000183100000000, -0.0000352100000000 ] - [ 0.0007105300000000, 0.0000183100000000, 0.0000352100000000 ] - [ 0.0017538500000000, -0.0000632600000000, 0.0001166700000000 ] - [ 0.0022000200000000, -0.0000420300000000, -0.0001102800000000 ] - [ -0.0030617600000000, -0.0002093900000000, 0.0005261200000000 ] - [ 0.0107195200000000, -0.0099458500000000, -0.0118014400000000 ] - [ 0.0010776700000000, -0.0001087900000000, 0.0003314500000000 ] - [ 0.0027523400000000, -0.0004357600000000, -0.0004376900000000 ] - [ 0.0014941400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0003280100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0107195200000000, 0.0099458500000000, 0.0118014400000000 ] - [ -0.0030617600000000, 0.0002093900000000, -0.0005261200000000 ]- atom: 45 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0012286900000000, 0.0001349900000000, -0.0001582200000000 ] - [ 0.0009512300000000, 0.0001263000000000, 0.0001564700000000 ] - [ 0.0009512300000000, -0.0001263000000000, -0.0001564700000000 ] - [ 0.0012286900000000, -0.0001349900000000, 0.0001582200000000 ] - [ -0.0003865800000000, -0.0031911800000000, 0.0041584000000000 ] - [ -0.0020273300000000, 0.0002183900000000, -0.0014633300000000 ] - [ -0.0020273300000000, -0.0002183900000000, 0.0014633300000000 ] - [ -0.0003865800000000, 0.0031911800000000, -0.0041584000000000 ] - [ 0.0004991200000000, 0.0003745500000000, -0.0016601200000000 ] - [ 0.0004991200000000, -0.0003745500000000, 0.0016601200000000 ] - [ -0.0001937500000000, -0.0004058500000000, -0.0012541900000000 ] - [ -0.0001937500000000, 0.0004058500000000, 0.0012541900000000 ] - [ 0.0004739700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0006862500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0074786700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000916000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0011744000000000, 0.0001137300000000, 0.0001863300000000 ] - [ 0.0011744000000000, -0.0001137300000000, -0.0001863300000000 ] - [ 0.0002976100000000, -0.0001076100000000, 0.0001612400000000 ] - [ 0.0002976100000000, 0.0001076100000000, -0.0001612400000000 ] - [ 0.0004960600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001179100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0012875600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0009788100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0013924300000000, -0.0000270600000000, -0.0011444800000000 ] - [ 0.0051550000000000, -0.0004051600000000, 0.0012104200000000 ] - [ -0.0043447600000000, -0.0000783700000000, -0.0012906300000000 ] - [ -0.0307706700000000, 0.0025526400000000, 0.0027983900000000 ] - [ 0.0051550000000000, 0.0004051600000000, -0.0012104200000000 ] - [ 0.0013924300000000, 0.0000270600000000, 0.0011444800000000 ] - [ -0.0307706700000000, -0.0025526400000000, -0.0027983900000000 ] - [ -0.0043447600000000, 0.0000783700000000, 0.0012906300000000 ] - [ -0.0004594600000000, 0.0006482500000000, 0.0027356800000000 ] - [ 0.0076369100000000, -0.0005194600000000, -0.0018163000000000 ] - [ 0.0030640000000000, -0.0000356600000000, -0.0000030900000000 ] - [ 0.0038937200000000, -0.0000099700000000, 0.0000064600000000 ] - [ 0.0076369100000000, 0.0005194600000000, 0.0018163000000000 ] - [ -0.0004594600000000, -0.0006482500000000, -0.0027356800000000 ] - [ 0.0038937200000000, 0.0000099700000000, -0.0000064600000000 ] - [ 0.0030640000000000, 0.0000356600000000, 0.0000030900000000 ] - [ -0.0010069700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0004406900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0003917200000000, 0.0109017100000000, 0.0108386300000000 ] - [ 0.0017701000000000, 0.0000213800000000, -0.0004599800000000 ] - [ 0.0575241300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0012080200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0006918600000000, 0.0005041600000000, 0.0007579800000000 ] - [ -0.0006918600000000, -0.0005041600000000, -0.0007579800000000 ] - [ -0.0042966200000000, -0.0007457100000000, 0.0016103000000000 ] - [ -0.0003729600000000, 0.0002247500000000, -0.0007163600000000 ] - [ 0.0077434200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0012017300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0049665700000000, -0.0007130500000000, 0.0012717800000000 ] - [ 0.0049665700000000, 0.0007130500000000, -0.0012717800000000 ] - [ -0.0008656200000000, -0.0006369100000000, 0.0008864700000000 ] - [ -0.0008656200000000, 0.0006369100000000, -0.0008864700000000 ] - [ 0.0016075400000000, 0.0029812600000000, 0.0025412500000000 ] - [ 0.0016075400000000, -0.0029812600000000, -0.0025412500000000 ] - [ 0.0017701000000000, -0.0000213800000000, 0.0004599800000000 ] - [ -0.0003917200000000, -0.0109017100000000, -0.0108386300000000 ] - [ -0.0018145600000000, -0.0002565300000000, 0.0001373700000000 ] - [ -0.0028519600000000, -0.0001654400000000, -0.0001521900000000 ] - [ -0.0003729600000000, -0.0002247500000000, 0.0007163600000000 ] - [ -0.0042966200000000, 0.0007457100000000, -0.0016103000000000 ] - [ -0.0011404100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0004514200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0028519600000000, 0.0001654400000000, 0.0001521900000000 ] - [ -0.0018145600000000, 0.0002565300000000, -0.0001373700000000 ] - [ -0.0011095800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005103100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0021516500000000, 0.0002282200000000, -0.0001082800000000 ] - [ -0.0017049900000000, 0.0002060000000000, 0.0001181700000000 ] - [ -0.0007537300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0005442200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0016133400000000, -0.0014740100000000, -0.0027230200000000 ] - [ -0.0016133400000000, 0.0014740100000000, 0.0027230200000000 ] - [ -0.0027941400000000, -0.0001681200000000, -0.0004322000000000 ] - [ -0.0011278300000000, 0.0001547900000000, 0.0003282700000000 ] - [ -0.0008806500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0007049500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0006564700000000, -0.0000282000000000, 0.0000217000000000 ] - [ -0.0006564700000000, 0.0000282000000000, -0.0000217000000000 ] - [ -0.0006495500000000, 0.0011037600000000, -0.0015671000000000 ] - [ -0.0006495500000000, -0.0011037600000000, 0.0015671000000000 ] - [ -0.0007893800000000, 0.0000196400000000, 0.0000375000000000 ] - [ -0.0007893800000000, -0.0000196400000000, -0.0000375000000000 ] - [ -0.0017049900000000, -0.0002060000000000, -0.0001181700000000 ] - [ -0.0021516500000000, -0.0002282200000000, 0.0001082800000000 ] - [ 0.0030187600000000, -0.0002523300000000, -0.0005253000000000 ] - [ -0.0105881300000000, 0.0093343400000000, 0.0116129100000000 ] - [ -0.0011278300000000, -0.0001547900000000, -0.0003282700000000 ] - [ -0.0027941400000000, 0.0001681200000000, 0.0004322000000000 ] - [ -0.0017144500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000956900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0105881300000000, -0.0093343400000000, -0.0116129100000000 ] - [ 0.0030187600000000, 0.0002523300000000, 0.0005253000000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001805600000000, 0.0001458500000000, 0.0002424800000000 ] - [ -0.0001399300000000, 0.0001096500000000, -0.0002419500000000 ] - [ 0.0001432800000000, -0.0001583900000000, -0.0002410800000000 ] - [ -0.0001780700000000, -0.0001225300000000, 0.0002416100000000 ] - [ 0.0012148500000000, 0.0010108100000000, 0.0058292200000000 ] - [ 0.0017018700000000, 0.0005381300000000, -0.0035657200000000 ] - [ -0.0017170800000000, 0.0002757400000000, -0.0035597300000000 ] - [ -0.0010897000000000, 0.0008553800000000, 0.0057321200000000 ] - [ 0.0016675800000000, 0.0015150900000000, -0.0008588000000000 ] - [ -0.0008333000000000, 0.0015015800000000, -0.0008688400000000 ] - [ 0.0014631000000000, -0.0015276800000000, -0.0014018100000000 ] - [ -0.0022939800000000, -0.0015155800000000, -0.0013991600000000 ] - [ -0.0004170100000000, -0.0035915800000000, 0.0037071300000000 ] - [ -0.0004186500000000, 0.0003046400000000, -0.0012996700000000 ] - [ 0.0003303300000000, 0.0084316000000000, 0.0043342400000000 ] - [ 0.0004215100000000, -0.0003883200000000, -0.0013144800000000 ] - [ 0.0002146000000000, -0.0000491900000000, -0.0000584900000000 ] - [ 0.0006262400000000, -0.0000497500000000, -0.0000585200000000 ] - [ -0.0006328500000000, 0.0000347200000000, -0.0000294100000000 ] - [ -0.0002059900000000, 0.0000354500000000, -0.0000295300000000 ] - [ -0.0004184200000000, 0.0001698500000000, 0.0002980000000000 ] - [ -0.0004198700000000, -0.0001053600000000, -0.0002393700000000 ] - [ 0.0004215200000000, -0.0001986900000000, 0.0003680700000000 ] - [ 0.0004190200000000, 0.0001058200000000, -0.0002575700000000 ] - [ 0.0021877100000000, -0.0000758400000000, -0.0016926100000000 ] - [ -0.0014933800000000, -0.0001915000000000, 0.0017010800000000 ] - [ 0.0001698200000000, -0.0033429000000000, -0.0187630900000000 ] - [ 0.0172800800000000, 0.0178636900000000, 0.0309972500000000 ] - [ 0.0011899200000000, -0.0000550000000000, 0.0017070700000000 ] - [ -0.0024580900000000, 0.0000665600000000, -0.0016986800000000 ] - [ -0.0170097900000000, 0.0203642600000000, 0.0339353300000000 ] - [ 0.0001099300000000, -0.0031355200000000, -0.0187302300000000 ] - [ -0.0026058000000000, -0.0001532200000000, -0.0032153600000000 ] - [ 0.0089181800000000, -0.0007149700000000, 0.0030367400000000 ] - [ 0.0001453000000000, -0.0000640400000000, -0.0003894900000000 ] - [ 0.0002200400000000, -0.0000775700000000, 0.0003842200000000 ] - [ -0.0091878400000000, -0.0005758900000000, 0.0030464900000000 ] - [ 0.0023018900000000, -0.0000181900000000, -0.0032301200000000 ] - [ 0.0000756600000000, 0.0000640400000000, 0.0003852200000000 ] - [ 0.0001543800000000, 0.0000774500000000, -0.0003909600000000 ] - [ 0.0000377900000000, 0.0003980400000000, -0.0009342200000000 ] - [ 0.0000358600000000, -0.0007125000000000, 0.0010137400000000 ] - [ -0.0157487300000000, 0.0073555100000000, 0.0076888900000000 ] - [ 0.0017040400000000, 0.0004315700000000, 0.0020829100000000 ] - [ 0.0001118800000000, -0.1617467800000000, -0.1202389600000000 ] - [ 0.0001170700000000, 0.0063004800000000, 0.0092623900000000 ] - [ -0.0002546200000000, -0.0001551800000000, -0.0000438100000000 ] - [ 0.0003276100000000, -0.0001508500000000, -0.0000382800000000 ] - [ -0.0005256800000000, 0.0001346700000000, -0.0019834000000000 ] - [ 0.0019254700000000, 0.0000842000000000, 0.0017874500000000 ] - [ 0.0000079100000000, 0.0681103100000000, -0.0224630800000000 ] - [ -0.0000334000000000, -0.0034977000000000, 0.0072988700000000 ] - [ 0.0008391900000000, -0.0086591100000000, 0.0090373300000000 ] - [ -0.0006062900000000, -0.0085652800000000, 0.0091515400000000 ] - [ -0.0007468300000000, 0.0002415900000000, 0.0000192600000000 ] - [ 0.0005208000000000, 0.0002348300000000, 0.0000253800000000 ] - [ 0.0074510900000000, 0.0233983300000000, 0.0201459800000000 ] - [ -0.0074410800000000, 0.0231425000000000, 0.0199897000000000 ] - [ -0.0016485800000000, 0.0001747000000000, 0.0020827200000000 ] - [ 0.0155897700000000, 0.0071447500000000, 0.0076593700000000 ] - [ -0.0004684100000000, -0.0002033500000000, 0.0002370600000000 ] - [ 0.0002465500000000, -0.0002327100000000, -0.0002355000000000 ] - [ -0.0020016400000000, -0.0001801000000000, 0.0017891100000000 ] - [ 0.0004957200000000, -0.0001453200000000, -0.0019693800000000 ] - [ -0.0001131900000000, -0.0002841300000000, -0.0011266300000000 ] - [ -0.0001141500000000, 0.0007731800000000, 0.0010868100000000 ] - [ -0.0002456200000000, 0.0002216800000000, -0.0002369700000000 ] - [ 0.0004602500000000, 0.0002497200000000, 0.0002380700000000 ] - [ 0.0000345300000000, 0.0023456900000000, -0.0027590200000000 ] - [ 0.0000397000000000, -0.0009024200000000, 0.0019766200000000 ] - [ 0.0002117300000000, 0.0001136400000000, -0.0002214500000000 ] - [ -0.0001314400000000, 0.0001486500000000, 0.0002326000000000 ] - [ 0.0001117600000000, -0.0001483100000000, -0.0002804600000000 ] - [ 0.0001114900000000, 0.0001786300000000, 0.0002866600000000 ] - [ 0.0015025500000000, 0.0015682400000000, 0.0006822000000000 ] - [ -0.0014362100000000, 0.0015724100000000, 0.0006989200000000 ] - [ 0.0017891800000000, 0.0002159400000000, -0.0002783900000000 ] - [ -0.0007453200000000, 0.0001314100000000, 0.0004748000000000 ] - [ -0.0000381300000000, 0.0001450200000000, -0.0002691200000000 ] - [ -0.0000386200000000, -0.0001647400000000, 0.0002799100000000 ] - [ 0.0001384300000000, 0.0000138300000000, -0.0000000800000000 ] - [ 0.0000837400000000, 0.0000134100000000, 0.0000011200000000 ] - [ 0.0009952000000000, -0.0006559200000000, 0.0005116800000000 ] - [ -0.0012185300000000, -0.0006599600000000, 0.0005193500000000 ] - [ -0.0000578100000000, -0.0000094000000000, -0.0000029700000000 ] - [ -0.0000184100000000, -0.0000088300000000, -0.0000017100000000 ] - [ 0.0001888100000000, -0.0001174000000000, 0.0002300500000000 ] - [ -0.0001539300000000, -0.0001520800000000, -0.0002223100000000 ] - [ 0.0030418300000000, 0.0004315100000000, 0.0024795100000000 ] - [ -0.0180485800000000, 0.0025037500000000, 0.0052443300000000 ] - [ 0.0006846100000000, -0.0001312100000000, 0.0004723300000000 ] - [ -0.0018576800000000, -0.0000455000000000, -0.0002775600000000 ] - [ -0.0001147200000000, -0.0027046000000000, -0.0033126800000000 ] - [ -0.0001096700000000, 0.0013489300000000, 0.0021041400000000 ] - [ 0.0180942300000000, 0.0028663100000000, 0.0052121600000000 ] - [ -0.0030191800000000, 0.0008813600000000, 0.0024814300000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002572400000000, 0.0001586100000000, 0.0004076800000000 ] - [ -0.0002202800000000, 0.0001072300000000, -0.0004079500000000 ] - [ 0.0002239200000000, -0.0001605300000000, -0.0004062800000000 ] - [ -0.0002555400000000, -0.0001092600000000, 0.0004062100000000 ] - [ -0.0053550200000000, 0.0033123800000000, 0.0055687400000000 ] - [ 0.0029593200000000, 0.0000340300000000, -0.0052475500000000 ] - [ -0.0029983600000000, -0.0002387500000000, -0.0052328600000000 ] - [ 0.0054916700000000, 0.0031224400000000, 0.0054322100000000 ] - [ 0.0033896900000000, 0.0008904300000000, -0.0016239200000000 ] - [ -0.0025438400000000, 0.0008887700000000, -0.0016406600000000 ] - [ 0.0019368300000000, -0.0010349300000000, -0.0016337400000000 ] - [ -0.0027692100000000, -0.0010346600000000, -0.0016390600000000 ] - [ -0.0004263600000000, -0.0024870000000000, 0.0049580200000000 ] - [ -0.0004146200000000, 0.0005738300000000, -0.0019357600000000 ] - [ 0.0003362700000000, 0.0041062500000000, 0.0094198700000000 ] - [ 0.0004267700000000, -0.0006402600000000, -0.0020816100000000 ] - [ 0.0000757400000000, -0.0000581500000000, -0.0000672000000000 ] - [ 0.0007646200000000, -0.0000593100000000, -0.0000681000000000 ] - [ -0.0007679300000000, 0.0000461700000000, -0.0000353400000000 ] - [ -0.0000703300000000, 0.0000473600000000, -0.0000362600000000 ] - [ -0.0004176900000000, 0.0002534600000000, 0.0004567700000000 ] - [ -0.0004203100000000, -0.0001700900000000, -0.0003916400000000 ] - [ 0.0004215600000000, -0.0002785300000000, 0.0005506100000000 ] - [ 0.0004191300000000, 0.0001679900000000, -0.0004167700000000 ] - [ 0.0027555700000000, -0.0001188200000000, -0.0026011000000000 ] - [ -0.0041634400000000, 0.0000948500000000, 0.0025798400000000 ] - [ -0.0006646400000000, 0.0039940300000000, -0.0329811500000000 ] - [ 0.0145466600000000, 0.0135027500000000, 0.0430892900000000 ] - [ 0.0038534900000000, 0.0002319000000000, 0.0025910600000000 ] - [ -0.0030219200000000, 0.0000238400000000, -0.0026137600000000 ] - [ -0.0142710900000000, 0.0166540600000000, 0.0452922800000000 ] - [ 0.0009270300000000, 0.0040311600000000, -0.0329260000000000 ] - [ -0.0041149300000000, -0.0004751400000000, -0.0054293800000000 ] - [ 0.0111144100000000, -0.0005108800000000, 0.0052802700000000 ] - [ 0.0001339300000000, -0.0000597900000000, -0.0006422800000000 ] - [ 0.0000968200000000, -0.0000858400000000, 0.0006402300000000 ] - [ -0.0113662000000000, -0.0003703900000000, 0.0053041300000000 ] - [ 0.0037894200000000, -0.0003376600000000, -0.0054606000000000 ] - [ 0.0001990000000000, 0.0000555400000000, 0.0006422700000000 ] - [ 0.0001657100000000, 0.0000815900000000, -0.0006450500000000 ] - [ 0.0000386200000000, 0.0010738000000000, -0.0018186300000000 ] - [ 0.0000358700000000, -0.0009720600000000, 0.0014702100000000 ] - [ -0.0157821500000000, 0.0094770800000000, 0.0020713000000000 ] - [ 0.0025853400000000, -0.0000981700000000, 0.0034078100000000 ] - [ 0.0000998200000000, -0.1202381200000000, -0.1721732700000000 ] - [ 0.0001178000000000, 0.0092617000000000, 0.0178110300000000 ] - [ -0.0004763500000000, 0.0000485700000000, 0.0001665800000000 ] - [ 0.0005500400000000, 0.0000545700000000, 0.0001751200000000 ] - [ -0.0041357600000000, -0.0002689000000000, -0.0020251600000000 ] - [ 0.0024443100000000, 0.0002450200000000, 0.0021498300000000 ] - [ -0.0000417300000000, 0.0217689500000000, -0.0265761500000000 ] - [ -0.0000290800000000, -0.0063810900000000, 0.0124572600000000 ] - [ 0.0014340000000000, -0.0091541200000000, 0.0353767700000000 ] - [ -0.0011938100000000, -0.0090361100000000, 0.0348804600000000 ] - [ -0.0009949800000000, -0.0000195200000000, 0.0002431500000000 ] - [ 0.0007700800000000, -0.0000275200000000, 0.0002529100000000 ] - [ 0.0071385000000000, 0.0185295200000000, 0.0231965400000000 ] - [ -0.0071364700000000, 0.0184798000000000, 0.0230528300000000 ] - [ -0.0025525800000000, -0.0003658100000000, 0.0034042200000000 ] - [ 0.0156772900000000, 0.0091946500000000, 0.0021738700000000 ] - [ -0.0006645500000000, -0.0001877700000000, 0.0003748200000000 ] - [ 0.0008924600000000, -0.0003093700000000, -0.0003677100000000 ] - [ -0.0025252600000000, -0.0000166300000000, 0.0021397300000000 ] - [ 0.0041089200000000, -0.0005504200000000, -0.0020056700000000 ] - [ -0.0001116200000000, -0.0011253800000000, -0.0020956700000000 ] - [ -0.0001149000000000, 0.0010876100000000, 0.0016065600000000 ] - [ -0.0008901400000000, 0.0001453100000000, -0.0003698700000000 ] - [ 0.0006553400000000, 0.0002653700000000, 0.0003766700000000 ] - [ 0.0000312000000000, 0.0024910700000000, -0.0049163600000000 ] - [ 0.0000439800000000, -0.0015093300000000, 0.0033856100000000 ] - [ 0.0002610200000000, 0.0001071100000000, -0.0003500400000000 ] - [ -0.0002290300000000, 0.0001570400000000, 0.0003580300000000 ] - [ 0.0001115600000000, -0.0002815700000000, -0.0004935000000000 ] - [ 0.0001113400000000, 0.0002854100000000, 0.0004617000000000 ] - [ 0.0029387200000000, 0.0009902200000000, 0.0015448500000000 ] - [ -0.0028701500000000, 0.0009991700000000, 0.0015700600000000 ] - [ 0.0024115200000000, 0.0002992000000000, -0.0005554300000000 ] - [ -0.0011833700000000, 0.0001555700000000, 0.0007295700000000 ] - [ -0.0000383100000000, 0.0002680400000000, -0.0004671400000000 ] - [ -0.0000388100000000, -0.0002602800000000, 0.0004492200000000 ] - [ 0.0001316000000000, 0.0000010300000000, 0.0000180000000000 ] - [ 0.0000902900000000, 0.0000001000000000, 0.0000201700000000 ] - [ 0.0014587800000000, -0.0005101300000000, 0.0006528400000000 ] - [ -0.0016859600000000, -0.0005231100000000, 0.0006739100000000 ] - [ -0.0000852800000000, 0.0000043100000000, 0.0000109300000000 ] - [ 0.0000086300000000, 0.0000053500000000, 0.0000130400000000 ] - [ 0.0002864200000000, -0.0001093600000000, 0.0003549000000000 ] - [ -0.0002043900000000, -0.0001590700000000, -0.0003500600000000 ] - [ 0.0044720300000000, -0.0000037500000000, 0.0039926000000000 ] - [ -0.0212136700000000, 0.0064722500000000, 0.0023154600000000 ] - [ 0.0011286300000000, -0.0001070000000000, 0.0007252900000000 ] - [ -0.0024805800000000, 0.0000352200000000, -0.0005519300000000 ] - [ -0.0001174000000000, -0.0033115900000000, -0.0049387300000000 ] - [ -0.0001071100000000, 0.0021051400000000, 0.0033112700000000 ] - [ 0.0212668700000000, 0.0069148100000000, 0.0022209900000000 ] - [ -0.0044205900000000, 0.0004545000000000, 0.0040037300000000 ]- atom: 61 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0146173200000000, 0.0001219000000000, -0.0001073500000000 ] - [ 0.0146173200000000, 0.0001219000000000, 0.0001073500000000 ] - [ 0.0224327100000000, -0.0001448300000000, 0.0000000000000000 ] - [ 0.0064212300000000, -0.0001318300000000, 0.0000000000000000 ] - [ -0.0033406100000000, 0.0001325300000000, 0.0000030200000000 ] - [ -0.0033406100000000, 0.0001325300000000, -0.0000030200000000 ] - [ -0.0039933100000000, -0.0001326500000000, 0.0000000000000000 ] - [ -0.0028323500000000, -0.0001324200000000, 0.0000000000000000 ] - [ -0.0023111900000000, 0.0017638400000000, 0.0026111700000000 ] - [ -0.0004931700000000, -0.0002380200000000, -0.0008749900000000 ] - [ -0.0031297300000000, -0.0014905500000000, 0.0019167900000000 ] - [ -0.0011943400000000, 0.0002831300000000, -0.0009276900000000 ] - [ -0.0011943400000000, 0.0002831300000000, 0.0009276900000000 ] - [ -0.0031297300000000, -0.0014905500000000, -0.0019167900000000 ] - [ -0.0004931700000000, -0.0002380200000000, 0.0008749900000000 ] - [ -0.0023111900000000, 0.0017638400000000, -0.0026111700000000 ] - [ -0.0023021300000000, 0.0014729200000000, -0.0018982400000000 ] - [ -0.0003658700000000, -0.0002833700000000, 0.0009239100000000 ] - [ -0.0031494900000000, -0.0017441700000000, -0.0025849000000000 ] - [ -0.0013406100000000, 0.0002383100000000, 0.0008710600000000 ] - [ -0.0013406100000000, 0.0002383100000000, -0.0008710600000000 ] - [ -0.0031494900000000, -0.0017441700000000, 0.0025849000000000 ] - [ -0.0003658700000000, -0.0002833700000000, -0.0009239100000000 ] - [ -0.0023021300000000, 0.0014729200000000, 0.0018982400000000 ] - [ 0.0177331700000000, -0.0025819900000000, 0.0000000000000000 ] - [ 0.0075575100000000, 0.0002578400000000, 0.0000000000000000 ] - [ -0.0131921000000000, -0.0001881900000000, 0.0000000000000000 ] - [ -0.0063580700000000, -0.0001195600000000, 0.0000000000000000 ] - [ 0.0128491300000000, -0.0015343800000000, 0.0235082200000000 ] - [ 0.0128491300000000, -0.0015343800000000, -0.0235082200000000 ] - [ -0.0097826600000000, 0.0001571300000000, 0.0023388300000000 ] - [ -0.0097826600000000, 0.0001571300000000, -0.0023388300000000 ] - [ -0.0134867300000000, 0.0000455700000000, 0.0000000000000000 ] - [ -0.0066943100000000, -0.0000237700000000, 0.0000000000000000 ] - [ 0.0134870500000000, 0.0017118100000000, 0.0000000000000000 ] - [ 0.0078021000000000, -0.0003951600000000, 0.0000000000000000 ] - [ -0.0100980900000000, -0.0000143000000000, -0.0023125500000000 ] - [ -0.0100980900000000, -0.0000143000000000, 0.0023125500000000 ] - [ 0.0130564200000000, 0.0016296000000000, -0.0234661900000000 ] - [ 0.0130564200000000, 0.0016296000000000, 0.0234661900000000 ] - [ -0.0039200900000000, 0.0023792800000000, -0.0038649800000000 ] - [ 0.0031385400000000, -0.0186542000000000, 0.0185710400000000 ] - [ 0.0055907700000000, -0.0000483400000000, -0.0022263500000000 ] - [ 0.0055907700000000, -0.0000483400000000, 0.0022263500000000 ] - [ 0.0019250000000000, -0.0004670800000000, -0.0006638600000000 ] - [ 0.0029623400000000, 0.0002473600000000, 0.0008969200000000 ] - [ 0.0031385400000000, -0.0186542000000000, -0.0185710400000000 ] - [ -0.0039200900000000, 0.0023792800000000, 0.0038649800000000 ] - [ 0.0013161100000000, 0.0007467800000000, -0.0034828500000000 ] - [ 0.0013161100000000, 0.0007467800000000, 0.0034828500000000 ] - [ 0.0019268400000000, 0.0004173600000000, -0.0005914900000000 ] - [ 0.0025431600000000, -0.0003191000000000, 0.0006882900000000 ] - [ 0.0029623400000000, 0.0002473600000000, -0.0008969200000000 ] - [ 0.0019250000000000, -0.0004670800000000, 0.0006638600000000 ] - [ 0.0105632900000000, 0.0181811300000000, -0.0213638400000000 ] - [ -0.0031611900000000, -0.0030362300000000, 0.0044502000000000 ] - [ 0.0025431600000000, -0.0003191000000000, -0.0006882900000000 ] - [ 0.0019268400000000, 0.0004173600000000, 0.0005914900000000 ] - [ 0.0080624700000000, 0.0004303600000000, 0.0000000000000000 ] - [ 0.0030752900000000, -0.0000567200000000, 0.0000000000000000 ] - [ -0.2046809600000000, 0.0004707900000000, 0.0000000000000000 ] - [ -0.0100575000000000, -0.0002266900000000, 0.0000000000000000 ] - [ 0.0386485300000000, -0.0020871700000000, 0.0000000000000000 ] - [ -0.0006392600000000, -0.0001199500000000, 0.0000000000000000 ] - [ -0.0031611900000000, -0.0030362300000000, -0.0044502000000000 ] - [ 0.0105632900000000, 0.0181811300000000, 0.0213638400000000 ] - [ -0.0185830800000000, 0.0002166100000000, 0.0000147100000000 ] - [ -0.0185830800000000, 0.0002166100000000, -0.0000147100000000 ] - [ 0.0020088800000000, -0.0004124500000000, 0.0005842600000000 ] - [ 0.0026204600000000, 0.0003155700000000, -0.0006796800000000 ] - [ 0.0013722400000000, -0.0004736200000000, 0.0034684400000000 ] - [ 0.0013722400000000, -0.0004736200000000, -0.0034684400000000 ] - [ -0.0029193800000000, 0.0030247100000000, 0.0044423900000000 ] - [ 0.0107425700000000, -0.0179642000000000, -0.0211190300000000 ] - [ 0.0026204600000000, 0.0003155700000000, 0.0006796800000000 ] - [ 0.0020088800000000, -0.0004124500000000, -0.0005842600000000 ] - [ 0.0055725100000000, 0.0003142900000000, 0.0022060400000000 ] - [ 0.0055725100000000, 0.0003142900000000, -0.0022060400000000 ] - [ -0.0039701000000000, -0.0023623100000000, 0.0038638500000000 ] - [ 0.0031858600000000, 0.0185065700000000, -0.0184527900000000 ] - [ 0.0107425700000000, -0.0179642000000000, 0.0211190300000000 ] - [ -0.0029193800000000, 0.0030247100000000, -0.0044423900000000 ] - [ 0.0027390200000000, -0.0002446000000000, 0.0008860000000000 ] - [ 0.0017095100000000, 0.0004614400000000, -0.0006563200000000 ] - [ 0.0031858600000000, 0.0185065700000000, 0.0184527900000000 ] - [ -0.0039701000000000, -0.0023623100000000, -0.0038638500000000 ] - [ 0.0379900600000000, 0.0018246400000000, 0.0000000000000000 ] - [ -0.0005796900000000, -0.0001463500000000, 0.0000000000000000 ] - [ 0.0083228500000000, -0.0002261600000000, 0.0000000000000000 ] - [ 0.0053809200000000, -0.0002265900000000, 0.0000000000000000 ] - [ 0.0080288500000000, -0.0006917800000000, 0.0000000000000000 ] - [ 0.0030725600000000, -0.0002093000000000, 0.0000000000000000 ] - [ 0.0017095100000000, 0.0004614400000000, 0.0006563200000000 ] - [ 0.0027390200000000, -0.0002446000000000, -0.0008860000000000 ] - [ 0.0068712400000000, 0.0002265400000000, -0.0000028000000000 ] - [ 0.0068712400000000, 0.0002265400000000, 0.0000028000000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0039450900000000, 0.0001121000000000 ] - [ 0.0000000000000000, 0.0039450900000000, -0.0001121000000000 ] - [ 0.0000000000000000, 0.0027046900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001487200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001266600000000, -0.0000450200000000 ] - [ 0.0000000000000000, 0.0001266600000000, 0.0000450200000000 ] - [ 0.0000000000000000, -0.0001205500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001352100000000, 0.0000000000000000 ] - [ 0.0006854900000000, -0.0001851800000000, -0.0003616900000000 ] - [ 0.0003603100000000, -0.0000115600000000, 0.0000076900000000 ] - [ -0.0010083800000000, 0.0002914900000000, -0.0003031300000000 ] - [ -0.0005171000000000, -0.0000201000000000, -0.0000343400000000 ] - [ -0.0005171000000000, -0.0000201000000000, 0.0000343400000000 ] - [ -0.0010083800000000, 0.0002914900000000, 0.0003031300000000 ] - [ 0.0003603100000000, -0.0000115600000000, -0.0000076900000000 ] - [ 0.0006854900000000, -0.0001851800000000, 0.0003616900000000 ] - [ 0.0010083800000000, 0.0002914900000000, -0.0003031300000000 ] - [ 0.0005171000000000, -0.0000201000000000, -0.0000343400000000 ] - [ -0.0006854900000000, -0.0001851800000000, -0.0003616900000000 ] - [ -0.0003603100000000, -0.0000115600000000, 0.0000076900000000 ] - [ -0.0003603100000000, -0.0000115600000000, -0.0000076900000000 ] - [ -0.0006854900000000, -0.0001851800000000, 0.0003616900000000 ] - [ 0.0005171000000000, -0.0000201000000000, 0.0000343400000000 ] - [ 0.0010083800000000, 0.0002914900000000, 0.0003031300000000 ] - [ -0.0039055800000000, 0.0124132500000000, 0.0000000000000000 ] - [ -0.0002642700000000, 0.0000683200000000, 0.0000000000000000 ] - [ 0.0003032900000000, -0.0001771100000000, 0.0000000000000000 ] - [ 0.0000348300000000, -0.0000667900000000, 0.0000000000000000 ] - [ -0.0009702200000000, -0.0082255500000000, 0.0003295100000000 ] - [ -0.0009702200000000, -0.0082255500000000, -0.0003295100000000 ] - [ 0.0000993200000000, 0.0001084000000000, -0.0001968500000000 ] - [ 0.0000993200000000, 0.0001084000000000, 0.0001968500000000 ] - [ -0.0003032900000000, -0.0001771100000000, 0.0000000000000000 ] - [ -0.0000348300000000, -0.0000667900000000, 0.0000000000000000 ] - [ 0.0039055800000000, 0.0124132500000000, 0.0000000000000000 ] - [ 0.0002642700000000, 0.0000683200000000, 0.0000000000000000 ] - [ -0.0000993200000000, 0.0001084000000000, -0.0001968500000000 ] - [ -0.0000993200000000, 0.0001084000000000, 0.0001968500000000 ] - [ 0.0009702200000000, -0.0082255500000000, 0.0003295100000000 ] - [ 0.0009702200000000, -0.0082255500000000, -0.0003295100000000 ] - [ 0.0002533600000000, 0.0004585300000000, -0.0001656700000000 ] - [ -0.0091130000000000, 0.0097104700000000, -0.0095565500000000 ] - [ 0.0001522000000000, 0.0000426200000000, 0.0001084600000000 ] - [ 0.0001522000000000, 0.0000426200000000, -0.0001084600000000 ] - [ 0.0001360000000000, 0.0000245900000000, 0.0000403900000000 ] - [ 0.0000436700000000, -0.0000058200000000, -0.0000844500000000 ] - [ -0.0091130000000000, 0.0097104700000000, 0.0095565500000000 ] - [ 0.0002533600000000, 0.0004585300000000, 0.0001656700000000 ] - [ 0.0003465300000000, 0.0013844900000000, 0.0000492800000000 ] - [ 0.0003465300000000, 0.0013844900000000, -0.0000492800000000 ] - [ -0.0000309500000000, -0.0000269700000000, 0.0000415300000000 ] - [ -0.0000489800000000, 0.0000328600000000, -0.0000736500000000 ] - [ 0.0000436700000000, -0.0000058200000000, 0.0000844500000000 ] - [ 0.0001360000000000, 0.0000245900000000, -0.0000403900000000 ] - [ 0.0095497100000000, 0.0026500000000000, -0.0066900500000000 ] - [ -0.0001262400000000, 0.0006532300000000, -0.0002213500000000 ] - [ -0.0000489800000000, 0.0000328600000000, 0.0000736500000000 ] - [ -0.0000309500000000, -0.0000269700000000, -0.0000415300000000 ] - [ -0.0000011000000000, 0.0002341100000000, 0.0000000000000000 ] - [ 0.0001307300000000, -0.0001373400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0723547800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002374200000000, 0.0000000000000000 ] - [ -0.0039339000000000, 0.0032292400000000, 0.0000000000000000 ] - [ 0.0001178400000000, -0.0001186600000000, 0.0000000000000000 ] - [ -0.0001262400000000, 0.0006532300000000, 0.0002213500000000 ] - [ 0.0095497100000000, 0.0026500000000000, 0.0066900500000000 ] - [ 0.0000000000000000, 0.0018576700000000, -0.0012939200000000 ] - [ 0.0000000000000000, 0.0018576700000000, 0.0012939200000000 ] - [ 0.0000309500000000, -0.0000269700000000, 0.0000415300000000 ] - [ 0.0000489800000000, 0.0000328600000000, -0.0000736500000000 ] - [ -0.0003465300000000, 0.0013844900000000, 0.0000492800000000 ] - [ -0.0003465300000000, 0.0013844900000000, -0.0000492800000000 ] - [ 0.0001262400000000, 0.0006532300000000, 0.0002213500000000 ] - [ -0.0095497100000000, 0.0026500000000000, 0.0066900500000000 ] - [ 0.0000489800000000, 0.0000328600000000, 0.0000736500000000 ] - [ 0.0000309500000000, -0.0000269700000000, -0.0000415300000000 ] - [ -0.0001522000000000, 0.0000426200000000, 0.0001084600000000 ] - [ -0.0001522000000000, 0.0000426200000000, -0.0001084600000000 ] - [ -0.0002533600000000, 0.0004585300000000, -0.0001656700000000 ] - [ 0.0091130000000000, 0.0097104700000000, -0.0095565500000000 ] - [ -0.0095497100000000, 0.0026500000000000, -0.0066900500000000 ] - [ 0.0001262400000000, 0.0006532300000000, -0.0002213500000000 ] - [ -0.0000436700000000, -0.0000058200000000, 0.0000844500000000 ] - [ -0.0001360000000000, 0.0000245900000000, -0.0000403900000000 ] - [ 0.0091130000000000, 0.0097104700000000, 0.0095565500000000 ] - [ -0.0002533600000000, 0.0004585300000000, 0.0001656700000000 ] - [ 0.0039339000000000, 0.0032292400000000, 0.0000000000000000 ] - [ -0.0001178400000000, -0.0001186600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001932700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002254100000000, 0.0000000000000000 ] - [ 0.0000011000000000, 0.0002341100000000, 0.0000000000000000 ] - [ -0.0001307300000000, -0.0001373400000000, 0.0000000000000000 ] - [ -0.0001360000000000, 0.0000245900000000, 0.0000403900000000 ] - [ -0.0000436700000000, -0.0000058200000000, -0.0000844500000000 ] - [ 0.0000000000000000, 0.0002179100000000, 0.0000371600000000 ] - [ 0.0000000000000000, 0.0002179100000000, -0.0000371600000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0036788500000000, -0.0001351100000000 ] - [ 0.0000000000000000, -0.0036788500000000, 0.0001351100000000 ] - [ 0.0000000000000000, -0.0017398400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001154200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001367800000000, 0.0000424300000000 ] - [ 0.0000000000000000, 0.0001367800000000, -0.0000424300000000 ] - [ 0.0000000000000000, -0.0001429200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001285000000000, 0.0000000000000000 ] - [ 0.0001519900000000, 0.0001737300000000, 0.0003470100000000 ] - [ 0.0004792100000000, 0.0000106900000000, -0.0000066600000000 ] - [ 0.0001654800000000, -0.0002818500000000, 0.0002913500000000 ] - [ -0.0003279900000000, 0.0000208800000000, 0.0000353900000000 ] - [ -0.0003279900000000, 0.0000208800000000, -0.0000353900000000 ] - [ 0.0001654800000000, -0.0002818500000000, -0.0002913500000000 ] - [ 0.0004792100000000, 0.0000106900000000, 0.0000066600000000 ] - [ 0.0001519900000000, 0.0001737300000000, -0.0003470100000000 ] - [ -0.0001654800000000, -0.0002818500000000, 0.0002913500000000 ] - [ 0.0003279900000000, 0.0000208800000000, 0.0000353900000000 ] - [ -0.0001519900000000, 0.0001737300000000, 0.0003470100000000 ] - [ -0.0004792100000000, 0.0000106900000000, -0.0000066600000000 ] - [ -0.0004792100000000, 0.0000106900000000, 0.0000066600000000 ] - [ -0.0001519900000000, 0.0001737300000000, -0.0003470100000000 ] - [ 0.0003279900000000, 0.0000208800000000, -0.0000353900000000 ] - [ -0.0001654800000000, -0.0002818500000000, -0.0002913500000000 ] - [ 0.0035216300000000, -0.0124977500000000, 0.0000000000000000 ] - [ -0.0000646800000000, -0.0002135500000000, 0.0000000000000000 ] - [ 0.0000251800000000, 0.0000333300000000, 0.0000000000000000 ] - [ 0.0002750800000000, -0.0000769800000000, 0.0000000000000000 ] - [ 0.0005959300000000, 0.0084069000000000, -0.0003026800000000 ] - [ 0.0005959300000000, 0.0084069000000000, 0.0003026800000000 ] - [ 0.0002197000000000, 0.0000354200000000, 0.0001849100000000 ] - [ 0.0002197000000000, 0.0000354200000000, -0.0001849100000000 ] - [ -0.0000251800000000, 0.0000333300000000, 0.0000000000000000 ] - [ -0.0002750800000000, -0.0000769800000000, 0.0000000000000000 ] - [ -0.0035216300000000, -0.0124977500000000, 0.0000000000000000 ] - [ 0.0000646800000000, -0.0002135500000000, 0.0000000000000000 ] - [ -0.0002197000000000, 0.0000354200000000, 0.0001849100000000 ] - [ -0.0002197000000000, 0.0000354200000000, -0.0001849100000000 ] - [ -0.0005959300000000, 0.0084069000000000, -0.0003026800000000 ] - [ -0.0005959300000000, 0.0084069000000000, 0.0003026800000000 ] - [ -0.0001695500000000, -0.0004556700000000, 0.0001613300000000 ] - [ 0.0093593600000000, -0.0097042000000000, 0.0096699800000000 ] - [ -0.0001269300000000, 0.0002211700000000, -0.0001002100000000 ] - [ -0.0001269300000000, 0.0002211700000000, 0.0001002100000000 ] - [ 0.0000812500000000, -0.0000222800000000, -0.0000372900000000 ] - [ 0.0001694300000000, 0.0000048400000000, 0.0000796300000000 ] - [ 0.0093593600000000, -0.0097042000000000, -0.0096699800000000 ] - [ -0.0001695500000000, -0.0004556700000000, -0.0001613300000000 ] - [ -0.0003448900000000, -0.0011232800000000, -0.0000488900000000 ] - [ -0.0003448900000000, -0.0011232800000000, 0.0000488900000000 ] - [ -0.0000502800000000, 0.0000247600000000, -0.0000384700000000 ] - [ -0.0000331900000000, -0.0000315500000000, 0.0000699300000000 ] - [ 0.0001694300000000, 0.0000048400000000, -0.0000796300000000 ] - [ 0.0000812500000000, -0.0000222800000000, 0.0000372900000000 ] - [ -0.0097295800000000, -0.0027208000000000, 0.0066970400000000 ] - [ -0.0000838900000000, -0.0006598100000000, 0.0002293500000000 ] - [ -0.0000331900000000, -0.0000315500000000, -0.0000699300000000 ] - [ -0.0000502800000000, 0.0000247600000000, 0.0000384700000000 ] - [ 0.0000199100000000, -0.0005011000000000, 0.0000000000000000 ] - [ -0.0001003600000000, -0.0001275000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0707287700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002171000000000, 0.0000000000000000 ] - [ 0.0037548000000000, -0.0035018800000000, 0.0000000000000000 ] - [ -0.0001275900000000, -0.0001483800000000, 0.0000000000000000 ] - [ -0.0000838900000000, -0.0006598100000000, -0.0002293500000000 ] - [ -0.0097295800000000, -0.0027208000000000, -0.0066970400000000 ] - [ 0.0000000000000000, -0.0014056300000000, 0.0012627300000000 ] - [ 0.0000000000000000, -0.0014056300000000, -0.0012627300000000 ] - [ 0.0000502800000000, 0.0000247600000000, -0.0000384700000000 ] - [ 0.0000331900000000, -0.0000315500000000, 0.0000699300000000 ] - [ 0.0003448900000000, -0.0011232800000000, -0.0000488900000000 ] - [ 0.0003448900000000, -0.0011232800000000, 0.0000488900000000 ] - [ 0.0000838900000000, -0.0006598100000000, -0.0002293500000000 ] - [ 0.0097295800000000, -0.0027208000000000, -0.0066970400000000 ] - [ 0.0000331900000000, -0.0000315500000000, -0.0000699300000000 ] - [ 0.0000502800000000, 0.0000247600000000, 0.0000384700000000 ] - [ 0.0001269300000000, 0.0002211700000000, -0.0001002100000000 ] - [ 0.0001269300000000, 0.0002211700000000, 0.0001002100000000 ] - [ 0.0001695500000000, -0.0004556700000000, 0.0001613300000000 ] - [ -0.0093593600000000, -0.0097042000000000, 0.0096699800000000 ] - [ 0.0097295800000000, -0.0027208000000000, 0.0066970400000000 ] - [ 0.0000838900000000, -0.0006598100000000, 0.0002293500000000 ] - [ -0.0001694300000000, 0.0000048400000000, -0.0000796300000000 ] - [ -0.0000812500000000, -0.0000222800000000, 0.0000372900000000 ] - [ -0.0093593600000000, -0.0097042000000000, -0.0096699800000000 ] - [ 0.0001695500000000, -0.0004556700000000, -0.0001613300000000 ] - [ -0.0037548000000000, -0.0035018800000000, 0.0000000000000000 ] - [ 0.0001275900000000, -0.0001483800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002602500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002272300000000, 0.0000000000000000 ] - [ -0.0000199100000000, -0.0005011000000000, 0.0000000000000000 ] - [ 0.0001003600000000, -0.0001275000000000, 0.0000000000000000 ] - [ -0.0000812500000000, -0.0000222800000000, -0.0000372900000000 ] - [ -0.0001694300000000, 0.0000048400000000, 0.0000796300000000 ] - [ 0.0000000000000000, 0.0002348500000000, -0.0000344000000000 ] - [ 0.0000000000000000, 0.0002348500000000, 0.0000344000000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000473500000000, -0.0071341900000000 ] - [ 0.0000000000000000, 0.0002901600000000, -0.0068211700000000 ] - [ 0.0000000000000000, -0.0001762500000000, 0.0101209700000000 ] - [ 0.0000000000000000, -0.0001353900000000, -0.0032144600000000 ] - [ 0.0000000000000000, 0.0001206200000000, -0.0000047200000000 ] - [ 0.0000000000000000, 0.0001493900000000, -0.0000009700000000 ] - [ 0.0000000000000000, -0.0001350600000000, 0.0002666400000000 ] - [ 0.0000000000000000, -0.0001349100000000, -0.0002622800000000 ] - [ 0.0010446900000000, 0.0001886500000000, 0.0005512400000000 ] - [ 0.0000439600000000, -0.0002575000000000, -0.0005778900000000 ] - [ 0.0006213800000000, -0.0004063700000000, 0.0007046900000000 ] - [ -0.0007964800000000, 0.0002740800000000, -0.0005833600000000 ] - [ -0.0000516700000000, -0.0002741300000000, -0.0005864200000000 ] - [ -0.0014650300000000, 0.0004192200000000, 0.0007176000000000 ] - [ 0.0007911200000000, 0.0002572900000000, -0.0005807100000000 ] - [ -0.0002019800000000, -0.0002010600000000, 0.0005688300000000 ] - [ -0.0006213800000000, -0.0004063700000000, 0.0007046900000000 ] - [ 0.0007964800000000, 0.0002740800000000, -0.0005833600000000 ] - [ -0.0010446900000000, 0.0001886500000000, 0.0005512400000000 ] - [ -0.0000439600000000, -0.0002575000000000, -0.0005778900000000 ] - [ -0.0007911200000000, 0.0002572900000000, -0.0005807100000000 ] - [ 0.0002019800000000, -0.0002010600000000, 0.0005688300000000 ] - [ 0.0000516700000000, -0.0002741300000000, -0.0005864200000000 ] - [ 0.0014650300000000, 0.0004192200000000, 0.0007176000000000 ] - [ -0.0002294200000000, -0.0000608900000000, 0.0221132600000000 ] - [ -0.0001701600000000, -0.0000735200000000, -0.0089811600000000 ] - [ 0.0001518800000000, -0.0000702500000000, 0.0010745500000000 ] - [ 0.0001387400000000, -0.0000689900000000, -0.0010297400000000 ] - [ 0.0026867200000000, 0.0007646200000000, -0.0086943100000000 ] - [ -0.0030287300000000, -0.0006213800000000, -0.0086544400000000 ] - [ 0.0012798700000000, 0.0000350700000000, -0.0000514400000000 ] - [ -0.0009887700000000, 0.0001040800000000, -0.0000374700000000 ] - [ -0.0001518800000000, -0.0000702500000000, 0.0010745500000000 ] - [ -0.0001387400000000, -0.0000689900000000, -0.0010297400000000 ] - [ 0.0002294200000000, -0.0000608900000000, 0.0221132600000000 ] - [ 0.0001701600000000, -0.0000735200000000, -0.0089811600000000 ] - [ -0.0012798700000000, 0.0000350700000000, -0.0000514400000000 ] - [ 0.0009887700000000, 0.0001040800000000, -0.0000374700000000 ] - [ -0.0026867200000000, 0.0007646200000000, -0.0086943100000000 ] - [ 0.0030287300000000, -0.0006213800000000, -0.0086544400000000 ] - [ -0.0009500100000000, -0.0017580400000000, 0.0041572800000000 ] - [ 0.0098600400000000, -0.0080719100000000, 0.0021640500000000 ] - [ -0.0010878800000000, 0.0002313500000000, 0.0002023900000000 ] - [ 0.0011466000000000, 0.0000309600000000, 0.0001922700000000 ] - [ -0.0000241400000000, 0.0002387900000000, 0.0003772900000000 ] - [ 0.0002609600000000, -0.0002367500000000, -0.0003714400000000 ] - [ -0.0096987100000000, 0.0080253700000000, 0.0022071600000000 ] - [ 0.0010482200000000, 0.0017450600000000, 0.0041557100000000 ] - [ -0.0026429000000000, -0.0003262400000000, 0.0013411800000000 ] - [ 0.0026101300000000, 0.0005934700000000, 0.0013381800000000 ] - [ -0.0001142700000000, -0.0002185900000000, 0.0003438900000000 ] - [ 0.0000414000000000, 0.0002112300000000, -0.0003378900000000 ] - [ -0.0000414600000000, 0.0002359000000000, -0.0003663000000000 ] - [ 0.0002486700000000, -0.0002362800000000, 0.0003737500000000 ] - [ -0.0117789500000000, -0.0052243300000000, 0.0022948500000000 ] - [ 0.0004220200000000, -0.0024751500000000, 0.0039932300000000 ] - [ -0.0001188000000000, -0.0002096700000000, -0.0003338100000000 ] - [ 0.0000384200000000, 0.0002161600000000, 0.0003403400000000 ] - [ 0.0000250500000000, -0.0001314100000000, -0.0009464100000000 ] - [ 0.0000345100000000, -0.0001317900000000, 0.0007594800000000 ] - [ 0.0000000000000000, -0.0001404400000000, -0.0557999500000000 ] - [ 0.0000000000000000, -0.0002252700000000, 0.0047390200000000 ] - [ -0.0001115800000000, -0.0001249100000000, 0.0020866800000000 ] - [ -0.0000165900000000, -0.0001320100000000, 0.0011116700000000 ] - [ -0.0006297300000000, 0.0024856100000000, 0.0040027100000000 ] - [ 0.0116338400000000, 0.0052328700000000, 0.0022417700000000 ] - [ 0.0000000000000000, -0.0010397200000000, 0.0017628300000000 ] - [ 0.0000000000000000, 0.0015170000000000, 0.0017570200000000 ] - [ 0.0001142700000000, -0.0002185900000000, 0.0003438900000000 ] - [ -0.0000414000000000, 0.0002112300000000, -0.0003378900000000 ] - [ 0.0026429000000000, -0.0003262400000000, 0.0013411800000000 ] - [ -0.0026101300000000, 0.0005934700000000, 0.0013381800000000 ] - [ 0.0006297300000000, 0.0024856100000000, 0.0040027100000000 ] - [ -0.0116338400000000, 0.0052328700000000, 0.0022417700000000 ] - [ 0.0001188000000000, -0.0002096700000000, -0.0003338100000000 ] - [ -0.0000384200000000, 0.0002161600000000, 0.0003403400000000 ] - [ 0.0010878800000000, 0.0002313500000000, 0.0002023900000000 ] - [ -0.0011466000000000, 0.0000309600000000, 0.0001922700000000 ] - [ 0.0009500100000000, -0.0017580400000000, 0.0041572800000000 ] - [ -0.0098600400000000, -0.0080719100000000, 0.0021640500000000 ] - [ 0.0117789500000000, -0.0052243300000000, 0.0022948500000000 ] - [ -0.0004220200000000, -0.0024751500000000, 0.0039932300000000 ] - [ 0.0000414600000000, 0.0002359000000000, -0.0003663000000000 ] - [ -0.0002486700000000, -0.0002362800000000, 0.0003737500000000 ] - [ 0.0096987100000000, 0.0080253700000000, 0.0022071600000000 ] - [ -0.0010482200000000, 0.0017450600000000, 0.0041557100000000 ] - [ 0.0001115800000000, -0.0001249100000000, 0.0020866800000000 ] - [ 0.0000165900000000, -0.0001320100000000, 0.0011116700000000 ] - [ 0.0000000000000000, -0.0002266300000000, -0.0002525500000000 ] - [ 0.0000000000000000, -0.0002265300000000, 0.0002411600000000 ] - [ -0.0000250500000000, -0.0001314100000000, -0.0009464100000000 ] - [ -0.0000345100000000, -0.0001317900000000, 0.0007594800000000 ] - [ 0.0000241400000000, 0.0002387900000000, 0.0003772900000000 ] - [ -0.0002609600000000, -0.0002367500000000, -0.0003714400000000 ] - [ 0.0000000000000000, 0.0002623600000000, 0.0000215200000000 ] - [ 0.0000000000000000, 0.0001907800000000, 0.0000186100000000 ]