# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/4db6deb6-1c53-492f-9146-bda16aa42ca6/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 Ba3Ta6(Si2O13)2 / P-62m (189) / materials id 6169](https://mdr.nims.go.jp/datasets/fd7107fb-42c6-4bff-9afa-9e57ff47e263) ## 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: "P-62m" number: 189 Hall_symbol: "P -6 -2"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 9.041931450000000, 0.000000000000000, 0.000000000000000 ] # a - [ -4.520965730000000, 7.830542340000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 7.736299170000000 ] # c points: - symbol: O # 1 coordinates: [ 0.774319140000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.225680860000000, 0.225680860000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.000000000000000, 0.774319140000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.304923720000000, 0.487084190000000, 0.713191610000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.182160480000000, 0.695076280000000, 0.713191610000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.512915810000000, 0.817839520000000, 0.713191610000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.817839520000000, 0.512915810000000, 0.286808390000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.512915810000000, 0.817839520000000, 0.286808390000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.304923720000000, 0.487084190000000, 0.286808390000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.182160480000000, 0.695076280000000, 0.286808390000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.487084190000000, 0.304923720000000, 0.713191610000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.695076280000000, 0.182160480000000, 0.713191610000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.695076280000000, 0.182160480000000, 0.286808390000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.333333330000000, 0.666666670000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.666666670000000, 0.333333330000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.000000000000000, 0.718456910000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.281543090000000, 0.281543090000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.718456910000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.000000000000000, 0.178299800000000, 0.768221430000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.821700200000000, 0.821700200000000, 0.231778570000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.178299800000000, 0.000000000000000, 0.231778570000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.178299800000000, 0.000000000000000, 0.768221430000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.821700200000000, 0.821700200000000, 0.768221430000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.000000000000000, 0.178299800000000, 0.231778570000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.817839520000000, 0.512915810000000, 0.713191610000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.487084190000000, 0.304923720000000, 0.286808390000000 ] mass: 15.999400 - symbol: Si # 27 coordinates: [ 0.666666670000000, 0.333333330000000, 0.792237510000000 ] mass: 28.085500 - symbol: Si # 28 coordinates: [ 0.666666670000000, 0.333333330000000, 0.207762490000000 ] mass: 28.085500 - symbol: Si # 29 coordinates: [ 0.333333330000000, 0.666666670000000, 0.207762490000000 ] mass: 28.085500 - symbol: Si # 30 coordinates: [ 0.333333330000000, 0.666666670000000, 0.792237510000000 ] mass: 28.085500 - symbol: Ba # 31 coordinates: [ 0.604363840000000, 0.604363840000000, 0.500000000000000 ] mass: 137.327000 - symbol: Ba # 32 coordinates: [ 0.395636160000000, 0.000000000000000, 0.500000000000000 ] mass: 137.327000 - symbol: Ba # 33 coordinates: [ 0.000000000000000, 0.395636160000000, 0.500000000000000 ] mass: 137.327000 - symbol: Ta # 34 coordinates: [ 0.761596590000000, 0.000000000000000, 0.244335470000000 ] mass: 180.947880 - symbol: Ta # 35 coordinates: [ 0.238403410000000, 0.238403410000000, 0.244335470000000 ] mass: 180.947880 - symbol: Ta # 36 coordinates: [ 0.000000000000000, 0.761596590000000, 0.755664530000000 ] mass: 180.947880 - symbol: Ta # 37 coordinates: [ 0.238403410000000, 0.238403410000000, 0.755664530000000 ] mass: 180.947880 - symbol: Ta # 38 coordinates: [ 0.000000000000000, 0.761596590000000, 0.244335470000000 ] mass: 180.947880 - symbol: Ta # 39 coordinates: [ 0.761596590000000, 0.000000000000000, 0.755664530000000 ] mass: 180.947880 reciprocal_lattice: # without 2pi - [ 0.110595839564787, 0.063852537773645, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.127705075406054, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.129260771594488 ] # c*unit_cell: lattice: - [ 9.041931450000000, 0.000000000000000, 0.000000000000000 ] # a - [ -4.520965730000000, 7.830542340000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 7.736299170000000 ] # c points: - symbol: O # 1 coordinates: [ 0.774319140000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.225680860000000, 0.225680860000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.000000000000000, 0.774319140000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.304923720000000, 0.487084190000000, 0.713191610000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.182160480000000, 0.695076280000000, 0.713191610000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.512915810000000, 0.817839520000000, 0.713191610000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.817839520000000, 0.512915810000000, 0.286808390000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.512915810000000, 0.817839520000000, 0.286808390000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.304923720000000, 0.487084190000000, 0.286808390000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.182160480000000, 0.695076280000000, 0.286808390000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.487084190000000, 0.304923720000000, 0.713191610000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.695076280000000, 0.182160480000000, 0.713191610000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.695076280000000, 0.182160480000000, 0.286808390000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.333333330000000, 0.666666670000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.666666670000000, 0.333333330000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.000000000000000, 0.718456910000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.281543090000000, 0.281543090000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.718456910000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.000000000000000, 0.178299800000000, 0.768221430000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.821700200000000, 0.821700200000000, 0.231778570000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.178299800000000, 0.000000000000000, 0.231778570000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.178299800000000, 0.000000000000000, 0.768221430000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.821700200000000, 0.821700200000000, 0.768221430000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.000000000000000, 0.178299800000000, 0.231778570000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.817839520000000, 0.512915810000000, 0.713191610000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.487084190000000, 0.304923720000000, 0.286808390000000 ] mass: 15.999400 reduced_to: 26 - symbol: Si # 27 coordinates: [ 0.666666670000000, 0.333333330000000, 0.792237510000000 ] mass: 28.085500 reduced_to: 27 - symbol: Si # 28 coordinates: [ 0.666666670000000, 0.333333330000000, 0.207762490000000 ] mass: 28.085500 reduced_to: 28 - symbol: Si # 29 coordinates: [ 0.333333330000000, 0.666666670000000, 0.207762490000000 ] mass: 28.085500 reduced_to: 29 - symbol: Si # 30 coordinates: [ 0.333333330000000, 0.666666670000000, 0.792237510000000 ] mass: 28.085500 reduced_to: 30 - symbol: Ba # 31 coordinates: [ 0.604363840000000, 0.604363840000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 31 - symbol: Ba # 32 coordinates: [ 0.395636160000000, 0.000000000000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 32 - symbol: Ba # 33 coordinates: [ 0.000000000000000, 0.395636160000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 33 - symbol: Ta # 34 coordinates: [ 0.761596590000000, 0.000000000000000, 0.244335470000000 ] mass: 180.947880 reduced_to: 34 - symbol: Ta # 35 coordinates: [ 0.238403410000000, 0.238403410000000, 0.244335470000000 ] mass: 180.947880 reduced_to: 35 - symbol: Ta # 36 coordinates: [ 0.000000000000000, 0.761596590000000, 0.755664530000000 ] mass: 180.947880 reduced_to: 36 - symbol: Ta # 37 coordinates: [ 0.238403410000000, 0.238403410000000, 0.755664530000000 ] mass: 180.947880 reduced_to: 37 - symbol: Ta # 38 coordinates: [ 0.000000000000000, 0.761596590000000, 0.244335470000000 ] mass: 180.947880 reduced_to: 38 - symbol: Ta # 39 coordinates: [ 0.761596590000000, 0.000000000000000, 0.755664530000000 ] mass: 180.947880 reduced_to: 39supercell: lattice: - [ 9.041931450000000, 0.000000000000000, 0.000000000000000 ] # a - [ -4.520965730000000, 7.830542340000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 15.472598339999999 ] # c points: - symbol: O # 1 coordinates: [ 0.774319140000000, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.774319140000000, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.225680860000000, 0.225680860000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.225680860000000, 0.225680860000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 5 coordinates: [ 0.000000000000000, 0.774319140000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.000000000000000, 0.774319140000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 7 coordinates: [ 0.304923720000000, 0.487084190000000, 0.356595805000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.304923720000000, 0.487084190000000, 0.856595805000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 9 coordinates: [ 0.182160480000000, 0.695076280000000, 0.356595805000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.182160480000000, 0.695076280000000, 0.856595805000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.512915810000000, 0.817839520000000, 0.356595805000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.512915810000000, 0.817839520000000, 0.856595805000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 13 coordinates: [ 0.817839520000000, 0.512915810000000, 0.143404195000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.817839520000000, 0.512915810000000, 0.643404195000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.512915810000000, 0.817839520000000, 0.143404195000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.512915810000000, 0.817839520000000, 0.643404195000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 17 coordinates: [ 0.304923720000000, 0.487084190000000, 0.143404195000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.304923720000000, 0.487084190000000, 0.643404195000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.182160480000000, 0.695076280000000, 0.143404195000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.182160480000000, 0.695076280000000, 0.643404195000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 21 coordinates: [ 0.487084190000000, 0.304923720000000, 0.356595805000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.487084190000000, 0.304923720000000, 0.856595805000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.695076280000000, 0.182160480000000, 0.356595805000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.695076280000000, 0.182160480000000, 0.856595805000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 25 coordinates: [ 0.695076280000000, 0.182160480000000, 0.143404195000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.695076280000000, 0.182160480000000, 0.643404195000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.333333330000000, 0.666666670000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.333333330000000, 0.666666670000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 29 coordinates: [ 0.666666670000000, 0.333333330000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.666666670000000, 0.333333330000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 31 coordinates: [ 0.000000000000000, 0.718456910000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.000000000000000, 0.718456910000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 33 coordinates: [ 0.281543090000000, 0.281543090000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.281543090000000, 0.281543090000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.718456910000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.718456910000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 37 coordinates: [ 0.000000000000000, 0.178299800000000, 0.384110715000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.000000000000000, 0.178299800000000, 0.884110715000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.821700200000000, 0.821700200000000, 0.115889285000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.821700200000000, 0.821700200000000, 0.615889285000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 41 coordinates: [ 0.178299800000000, 0.000000000000000, 0.115889285000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.178299800000000, 0.000000000000000, 0.615889285000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.178299800000000, 0.000000000000000, 0.384110715000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.178299800000000, 0.000000000000000, 0.884110715000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.821700200000000, 0.821700200000000, 0.384110715000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.821700200000000, 0.821700200000000, 0.884110715000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.000000000000000, 0.178299800000000, 0.115889285000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.000000000000000, 0.178299800000000, 0.615889285000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.817839520000000, 0.512915810000000, 0.356595805000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.817839520000000, 0.512915810000000, 0.856595805000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.487084190000000, 0.304923720000000, 0.143404195000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.487084190000000, 0.304923720000000, 0.643404195000000 ] mass: 15.999400 reduced_to: 51 - symbol: Si # 53 coordinates: [ 0.666666670000000, 0.333333330000000, 0.396118755000000 ] mass: 28.085500 reduced_to: 53 - symbol: Si # 54 coordinates: [ 0.666666670000000, 0.333333330000000, 0.896118755000000 ] mass: 28.085500 reduced_to: 53 - symbol: Si # 55 coordinates: [ 0.666666670000000, 0.333333330000000, 0.103881245000000 ] mass: 28.085500 reduced_to: 55 - symbol: Si # 56 coordinates: [ 0.666666670000000, 0.333333330000000, 0.603881245000000 ] mass: 28.085500 reduced_to: 55 - symbol: Si # 57 coordinates: [ 0.333333330000000, 0.666666670000000, 0.103881245000000 ] mass: 28.085500 reduced_to: 57 - symbol: Si # 58 coordinates: [ 0.333333330000000, 0.666666670000000, 0.603881245000000 ] mass: 28.085500 reduced_to: 57 - symbol: Si # 59 coordinates: [ 0.333333330000000, 0.666666670000000, 0.396118755000000 ] mass: 28.085500 reduced_to: 59 - symbol: Si # 60 coordinates: [ 0.333333330000000, 0.666666670000000, 0.896118755000000 ] mass: 28.085500 reduced_to: 59 - symbol: Ba # 61 coordinates: [ 0.604363840000000, 0.604363840000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 61 - symbol: Ba # 62 coordinates: [ 0.604363840000000, 0.604363840000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 61 - symbol: Ba # 63 coordinates: [ 0.395636160000000, 0.000000000000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 63 - symbol: Ba # 64 coordinates: [ 0.395636160000000, 0.000000000000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 63 - symbol: Ba # 65 coordinates: [ 0.000000000000000, 0.395636160000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 65 - symbol: Ba # 66 coordinates: [ 0.000000000000000, 0.395636160000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 65 - symbol: Ta # 67 coordinates: [ 0.761596590000000, 0.000000000000000, 0.122167735000000 ] mass: 180.947880 reduced_to: 67 - symbol: Ta # 68 coordinates: [ 0.761596590000000, 0.000000000000000, 0.622167735000000 ] mass: 180.947880 reduced_to: 67 - symbol: Ta # 69 coordinates: [ 0.238403410000000, 0.238403410000000, 0.122167735000000 ] mass: 180.947880 reduced_to: 69 - symbol: Ta # 70 coordinates: [ 0.238403410000000, 0.238403410000000, 0.622167735000000 ] mass: 180.947880 reduced_to: 69 - symbol: Ta # 71 coordinates: [ 0.000000000000000, 0.761596590000000, 0.377832265000000 ] mass: 180.947880 reduced_to: 71 - symbol: Ta # 72 coordinates: [ 0.000000000000000, 0.761596590000000, 0.877832265000000 ] mass: 180.947880 reduced_to: 71 - symbol: Ta # 73 coordinates: [ 0.238403410000000, 0.238403410000000, 0.377832265000000 ] mass: 180.947880 reduced_to: 73 - symbol: Ta # 74 coordinates: [ 0.238403410000000, 0.238403410000000, 0.877832265000000 ] mass: 180.947880 reduced_to: 73 - symbol: Ta # 75 coordinates: [ 0.000000000000000, 0.761596590000000, 0.122167735000000 ] mass: 180.947880 reduced_to: 75 - symbol: Ta # 76 coordinates: [ 0.000000000000000, 0.761596590000000, 0.622167735000000 ] mass: 180.947880 reduced_to: 75 - symbol: Ta # 77 coordinates: [ 0.761596590000000, 0.000000000000000, 0.377832265000000 ] mass: 180.947880 reduced_to: 77 - symbol: Ta # 78 coordinates: [ 0.761596590000000, 0.000000000000000, 0.877832265000000 ] mass: 180.947880 reduced_to: 77displacements:- atom: 1 displacement: [ -0.0050000000017421, 0.0086602540368386, 0.0000000000000000 ] forces: - [ -0.0294277200000000, -0.0442534400000000, 0.0000000000000000 ] - [ -0.0568866100000000, 0.0008393300000000, 0.0000000000000000 ] - [ 0.0287398600000000, 0.0491175700000000, 0.0000000000000000 ] - [ 0.0284085300000000, 0.0493291000000000, 0.0000000000000000 ] - [ 0.0270459400000000, -0.0488045200000000, 0.0000000000000000 ] - [ 0.0284976500000000, -0.0492609600000000, 0.0000000000000000 ] - [ -0.0009803800000000, 0.0024564000000000, -0.0006596900000000 ] - [ -0.0017423700000000, 0.0014610800000000, -0.0005772900000000 ] - [ 0.0014873200000000, 0.0018896200000000, 0.0001217600000000 ] - [ 0.0018370100000000, 0.0008396800000000, -0.0004452800000000 ] - [ 0.0054326900000000, -0.0017162900000000, -0.0043440000000000 ] - [ -0.0001049300000000, -0.0019957900000000, -0.0004832600000000 ] - [ -0.0025004000000000, 0.0023994300000000, 0.0007281500000000 ] - [ -0.0014426200000000, -0.0006820500000000, 0.0008589600000000 ] - [ 0.0054326900000000, -0.0017162900000000, 0.0043440000000000 ] - [ -0.0001049300000000, -0.0019957900000000, 0.0004832600000000 ] - [ -0.0009803800000000, 0.0024564000000000, 0.0006596900000000 ] - [ -0.0017423700000000, 0.0014610800000000, 0.0005772900000000 ] - [ 0.0014873200000000, 0.0018896200000000, -0.0001217600000000 ] - [ 0.0018370100000000, 0.0008396800000000, 0.0004452800000000 ] - [ -0.0001343000000000, 0.0006244000000000, -0.0013328000000000 ] - [ 0.0015855000000000, -0.0008558400000000, -0.0009707700000000 ] - [ -0.0122559100000000, 0.0125167100000000, 0.0126574900000000 ] - [ -0.0002240000000000, 0.0020679900000000, -0.0010783600000000 ] - [ -0.0122559100000000, 0.0125167100000000, -0.0126574900000000 ] - [ -0.0002240000000000, 0.0020679900000000, 0.0010783600000000 ] - [ 0.0001596500000000, 0.0004544100000000, 0.0007016700000000 ] - [ 0.0001596500000000, 0.0004544100000000, -0.0007016700000000 ] - [ -0.0008764800000000, 0.0013768800000000, -0.0027111300000000 ] - [ -0.0008764800000000, 0.0013768800000000, 0.0027111300000000 ] - [ 0.0273325600000000, -0.0481542400000000, 0.0022081500000000 ] - [ 0.0273325600000000, -0.0481542400000000, -0.0022081500000000 ] - [ 0.0281408000000000, 0.0486379900000000, -0.0007348300000000 ] - [ 0.0281408000000000, 0.0486379900000000, 0.0007348300000000 ] - [ -0.0570086300000000, 0.0030876300000000, 0.0003812800000000 ] - [ -0.0570086300000000, 0.0030876300000000, -0.0003812800000000 ] - [ 0.0043466800000000, -0.0006681500000000, 0.0032167700000000 ] - [ -0.0004968000000000, 0.0001901300000000, -0.0004598400000000 ] - [ -0.0079214000000000, 0.0031158100000000, 0.0122204700000000 ] - [ 0.0003016700000000, -0.0007954400000000, 0.0004089200000000 ] - [ -0.0000286900000000, -0.0016841900000000, 0.0003857900000000 ] - [ 0.0004480800000000, -0.0004268300000000, 0.0003869300000000 ] - [ -0.0000286900000000, -0.0016841900000000, -0.0003857900000000 ] - [ 0.0004480800000000, -0.0004268300000000, -0.0003869300000000 ] - [ -0.0079214000000000, 0.0031158100000000, -0.0122204700000000 ] - [ 0.0003016700000000, -0.0007954400000000, -0.0004089200000000 ] - [ 0.0043466800000000, -0.0006681500000000, -0.0032167700000000 ] - [ -0.0004968000000000, 0.0001901300000000, 0.0004598400000000 ] - [ -0.0025004000000000, 0.0023994300000000, -0.0007281500000000 ] - [ -0.0014426200000000, -0.0006820500000000, -0.0008589600000000 ] - [ -0.0001343000000000, 0.0006244000000000, 0.0013328000000000 ] - [ 0.0015855000000000, -0.0008558400000000, 0.0009707700000000 ] - [ 0.0043232000000000, -0.0065268900000000, 0.0006521500000000 ] - [ -0.0000071900000000, -0.0002683000000000, 0.0029594900000000 ] - [ 0.0043232000000000, -0.0065268900000000, -0.0006521500000000 ] - [ -0.0000071900000000, -0.0002683000000000, -0.0029594900000000 ] - [ -0.0010590600000000, -0.0022884300000000, -0.0014624100000000 ] - [ 0.0000551500000000, -0.0001838600000000, -0.0009104200000000 ] - [ -0.0010590600000000, -0.0022884300000000, 0.0014624100000000 ] - [ 0.0000551500000000, -0.0001838600000000, 0.0009104200000000 ] - [ -0.0005119200000000, -0.0088706900000000, 0.0000000000000000 ] - [ -0.0004048600000000, -0.0010701300000000, 0.0000000000000000 ] - [ 0.0053851500000000, 0.0028250300000000, 0.0000000000000000 ] - [ 0.0010265500000000, 0.0003014300000000, 0.0000000000000000 ] - [ -0.0031237700000000, -0.0060941900000000, 0.0000000000000000 ] - [ -0.0006265000000000, 0.0006728100000000, 0.0000000000000000 ] - [ 0.0492307700000000, 0.0149781200000000, -0.0166887300000000 ] - [ 0.0568045500000000, -0.0000714000000000, -0.0140376900000000 ] - [ -0.0304282800000000, -0.0495112900000000, -0.0133971100000000 ] - [ -0.0283016700000000, -0.0494789700000000, -0.0139399100000000 ] - [ -0.0209017600000000, 0.0470067800000000, 0.0143922000000000 ] - [ -0.0291318900000000, 0.0498392300000000, 0.0119532800000000 ] - [ -0.0304282800000000, -0.0495112900000000, 0.0133971100000000 ] - [ -0.0283016700000000, -0.0494789700000000, 0.0139399100000000 ] - [ -0.0209017600000000, 0.0470067800000000, -0.0143922000000000 ] - [ -0.0291318900000000, 0.0498392300000000, -0.0119532800000000 ] - [ 0.0492307700000000, 0.0149781200000000, 0.0166887300000000 ] - [ 0.0568045500000000, -0.0000714000000000, 0.0140376900000000 ]- atom: 1 displacement: [ 0.0050000000017421, -0.0086602540368386, 0.0000000000000000 ] forces: - [ -0.0843628100000000, 0.0440703500000000, 0.0000000000000000 ] - [ -0.0570473400000000, -0.0008460100000000, 0.0000000000000000 ] - [ 0.0282340700000000, 0.0495758300000000, 0.0000000000000000 ] - [ 0.0285689800000000, 0.0493683000000000, 0.0000000000000000 ] - [ 0.0299415300000000, -0.0498919900000000, 0.0000000000000000 ] - [ 0.0284804000000000, -0.0494360300000000, 0.0000000000000000 ] - [ -0.0023132900000000, 0.0000084000000000, -0.0006157700000000 ] - [ -0.0015481400000000, 0.0010070900000000, -0.0007168100000000 ] - [ 0.0023012700000000, -0.0002661800000000, -0.0014006400000000 ] - [ 0.0019392500000000, 0.0007774500000000, -0.0008538800000000 ] - [ -0.0058888200000000, -0.0022843400000000, 0.0030460700000000 ] - [ -0.0003740600000000, -0.0020662800000000, -0.0008026900000000 ] - [ -0.0007865400000000, -0.0048519900000000, 0.0005507000000000 ] - [ -0.0018448100000000, -0.0017846700000000, 0.0004401800000000 ] - [ -0.0058888200000000, -0.0022843400000000, -0.0030460700000000 ] - [ -0.0003740600000000, -0.0020662800000000, 0.0008026900000000 ] - [ -0.0023132900000000, 0.0000084000000000, 0.0006157700000000 ] - [ -0.0015481400000000, 0.0010070900000000, 0.0007168100000000 ] - [ 0.0023012700000000, -0.0002661800000000, 0.0014006400000000 ] - [ 0.0019392500000000, 0.0007774500000000, 0.0008538800000000 ] - [ 0.0038877600000000, -0.0022510300000000, 0.0000557200000000 ] - [ 0.0021911600000000, -0.0007632000000000, -0.0003267400000000 ] - [ 0.0115908100000000, -0.0083161200000000, -0.0136963800000000 ] - [ -0.0002467200000000, 0.0019847900000000, -0.0002127200000000 ] - [ 0.0115908100000000, -0.0083161200000000, 0.0136963800000000 ] - [ -0.0002467200000000, 0.0019847900000000, 0.0002127200000000 ] - [ -0.0001471900000000, -0.0004509900000000, -0.0007142800000000 ] - [ -0.0001471900000000, -0.0004509900000000, 0.0007142800000000 ] - [ 0.0008657400000000, -0.0013681100000000, 0.0026602400000000 ] - [ 0.0008657400000000, -0.0013681100000000, -0.0026602400000000 ] - [ 0.0287418800000000, -0.0489573900000000, -0.0022698500000000 ] - [ 0.0287418800000000, -0.0489573900000000, 0.0022698500000000 ] - [ 0.0279224900000000, 0.0484806300000000, 0.0007116600000000 ] - [ 0.0279224900000000, 0.0484806300000000, -0.0007116600000000 ] - [ -0.0550472700000000, -0.0030973300000000, -0.0001010600000000 ] - [ -0.0550472700000000, -0.0030973300000000, 0.0001010600000000 ] - [ -0.0048957100000000, 0.0014340700000000, -0.0040927900000000 ] - [ -0.0000158300000000, 0.0006313800000000, -0.0003891700000000 ] - [ 0.0075091500000000, -0.0039743500000000, -0.0115428300000000 ] - [ -0.0008158500000000, -0.0000227600000000, 0.0004422500000000 ] - [ 0.0009941300000000, 0.0017012400000000, 0.0004608400000000 ] - [ 0.0005189500000000, 0.0004320000000000, 0.0004689200000000 ] - [ 0.0009941300000000, 0.0017012400000000, -0.0004608400000000 ] - [ 0.0005189500000000, 0.0004320000000000, -0.0004689200000000 ] - [ 0.0075091500000000, -0.0039743500000000, 0.0115428300000000 ] - [ -0.0008158500000000, -0.0000227600000000, -0.0004422500000000 ] - [ -0.0048957100000000, 0.0014340700000000, 0.0040927900000000 ] - [ -0.0000158300000000, 0.0006313800000000, 0.0003891700000000 ] - [ -0.0007865400000000, -0.0048519900000000, -0.0005507000000000 ] - [ -0.0018448100000000, -0.0017846700000000, -0.0004401800000000 ] - [ 0.0038877600000000, -0.0022510300000000, -0.0000557200000000 ] - [ 0.0021911600000000, -0.0007632000000000, 0.0003267400000000 ] - [ -0.0043145300000000, 0.0065125800000000, 0.0020178200000000 ] - [ -0.0000087300000000, 0.0002915300000000, -0.0002372500000000 ] - [ -0.0043145300000000, 0.0065125800000000, -0.0020178200000000 ] - [ -0.0000087300000000, 0.0002915300000000, 0.0002372500000000 ] - [ 0.0010387000000000, 0.0022636100000000, -0.0012016800000000 ] - [ -0.0000598900000000, 0.0001707100000000, -0.0017906500000000 ] - [ 0.0010387000000000, 0.0022636100000000, 0.0012016800000000 ] - [ -0.0000598900000000, 0.0001707100000000, 0.0017906500000000 ] - [ -0.0004325400000000, 0.0071328100000000, 0.0000000000000000 ] - [ -0.0005600300000000, -0.0006153500000000, 0.0000000000000000 ] - [ -0.0034460900000000, -0.0028050700000000, 0.0000000000000000 ] - [ 0.0008986300000000, -0.0003013900000000, 0.0000000000000000 ] - [ 0.0021336800000000, 0.0078386500000000, 0.0000000000000000 ] - [ -0.0003416900000000, 0.0010126600000000, 0.0000000000000000 ] - [ 0.0656678800000000, -0.0150029600000000, -0.0095501800000000 ] - [ 0.0581044600000000, 0.0000770100000000, -0.0127339300000000 ] - [ -0.0269558500000000, -0.0499950100000000, -0.0134328300000000 ] - [ -0.0291292700000000, -0.0500365900000000, -0.0129464800000000 ] - [ -0.0366112200000000, 0.0525006100000000, 0.0124229500000000 ] - [ -0.0283033000000000, 0.0496648200000000, 0.0149588300000000 ] - [ -0.0269558500000000, -0.0499950100000000, 0.0134328300000000 ] - [ -0.0291292700000000, -0.0500365900000000, 0.0129464800000000 ] - [ -0.0366112200000000, 0.0525006100000000, -0.0124229500000000 ] - [ -0.0283033000000000, 0.0496648200000000, -0.0149588300000000 ] - [ 0.0656678800000000, -0.0150029600000000, 0.0095501800000000 ] - [ 0.0581044600000000, 0.0000770100000000, 0.0127339300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0565411300000000, 0.0000000000000000, -0.2883757300000000 ] - [ -0.0569965200000000, 0.0000000000000000, 0.0254105900000000 ] - [ 0.0284840300000000, 0.0493436900000000, -0.0212316700000000 ] - [ 0.0284941000000000, 0.0493502000000000, 0.0117078400000000 ] - [ 0.0284840300000000, -0.0493436900000000, -0.0212316700000000 ] - [ 0.0284941000000000, -0.0493502000000000, 0.0117078400000000 ] - [ -0.0009963400000000, -0.0008457200000000, -0.0035376100000000 ] - [ -0.0019984400000000, 0.0020836500000000, 0.0018926100000000 ] - [ -0.0000628100000000, -0.0006433300000000, -0.0037734300000000 ] - [ 0.0026011000000000, 0.0009004000000000, 0.0021444100000000 ] - [ -0.0203382900000000, -0.0222327600000000, 0.0044350800000000 ] - [ 0.0009274400000000, -0.0004288200000000, 0.0040076000000000 ] - [ -0.0022848900000000, -0.0033309700000000, -0.0022099200000000 ] - [ -0.0012891700000000, -0.0003782500000000, 0.0031718300000000 ] - [ 0.0197485100000000, 0.0180670000000000, 0.0058856200000000 ] - [ -0.0014434000000000, -0.0036818500000000, 0.0053049400000000 ] - [ -0.0022848900000000, 0.0033309700000000, -0.0022099200000000 ] - [ -0.0012891700000000, 0.0003782500000000, 0.0031718300000000 ] - [ 0.0038590800000000, 0.0022438700000000, -0.0024394500000000 ] - [ 0.0011750400000000, 0.0007119300000000, 0.0034268300000000 ] - [ -0.0000628100000000, 0.0006433300000000, -0.0037734300000000 ] - [ 0.0026011000000000, -0.0009004000000000, 0.0021444100000000 ] - [ -0.0203382900000000, 0.0222327600000000, 0.0044350800000000 ] - [ 0.0009274400000000, 0.0004288200000000, 0.0040076000000000 ] - [ 0.0197485100000000, -0.0180670000000000, 0.0058856200000000 ] - [ -0.0014434000000000, 0.0036818500000000, 0.0053049400000000 ] - [ 0.0016412400000000, 0.0020847800000000, 0.0048370800000000 ] - [ -0.0016414700000000, -0.0020880900000000, 0.0047639000000000 ] - [ 0.0016412400000000, -0.0020847800000000, 0.0048370800000000 ] - [ -0.0016414700000000, 0.0020880900000000, 0.0047639000000000 ] - [ 0.0267538100000000, -0.0488128600000000, 0.0060632100000000 ] - [ 0.0293215600000000, -0.0483052800000000, 0.0059947700000000 ] - [ 0.0267538100000000, 0.0488128600000000, 0.0060632100000000 ] - [ 0.0293215600000000, 0.0483052800000000, 0.0059947700000000 ] - [ -0.0472791800000000, 0.0000000000000000, 0.0673748500000000 ] - [ -0.0650634100000000, 0.0000000000000000, 0.0682467300000000 ] - [ 0.0306754900000000, 0.0237931300000000, 0.0091239200000000 ] - [ -0.0043914600000000, -0.0024695500000000, 0.0034714800000000 ] - [ -0.0308838800000000, 0.0226952800000000, 0.0100143200000000 ] - [ 0.0039716200000000, -0.0033510600000000, 0.0043266600000000 ] - [ -0.0023786100000000, 0.0000000000000000, -0.0021522600000000 ] - [ 0.0011038300000000, 0.0000000000000000, 0.0025187400000000 ] - [ 0.0033614100000000, 0.0000000000000000, -0.0030326300000000 ] - [ -0.0001301600000000, 0.0000000000000000, 0.0016748400000000 ] - [ 0.0306754900000000, -0.0237931300000000, 0.0091239200000000 ] - [ -0.0043914600000000, 0.0024695500000000, 0.0034714800000000 ] - [ -0.0308838800000000, -0.0226952800000000, 0.0100143200000000 ] - [ 0.0039716200000000, 0.0033510600000000, 0.0043266600000000 ] - [ -0.0009963400000000, 0.0008457200000000, -0.0035376100000000 ] - [ -0.0019984400000000, -0.0020836500000000, 0.0018926100000000 ] - [ 0.0038590800000000, -0.0022438700000000, -0.0024394500000000 ] - [ 0.0011750400000000, -0.0007119300000000, 0.0034268300000000 ] - [ 0.0075421500000000, -0.0090520100000000, 0.0003904800000000 ] - [ -0.0012802600000000, 0.0015486600000000, -0.0040592800000000 ] - [ -0.0075642200000000, 0.0090793400000000, -0.0023708300000000 ] - [ 0.0013012800000000, -0.0015681500000000, -0.0066892100000000 ] - [ -0.0075642200000000, -0.0090793400000000, -0.0023708300000000 ] - [ 0.0013012800000000, 0.0015681500000000, -0.0066892100000000 ] - [ 0.0075421500000000, 0.0090520100000000, 0.0003904800000000 ] - [ -0.0012802600000000, -0.0015486600000000, -0.0040592800000000 ] - [ -0.0004696600000000, -0.0009618900000000, 0.0153839500000000 ] - [ -0.0004847600000000, -0.0008304500000000, -0.0054132200000000 ] - [ 0.0008667900000000, 0.0000000000000000, 0.0133684900000000 ] - [ 0.0009757500000000, 0.0000000000000000, -0.0053356800000000 ] - [ -0.0004696600000000, 0.0009618900000000, 0.0153839500000000 ] - [ -0.0004847600000000, 0.0008304500000000, -0.0054132200000000 ] - [ 0.0524825600000000, 0.0000000000000000, 0.0295949700000000 ] - [ 0.0508106100000000, 0.0000000000000000, -0.0552567600000000 ] - [ -0.0076886800000000, -0.0453772000000000, 0.0000738000000000 ] - [ -0.0312670100000000, -0.0492267500000000, -0.0268933300000000 ] - [ -0.0498462800000000, 0.0541556900000000, 0.0270870500000000 ] - [ -0.0262367500000000, 0.0503080300000000, -0.0000761000000000 ] - [ -0.0498462800000000, -0.0541556900000000, 0.0270870500000000 ] - [ -0.0262367500000000, -0.0503080300000000, -0.0000761000000000 ] - [ -0.0076886800000000, 0.0453772000000000, 0.0000738000000000 ] - [ -0.0312670100000000, 0.0492267500000000, -0.0268933300000000 ] - [ 0.0620462100000000, 0.0000000000000000, 0.0645457900000000 ] - [ 0.0640845200000000, 0.0000000000000000, -0.0282085700000000 ]- atom: 7 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0567957200000000, 0.0008781100000000, 0.0006594500000000 ] - [ -0.0570889400000000, -0.0001724900000000, -0.0003607100000000 ] - [ 0.0258842000000000, 0.0443382700000000, -0.0074065900000000 ] - [ 0.0284540900000000, 0.0492797900000000, 0.0008098500000000 ] - [ 0.0307429400000000, -0.0498013500000000, 0.0022320300000000 ] - [ 0.0286046000000000, -0.0494121300000000, -0.0004426400000000 ] - [ -0.0970210900000000, 0.1051942600000000, 0.0307802400000000 ] - [ -0.0017112300000000, 0.0014156200000000, -0.0006861300000000 ] - [ 0.0312765400000000, -0.0263968800000000, -0.0016502500000000 ] - [ 0.0018611500000000, 0.0008125200000000, -0.0007051600000000 ] - [ -0.0054561700000000, 0.0052561500000000, -0.0008470900000000 ] - [ -0.0002643500000000, -0.0020410800000000, -0.0007088000000000 ] - [ 0.0001215500000000, -0.0017968500000000, 0.0008109200000000 ] - [ -0.0013712600000000, -0.0008901900000000, 0.0007314800000000 ] - [ -0.0007570700000000, -0.0016714100000000, 0.0003476200000000 ] - [ -0.0010625500000000, -0.0027766100000000, -0.0005280800000000 ] - [ -0.0032263300000000, 0.0018312500000000, 0.0008304600000000 ] - [ -0.0023102000000000, 0.0026095700000000, 0.0002617000000000 ] - [ 0.0020198500000000, 0.0000724500000000, 0.0017339600000000 ] - [ 0.0024984100000000, 0.0007221400000000, -0.0001526100000000 ] - [ 0.0152071600000000, -0.0088566000000000, -0.0001488600000000 ] - [ 0.0020233000000000, -0.0007802500000000, -0.0006859800000000 ] - [ 0.0036420000000000, 0.0015873200000000, -0.0010191100000000 ] - [ -0.0001922700000000, 0.0019860500000000, -0.0006957700000000 ] - [ 0.0005055600000000, 0.0026936400000000, 0.0014257600000000 ] - [ 0.0000065900000000, 0.0017400400000000, 0.0007669900000000 ] - [ -0.0001535200000000, 0.0000550100000000, 0.0000751300000000 ] - [ -0.0039275700000000, -0.0042123800000000, -0.0086305300000000 ] - [ 0.0001904700000000, -0.0000166200000000, -0.0000822800000000 ] - [ 0.0011101800000000, 0.0001959900000000, 0.0013679900000000 ] - [ 0.0281729200000000, -0.0486060900000000, 0.0001199100000000 ] - [ 0.0292605700000000, -0.0490888500000000, -0.0018464100000000 ] - [ 0.0280384600000000, 0.0485732800000000, -0.0010246000000000 ] - [ 0.0259678200000000, 0.0448311100000000, 0.0081121200000000 ] - [ -0.0561195200000000, 0.0000452900000000, -0.0000424500000000 ] - [ -0.0559899900000000, -0.0000212900000000, -0.0002986700000000 ] - [ -0.0005692100000000, 0.0112795100000000, -0.0010972000000000 ] - [ -0.0005222900000000, 0.0002880400000000, -0.0004745900000000 ] - [ 0.0006470500000000, 0.0004633800000000, -0.0001636800000000 ] - [ -0.0000253600000000, -0.0005558200000000, 0.0003093400000000 ] - [ 0.0006151700000000, -0.0014677100000000, 0.0000427700000000 ] - [ 0.0005496400000000, -0.0015076800000000, 0.0007072400000000 ] - [ 0.0052770800000000, -0.0158647000000000, -0.0009889500000000 ] - [ 0.0004999600000000, -0.0002949900000000, -0.0004706800000000 ] - [ 0.0032159900000000, -0.0003560700000000, 0.0000443100000000 ] - [ -0.0002157000000000, -0.0004488300000000, -0.0004746100000000 ] - [ -0.0015009400000000, 0.0007769700000000, 0.0006893400000000 ] - [ -0.0012427000000000, 0.0000676600000000, 0.0004874600000000 ] - [ 0.0023613200000000, 0.0006496000000000, -0.0008100600000000 ] - [ -0.0016186300000000, -0.0012031100000000, -0.0006942600000000 ] - [ 0.0024172200000000, -0.0014093200000000, -0.0002102700000000 ] - [ 0.0020997100000000, -0.0007857200000000, 0.0010213400000000 ] - [ -0.0087406500000000, -0.0023680700000000, -0.0007923100000000 ] - [ -0.0001335600000000, -0.0000097400000000, 0.0014252000000000 ] - [ -0.0014940600000000, 0.0003024000000000, -0.0012680200000000 ] - [ -0.0006253000000000, -0.0000751300000000, -0.0024014200000000 ] - [ 0.0012743100000000, 0.0000338600000000, -0.0018282500000000 ] - [ 0.0001931000000000, -0.0010550700000000, 0.0039133000000000 ] - [ 0.0551328600000000, -0.0551991400000000, -0.0228384000000000 ] - [ 0.0000650500000000, -0.0001239600000000, 0.0013562000000000 ] - [ 0.0013286300000000, -0.0025799400000000, 0.0014800300000000 ] - [ -0.0004126700000000, -0.0010730700000000, 0.0001060100000000 ] - [ 0.0009263000000000, 0.0032455200000000, -0.0002543500000000 ] - [ 0.0007822200000000, 0.0002943000000000, 0.0001421000000000 ] - [ -0.0018448200000000, -0.0024245500000000, -0.0045564500000000 ] - [ -0.0004517000000000, 0.0006671500000000, 0.0001899400000000 ] - [ 0.0581842900000000, -0.0013482800000000, -0.0138280700000000 ] - [ 0.0582731400000000, 0.0011682100000000, -0.0129963400000000 ] - [ -0.0273491700000000, -0.0496910600000000, -0.0088348400000000 ] - [ -0.0274962300000000, -0.0491148400000000, -0.0178483400000000 ] - [ -0.0446216800000000, 0.0582435000000000, 0.0150922300000000 ] - [ -0.0287386100000000, 0.0499014200000000, 0.0136697200000000 ] - [ -0.0102075700000000, -0.0547241400000000, 0.0163012300000000 ] - [ -0.0286474900000000, -0.0496390800000000, 0.0137003800000000 ] - [ -0.0305033800000000, 0.0511004100000000, -0.0150984700000000 ] - [ -0.0295869000000000, 0.0508500900000000, -0.0117948600000000 ] - [ 0.0529973800000000, -0.0037709600000000, 0.0122036500000000 ] - [ 0.0575675700000000, 0.0001821300000000, 0.0137397600000000 ]- atom: 7 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0571768900000000, -0.0008810600000000, -0.0006296900000000 ] - [ -0.0568812000000000, 0.0001716500000000, 0.0003482700000000 ] - [ 0.0310532700000000, 0.0543874200000000, 0.0074498300000000 ] - [ 0.0285275500000000, 0.0494188200000000, -0.0008217600000000 ] - [ 0.0262418900000000, -0.0488892600000000, -0.0022293800000000 ] - [ 0.0283819600000000, -0.0492874800000000, 0.0004339100000000 ] - [ 0.0934531200000000, -0.1036669100000000, -0.0321553600000000 ] - [ -0.0015777900000000, 0.0010486300000000, -0.0006084400000000 ] - [ -0.0278390300000000, 0.0284387200000000, 0.0003404600000000 ] - [ 0.0019070000000000, 0.0008043500000000, -0.0005930400000000 ] - [ 0.0049176000000000, -0.0094584700000000, -0.0004550800000000 ] - [ -0.0002249300000000, -0.0020370100000000, -0.0005870000000000 ] - [ -0.0034083500000000, -0.0006597900000000, 0.0004680800000000 ] - [ -0.0019143500000000, -0.0015714300000000, 0.0005623300000000 ] - [ 0.0002653100000000, -0.0024042100000000, 0.0009446500000000 ] - [ 0.0005647100000000, -0.0013086700000000, 0.0018086100000000 ] - [ -0.0000618100000000, 0.0006300500000000, 0.0004709700000000 ] - [ -0.0009810400000000, -0.0001397500000000, 0.0010180300000000 ] - [ 0.0017527500000000, 0.0015493000000000, -0.0004437700000000 ] - [ 0.0012852900000000, 0.0008938700000000, 0.0014354000000000 ] - [ -0.0112751700000000, 0.0070924700000000, -0.0011384000000000 ] - [ 0.0017530600000000, -0.0008365700000000, -0.0006095400000000 ] - [ -0.0040987400000000, 0.0024579800000000, -0.0002694700000000 ] - [ -0.0002909000000000, 0.0020847300000000, -0.0006023500000000 ] - [ -0.0009939800000000, 0.0013648400000000, -0.0001397700000000 ] - [ -0.0004884600000000, 0.0023283900000000, 0.0005286900000000 ] - [ 0.0001579600000000, -0.0000589700000000, -0.0000816300000000 ] - [ 0.0039955400000000, 0.0041728700000000, 0.0085434300000000 ] - [ -0.0001963800000000, 0.0000169200000000, 0.0000721300000000 ] - [ -0.0011131400000000, -0.0001969200000000, -0.0013523700000000 ] - [ 0.0278985100000000, -0.0485036500000000, -0.0001366700000000 ] - [ 0.0268111400000000, -0.0480180100000000, 0.0018681100000000 ] - [ 0.0280310400000000, 0.0485457300000000, 0.0010193300000000 ] - [ 0.0300655200000000, 0.0523037400000000, -0.0081256700000000 ] - [ -0.0560162500000000, -0.0000425400000000, 0.0000306900000000 ] - [ -0.0561503300000000, 0.0000206500000000, 0.0002917300000000 ] - [ 0.0001629900000000, -0.0104213500000000, 0.0002511400000000 ] - [ 0.0000377300000000, 0.0005512200000000, -0.0003801400000000 ] - [ -0.0011289500000000, -0.0012845200000000, 0.0010041000000000 ] - [ -0.0004620100000000, -0.0002796700000000, 0.0005428100000000 ] - [ 0.0003544200000000, 0.0014784000000000, 0.0008125900000000 ] - [ 0.0004193500000000, 0.0015142700000000, 0.0001414800000000 ] - [ -0.0042785900000000, 0.0159896000000000, 0.0001301300000000 ] - [ 0.0004693800000000, 0.0002965100000000, -0.0003841900000000 ] - [ -0.0037301500000000, -0.0004458400000000, -0.0008883600000000 ] - [ -0.0002678400000000, -0.0003877900000000, -0.0003807300000000 ] - [ 0.0010234300000000, 0.0000581400000000, 0.0001615000000000 ] - [ 0.0007587900000000, 0.0007704200000000, 0.0003619100000000 ] - [ -0.0056476000000000, -0.0031034600000000, -0.0004713300000000 ] - [ -0.0016683500000000, -0.0012597100000000, -0.0006011800000000 ] - [ 0.0013512900000000, -0.0002163500000000, 0.0014985000000000 ] - [ 0.0016737900000000, -0.0008320200000000, 0.0002695900000000 ] - [ 0.0087021300000000, 0.0023832200000000, 0.0034599700000000 ] - [ 0.0001292300000000, 0.0000168900000000, 0.0012740500000000 ] - [ 0.0014962800000000, -0.0002886500000000, -0.0014064700000000 ] - [ 0.0006213500000000, 0.0000848500000000, -0.0003004600000000 ] - [ -0.0012715900000000, -0.0000315000000000, -0.0008561100000000 ] - [ -0.0001787300000000, 0.0010457600000000, -0.0065375300000000 ] - [ -0.0546335600000000, 0.0561248000000000, 0.0259301200000000 ] - [ -0.0000568100000000, 0.0001214000000000, 0.0013406400000000 ] - [ -0.0020912100000000, 0.0009811700000000, -0.0016448300000000 ] - [ -0.0005524700000000, -0.0006041700000000, -0.0001010100000000 ] - [ 0.0010028500000000, -0.0032413700000000, 0.0002486800000000 ] - [ 0.0011515800000000, -0.0002923100000000, -0.0001361400000000 ] - [ 0.0007133700000000, 0.0040745000000000, 0.0044468300000000 ] - [ -0.0005169900000000, 0.0010065200000000, -0.0001848900000000 ] - [ 0.0567312400000000, 0.0013472500000000, -0.0130462200000000 ] - [ 0.0566491500000000, -0.0011631000000000, -0.0138605600000000 ] - [ -0.0301012300000000, -0.0498284900000000, -0.0180617400000000 ] - [ -0.0299561600000000, -0.0504148400000000, -0.0089899800000000 ] - [ -0.0127724300000000, 0.0411770700000000, 0.0117334400000000 ] - [ -0.0287185500000000, 0.0496141200000000, 0.0132186800000000 ] - [ -0.0474141600000000, -0.0450960600000000, 0.0106128900000000 ] - [ -0.0288069600000000, -0.0498780600000000, 0.0131824400000000 ] - [ -0.0269655700000000, 0.0483984800000000, -0.0117527300000000 ] - [ -0.0278819000000000, 0.0486627000000000, -0.0150831800000000 ] - [ 0.0619337700000000, 0.0037837100000000, 0.0146433000000000 ] - [ 0.0573452500000000, -0.0001821500000000, 0.0131476700000000 ]- atom: 7 displacement: [ -0.0050000000017421, 0.0086602540368386, 0.0000000000000000 ] forces: - [ -0.0550034300000000, 0.0019810500000000, -0.0021447200000000 ] - [ -0.0566538900000000, 0.0004738500000000, 0.0009174200000000 ] - [ 0.0254240200000000, 0.0647612600000000, 0.0272033100000000 ] - [ 0.0283953200000000, 0.0493274600000000, -0.0019857600000000 ] - [ 0.0264741100000000, -0.0477325200000000, -0.0019905800000000 ] - [ 0.0281911000000000, -0.0491175400000000, 0.0007187600000000 ] - [ 0.1381133100000000, -0.3594545800000000, -0.0827994500000000 ] - [ -0.0014534200000000, 0.0006711600000000, -0.0005427100000000 ] - [ -0.0435855900000000, 0.0314377400000000, 0.0014086500000000 ] - [ 0.0018643600000000, 0.0008065700000000, -0.0005189800000000 ] - [ 0.0155187100000000, 0.0412843400000000, 0.0010728600000000 ] - [ -0.0002018500000000, -0.0020408000000000, -0.0005241400000000 ] - [ -0.0020346900000000, -0.0010640400000000, 0.0002206400000000 ] - [ -0.0020726600000000, -0.0016313100000000, 0.0005012600000000 ] - [ 0.0002965200000000, -0.0015821400000000, -0.0003824200000000 ] - [ 0.0017576800000000, -0.0001853600000000, 0.0034573300000000 ] - [ -0.0003388400000000, -0.0023931000000000, -0.0003345900000000 ] - [ -0.0001278900000000, -0.0028604500000000, 0.0017931100000000 ] - [ 0.0012174400000000, 0.0012587600000000, -0.0006848300000000 ] - [ -0.0007207800000000, 0.0011144700000000, 0.0034267100000000 ] - [ -0.0173081200000000, 0.0033001800000000, -0.0007979500000000 ] - [ 0.0014655100000000, -0.0008971800000000, -0.0005341100000000 ] - [ -0.0032995600000000, 0.0064767600000000, -0.0002667000000000 ] - [ -0.0003921800000000, 0.0022004700000000, -0.0005448300000000 ] - [ -0.0008462500000000, 0.0021641200000000, 0.0000802400000000 ] - [ -0.0006833700000000, 0.0027265200000000, 0.0006201800000000 ] - [ 0.0001171800000000, -0.0002479900000000, -0.0003793100000000 ] - [ -0.0021654600000000, 0.0074531300000000, 0.0253660300000000 ] - [ -0.0003477400000000, 0.0000017600000000, 0.0001356300000000 ] - [ -0.0014457900000000, -0.0002611800000000, -0.0015468200000000 ] - [ 0.0279304800000000, -0.0483608700000000, 0.0000215500000000 ] - [ 0.0262823400000000, -0.0472813300000000, 0.0013322800000000 ] - [ 0.0276612300000000, 0.0483052300000000, 0.0033794000000000 ] - [ 0.0267231500000000, 0.0537894500000000, -0.0223210600000000 ] - [ -0.0559263100000000, 0.0002740200000000, -0.0003747600000000 ] - [ -0.0542361100000000, 0.0019368600000000, 0.0016858800000000 ] - [ 0.0223795700000000, 0.0170951400000000, -0.0013713400000000 ] - [ 0.0006042900000000, 0.0008321100000000, -0.0003079100000000 ] - [ -0.0001877500000000, -0.0002001600000000, 0.0000926700000000 ] - [ -0.0000562500000000, -0.0001248100000000, 0.0007240100000000 ] - [ 0.0000532800000000, 0.0044272800000000, 0.0019377300000000 ] - [ 0.0003266800000000, 0.0035570900000000, -0.0004952500000000 ] - [ -0.0090547200000000, 0.0462047200000000, 0.0009483900000000 ] - [ 0.0004413800000000, 0.0007592100000000, -0.0002947700000000 ] - [ -0.0001472600000000, 0.0028838700000000, -0.0001726400000000 ] - [ -0.0001691600000000, -0.0003809700000000, -0.0003305700000000 ] - [ 0.0030721300000000, 0.0015337600000000, 0.0007894600000000 ] - [ 0.0025837200000000, 0.0017759500000000, -0.0000038300000000 ] - [ -0.0052658700000000, -0.0018407800000000, -0.0001146000000000 ] - [ -0.0016804900000000, -0.0012336700000000, -0.0005278100000000 ] - [ -0.0000389900000000, -0.0012999600000000, 0.0014424600000000 ] - [ 0.0009012200000000, -0.0011326400000000, -0.0002257000000000 ] - [ 0.0105742200000000, 0.0026971900000000, 0.0040429300000000 ] - [ 0.0003745900000000, -0.0000118900000000, 0.0012030200000000 ] - [ 0.0017249700000000, 0.0001115500000000, -0.0012878900000000 ] - [ 0.0013147200000000, 0.0001523200000000, -0.0002731800000000 ] - [ -0.0004592500000000, 0.0008164200000000, 0.0004286800000000 ] - [ -0.0009085800000000, 0.0026765700000000, -0.0169083300000000 ] - [ -0.0749475000000000, 0.1789862400000000, 0.0684695500000000 ] - [ -0.0001065900000000, 0.0003721900000000, 0.0014591000000000 ] - [ -0.0058186600000000, 0.0045615400000000, 0.0021640600000000 ] - [ -0.0007201900000000, -0.0002435200000000, -0.0004245800000000 ] - [ 0.0053267100000000, -0.0065131600000000, 0.0019895300000000 ] - [ 0.0015399300000000, -0.0007599600000000, -0.0004126000000000 ] - [ 0.0002801900000000, 0.0082651400000000, 0.0030940300000000 ] - [ -0.0005719400000000, 0.0013083800000000, -0.0004259000000000 ] - [ 0.0552792200000000, -0.0020637600000000, -0.0112090900000000 ] - [ 0.0543807600000000, -0.0035478800000000, -0.0152066500000000 ] - [ -0.0292502000000000, -0.0479179200000000, -0.0295291300000000 ] - [ -0.0311302800000000, -0.0506173600000000, -0.0008568900000000 ] - [ -0.0104621400000000, 0.0287527700000000, 0.0104398700000000 ] - [ -0.0288035100000000, 0.0493475600000000, 0.0128501200000000 ] - [ -0.0475205300000000, -0.0139516700000000, 0.0035279600000000 ] - [ -0.0289211900000000, -0.0500136800000000, 0.0124689200000000 ] - [ -0.0283700600000000, 0.0463417000000000, -0.0114376900000000 ] - [ -0.0268647700000000, 0.0470035300000000, -0.0148670600000000 ] - [ 0.0346628800000000, -0.0246697400000000, 0.0109594100000000 ] - [ 0.0570469200000000, -0.0005734400000000, 0.0129839900000000 ]- atom: 7 displacement: [ 0.0050000000017421, -0.0086602540368386, 0.0000000000000000 ] forces: - [ -0.0589726000000000, -0.0019894600000000, 0.0021179300000000 ] - [ -0.0573196600000000, -0.0004769200000000, -0.0009133600000000 ] - [ 0.0315765900000000, 0.0337135100000000, -0.0277436800000000 ] - [ 0.0285909500000000, 0.0493697600000000, 0.0020167700000000 ] - [ 0.0304959700000000, -0.0509942100000000, 0.0019316100000000 ] - [ 0.0287966500000000, -0.0495851600000000, -0.0007077400000000 ] - [ -0.1380927500000000, 0.3546837100000000, 0.0746632800000000 ] - [ -0.0018381700000000, 0.0018003000000000, -0.0007459300000000 ] - [ 0.0469276500000000, -0.0295450800000000, -0.0026604600000000 ] - [ 0.0019055400000000, 0.0008100200000000, -0.0007732200000000 ] - [ -0.0158771600000000, -0.0451013400000000, -0.0023168700000000 ] - [ -0.0002891300000000, -0.0020384800000000, -0.0007654300000000 ] - [ -0.0012551400000000, -0.0014144400000000, 0.0010920000000000 ] - [ -0.0012118800000000, -0.0008325500000000, 0.0007954700000000 ] - [ -0.0007846100000000, -0.0025151400000000, 0.0016843400000000 ] - [ -0.0022669600000000, -0.0039101200000000, -0.0021871000000000 ] - [ -0.0029616500000000, 0.0049168800000000, 0.0016910200000000 ] - [ -0.0031737700000000, 0.0053596300000000, -0.0005104500000000 ] - [ 0.0025654100000000, 0.0003383100000000, 0.0019875700000000 ] - [ 0.0045169500000000, 0.0004987700000000, -0.0021529300000000 ] - [ 0.0214217900000000, -0.0049180200000000, -0.0004971200000000 ] - [ 0.0023173400000000, -0.0007179000000000, -0.0007557300000000 ] - [ 0.0028449200000000, -0.0024108400000000, -0.0010404500000000 ] - [ -0.0000912100000000, 0.0018707000000000, -0.0007470300000000 ] - [ 0.0003739700000000, 0.0019224700000000, 0.0012229600000000 ] - [ 0.0002026100000000, 0.0013403800000000, 0.0006769800000000 ] - [ -0.0001127000000000, 0.0002431000000000, 0.0003954400000000 ] - [ 0.0022324600000000, -0.0075569100000000, -0.0254996200000000 ] - [ 0.0003453600000000, 0.0000002800000000, -0.0001257800000000 ] - [ 0.0014492800000000, 0.0002676000000000, 0.0015622600000000 ] - [ 0.0281405600000000, -0.0487559400000000, -0.0000207300000000 ] - [ 0.0297922800000000, -0.0498440200000000, -0.0012893700000000 ] - [ 0.0284158600000000, 0.0488208500000000, -0.0034028900000000 ] - [ 0.0293484300000000, 0.0433455400000000, 0.0226517800000000 ] - [ -0.0562131600000000, -0.0002725000000000, 0.0003870400000000 ] - [ -0.0579099700000000, -0.0019438000000000, -0.0016739000000000 ] - [ -0.0231139400000000, -0.0162230500000000, 0.0005179800000000 ] - [ -0.0010969600000000, 0.0000028000000000, -0.0005427800000000 ] - [ -0.0003132900000000, -0.0006571800000000, 0.0007713400000000 ] - [ -0.0004361400000000, -0.0007136200000000, 0.0001300800000000 ] - [ 0.0009140900000000, -0.0044731100000000, -0.0011086000000000 ] - [ 0.0006421100000000, -0.0035861700000000, 0.0013594000000000 ] - [ 0.0102316000000000, -0.0468486900000000, -0.0018497600000000 ] - [ 0.0005271200000000, -0.0007649800000000, -0.0005559900000000 ] - [ -0.0004142800000000, -0.0037457300000000, -0.0006913600000000 ] - [ -0.0003160300000000, -0.0004547900000000, -0.0005201600000000 ] - [ -0.0035873700000000, -0.0006942800000000, 0.0000618900000000 ] - [ -0.0030910700000000, -0.0009461200000000, 0.0008597200000000 ] - [ 0.0019878300000000, -0.0006532500000000, -0.0012005300000000 ] - [ -0.0016073800000000, -0.0012319200000000, -0.0007618600000000 ] - [ 0.0038356400000000, -0.0002939800000000, -0.0001519600000000 ] - [ 0.0028850700000000, -0.0004793500000000, 0.0015246100000000 ] - [ -0.0106626100000000, -0.0027322100000000, -0.0013907000000000 ] - [ -0.0003827700000000, 0.0000195400000000, 0.0014764500000000 ] - [ -0.0017472800000000, -0.0001169200000000, -0.0014153500000000 ] - [ -0.0013292500000000, -0.0001459400000000, -0.0024231000000000 ] - [ 0.0004525700000000, -0.0007910000000000, -0.0031520000000000 ] - [ 0.0009245900000000, -0.0026994400000000, 0.0143790100000000 ] - [ 0.0704081000000000, -0.1664938600000000, -0.0597238200000000 ] - [ 0.0001153900000000, -0.0003780200000000, 0.0012168800000000 ] - [ 0.0049731100000000, -0.0062011900000000, -0.0022345100000000 ] - [ -0.0002427600000000, -0.0014344500000000, 0.0004250900000000 ] - [ -0.0034388800000000, 0.0065372400000000, -0.0019589900000000 ] - [ 0.0003835800000000, 0.0007667900000000, 0.0004121500000000 ] - [ -0.0013531900000000, -0.0066388300000000, -0.0031555900000000 ] - [ -0.0003934400000000, 0.0003603700000000, 0.0004261900000000 ] - [ 0.0596533100000000, 0.0020828800000000, -0.0156650900000000 ] - [ 0.0605604000000000, 0.0035743400000000, -0.0116718200000000 ] - [ -0.0281927300000000, -0.0516835000000000, 0.0028264800000000 ] - [ -0.0263048600000000, -0.0488977600000000, -0.0261324400000000 ] - [ -0.0469283900000000, 0.0709433200000000, 0.0164612400000000 ] - [ -0.0286537000000000, 0.0501767800000000, 0.0140096900000000 ] - [ -0.0087805700000000, -0.0905529100000000, 0.0243495200000000 ] - [ -0.0285357500000000, -0.0495040200000000, 0.0143907600000000 ] - [ -0.0290673400000000, 0.0532433500000000, -0.0154126900000000 ] - [ -0.0306059000000000, 0.0525380000000000, -0.0120369400000000 ] - [ 0.0803369200000000, 0.0247340700000000, 0.0159378100000000 ] - [ 0.0578743700000000, 0.0005778300000000, 0.0138731300000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0568754300000000, 0.0000376800000000, -0.0028565100000000 ] - [ -0.0568444600000000, 0.0001615800000000, 0.0025281900000000 ] - [ 0.0248117700000000, 0.0623691800000000, 0.0051557500000000 ] - [ 0.0286526600000000, 0.0489393600000000, 0.0046581300000000 ] - [ 0.0278036200000000, -0.0498248500000000, -0.0030872300000000 ] - [ 0.0281690400000000, -0.0494002300000000, 0.0027826000000000 ] - [ 0.0300829800000000, -0.0722308600000000, -0.0928527400000000 ] - [ -0.0016838700000000, 0.0013273100000000, 0.0004450800000000 ] - [ 0.0036256200000000, 0.0000182400000000, -0.0080342700000000 ] - [ 0.0020033200000000, 0.0008091700000000, 0.0002928000000000 ] - [ -0.0012929700000000, -0.0038461900000000, -0.0080333200000000 ] - [ -0.0003151600000000, -0.0021445000000000, 0.0002940000000000 ] - [ -0.0018145700000000, -0.0016337100000000, 0.0016977600000000 ] - [ -0.0017286200000000, -0.0013535500000000, 0.0007646300000000 ] - [ -0.0004908000000000, -0.0034321200000000, 0.0012703700000000 ] - [ 0.0017587300000000, 0.0000364000000000, 0.0030788500000000 ] - [ -0.0018214000000000, 0.0022851700000000, 0.0055097500000000 ] - [ -0.0012657700000000, 0.0001179500000000, 0.0033682900000000 ] - [ 0.0029119000000000, -0.0001279200000000, 0.0012715800000000 ] - [ -0.0009488900000000, 0.0010888700000000, 0.0030808400000000 ] - [ 0.0017115800000000, -0.0003152400000000, -0.0039575800000000 ] - [ 0.0020006000000000, -0.0007884200000000, 0.0002982800000000 ] - [ -0.0002561300000000, 0.0024700500000000, -0.0018667900000000 ] - [ -0.0002960600000000, 0.0021209900000000, 0.0001423200000000 ] - [ -0.0000322100000000, 0.0028139500000000, 0.0012478500000000 ] - [ -0.0001507500000000, 0.0021216700000000, 0.0007226400000000 ] - [ 0.0001395300000000, -0.0003823400000000, 0.0024974600000000 ] - [ -0.0058351900000000, 0.0150406700000000, 0.0216273600000000 ] - [ -0.0000810600000000, 0.0000307300000000, 0.0018880000000000 ] - [ 0.0001996500000000, -0.0000277800000000, -0.0016518200000000 ] - [ 0.0281458000000000, -0.0486525800000000, 0.0031458800000000 ] - [ 0.0274095000000000, -0.0484652000000000, -0.0026330000000000 ] - [ 0.0278875500000000, 0.0491307800000000, 0.0052346100000000 ] - [ 0.0315562200000000, 0.0371561200000000, 0.0102376000000000 ] - [ -0.0562008200000000, 0.0000127700000000, 0.0029357700000000 ] - [ -0.0557340400000000, 0.0002571100000000, -0.0027423300000000 ] - [ -0.0025369500000000, -0.0021447900000000, -0.0040407600000000 ] - [ -0.0001169200000000, 0.0003984700000000, 0.0003834000000000 ] - [ -0.0004525600000000, -0.0011203100000000, 0.0010128300000000 ] - [ -0.0003410200000000, -0.0003630900000000, 0.0006051500000000 ] - [ 0.0001698300000000, 0.0024072100000000, 0.0013702500000000 ] - [ 0.0004068300000000, -0.0022701200000000, 0.0013770100000000 ] - [ 0.0008188400000000, -0.0041596800000000, 0.0001237200000000 ] - [ 0.0004037400000000, 0.0000763900000000, 0.0004269500000000 ] - [ -0.0002733400000000, -0.0011515800000000, -0.0017305200000000 ] - [ -0.0002197400000000, -0.0003221700000000, 0.0002693600000000 ] - [ 0.0008132700000000, 0.0015780600000000, 0.0010520800000000 ] - [ -0.0014740500000000, -0.0003704100000000, 0.0009811800000000 ] - [ -0.0018121100000000, -0.0017550000000000, -0.0023098900000000 ] - [ -0.0016903600000000, -0.0013401700000000, 0.0001880200000000 ] - [ 0.0010939000000000, -0.0002855300000000, 0.0013697400000000 ] - [ 0.0027678100000000, -0.0007366900000000, 0.0012118000000000 ] - [ -0.0003524100000000, -0.0000953700000000, 0.0038836800000000 ] - [ 0.0000078200000000, 0.0000071000000000, -0.0005778800000000 ] - [ 0.0003230800000000, -0.0003652200000000, -0.0032552800000000 ] - [ -0.0007141000000000, -0.0000518700000000, -0.0005975700000000 ] - [ -0.0010135300000000, 0.0027148500000000, -0.0046896000000000 ] - [ -0.0002993900000000, 0.0006433500000000, -0.0142995500000000 ] - [ -0.0265195300000000, 0.0671667800000000, 0.0620690300000000 ] - [ 0.0000108400000000, 0.0000003900000000, -0.0010555300000000 ] - [ 0.0013351500000000, 0.0001113600000000, 0.0026582000000000 ] - [ -0.0009768000000000, -0.0009213600000000, -0.0015024500000000 ] - [ 0.0012767600000000, -0.0001172400000000, 0.0018291100000000 ] - [ 0.0009330800000000, -0.0002924900000000, -0.0015207500000000 ] - [ -0.0036901700000000, -0.0002421300000000, 0.0016248300000000 ] - [ -0.0000683900000000, 0.0011220000000000, -0.0015014700000000 ] - [ 0.0570913300000000, -0.0001751200000000, -0.0142833600000000 ] - [ 0.0568206000000000, -0.0009902500000000, -0.0136277000000000 ] - [ -0.0274757200000000, -0.0537372200000000, -0.0224188200000000 ] - [ -0.0285807200000000, -0.0458882700000000, -0.0228021300000000 ] - [ -0.0269545900000000, 0.0519233800000000, 0.0191100200000000 ] - [ -0.0289221800000000, 0.0500952300000000, 0.0089674900000000 ] - [ -0.0261489300000000, -0.0552691400000000, 0.0342421600000000 ] - [ -0.0291049000000000, -0.0503652900000000, 0.0072218900000000 ] - [ -0.0291914800000000, 0.0494888300000000, -0.0143501300000000 ] - [ -0.0261366800000000, 0.0507345200000000, -0.0138492000000000 ] - [ 0.0577746500000000, 0.0004008700000000, 0.0187206800000000 ] - [ 0.0578171400000000, -0.0000585200000000, 0.0092532100000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0570968300000000, -0.0000392700000000, 0.0028929400000000 ] - [ -0.0571241100000000, -0.0001604800000000, -0.0025354000000000 ] - [ 0.0322024900000000, 0.0362065100000000, -0.0051652800000000 ] - [ 0.0283334200000000, 0.0497546600000000, -0.0046538900000000 ] - [ 0.0291925200000000, -0.0488683600000000, 0.0031270900000000 ] - [ 0.0288135400000000, -0.0493003800000000, -0.0027883900000000 ] - [ -0.0328549800000000, 0.0731320200000000, 0.0919901300000000 ] - [ -0.0016059400000000, 0.0011377300000000, -0.0017368500000000 ] - [ 0.0002367700000000, 0.0015227600000000, 0.0067219700000000 ] - [ 0.0017621100000000, 0.0008079000000000, -0.0015881300000000 ] - [ 0.0007843300000000, -0.0003471500000000, 0.0067229100000000 ] - [ -0.0001732500000000, -0.0019328000000000, -0.0015868800000000 ] - [ -0.0014713800000000, -0.0008256900000000, -0.0004109900000000 ] - [ -0.0015590400000000, -0.0011114000000000, 0.0005208900000000 ] - [ 0.0000033900000000, -0.0006318600000000, 0.0000226700000000 ] - [ -0.0022334200000000, -0.0041018200000000, -0.0017768100000000 ] - [ -0.0014615900000000, 0.0001540300000000, -0.0042939400000000 ] - [ -0.0020214600000000, 0.0023413800000000, -0.0020701700000000 ] - [ 0.0008453300000000, 0.0017546400000000, 0.0000239500000000 ] - [ 0.0046958500000000, 0.0005279900000000, -0.0017747500000000 ] - [ 0.0020115500000000, -0.0012840200000000, 0.0026727600000000 ] - [ 0.0017790300000000, -0.0008280000000000, -0.0015902800000000 ] - [ -0.0002323700000000, 0.0015907300000000, 0.0005765500000000 ] - [ -0.0001875300000000, 0.0019502400000000, -0.0014367800000000 ] - [ -0.0004552400000000, 0.0012506200000000, 0.0000455200000000 ] - [ -0.0003327100000000, 0.0019512500000000, 0.0005661300000000 ] - [ -0.0001379900000000, 0.0003840100000000, -0.0025069900000000 ] - [ 0.0057231100000000, -0.0147522900000000, -0.0212956000000000 ] - [ 0.0000762800000000, -0.0000301300000000, -0.0018879000000000 ] - [ -0.0002055000000000, 0.0000280000000000, 0.0016327800000000 ] - [ 0.0279239200000000, -0.0484577500000000, -0.0031418800000000 ] - [ 0.0286630900000000, -0.0486448400000000, 0.0025926300000000 ] - [ 0.0281864600000000, 0.0479818100000000, -0.0052383100000000 ] - [ 0.0245850600000000, 0.0598168000000000, -0.0101056500000000 ] - [ -0.0559346600000000, -0.0000096500000000, -0.0029317700000000 ] - [ -0.0564033900000000, -0.0002538000000000, 0.0027058100000000 ] - [ 0.0021047300000000, 0.0030475200000000, 0.0031765300000000 ] - [ -0.0003699100000000, 0.0004383000000000, -0.0012360800000000 ] - [ -0.0000305600000000, 0.0002864100000000, -0.0001607700000000 ] - [ -0.0001431100000000, -0.0004743800000000, 0.0002425900000000 ] - [ 0.0008016000000000, -0.0024223800000000, -0.0005143300000000 ] - [ 0.0005591700000000, 0.0022500500000000, -0.0005255800000000 ] - [ 0.0001309900000000, 0.0042968800000000, -0.0009969400000000 ] - [ 0.0005643600000000, -0.0000807300000000, -0.0012799100000000 ] - [ -0.0001994100000000, 0.0003251700000000, 0.0008829000000000 ] - [ -0.0002635900000000, -0.0005140500000000, -0.0011223300000000 ] - [ -0.0013031600000000, -0.0007500900000000, -0.0001986700000000 ] - [ 0.0009814200000000, 0.0012020400000000, -0.0001328600000000 ] - [ -0.0014732400000000, -0.0006968600000000, 0.0010262400000000 ] - [ -0.0015970800000000, -0.0011235700000000, -0.0014798700000000 ] - [ 0.0026886900000000, -0.0013376900000000, -0.0000761900000000 ] - [ 0.0010175300000000, -0.0008786000000000, 0.0000761500000000 ] - [ 0.0003681300000000, 0.0001161000000000, -0.0011692300000000 ] - [ -0.0000142600000000, -0.0000007500000000, 0.0032676900000000 ] - [ -0.0003287900000000, 0.0003749700000000, 0.0005657200000000 ] - [ 0.0007030000000000, 0.0000577700000000, -0.0020764600000000 ] - [ 0.0010338200000000, -0.0027483900000000, 0.0020138500000000 ] - [ 0.0003042300000000, -0.0006348000000000, 0.0115527200000000 ] - [ 0.0260225400000000, -0.0658542200000000, -0.0597392200000000 ] - [ -0.0000019300000000, -0.0000045200000000, 0.0037502700000000 ] - [ -0.0021979100000000, -0.0017445700000000, -0.0027538200000000 ] - [ 0.0000056500000000, -0.0007559900000000, 0.0015020700000000 ] - [ 0.0006574800000000, 0.0001191400000000, -0.0018632500000000 ] - [ 0.0009987600000000, 0.0002907000000000, 0.0015202800000000 ] - [ 0.0026527700000000, 0.0018939000000000, -0.0017048000000000 ] - [ -0.0008949900000000, 0.0005535300000000, 0.0015012400000000 ] - [ 0.0578197200000000, 0.0001745300000000, -0.0126129800000000 ] - [ 0.0580911900000000, 0.0009825600000000, -0.0132117600000000 ] - [ -0.0299930400000000, -0.0457285300000000, -0.0044665000000000 ] - [ -0.0288778100000000, -0.0536082600000000, -0.0040881800000000 ] - [ -0.0305727000000000, 0.0475438500000000, 0.0077577000000000 ] - [ -0.0285324200000000, 0.0494240400000000, 0.0179016800000000 ] - [ -0.0313660700000000, -0.0440678100000000, -0.0075066200000000 ] - [ -0.0283522000000000, -0.0491486000000000, 0.0196485800000000 ] - [ -0.0282613500000000, 0.0500218000000000, -0.0125457800000000 ] - [ -0.0313064300000000, 0.0487944500000000, -0.0129881800000000 ] - [ 0.0571508500000000, -0.0003903900000000, 0.0081492200000000 ] - [ 0.0570964500000000, 0.0000580700000000, 0.0176167700000000 ]- atom: 27 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0562684700000000, 0.0005899700000000, 0.0016427900000000 ] - [ -0.0562684700000000, 0.0005899700000000, -0.0016427900000000 ] - [ 0.0288068800000000, 0.0486645000000000, 0.0009862600000000 ] - [ 0.0288068800000000, 0.0486645000000000, -0.0009862600000000 ] - [ 0.0301169400000000, -0.0497463500000000, -0.0026218800000000 ] - [ 0.0301169400000000, -0.0497463500000000, 0.0026218800000000 ] - [ -0.0018000500000000, 0.0012750500000000, -0.0005072600000000 ] - [ -0.0056207500000000, -0.0035985600000000, -0.0064258200000000 ] - [ 0.0016138100000000, 0.0008174400000000, -0.0010481800000000 ] - [ 0.0094626800000000, -0.0016631000000000, 0.0150757000000000 ] - [ -0.0004288500000000, -0.0021128400000000, -0.0003833400000000 ] - [ -0.0004718000000000, 0.0043371500000000, -0.0106780300000000 ] - [ -0.0005309800000000, -0.0002020100000000, 0.0004449500000000 ] - [ -0.0014501100000000, -0.0009433300000000, 0.0007237300000000 ] - [ -0.0004718000000000, 0.0043371500000000, 0.0106780300000000 ] - [ -0.0004288500000000, -0.0021128400000000, 0.0003833400000000 ] - [ -0.0056207500000000, -0.0035985600000000, 0.0064258200000000 ] - [ -0.0018000500000000, 0.0012750500000000, 0.0005072600000000 ] - [ 0.0094626800000000, -0.0016631000000000, -0.0150757000000000 ] - [ 0.0016138100000000, 0.0008174400000000, 0.0010481800000000 ] - [ 0.0020631900000000, -0.0008361700000000, -0.0005794800000000 ] - [ 0.0023820200000000, -0.0009683800000000, -0.0007722600000000 ] - [ -0.0003321300000000, 0.0021831600000000, -0.0006336200000000 ] - [ -0.0004686800000000, 0.0030042000000000, -0.0007251000000000 ] - [ -0.0004686800000000, 0.0030042000000000, 0.0007251000000000 ] - [ -0.0003321300000000, 0.0021831600000000, 0.0006336200000000 ] - [ -0.0409821000000000, -0.0000421600000000, 0.0000000000000000 ] - [ -0.0001831400000000, -0.0000018200000000, 0.0000000000000000 ] - [ 0.0003980300000000, 0.0002572300000000, 0.0000000000000000 ] - [ 0.0000453300000000, 0.0000927700000000, 0.0000000000000000 ] - [ 0.0317507200000000, -0.0496925800000000, 0.0000000000000000 ] - [ 0.0281534000000000, -0.0484843300000000, 0.0000000000000000 ] - [ 0.0280107200000000, 0.0467834600000000, 0.0000000000000000 ] - [ 0.0281211000000000, 0.0485133200000000, 0.0000000000000000 ] - [ -0.0547547500000000, 0.0018080100000000, 0.0000000000000000 ] - [ -0.0560691500000000, 0.0000424500000000, 0.0000000000000000 ] - [ -0.0001286900000000, 0.0005733700000000, -0.0003279800000000 ] - [ 0.0004208200000000, 0.0010032500000000, -0.0004705800000000 ] - [ 0.0037148200000000, -0.0015486900000000, 0.0005267200000000 ] - [ 0.0005762800000000, -0.0007959900000000, 0.0005186700000000 ] - [ 0.0013067600000000, -0.0031267100000000, 0.0002874400000000 ] - [ 0.0004879200000000, -0.0007216500000000, 0.0004328100000000 ] - [ 0.0004879200000000, -0.0007216500000000, -0.0004328100000000 ] - [ 0.0013067600000000, -0.0031267100000000, -0.0002874400000000 ] - [ 0.0005762800000000, -0.0007959900000000, -0.0005186700000000 ] - [ 0.0037148200000000, -0.0015486900000000, -0.0005267200000000 ] - [ 0.0004208200000000, 0.0010032500000000, 0.0004705800000000 ] - [ -0.0001286900000000, 0.0005733700000000, 0.0003279800000000 ] - [ -0.0014501100000000, -0.0009433300000000, -0.0007237300000000 ] - [ -0.0005309800000000, -0.0002020100000000, -0.0004449500000000 ] - [ 0.0023820200000000, -0.0009683800000000, 0.0007722600000000 ] - [ 0.0020631900000000, -0.0008361700000000, 0.0005794800000000 ] - [ -0.0001491200000000, -0.0002441200000000, 0.0013451700000000 ] - [ -0.0007137300000000, -0.0011376800000000, 0.0013492800000000 ] - [ -0.0007137300000000, -0.0011376800000000, -0.0013492800000000 ] - [ -0.0001491200000000, -0.0002441200000000, -0.0013451700000000 ] - [ 0.0228264400000000, 0.0000124800000000, -0.0020550200000000 ] - [ 0.0006155400000000, -0.0000100200000000, -0.0013459600000000 ] - [ 0.0006155400000000, -0.0000100200000000, 0.0013459600000000 ] - [ 0.0228264400000000, 0.0000124800000000, 0.0020550200000000 ] - [ -0.0016175700000000, -0.0006194700000000, -0.0009083400000000 ] - [ -0.0016175700000000, -0.0006194700000000, 0.0009083400000000 ] - [ 0.0021287400000000, 0.0008483400000000, 0.0002781800000000 ] - [ 0.0021287400000000, 0.0008483400000000, -0.0002781800000000 ] - [ 0.0000691800000000, -0.0006224800000000, 0.0006298500000000 ] - [ 0.0000691800000000, -0.0006224800000000, -0.0006298500000000 ] - [ 0.0523357900000000, -0.0038834400000000, -0.0150104500000000 ] - [ 0.0571641200000000, 0.0001052100000000, -0.0123240300000000 ] - [ -0.0301646200000000, -0.0445338600000000, -0.0141111800000000 ] - [ -0.0290118500000000, -0.0493755900000000, -0.0127716300000000 ] - [ -0.0292586100000000, 0.0500114500000000, 0.0152077200000000 ] - [ -0.0399210100000000, 0.0536266900000000, 0.0112208100000000 ] - [ -0.0290118500000000, -0.0493755900000000, 0.0127716300000000 ] - [ -0.0301646200000000, -0.0445338600000000, 0.0141111800000000 ] - [ -0.0399210100000000, 0.0536266900000000, -0.0112208100000000 ] - [ -0.0292586100000000, 0.0500114500000000, -0.0152077200000000 ] - [ 0.0571641200000000, 0.0001052100000000, 0.0123240300000000 ] - [ 0.0523357900000000, -0.0038834400000000, 0.0150104500000000 ]- atom: 27 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0577039400000000, -0.0005927700000000, -0.0016399500000000 ] - [ -0.0577039400000000, -0.0005927700000000, 0.0016399500000000 ] - [ 0.0281755000000000, 0.0500396400000000, -0.0009861400000000 ] - [ 0.0281755000000000, 0.0500396400000000, 0.0009861400000000 ] - [ 0.0268683200000000, -0.0489537300000000, 0.0026333200000000 ] - [ 0.0268683200000000, -0.0489537300000000, -0.0026333200000000 ] - [ -0.0014887200000000, 0.0011895400000000, -0.0007858200000000 ] - [ 0.0023023100000000, 0.0060544000000000, 0.0051303800000000 ] - [ 0.0021535500000000, 0.0007991600000000, -0.0002475300000000 ] - [ -0.0057363000000000, 0.0033004100000000, -0.0165040000000000 ] - [ -0.0000612700000000, -0.0019659100000000, -0.0009091800000000 ] - [ -0.0000481200000000, -0.0083778900000000, 0.0093413300000000 ] - [ -0.0027547500000000, -0.0022612900000000, 0.0008510900000000 ] - [ -0.0018372700000000, -0.0015202100000000, 0.0005676100000000 ] - [ -0.0000481200000000, -0.0083778900000000, -0.0093413300000000 ] - [ -0.0000612700000000, -0.0019659100000000, 0.0009091800000000 ] - [ 0.0023023100000000, 0.0060544000000000, -0.0051303800000000 ] - [ -0.0014887200000000, 0.0011895400000000, 0.0007858200000000 ] - [ -0.0057363000000000, 0.0033004100000000, 0.0165040000000000 ] - [ 0.0021535500000000, 0.0007991600000000, 0.0002475300000000 ] - [ 0.0017146900000000, -0.0007797900000000, -0.0007121800000000 ] - [ 0.0013917900000000, -0.0006486100000000, -0.0005227900000000 ] - [ -0.0001512000000000, 0.0018883000000000, -0.0006608200000000 ] - [ -0.0000151400000000, 0.0010652700000000, -0.0005720200000000 ] - [ -0.0000151400000000, 0.0010652700000000, 0.0005720200000000 ] - [ -0.0001512000000000, 0.0018883000000000, 0.0006608200000000 ] - [ 0.0410977200000000, -0.0000426900000000, 0.0000000000000000 ] - [ 0.0001869900000000, -0.0000018600000000, 0.0000000000000000 ] - [ -0.0004029700000000, -0.0002584100000000, 0.0000000000000000 ] - [ -0.0000504300000000, -0.0000911800000000, 0.0000000000000000 ] - [ 0.0242793100000000, -0.0474071600000000, 0.0000000000000000 ] - [ 0.0279174300000000, -0.0486277600000000, 0.0000000000000000 ] - [ 0.0280583700000000, 0.0503294400000000, 0.0000000000000000 ] - [ 0.0279510500000000, 0.0486072400000000, 0.0000000000000000 ] - [ -0.0573760100000000, -0.0017893600000000, 0.0000000000000000 ] - [ -0.0560680700000000, -0.0000394200000000, 0.0000000000000000 ] - [ -0.0003567000000000, 0.0002644400000000, -0.0005250800000000 ] - [ -0.0009040300000000, -0.0001635200000000, -0.0003838000000000 ] - [ -0.0042037400000000, 0.0007175000000000, 0.0003320300000000 ] - [ -0.0010614900000000, -0.0000406000000000, 0.0003335100000000 ] - [ -0.0003382300000000, 0.0031333200000000, 0.0005676000000000 ] - [ 0.0004804100000000, 0.0007225100000000, 0.0004195700000000 ] - [ 0.0004804100000000, 0.0007225100000000, -0.0004195700000000 ] - [ -0.0003382300000000, 0.0031333200000000, -0.0005676000000000 ] - [ -0.0010614900000000, -0.0000406000000000, -0.0003335100000000 ] - [ -0.0042037400000000, 0.0007175000000000, -0.0003320300000000 ] - [ -0.0009040300000000, -0.0001635200000000, 0.0003838000000000 ] - [ -0.0003567000000000, 0.0002644400000000, 0.0005250800000000 ] - [ -0.0018372700000000, -0.0015202100000000, -0.0005676100000000 ] - [ -0.0027547500000000, -0.0022612900000000, -0.0008510900000000 ] - [ 0.0013917900000000, -0.0006486100000000, 0.0005227900000000 ] - [ 0.0017146900000000, -0.0007797900000000, 0.0007121800000000 ] - [ 0.0001433500000000, 0.0002516900000000, 0.0013428800000000 ] - [ 0.0007084200000000, 0.0011494800000000, 0.0013468600000000 ] - [ 0.0007084200000000, 0.0011494800000000, -0.0013468600000000 ] - [ 0.0001433500000000, 0.0002516900000000, -0.0013428800000000 ] - [ -0.0227648200000000, -0.0000375500000000, -0.0020520800000000 ] - [ -0.0006067500000000, 0.0000088200000000, -0.0013436500000000 ] - [ -0.0006067500000000, 0.0000088200000000, 0.0013436500000000 ] - [ -0.0227648200000000, -0.0000375500000000, 0.0020520800000000 ] - [ 0.0006564400000000, -0.0010585400000000, 0.0009067900000000 ] - [ 0.0006564400000000, -0.0010585400000000, -0.0009067900000000 ] - [ -0.0001964200000000, -0.0008435600000000, -0.0002776300000000 ] - [ -0.0001964200000000, -0.0008435600000000, 0.0002776300000000 ] - [ -0.0010418000000000, 0.0022958000000000, -0.0006294700000000 ] - [ -0.0010418000000000, 0.0022958000000000, 0.0006294700000000 ] - [ 0.0625964400000000, 0.0038910200000000, -0.0118832600000000 ] - [ 0.0577512100000000, -0.0001046400000000, -0.0145466800000000 ] - [ -0.0272823100000000, -0.0550119800000000, -0.0127767000000000 ] - [ -0.0284442100000000, -0.0501439200000000, -0.0140991900000000 ] - [ -0.0281985700000000, 0.0495071700000000, 0.0116576400000000 ] - [ -0.0175433400000000, 0.0458866100000000, 0.0156824300000000 ] - [ -0.0284442100000000, -0.0501439200000000, 0.0140991900000000 ] - [ -0.0272823100000000, -0.0550119800000000, 0.0127767000000000 ] - [ -0.0175433400000000, 0.0458866100000000, -0.0156824300000000 ] - [ -0.0281985700000000, 0.0495071700000000, -0.0116576400000000 ] - [ 0.0577512100000000, -0.0001046400000000, 0.0145466800000000 ] - [ 0.0625964400000000, 0.0038910200000000, 0.0118832600000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0550040100000000, 0.0019623600000000, 0.0048029600000000 ] - [ -0.0589592100000000, -0.0019561300000000, 0.0047985300000000 ] - [ 0.0292014600000000, 0.0466536900000000, 0.0048029600000000 ] - [ 0.0277855500000000, 0.0520382400000000, 0.0047985300000000 ] - [ 0.0258025500000000, -0.0486160500000000, 0.0048029600000000 ] - [ 0.0311736600000000, -0.0500821100000000, 0.0047985300000000 ] - [ -0.0015647700000000, 0.0008271700000000, 0.0018557600000000 ] - [ -0.0101796900000000, 0.0255042800000000, 0.0206942100000000 ] - [ 0.0014987300000000, 0.0009415400000000, 0.0018557600000000 ] - [ 0.0271772000000000, -0.0039362700000000, 0.0206942100000000 ] - [ 0.0000660300000000, -0.0017687100000000, 0.0018557600000000 ] - [ -0.0169975100000000, -0.0215680100000000, 0.0206942100000000 ] - [ -0.0030050000000000, -0.0022418000000000, -0.0010003100000000 ] - [ -0.0015657300000000, -0.0011223900000000, 0.0025348300000000 ] - [ 0.0166947800000000, 0.0177160700000000, 0.0222266000000000 ] - [ -0.0005522900000000, -0.0023066700000000, 0.0031490100000000 ] - [ 0.0069951800000000, -0.0233161400000000, 0.0222266000000000 ] - [ -0.0017214900000000, 0.0016316400000000, 0.0031490100000000 ] - [ -0.0236899600000000, 0.0056000700000000, 0.0222266000000000 ] - [ 0.0022737800000000, 0.0006750300000000, 0.0031490100000000 ] - [ 0.0020174100000000, -0.0008221700000000, 0.0012421700000000 ] - [ 0.0003348900000000, -0.0001353000000000, -0.0022842300000000 ] - [ -0.0002966900000000, 0.0021582100000000, 0.0012421700000000 ] - [ -0.0000502700000000, 0.0003576800000000, -0.0022842300000000 ] - [ -0.0004389600000000, 0.0037233100000000, -0.0010003100000000 ] - [ -0.0001891500000000, 0.0019171600000000, 0.0025348300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.6692449700000001 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0049722600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0066284800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0043298900000000 ] - [ 0.0280524400000000, -0.0485641900000000, -0.0159667600000000 ] - [ 0.0280335900000000, -0.0485571600000000, 0.0088657600000000 ] - [ 0.0280316000000000, 0.0485762200000000, -0.0159667600000000 ] - [ 0.0280349400000000, 0.0485563800000000, 0.0088657600000000 ] - [ -0.0560840400000000, -0.0000120300000000, -0.0159667600000000 ] - [ -0.0560685300000000, 0.0000007800000000, 0.0088657600000000 ] - [ 0.0002265300000000, 0.0003125500000000, 0.0013747500000000 ] - [ -0.0006362400000000, 0.0008043700000000, -0.0018049400000000 ] - [ -0.0001112400000000, 0.0001142200000000, -0.0009637800000000 ] - [ -0.0001013200000000, -0.0008755700000000, 0.0022265300000000 ] - [ -0.0000433000000000, -0.0001534500000000, -0.0009637800000000 ] - [ 0.0008089300000000, 0.0003500400000000, 0.0022265300000000 ] - [ 0.0001574100000000, -0.0003524500000000, 0.0013747500000000 ] - [ 0.0010147200000000, 0.0001488200000000, -0.0018049400000000 ] - [ -0.0003839400000000, 0.0000399000000000, 0.0013747500000000 ] - [ -0.0003784800000000, -0.0009531800000000, -0.0018049400000000 ] - [ 0.0001545400000000, 0.0000392200000000, -0.0009637800000000 ] - [ -0.0007076100000000, 0.0005255400000000, 0.0022265300000000 ] - [ -0.0017207300000000, -0.0013360400000000, 0.0012421700000000 ] - [ -0.0002846200000000, -0.0002223700000000, -0.0022842300000000 ] - [ 0.0034439600000000, -0.0014815100000000, -0.0010003100000000 ] - [ 0.0017548800000000, -0.0007947700000000, 0.0025348300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030198200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0081760600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0054984000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0057164200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.2733318200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0067680200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0040702100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.2571901400000000 ] - [ -0.0040602100000000, -0.0002442100000000, -0.0039684600000000 ] - [ 0.0030896700000000, -0.0014260200000000, -0.0039704300000000 ] - [ 0.0022415900000000, -0.0033941400000000, -0.0039684600000000 ] - [ -0.0003098600000000, 0.0033887400000000, -0.0039704300000000 ] - [ 0.0018186100000000, 0.0036383400000000, -0.0039684600000000 ] - [ -0.0027798100000000, -0.0019627200000000, -0.0039704300000000 ] - [ 0.0465964500000000, -0.0129948200000000, -0.0009194600000000 ] - [ 0.0570203500000000, 0.0007329600000000, -0.0241617500000000 ] - [ -0.0345520700000000, -0.0338563000000000, -0.0009194600000000 ] - [ -0.0278754100000000, -0.0497475500000000, -0.0241617500000000 ] - [ -0.0283089200000000, 0.0505038900000000, 0.0027046700000000 ] - [ -0.0453661000000000, 0.0526579200000000, 0.0258808000000000 ] - [ -0.0295831900000000, -0.0497681900000000, 0.0027046700000000 ] - [ -0.0229200500000000, -0.0656171600000000, 0.0258808000000000 ] - [ -0.0120443800000000, 0.0468511100000000, -0.0009194600000000 ] - [ -0.0291449400000000, 0.0490145900000000, -0.0241617500000000 ] - [ 0.0578921100000000, -0.0007357000000000, 0.0027046700000000 ] - [ 0.0682861500000000, 0.0129592400000000, 0.0258808000000000 ]- atom: 31 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0563900100000000, -0.0004677700000000, -0.0012630200000000 ] - [ -0.0563900100000000, -0.0004677700000000, 0.0012630200000000 ] - [ 0.0285063300000000, 0.0493592800000000, 0.0008686000000000 ] - [ 0.0285063300000000, 0.0493592800000000, -0.0008686000000000 ] - [ 0.0316277000000000, -0.0486374700000000, -0.0045633700000000 ] - [ 0.0316277000000000, -0.0486374700000000, 0.0045633700000000 ] - [ -0.0015081100000000, 0.0011894000000000, -0.0005328000000000 ] - [ -0.0004157700000000, -0.0000958700000000, -0.0012759700000000 ] - [ 0.0018364300000000, 0.0008192600000000, -0.0000737000000000 ] - [ 0.0070848400000000, 0.0003648100000000, -0.0122842800000000 ] - [ 0.0000740800000000, -0.0018693300000000, -0.0005867100000000 ] - [ 0.0023791600000000, -0.0005480000000000, -0.0010384000000000 ] - [ -0.0036741000000000, 0.0014753700000000, -0.0028361600000000 ] - [ -0.0016367800000000, -0.0007892900000000, 0.0007951700000000 ] - [ 0.0023791600000000, -0.0005480000000000, 0.0010384000000000 ] - [ 0.0000740800000000, -0.0018693300000000, 0.0005867100000000 ] - [ -0.0004157700000000, -0.0000958700000000, 0.0012759700000000 ] - [ -0.0015081100000000, 0.0011894000000000, 0.0005328000000000 ] - [ 0.0070848400000000, 0.0003648100000000, 0.0122842800000000 ] - [ 0.0018364300000000, 0.0008192600000000, 0.0000737000000000 ] - [ 0.0020543200000000, -0.0006389300000000, -0.0005678800000000 ] - [ 0.0026505000000000, -0.0004361700000000, -0.0005938900000000 ] - [ -0.0001008300000000, 0.0019836000000000, -0.0006159400000000 ] - [ 0.0001358000000000, 0.0019917400000000, -0.0004148300000000 ] - [ 0.0001358000000000, 0.0019917400000000, 0.0004148300000000 ] - [ -0.0001008300000000, 0.0019836000000000, 0.0006159400000000 ] - [ 0.0037678300000000, -0.0004048300000000, 0.0000000000000000 ] - [ 0.0001173600000000, 0.0000258100000000, 0.0000000000000000 ] - [ -0.0000264800000000, 0.0010254000000000, 0.0000000000000000 ] - [ 0.0000826600000000, 0.0000935000000000, 0.0000000000000000 ] - [ -0.0154854400000000, -0.0397875100000000, 0.0000000000000000 ] - [ 0.0284540600000000, -0.0477433200000000, 0.0000000000000000 ] - [ 0.0280792800000000, 0.0484408600000000, 0.0000000000000000 ] - [ 0.0280777100000000, 0.0485298200000000, 0.0000000000000000 ] - [ -0.0549349100000000, -0.0005165500000000, 0.0000000000000000 ] - [ -0.0559351200000000, -0.0000234900000000, 0.0000000000000000 ] - [ -0.0004239300000000, 0.0001913000000000, -0.0003732900000000 ] - [ -0.0012696100000000, -0.0006923900000000, -0.0003975800000000 ] - [ 0.0066330000000000, -0.0057525900000000, -0.0083818400000000 ] - [ -0.0002417300000000, -0.0004683200000000, 0.0005475800000000 ] - [ -0.0025604600000000, 0.0019796200000000, 0.0027150300000000 ] - [ 0.0003296700000000, -0.0005160900000000, 0.0003783200000000 ] - [ 0.0003296700000000, -0.0005160900000000, -0.0003783200000000 ] - [ -0.0025604600000000, 0.0019796200000000, -0.0027150300000000 ] - [ -0.0002417300000000, -0.0004683200000000, -0.0005475800000000 ] - [ 0.0066330000000000, -0.0057525900000000, 0.0083818400000000 ] - [ -0.0012696100000000, -0.0006923900000000, 0.0003975800000000 ] - [ -0.0004239300000000, 0.0001913000000000, 0.0003732900000000 ] - [ -0.0016367800000000, -0.0007892900000000, -0.0007951700000000 ] - [ -0.0036741000000000, 0.0014753700000000, 0.0028361600000000 ] - [ 0.0026505000000000, -0.0004361700000000, 0.0005938900000000 ] - [ 0.0020543200000000, -0.0006389300000000, 0.0005678800000000 ] - [ -0.0002173100000000, -0.0003045000000000, 0.0013037500000000 ] - [ -0.0004280400000000, -0.0017954300000000, 0.0009331700000000 ] - [ -0.0004280400000000, -0.0017954300000000, -0.0009331700000000 ] - [ -0.0002173100000000, -0.0003045000000000, -0.0013037500000000 ] - [ -0.0071461700000000, 0.0005391700000000, -0.0039880500000000 ] - [ -0.0003723800000000, -0.0000659500000000, -0.0011669300000000 ] - [ -0.0003723800000000, -0.0000659500000000, 0.0011669300000000 ] - [ -0.0071461700000000, 0.0005391700000000, 0.0039880500000000 ] - [ -0.0014867700000000, -0.0014122600000000, 0.0004010500000000 ] - [ -0.0014867700000000, -0.0014122600000000, -0.0004010500000000 ] - [ 0.0007162900000000, -0.0010632600000000, -0.0009446000000000 ] - [ 0.0007162900000000, -0.0010632600000000, 0.0009446000000000 ] - [ 0.0002981700000000, 0.0019262400000000, -0.0007988300000000 ] - [ 0.0002981700000000, 0.0019262400000000, 0.0007988300000000 ] - [ 0.0528547000000000, 0.0037229500000000, -0.0124747700000000 ] - [ 0.0571442000000000, 0.0001689000000000, -0.0140746300000000 ] - [ -0.0283437700000000, -0.0496517700000000, -0.0139033100000000 ] - [ -0.0288035300000000, -0.0494112800000000, -0.0128505300000000 ] - [ -0.0283343300000000, 0.0491414300000000, 0.0141489400000000 ] - [ -0.0120700400000000, 0.0449437400000000, 0.0342552900000000 ] - [ -0.0288035300000000, -0.0494112800000000, 0.0128505300000000 ] - [ -0.0283437700000000, -0.0496517700000000, 0.0139033100000000 ] - [ -0.0120700400000000, 0.0449437400000000, -0.0342552900000000 ] - [ -0.0283343300000000, 0.0491414300000000, -0.0141489400000000 ] - [ 0.0571442000000000, 0.0001689000000000, 0.0140746300000000 ] - [ 0.0528547000000000, 0.0037229500000000, 0.0124747700000000 ]- atom: 31 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0575809800000000, 0.0004720400000000, 0.0013052800000000 ] - [ -0.0575809800000000, 0.0004720400000000, -0.0013052800000000 ] - [ 0.0284793100000000, 0.0493332600000000, -0.0008548500000000 ] - [ 0.0284793100000000, 0.0493332600000000, 0.0008548500000000 ] - [ 0.0252902800000000, -0.0500310200000000, 0.0043259100000000 ] - [ 0.0252902800000000, -0.0500310200000000, -0.0043259100000000 ] - [ -0.0017825800000000, 0.0012743400000000, -0.0007549300000000 ] - [ -0.0028653500000000, 0.0025436400000000, -0.0000226600000000 ] - [ 0.0019066100000000, 0.0008024000000000, -0.0012183700000000 ] - [ -0.0032720000000000, 0.0012378100000000, 0.0108248600000000 ] - [ -0.0005669700000000, -0.0022117700000000, -0.0007003300000000 ] - [ -0.0028621900000000, -0.0035239900000000, -0.0002613500000000 ] - [ 0.0004234800000000, -0.0039221600000000, 0.0041347400000000 ] - [ -0.0016442900000000, -0.0016568400000000, 0.0004965700000000 ] - [ -0.0028621900000000, -0.0035239900000000, 0.0002613500000000 ] - [ -0.0005669700000000, -0.0022117700000000, 0.0007003300000000 ] - [ -0.0028653500000000, 0.0025436400000000, 0.0000226600000000 ] - [ -0.0017825800000000, 0.0012743400000000, 0.0007549300000000 ] - [ -0.0032720000000000, 0.0012378100000000, -0.0108248600000000 ] - [ 0.0019066100000000, 0.0008024000000000, 0.0012183700000000 ] - [ 0.0017253600000000, -0.0009765200000000, -0.0007205400000000 ] - [ 0.0011273600000000, -0.0011811700000000, -0.0007019800000000 ] - [ -0.0003863300000000, 0.0020931400000000, -0.0006737100000000 ] - [ -0.0006259100000000, 0.0020888700000000, -0.0008860500000000 ] - [ -0.0006259100000000, 0.0020888700000000, 0.0008860500000000 ] - [ -0.0003863300000000, 0.0020931400000000, 0.0006737100000000 ] - [ -0.0037031500000000, 0.0003907000000000, 0.0000000000000000 ] - [ -0.0001182800000000, -0.0000294600000000, 0.0000000000000000 ] - [ 0.0000205100000000, -0.0010319600000000, 0.0000000000000000 ] - [ -0.0000871500000000, -0.0000876300000000, 0.0000000000000000 ] - [ 0.0708208600000000, -0.0569950500000000, 0.0000000000000000 ] - [ 0.0275800800000000, -0.0493338200000000, 0.0000000000000000 ] - [ 0.0279950100000000, 0.0486661200000000, 0.0000000000000000 ] - [ 0.0279956600000000, 0.0485881100000000, 0.0000000000000000 ] - [ -0.0571927600000000, 0.0005130600000000, 0.0000000000000000 ] - [ -0.0562010200000000, 0.0000242500000000, 0.0000000000000000 ] - [ -0.0000561500000000, 0.0006454600000000, -0.0004758600000000 ] - [ 0.0007962800000000, 0.0015361900000000, -0.0004576300000000 ] - [ -0.0072287500000000, 0.0050085500000000, 0.0093904900000000 ] - [ -0.0002181300000000, -0.0003792700000000, 0.0003047000000000 ] - [ 0.0035046800000000, -0.0020224000000000, -0.0018654500000000 ] - [ 0.0006358600000000, 0.0004916800000000, 0.0004749900000000 ] - [ 0.0006358600000000, 0.0004916800000000, -0.0004749900000000 ] - [ 0.0035046800000000, -0.0020224000000000, 0.0018654500000000 ] - [ -0.0002181300000000, -0.0003792700000000, -0.0003047000000000 ] - [ -0.0072287500000000, 0.0050085500000000, -0.0093904900000000 ] - [ 0.0007962800000000, 0.0015361900000000, 0.0004576300000000 ] - [ -0.0000561500000000, 0.0006454600000000, 0.0004758600000000 ] - [ -0.0016442900000000, -0.0016568400000000, -0.0004965700000000 ] - [ 0.0004234800000000, -0.0039221600000000, -0.0041347400000000 ] - [ 0.0011273600000000, -0.0011811700000000, 0.0007019800000000 ] - [ 0.0017253600000000, -0.0009765200000000, 0.0007205400000000 ] - [ 0.0002092900000000, 0.0002992400000000, 0.0013854600000000 ] - [ 0.0004213700000000, 0.0017949300000000, 0.0017729700000000 ] - [ 0.0004213700000000, 0.0017949300000000, -0.0017729700000000 ] - [ 0.0002092900000000, 0.0002992400000000, -0.0013854600000000 ] - [ 0.0071156400000000, -0.0005292200000000, 0.0012629900000000 ] - [ 0.0003933500000000, 0.0000635400000000, -0.0015210300000000 ] - [ 0.0003933500000000, 0.0000635400000000, 0.0015210300000000 ] - [ 0.0071156400000000, -0.0005292200000000, -0.0012629900000000 ] - [ 0.0005049000000000, -0.0002634300000000, -0.0004147900000000 ] - [ 0.0005049000000000, -0.0002634300000000, 0.0004147900000000 ] - [ 0.0012323400000000, 0.0010620300000000, 0.0009310300000000 ] - [ 0.0012323400000000, 0.0010620300000000, -0.0009310300000000 ] - [ -0.0012595900000000, -0.0002516500000000, 0.0007838500000000 ] - [ -0.0012595900000000, -0.0002516500000000, -0.0007838500000000 ] - [ 0.0620817700000000, -0.0037686300000000, -0.0144163900000000 ] - [ 0.0577593500000000, -0.0001580500000000, -0.0127674400000000 ] - [ -0.0291300300000000, -0.0498339800000000, -0.0129788600000000 ] - [ -0.0286612100000000, -0.0500909200000000, -0.0140071000000000 ] - [ -0.0290924100000000, 0.0503482800000000, 0.0127679400000000 ] - [ -0.0449292300000000, 0.0543534200000000, -0.0064860500000000 ] - [ -0.0286612100000000, -0.0500909200000000, 0.0140071000000000 ] - [ -0.0291300300000000, -0.0498339800000000, 0.0129788600000000 ] - [ -0.0449292300000000, 0.0543534200000000, 0.0064860500000000 ] - [ -0.0290924100000000, 0.0503482800000000, -0.0127679400000000 ] - [ 0.0577593500000000, -0.0001580500000000, 0.0127674400000000 ] - [ 0.0620817700000000, -0.0037686300000000, 0.0144163900000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0584993900000000, 0.0017084800000000, 0.0060055900000000 ] - [ -0.0554686600000000, -0.0017117600000000, 0.0060525700000000 ] - [ 0.0277701100000000, 0.0515162000000000, 0.0060055900000000 ] - [ 0.0292167600000000, 0.0471813900000000, 0.0060525700000000 ] - [ 0.0287486200000000, -0.0497940700000000, 0.0681963400000000 ] - [ 0.0282660500000000, -0.0489582400000000, 0.0674230500000000 ] - [ -0.0015131100000000, 0.0013283400000000, 0.0024935400000000 ] - [ -0.0035021000000000, 0.0016795900000000, -0.0032463200000000 ] - [ 0.0052981500000000, 0.0000250000000000, 0.0045906400000000 ] - [ -0.0204979200000000, 0.0043965900000000, 0.0095316500000000 ] - [ 0.0001743200000000, -0.0018390300000000, 0.0022837900000000 ] - [ -0.0016327600000000, -0.0031827900000000, -0.0033567800000000 ] - [ -0.0097977100000000, -0.0226036400000000, 0.0108082500000000 ] - [ -0.0006263000000000, 0.0020761000000000, 0.0058838100000000 ] - [ 0.0011364000000000, -0.0009031500000000, -0.0020913600000000 ] - [ -0.0006607000000000, -0.0022367000000000, 0.0035845000000000 ] - [ 0.0002119200000000, 0.0007967500000000, -0.0019784800000000 ] - [ -0.0017697300000000, 0.0011312000000000, 0.0037955200000000 ] - [ 0.0244741800000000, -0.0028167500000000, 0.0108082500000000 ] - [ -0.0014848100000000, 0.0015804500000000, 0.0058838100000000 ] - [ 0.0015054900000000, -0.0010704800000000, 0.0022837900000000 ] - [ 0.0035727600000000, -0.0001773800000000, -0.0033567800000000 ] - [ -0.0003938200000000, 0.0019745600000000, 0.0024935400000000 ] - [ 0.0002964800000000, 0.0038727000000000, -0.0032463200000000 ] - [ -0.0007959600000000, 0.0002148400000000, -0.0019784800000000 ] - [ -0.0000947800000000, 0.0020982300000000, 0.0037955200000000 ] - [ -0.0000303800000000, 0.0000059500000000, -0.0159655500000000 ] - [ 0.0000056000000000, -0.0000002200000000, 0.0088658800000000 ] - [ 0.0000100400000000, 0.0000292800000000, -0.0159655500000000 ] - [ -0.0000026100000000, -0.0000049600000000, 0.0088658800000000 ] - [ 0.0291202200000000, -0.0504377000000000, -0.3390952200000000 ] - [ 0.0280466400000000, -0.0485782100000000, 0.0313003100000000 ] - [ 0.0280391600000000, 0.0485513300000000, -0.0256177100000000 ] - [ 0.0280338100000000, 0.0485587600000000, 0.0149090700000000 ] - [ -0.0560662700000000, -0.0000069500000000, -0.0256177100000000 ] - [ -0.0560700300000000, 0.0000013900000000, 0.0149090700000000 ] - [ -0.0001705800000000, 0.0002954500000000, 0.0019674500000000 ] - [ 0.0008867800000000, -0.0015359500000000, -0.0022695300000000 ] - [ -0.0362236200000000, 0.0169207600000000, 0.0053737800000000 ] - [ 0.0034261200000000, -0.0026327900000000, 0.0046294900000000 ] - [ 0.0034580000000000, 0.0398309500000000, 0.0053737800000000 ] - [ 0.0005670000000000, -0.0042835000000000, 0.0046294900000000 ] - [ 0.0004084700000000, 0.0043407300000000, 0.0037815400000000 ] - [ -0.0024313200000000, -0.0396180300000000, 0.0047085000000000 ] - [ -0.0039634200000000, 0.0018166200000000, 0.0037815400000000 ] - [ 0.0355258800000000, -0.0177034300000000, 0.0047085000000000 ] - [ -0.0013738600000000, 0.0023796000000000, -0.0014418800000000 ] - [ -0.0003168100000000, 0.0005487400000000, 0.0028266200000000 ] - [ -0.0026707300000000, -0.0045758300000000, 0.0045906400000000 ] - [ 0.0064414000000000, 0.0199500100000000, 0.0095316500000000 ] - [ 0.0002139500000000, -0.0014357200000000, -0.0020913600000000 ] - [ 0.0022673900000000, -0.0005461700000000, 0.0035845000000000 ] - [ 0.0008876700000000, 0.0020739500000000, -0.0070598500000000 ] - [ -0.0044054000000000, -0.0123097600000000, 0.0174180900000000 ] - [ 0.0043880100000000, 0.0122618500000000, 0.0148748700000000 ] - [ -0.0008837500000000, -0.0020552400000000, -0.0097516200000000 ] - [ -0.0128130800000000, 0.0023307900000000, 0.0148748700000000 ] - [ 0.0022217600000000, -0.0002622600000000, -0.0097516200000000 ] - [ -0.0022399300000000, 0.0002682300000000, -0.0070598500000000 ] - [ 0.0128632700000000, -0.0023396900000000, 0.0174180900000000 ] - [ 0.0039735600000000, 0.0009236000000000, -0.0039941700000000 ] - [ -0.0049195800000000, -0.0025874900000000, -0.0040340100000000 ] - [ -0.0027866400000000, -0.0029794100000000, -0.0039941700000000 ] - [ 0.0047006300000000, 0.0029667400000000, -0.0040340100000000 ] - [ -0.0029166400000000, 0.0050517600000000, -0.0037110900000000 ] - [ 0.0019452400000000, -0.0033692600000000, -0.0037507500000000 ] - [ 0.0743418500000000, -0.0158236400000000, 0.0014276600000000 ] - [ 0.0541595200000000, 0.0022236200000000, -0.0295121300000000 ] - [ -0.0234672500000000, -0.0722937500000000, 0.0014276600000000 ] - [ -0.0290054700000000, -0.0457917100000000, -0.0295121300000000 ] - [ -0.0306106800000000, 0.0530192600000000, -0.0298567300000000 ] - [ -0.0239096200000000, 0.0414126700000000, 0.0909928900000000 ] - [ -0.0284400300000000, -0.0537617900000000, -0.0026069000000000 ] - [ -0.0339886900000000, -0.0272404200000000, 0.0282161900000000 ] - [ -0.0346580100000000, 0.0600294300000000, 0.0739784200000000 ] - [ -0.0268653800000000, 0.0465322000000000, -0.0566000300000000 ] - [ 0.0607790900000000, -0.0022511000000000, -0.0026069000000000 ] - [ 0.0405852400000000, 0.0158148600000000, 0.0282161900000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0538166700000000, 0.0071530900000000, 0.0307858300000000 ] - [ -0.0573019800000000, -0.0004600800000000, -0.0041790100000000 ] - [ 0.0353612400000000, 0.0517243800000000, -0.0356875200000000 ] - [ 0.0278713400000000, 0.0493530500000000, 0.0046341200000000 ] - [ 0.0272755400000000, -0.0506417700000000, -0.0014411500000000 ] - [ 0.0281375900000000, -0.0495961100000000, 0.0003107500000000 ] - [ -0.0020781100000000, 0.0273687100000000, -0.0029757300000000 ] - [ -0.0019262300000000, 0.0020555700000000, -0.0005177700000000 ] - [ 0.0046770100000000, 0.0011304700000000, -0.0012728900000000 ] - [ 0.0018786500000000, 0.0008566200000000, -0.0005738500000000 ] - [ 0.0237395300000000, 0.0250005300000000, 0.0028130000000000 ] - [ 0.0001440000000000, -0.0015282700000000, -0.0006724400000000 ] - [ -0.0007442800000000, -0.0018214300000000, 0.0008635200000000 ] - [ -0.0014228400000000, -0.0015751000000000, 0.0007459100000000 ] - [ 0.0021877500000000, 0.0007657100000000, 0.0025828800000000 ] - [ 0.0014911400000000, 0.0004373900000000, -0.0013503000000000 ] - [ -0.0029149500000000, 0.0043530700000000, -0.0004097200000000 ] - [ -0.0026508200000000, 0.0039375700000000, 0.0018763500000000 ] - [ 0.0020486800000000, 0.0003407000000000, 0.0011565800000000 ] - [ 0.0020424100000000, 0.0009795300000000, 0.0005484400000000 ] - [ 0.0472652900000000, 0.0066107600000000, -0.0045372800000000 ] - [ 0.0025739200000000, -0.0007190500000000, -0.0005362600000000 ] - [ 0.0346266600000000, -0.0075144000000000, 0.0027342200000000 ] - [ 0.0002885000000000, 0.0014360300000000, -0.0006918700000000 ] - [ 0.0020773300000000, 0.0003322700000000, 0.0021892800000000 ] - [ 0.0015548100000000, 0.0000688200000000, -0.0006481300000000 ] - [ 0.0001147100000000, 0.0007841600000000, 0.0004730200000000 ] - [ 0.0006599300000000, 0.0030331700000000, -0.0003953000000000 ] - [ 0.0008182400000000, -0.0002514200000000, -0.0001371400000000 ] - [ 0.0039718300000000, -0.0013158800000000, -0.0001182000000000 ] - [ 0.0278507300000000, -0.0487834400000000, 0.0000807700000000 ] - [ 0.0269978500000000, -0.0496726300000000, 0.0011275900000000 ] - [ 0.0280208000000000, 0.0491462700000000, -0.0036997300000000 ] - [ 0.0349437700000000, 0.0523297600000000, 0.0361003800000000 ] - [ -0.0556732200000000, -0.0001867600000000, 0.0037860900000000 ] - [ -0.0511648300000000, 0.0065704300000000, -0.0328694500000000 ] - [ -0.2496691700000000, -0.1002368800000000, 0.0020411100000000 ] - [ -0.0023082400000000, -0.0007581800000000, -0.0003961100000000 ] - [ -0.0033195700000000, 0.0013972400000000, 0.0013467600000000 ] - [ -0.0042811400000000, 0.0015923800000000, -0.0005934800000000 ] - [ 0.0005967100000000, -0.0036656100000000, -0.0006767400000000 ] - [ 0.0002568400000000, -0.0042285900000000, 0.0017280300000000 ] - [ 0.0136441900000000, -0.0355274700000000, -0.0022084000000000 ] - [ 0.0004833700000000, -0.0010236800000000, -0.0003759900000000 ] - [ -0.0200608500000000, 0.0159851200000000, 0.0003156500000000 ] - [ -0.0011338900000000, 0.0000854400000000, -0.0004014100000000 ] - [ -0.0092733600000000, -0.0040657100000000, 0.0005295400000000 ] - [ -0.0093856800000000, -0.0045358900000000, 0.0003526400000000 ] - [ 0.0018477400000000, -0.0033733400000000, -0.0006869800000000 ] - [ -0.0016177100000000, -0.0013317300000000, -0.0006227700000000 ] - [ 0.0059677000000000, -0.0000044200000000, -0.0016099700000000 ] - [ 0.0050718600000000, -0.0005247700000000, 0.0025731700000000 ] - [ -0.0249756600000000, 0.0108264300000000, -0.0000256100000000 ] - [ -0.0007857200000000, 0.0003218600000000, 0.0013733900000000 ] - [ -0.0039076200000000, 0.0009473100000000, -0.0015872400000000 ] - [ -0.0038847600000000, 0.0011539300000000, -0.0008492100000000 ] - [ -0.0003524700000000, -0.0032935500000000, -0.0016888500000000 ] - [ -0.0008429200000000, -0.0036156500000000, -0.0009739400000000 ] - [ -0.0031754400000000, -0.0191044600000000, 0.0023017200000000 ] - [ -0.0001126700000000, -0.0008375300000000, 0.0010037000000000 ] - [ -0.0012069800000000, -0.0084010200000000, 0.0003954600000000 ] - [ -0.0005974200000000, -0.0021885100000000, -0.0000342700000000 ] - [ -0.0070197600000000, 0.0027385300000000, 0.0005014600000000 ] - [ -0.0003345100000000, 0.0005617400000000, -0.0000718100000000 ] - [ 0.0059243200000000, 0.0053427800000000, -0.0016876900000000 ] - [ 0.0001524500000000, 0.0012115400000000, 0.0000442800000000 ] - [ 0.0595846600000000, 0.0022253100000000, -0.0327240900000000 ] - [ 0.0657685500000000, 0.0030213800000000, 0.0087785400000000 ] - [ -0.0247434200000000, -0.0499665300000000, 0.0072572200000000 ] - [ -0.0211402200000000, -0.0445555200000000, -0.0368031000000000 ] - [ -0.0090322800000000, 0.0679807500000000, 0.0145193800000000 ] - [ -0.0279248400000000, 0.0503097100000000, 0.0131545600000000 ] - [ 0.0588345300000000, -0.0269771500000000, 0.0158724000000000 ] - [ -0.0276863200000000, -0.0494273300000000, 0.0131174800000000 ] - [ -0.0264638900000000, 0.0522554800000000, -0.0127722400000000 ] - [ -0.0250843000000000, 0.0520934600000000, -0.0144473500000000 ] - [ 0.0948862600000000, 0.0151830700000000, 0.0105682500000000 ] - [ 0.0583763100000000, 0.0007083600000000, 0.0133675000000000 ]- atom: 37 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0600022400000000, -0.0070904000000000, -0.0307707100000000 ] - [ -0.0566646600000000, 0.0004629700000000, 0.0041841200000000 ] - [ 0.0215091200000000, 0.0469598800000000, 0.0353510000000000 ] - [ 0.0290999100000000, 0.0493431600000000, -0.0045877900000000 ] - [ 0.0296965300000000, -0.0480632300000000, 0.0014286100000000 ] - [ 0.0288465600000000, -0.0491051400000000, -0.0003062500000000 ] - [ -0.0013425400000000, -0.0247383200000000, 0.0016643300000000 ] - [ -0.0013650600000000, 0.0004144700000000, -0.0007707300000000 ] - [ -0.0009314000000000, 0.0004473800000000, -0.0000314200000000 ] - [ 0.0018878800000000, 0.0007598700000000, -0.0007184500000000 ] - [ -0.0243892100000000, -0.0291241500000000, -0.0041653100000000 ] - [ -0.0006347600000000, -0.0025513200000000, -0.0006168900000000 ] - [ -0.0025188500000000, -0.0006506000000000, 0.0004419600000000 ] - [ -0.0018581200000000, -0.0008838900000000, 0.0005484000000000 ] - [ -0.0026670800000000, -0.0048327100000000, -0.0012836300000000 ] - [ -0.0019838800000000, -0.0045155500000000, 0.0026403100000000 ] - [ -0.0003892900000000, -0.0018792900000000, 0.0017071200000000 ] - [ -0.0006478100000000, -0.0014599600000000, -0.0005784300000000 ] - [ 0.0017155900000000, 0.0012552600000000, 0.0001495200000000 ] - [ 0.0017220300000000, 0.0006359100000000, 0.0007442400000000 ] - [ -0.0429634300000000, -0.0081078300000000, 0.0031299500000000 ] - [ 0.0012114400000000, -0.0008962500000000, -0.0007526400000000 ] - [ -0.0354053200000000, 0.0116393100000000, -0.0040822500000000 ] - [ -0.0007705900000000, 0.0026340400000000, -0.0006002000000000 ] - [ -0.0025406300000000, 0.0037373300000000, -0.0008850900000000 ] - [ -0.0020289200000000, 0.0039966200000000, 0.0019414800000000 ] - [ -0.0001116500000000, -0.0007858200000000, -0.0004612900000000 ] - [ -0.0006633100000000, -0.0030406300000000, 0.0003956200000000 ] - [ -0.0008176600000000, 0.0002527800000000, 0.0001453200000000 ] - [ -0.0039450600000000, 0.0013233600000000, 0.0001489400000000 ] - [ 0.0282198300000000, -0.0483302600000000, -0.0000656800000000 ] - [ 0.0290650600000000, -0.0474453000000000, -0.0011332200000000 ] - [ 0.0280453900000000, 0.0479761700000000, 0.0036892400000000 ] - [ 0.0210868600000000, 0.0448293800000000, -0.0356517300000000 ] - [ -0.0564590900000000, 0.0001912300000000, -0.0037615200000000 ] - [ -0.0609148500000000, -0.0065620100000000, 0.0329918900000000 ] - [ 0.2434844500000000, 0.1020831100000000, -0.0020869800000000 ] - [ 0.0018140600000000, 0.0015915600000000, -0.0004529000000000 ] - [ 0.0028293300000000, -0.0022293000000000, -0.0004888700000000 ] - [ 0.0037963600000000, -0.0024275500000000, 0.0014371900000000 ] - [ 0.0003668700000000, 0.0036438700000000, 0.0015241500000000 ] - [ 0.0007077800000000, 0.0041948000000000, -0.0008749900000000 ] - [ -0.0124658700000000, 0.0350080400000000, 0.0013452300000000 ] - [ 0.0004857900000000, 0.0010136100000000, -0.0004736400000000 ] - [ 0.0195647900000000, -0.0165953800000000, -0.0011519600000000 ] - [ 0.0006507900000000, -0.0009225400000000, -0.0004483000000000 ] - [ 0.0087446800000000, 0.0048910300000000, 0.0003346000000000 ] - [ 0.0088567100000000, 0.0053589000000000, 0.0004792100000000 ] - [ -0.0050973100000000, 0.0009455100000000, -0.0006134800000000 ] - [ -0.0016684200000000, -0.0011315800000000, -0.0006668500000000 ] - [ -0.0021705800000000, -0.0016057000000000, 0.0028884800000000 ] - [ -0.0012718700000000, -0.0010895400000000, -0.0012647600000000 ] - [ 0.0248436500000000, -0.0109017800000000, 0.0026503500000000 ] - [ 0.0007752500000000, -0.0003160900000000, 0.0013053600000000 ] - [ 0.0038730000000000, -0.0009477400000000, -0.0011073100000000 ] - [ 0.0038510600000000, -0.0011478200000000, -0.0018480800000000 ] - [ 0.0003674100000000, 0.0032878000000000, -0.0010094500000000 ] - [ 0.0008605500000000, 0.0036087000000000, -0.0017015700000000 ] - [ 0.0031960500000000, 0.0191017400000000, 0.0003714100000000 ] - [ 0.0001240200000000, 0.0008317900000000, 0.0016729700000000 ] - [ 0.0002275800000000, 0.0066733800000000, -0.0003830300000000 ] - [ -0.0003731400000000, 0.0005043200000000, 0.0000304900000000 ] - [ 0.0089318600000000, -0.0027075500000000, -0.0004594300000000 ] - [ 0.0022651600000000, -0.0005572400000000, 0.0000680900000000 ] - [ -0.0069645700000000, -0.0035234900000000, 0.0015173000000000 ] - [ -0.0011158700000000, 0.0004631100000000, -0.0000426100000000 ] - [ 0.0553230900000000, -0.0022268900000000, 0.0057527400000000 ] - [ 0.0491277700000000, -0.0030365900000000, -0.0356020300000000 ] - [ -0.0326687900000000, -0.0495538600000000, -0.0340456100000000 ] - [ -0.0362264800000000, -0.0549081400000000, 0.0097899600000000 ] - [ -0.0481965800000000, 0.0316655300000000, 0.0123711700000000 ] - [ -0.0295304600000000, 0.0492149900000000, 0.0136993800000000 ] - [ -0.1079209000000000, -0.0699256000000000, 0.0106208500000000 ] - [ -0.0297626400000000, -0.0500883500000000, 0.0137312200000000 ] - [ -0.0309863100000000, 0.0472892800000000, -0.0141140700000000 ] - [ -0.0323605300000000, 0.0474361200000000, -0.0124095800000000 ] - [ 0.0170800600000000, -0.0190548400000000, 0.0160949900000000 ] - [ 0.0565414800000000, -0.0007061000000000, 0.0134815100000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0488289000000000, 0.0088887600000000, 0.0094972800000000 ] - [ -0.0569641200000000, -0.0000293600000000, 0.0038991000000000 ] - [ 0.0167165600000000, 0.0467314500000000, 0.0094972800000000 ] - [ 0.0285074900000000, 0.0493177000000000, 0.0038991000000000 ] - [ 0.0285286500000000, -0.0494130600000000, -0.0025745800000000 ] - [ 0.0285331700000000, -0.0494209000000000, 0.0020901400000000 ] - [ -0.0023235800000000, -0.0002671800000000, -0.0042480300000000 ] - [ -0.0016908500000000, 0.0013390300000000, 0.0001621900000000 ] - [ 0.0021586700000000, 0.0001265000000000, -0.0019520100000000 ] - [ 0.0019799200000000, 0.0008073500000000, 0.0000478900000000 ] - [ -0.0010188400000000, -0.0030993600000000, -0.0000858400000000 ] - [ -0.0003332700000000, -0.0021412000000000, 0.0002062500000000 ] - [ -0.0010647200000000, -0.0019539800000000, 0.0012315300000000 ] - [ -0.0015258100000000, -0.0009540200000000, 0.0008232000000000 ] - [ 0.0008851400000000, -0.0009463600000000, 0.0015872900000000 ] - [ -0.0008940000000000, -0.0027440400000000, 0.0015961800000000 ] - [ -0.0019041100000000, 0.0006596800000000, 0.0012718100000000 ] - [ -0.0017068500000000, 0.0016947300000000, 0.0011996500000000 ] - [ 0.0022245600000000, -0.0000549100000000, 0.0012315300000000 ] - [ 0.0015891100000000, 0.0008443800000000, 0.0008232000000000 ] - [ 0.0031935400000000, -0.0006673400000000, -0.0000858400000000 ] - [ 0.0020209700000000, -0.0007819700000000, 0.0002062500000000 ] - [ 0.0013931800000000, 0.0018786900000000, -0.0042480300000000 ] - [ -0.0003142100000000, 0.0021338300000000, 0.0001621900000000 ] - [ 0.0003807600000000, 0.0019788500000000, 0.0012718100000000 ] - [ -0.0006142600000000, 0.0023255400000000, 0.0011996500000000 ] - [ 0.0000992300000000, 0.0000493900000000, 0.0017988400000000 ] - [ -0.0000396900000000, 0.0001397800000000, -0.0014032700000000 ] - [ -0.0000923800000000, -0.0000612400000000, 0.0017988400000000 ] - [ -0.0001012000000000, 0.0001042600000000, -0.0014032700000000 ] - [ 0.0280851500000000, -0.0486449100000000, 0.0023984700000000 ] - [ 0.0280646700000000, -0.0486094300000000, -0.0018739400000000 ] - [ 0.0279134500000000, 0.0485442200000000, 0.0041994200000000 ] - [ 0.0369746300000000, 0.0510637600000000, 0.0050553400000000 ] - [ -0.0559972500000000, 0.0000983500000000, 0.0041994200000000 ] - [ -0.0627098300000000, -0.0064890900000000, 0.0050553400000000 ] - [ 0.0019456300000000, -0.0033699400000000, -0.0520957200000000 ] - [ -0.0002137300000000, 0.0003701900000000, 0.0004117400000000 ] - [ -0.0011564800000000, 0.0003177900000000, 0.0007525500000000 ] - [ 0.0007774000000000, -0.0013386900000000, 0.0009818300000000 ] - [ 0.0003030300000000, 0.0011604400000000, 0.0007525500000000 ] - [ 0.0007706400000000, -0.0013425900000000, 0.0009818300000000 ] - [ 0.0015168100000000, -0.0014193000000000, -0.0040540700000000 ] - [ 0.0004114600000000, 0.0000123200000000, 0.0002283700000000 ] - [ 0.0004707400000000, -0.0020232500000000, -0.0040540700000000 ] - [ -0.0002164000000000, -0.0003501800000000, 0.0002283700000000 ] - [ -0.0003380100000000, 0.0005854600000000, 0.0018129000000000 ] - [ -0.0001771200000000, 0.0003067700000000, 0.0015869800000000 ] - [ -0.0011888900000000, -0.0018062100000000, -0.0019520100000000 ] - [ -0.0016891400000000, -0.0013109900000000, 0.0000478900000000 ] - [ 0.0003770000000000, -0.0012397300000000, 0.0015872900000000 ] - [ 0.0028234100000000, -0.0005977900000000, 0.0015961800000000 ] - [ 0.0003054300000000, 0.0004598500000000, 0.0042068500000000 ] - [ -0.0000313600000000, -0.0000076500000000, -0.0004090600000000 ] - [ 0.0001730000000000, 0.0002675900000000, -0.0028257000000000 ] - [ -0.0001854600000000, -0.0006462400000000, -0.0010404800000000 ] - [ -0.0003182400000000, -0.0000160300000000, -0.0028257000000000 ] - [ 0.0006523900000000, -0.0001625000000000, -0.0010404800000000 ] - [ -0.0005509500000000, -0.0000345900000000, 0.0042068500000000 ] - [ 0.0000223000000000, 0.0000233400000000, -0.0004090600000000 ] - [ 0.0000052900000000, -0.0009554200000000, 0.0014508300000000 ] - [ -0.0006200500000000, -0.0008448900000000, -0.0011475700000000 ] - [ 0.0008247700000000, -0.0004822900000000, 0.0014508300000000 ] - [ 0.0010417200000000, 0.0001145400000000, -0.0011475700000000 ] - [ -0.0006487200000000, 0.0011236200000000, 0.0038765300000000 ] - [ -0.0003129400000000, 0.0005420200000000, -0.0013123300000000 ] - [ 0.0565967600000000, -0.0010706600000000, -0.0217249300000000 ] - [ 0.0569105700000000, 0.0012192800000000, -0.0217096300000000 ] - [ -0.0273711600000000, -0.0495495700000000, -0.0217249300000000 ] - [ -0.0295112100000000, -0.0486763600000000, -0.0217096300000000 ] - [ -0.0297053200000000, 0.0514511200000000, 0.0179648800000000 ] - [ -0.0288924000000000, 0.0500431100000000, 0.0100094900000000 ] - [ -0.0421573100000000, -0.0533508200000000, 0.0350354900000000 ] - [ -0.0289848600000000, -0.0502471100000000, 0.0082723000000000 ] - [ -0.0286420600000000, 0.0496095100000000, -0.0139510500000000 ] - [ -0.0294310200000000, 0.0509760200000000, -0.0141506800000000 ] - [ 0.0672818200000000, 0.0098338900000000, 0.0350354900000000 ] - [ 0.0580077000000000, -0.0000219300000000, 0.0082723000000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0652830600000000, -0.0090517100000000, -0.0096419800000000 ] - [ -0.0570020400000000, 0.0000307100000000, -0.0038976800000000 ] - [ 0.0404805400000000, 0.0520109400000000, -0.0096419800000000 ] - [ 0.0284744300000000, 0.0493805700000000, -0.0038976800000000 ] - [ 0.0284540100000000, -0.0492837900000000, 0.0026123600000000 ] - [ 0.0284516700000000, -0.0492797300000000, -0.0021022800000000 ] - [ -0.0009749000000000, 0.0026917100000000, 0.0029689600000000 ] - [ -0.0015962800000000, 0.0011210600000000, -0.0014572400000000 ] - [ 0.0016391100000000, 0.0015035000000000, 0.0006613400000000 ] - [ 0.0017895400000000, 0.0008090400000000, -0.0013438500000000 ] - [ 0.0006610600000000, -0.0008372700000000, -0.0012070000000000 ] - [ -0.0001575000000000, -0.0019398500000000, -0.0015007800000000 ] - [ -0.0022324800000000, -0.0004955600000000, 0.0000596400000000 ] - [ -0.0017591000000000, -0.0015042100000000, 0.0004627600000000 ] - [ -0.0013907200000000, -0.0031494500000000, -0.0002955300000000 ] - [ 0.0003957300000000, -0.0013457800000000, -0.0003042200000000 ] - [ -0.0013762100000000, 0.0018036800000000, 0.0000227000000000 ] - [ -0.0015809200000000, 0.0007688500000000, 0.0000876700000000 ] - [ 0.0015454000000000, 0.0016856000000000, 0.0000596400000000 ] - [ 0.0021822300000000, 0.0007713200000000, 0.0004627600000000 ] - [ 0.0003945700000000, -0.0009911300000000, -0.0012070000000000 ] - [ 0.0017587100000000, -0.0008335300000000, -0.0015007800000000 ] - [ -0.0018436400000000, 0.0021901400000000, 0.0029689600000000 ] - [ -0.0001727200000000, 0.0019429500000000, -0.0014572400000000 ] - [ -0.0008739300000000, 0.0020936800000000, 0.0000227000000000 ] - [ 0.0001246200000000, 0.0017535400000000, 0.0000876700000000 ] - [ -0.0000978100000000, -0.0000500400000000, -0.0018012900000000 ] - [ 0.0000469400000000, -0.0001343000000000, 0.0013662300000000 ] - [ 0.0000922400000000, 0.0000596900000000, -0.0018012900000000 ] - [ 0.0000928400000000, -0.0001078000000000, 0.0013662300000000 ] - [ 0.0279824500000000, -0.0484670300000000, -0.0023939300000000 ] - [ 0.0280044800000000, -0.0485051800000000, 0.0018392000000000 ] - [ 0.0281563200000000, 0.0485724700000000, -0.0042098000000000 ] - [ 0.0192030600000000, 0.0460924700000000, -0.0050277800000000 ] - [ -0.0561431500000000, -0.0000978500000000, -0.0042098000000000 ] - [ -0.0495187800000000, 0.0064158900000000, -0.0050277800000000 ] - [ -0.0021755700000000, 0.0037682000000000, 0.0512977400000000 ] - [ -0.0002709400000000, 0.0004692800000000, -0.0012658000000000 ] - [ 0.0006788300000000, -0.0011644200000000, 0.0001029400000000 ] - [ -0.0012537200000000, 0.0004939900000000, -0.0001343500000000 ] - [ 0.0006690100000000, -0.0011700900000000, 0.0001029400000000 ] - [ 0.0001990500000000, 0.0013327500000000, -0.0001343500000000 ] - [ -0.0005678700000000, 0.0014799200000000, 0.0032015400000000 ] - [ 0.0005569500000000, -0.0000168800000000, -0.0010819600000000 ] - [ -0.0009977200000000, 0.0012317500000000, 0.0032015400000000 ] - [ -0.0002638600000000, -0.0004907700000000, -0.0010819600000000 ] - [ -0.0001434900000000, 0.0002485200000000, -0.0009557500000000 ] - [ -0.0003040700000000, 0.0005266700000000, -0.0007432800000000 ] - [ -0.0021216200000000, -0.0006677600000000, 0.0006613400000000 ] - [ -0.0015954200000000, -0.0011452700000000, -0.0013438500000000 ] - [ 0.0034228600000000, -0.0003703200000000, -0.0002955300000000 ] - [ 0.0009676100000000, -0.0010156000000000, -0.0003042200000000 ] - [ -0.0002580600000000, -0.0004327400000000, -0.0014475700000000 ] - [ 0.0000269900000000, 0.0000038600000000, 0.0030974200000000 ] - [ -0.0001782400000000, -0.0002682300000000, 0.0001336500000000 ] - [ 0.0001776100000000, 0.0006406200000000, -0.0016209200000000 ] - [ 0.0003214100000000, 0.0000202400000000, 0.0001336500000000 ] - [ -0.0006436000000000, 0.0001665000000000, -0.0016209200000000 ] - [ 0.0005037900000000, 0.0000071100000000, -0.0014475700000000 ] - [ -0.0000168300000000, -0.0000214400000000, 0.0030974200000000 ] - [ -0.0009686200000000, -0.0007153500000000, -0.0014927700000000 ] - [ -0.0003495400000000, -0.0008317300000000, 0.0011495100000000 ] - [ 0.0011038200000000, 0.0004811700000000, -0.0014927700000000 ] - [ 0.0008950700000000, -0.0001131600000000, 0.0011495100000000 ] - [ -0.0004044200000000, 0.0007004800000000, -0.0040503400000000 ] - [ -0.0006522500000000, 0.0011297300000000, 0.0013138200000000 ] - [ 0.0583202400000000, 0.0010814600000000, -0.0050993000000000 ] - [ 0.0580016700000000, -0.0012138600000000, -0.0051752300000000 ] - [ -0.0300966900000000, -0.0499660700000000, -0.0050993000000000 ] - [ -0.0279496000000000, -0.0508378500000000, -0.0051752300000000 ] - [ -0.0277403300000000, 0.0480476500000000, 0.0088946500000000 ] - [ -0.0285654800000000, 0.0494768600000000, 0.0168631900000000 ] - [ -0.0160989800000000, -0.0464284900000000, -0.0080115500000000 ] - [ -0.0284709300000000, -0.0492672500000000, 0.0186002700000000 ] - [ -0.0288101300000000, 0.0499006000000000, -0.0129473300000000 ] - [ -0.0280335300000000, 0.0485554900000000, -0.0126898900000000 ] - [ 0.0482577400000000, -0.0092721200000000, -0.0080115500000000 ] - [ 0.0569021500000000, 0.0000229300000000, 0.0186002700000000 ]- atom: 53 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0602426700000000, 0.0030955400000000, 0.0075319000000000 ] - [ -0.0570417100000000, -0.0000341600000000, -0.0012900500000000 ] - [ 0.0206632600000000, 0.0477209400000000, -0.0116659800000000 ] - [ 0.0282460200000000, 0.0493532600000000, 0.0019914000000000 ] - [ 0.0270531400000000, -0.0525316600000000, 0.0040555400000000 ] - [ 0.0283118100000000, -0.0495219800000000, -0.0007012400000000 ] - [ -0.0103598400000000, 0.0084688400000000, -0.0010025500000000 ] - [ -0.0017766300000000, 0.0015944500000000, -0.0006335900000000 ] - [ -0.0010716800000000, -0.0001569000000000, -0.0005593900000000 ] - [ 0.0016822800000000, 0.0008629800000000, -0.0006481700000000 ] - [ 0.0009876500000000, 0.0060734300000000, -0.0003728300000000 ] - [ -0.0001475200000000, -0.0018942700000000, -0.0006535700000000 ] - [ -0.0003702300000000, -0.0014430400000000, 0.0016698400000000 ] - [ -0.0014497200000000, -0.0002670200000000, 0.0009624400000000 ] - [ 0.0002278400000000, -0.0011997100000000, 0.0004898200000000 ] - [ 0.0001627600000000, -0.0013664800000000, 0.0002405400000000 ] - [ -0.0031411900000000, 0.0023765800000000, 0.0003226600000000 ] - [ -0.0022687200000000, 0.0023988800000000, 0.0013501100000000 ] - [ 0.0011178900000000, 0.0000914200000000, 0.0011330300000000 ] - [ 0.0013554800000000, 0.0008344800000000, 0.0003383500000000 ] - [ 0.1813947700000000, 0.0180210000000000, 0.0672141200000000 ] - [ 0.0022692000000000, -0.0007467600000000, -0.0006454400000000 ] - [ 0.0930969400000000, -0.0773065000000000, -0.0461340100000000 ] - [ -0.0000497800000000, 0.0018381700000000, -0.0006510300000000 ] - [ 0.0008888200000000, 0.0021524100000000, 0.0025032100000000 ] - [ 0.0008241900000000, 0.0004757000000000, 0.0010624400000000 ] - [ -0.0001437100000000, 0.0002459700000000, 0.0000024900000000 ] - [ -0.0007097300000000, 0.0011377700000000, -0.0000065400000000 ] - [ 0.0006083700000000, -0.0000090900000000, 0.0000033700000000 ] - [ 0.0227655700000000, 0.0000122500000000, -0.0009798700000000 ] - [ 0.0278232600000000, -0.0487181100000000, 0.0008854800000000 ] - [ 0.0276190600000000, -0.0518920500000000, -0.0043867300000000 ] - [ 0.0276514700000000, 0.0487647500000000, -0.0022340700000000 ] - [ 0.0209293200000000, 0.0464982400000000, 0.0128400500000000 ] - [ -0.0560490300000000, 0.0001680600000000, 0.0013445800000000 ] - [ -0.0587554700000000, 0.0031073400000000, -0.0084359400000000 ] - [ -0.0251919000000000, -0.0061218500000000, -0.0001460800000000 ] - [ -0.0010227300000000, -0.0000342400000000, -0.0004554900000000 ] - [ -0.0005996700000000, 0.0006670300000000, 0.0007464400000000 ] - [ -0.0010928600000000, 0.0001721300000000, -0.0002217400000000 ] - [ 0.0003898200000000, -0.0031373000000000, 0.0002815100000000 ] - [ 0.0002543700000000, -0.0032461800000000, 0.0008907500000000 ] - [ -0.0064050900000000, -0.0212308400000000, -0.0001794000000000 ] - [ 0.0004817000000000, -0.0007678500000000, -0.0004167100000000 ] - [ -0.0034227100000000, 0.0012441900000000, -0.0009561600000000 ] - [ -0.0003587700000000, -0.0003548100000000, -0.0004066800000000 ] - [ -0.0041400700000000, -0.0008343100000000, 0.0002501300000000 ] - [ -0.0041091700000000, -0.0014495400000000, 0.0006038300000000 ] - [ 0.0529902700000000, 0.0512994500000000, -0.0270940800000000 ] - [ -0.0015833800000000, -0.0011400200000000, -0.0006377800000000 ] - [ 0.0028175700000000, -0.0009753100000000, -0.0022241300000000 ] - [ 0.0046585500000000, -0.0003592000000000, -0.0000522900000000 ] - [ -0.4162012300000000, 0.0028014300000000, 0.0065667300000000 ] - [ -0.0003764000000000, 0.0000031900000000, 0.0013436500000000 ] - [ -0.0038877600000000, 0.0000041000000000, -0.0013494600000000 ] - [ 0.0002295400000000, 0.0000019100000000, -0.0013389100000000 ] - [ 0.0008709800000000, -0.0007887100000000, -0.0013506800000000 ] - [ 0.0007293000000000, -0.0013245700000000, -0.0013363200000000 ] - [ 0.0021473900000000, -0.0080655500000000, 0.0013487100000000 ] - [ 0.0001372000000000, -0.0003599400000000, 0.0013442900000000 ] - [ -0.0020413000000000, -0.0134511700000000, 0.0074207900000000 ] - [ -0.0007327900000000, -0.0013548000000000, -0.0000899800000000 ] - [ -0.0069775900000000, 0.0076401700000000, 0.0036759900000000 ] - [ 0.0006227600000000, 0.0002688200000000, -0.0000616000000000 ] - [ 0.0123845800000000, 0.0038785200000000, -0.0112102200000000 ] - [ -0.0000995300000000, 0.0007853600000000, 0.0001505900000000 ] - [ 0.0587903800000000, -0.0007531500000000, -0.0197232900000000 ] - [ 0.0597910800000000, 0.0007848100000000, -0.0057317500000000 ] - [ -0.0250702300000000, -0.0487054700000000, -0.0036404100000000 ] - [ -0.0257130200000000, -0.0468772300000000, -0.0250441200000000 ] - [ -0.0180674300000000, 0.0846245400000000, 0.0155263000000000 ] - [ -0.0284083200000000, 0.0501722400000000, 0.0132467000000000 ] - [ 0.0500632300000000, -0.0262826100000000, 0.0089821100000000 ] - [ -0.0283366300000000, -0.0494572800000000, 0.0137721700000000 ] - [ -0.0278148300000000, 0.0519348200000000, -0.0169130900000000 ] - [ -0.0278875600000000, 0.0521535300000000, -0.0094946800000000 ] - [ 0.0923638100000000, -0.0298682600000000, 0.0157008800000000 ] - [ 0.0577169100000000, 0.0002992300000000, 0.0132830800000000 ]- atom: 53 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0537030500000000, -0.0031035200000000, -0.0075742100000000 ] - [ -0.0569251200000000, 0.0000310700000000, 0.0012917900000000 ] - [ 0.0362752000000000, 0.0509708600000000, 0.0115897900000000 ] - [ 0.0287313200000000, 0.0493458500000000, -0.0019980400000000 ] - [ 0.0299462200000000, -0.0461491800000000, -0.0040942600000000 ] - [ 0.0286757400000000, -0.0491739000000000, 0.0007062700000000 ] - [ 0.0070828100000000, -0.0059828500000000, -0.0002834700000000 ] - [ -0.0015131200000000, 0.0008710800000000, -0.0006568900000000 ] - [ 0.0048428900000000, 0.0017462400000000, -0.0007382500000000 ] - [ 0.0020860600000000, 0.0007536900000000, -0.0006450300000000 ] - [ -0.0014949800000000, -0.0101804500000000, -0.0009167500000000 ] - [ -0.0003430800000000, -0.0021853700000000, -0.0006372100000000 ] - [ -0.0029155300000000, -0.0010247200000000, -0.0003759100000000 ] - [ -0.0018209600000000, -0.0021682000000000, 0.0003602600000000 ] - [ -0.0007215300000000, -0.0028824000000000, 0.0008060100000000 ] - [ -0.0006545800000000, -0.0027172100000000, 0.0010456500000000 ] - [ -0.0001501200000000, 0.0000922700000000, 0.0009756800000000 ] - [ -0.0010211900000000, 0.0000645800000000, -0.0000659600000000 ] - [ 0.0026551300000000, 0.0015208000000000, 0.0001677500000000 ] - [ 0.0024184000000000, 0.0007804600000000, 0.0009528400000000 ] - [ -0.1904903700000000, -0.0219015700000000, -0.0743877200000000 ] - [ 0.0015096000000000, -0.0008697900000000, -0.0006451900000000 ] - [ -0.0917531200000000, 0.0774082200000000, 0.0428185500000000 ] - [ -0.0004346600000000, 0.0022340500000000, -0.0006412200000000 ] - [ -0.0013757400000000, 0.0019237100000000, -0.0012029300000000 ] - [ -0.0012803700000000, 0.0035763000000000, 0.0002579700000000 ] - [ 0.0001472100000000, -0.0002498400000000, 0.0000025700000000 ] - [ 0.0007127400000000, -0.0011492200000000, -0.0000063800000000 ] - [ -0.0006141300000000, 0.0000097100000000, 0.0000033100000000 ] - [ -0.0228269600000000, -0.0000378400000000, -0.0009799700000000 ] - [ 0.0282496900000000, -0.0483931900000000, -0.0008851100000000 ] - [ 0.0284686300000000, -0.0452171000000000, 0.0044073900000000 ] - [ 0.0284167800000000, 0.0483566300000000, 0.0022272800000000 ] - [ 0.0351915800000000, 0.0506516800000000, -0.0128359700000000 ] - [ -0.0560878000000000, -0.0001670200000000, -0.0013464300000000 ] - [ -0.0533834000000000, -0.0030939900000000, 0.0084460000000000 ] - [ 0.0246253300000000, 0.0069994800000000, -0.0007089100000000 ] - [ 0.0005373900000000, 0.0008713900000000, -0.0003966800000000 ] - [ 0.0001186500000000, -0.0015144800000000, 0.0001067400000000 ] - [ 0.0006094400000000, -0.0010085200000000, 0.0010736200000000 ] - [ 0.0005811300000000, 0.0031394700000000, 0.0005695100000000 ] - [ 0.0007114700000000, 0.0032584300000000, -0.0000420900000000 ] - [ 0.0074186600000000, 0.0212769800000000, -0.0006702700000000 ] - [ 0.0004860200000000, 0.0007682300000000, -0.0004355500000000 ] - [ 0.0029481000000000, -0.0021125100000000, 0.0000991300000000 ] - [ -0.0001227900000000, -0.0004818700000000, -0.0004452200000000 ] - [ 0.0036395100000000, 0.0016702800000000, 0.0006002800000000 ] - [ 0.0036259200000000, 0.0022911700000000, 0.0002398600000000 ] - [ -0.0567774100000000, -0.0530847200000000, 0.0254459600000000 ] - [ -0.0017042500000000, -0.0013239400000000, -0.0006518000000000 ] - [ 0.0009684300000000, -0.0006376900000000, 0.0035314900000000 ] - [ -0.0009149500000000, -0.0012608500000000, 0.0013576600000000 ] - [ 0.4278531200000000, 0.0028003200000000, 0.0066696700000000 ] - [ 0.0003713900000000, 0.0000031400000000, 0.0013412700000000 ] - [ 0.0038869400000000, 0.0000040900000000, -0.0013469200000000 ] - [ -0.0002414400000000, 0.0000017600000000, -0.0013359600000000 ] - [ -0.0008619000000000, 0.0007891700000000, -0.0013481700000000 ] - [ -0.0007215400000000, 0.0013316900000000, -0.0013338700000000 ] - [ -0.0021270400000000, 0.0080948100000000, 0.0013462700000000 ] - [ -0.0001285100000000, 0.0003572900000000, 0.0013418300000000 ] - [ 0.0010796500000000, 0.0118366100000000, -0.0074810300000000 ] - [ -0.0002293900000000, -0.0003186600000000, 0.0000889800000000 ] - [ 0.0089223300000000, -0.0076578600000000, -0.0036930300000000 ] - [ 0.0013070000000000, -0.0002663800000000, 0.0000602100000000 ] - [ -0.0132574100000000, -0.0021886800000000, 0.0110617500000000 ] - [ -0.0008696100000000, 0.0008846000000000, -0.0001501200000000 ] - [ 0.0561342000000000, 0.0007602100000000, -0.0071318300000000 ] - [ 0.0551059300000000, -0.0007774200000000, -0.0211223500000000 ] - [ -0.0323883100000000, -0.0508288200000000, -0.0231992900000000 ] - [ -0.0317217900000000, -0.0526533200000000, -0.0017683200000000 ] - [ -0.0394561400000000, 0.0148682700000000, 0.0113529000000000 ] - [ -0.0290512600000000, 0.0493457300000000, 0.0136174000000000 ] - [ -0.1076270800000000, -0.0732893700000000, 0.0177304900000000 ] - [ -0.0291164500000000, -0.0500611900000000, 0.0130996700000000 ] - [ -0.0296521200000000, 0.0475917500000000, -0.0099434900000000 ] - [ -0.0295847700000000, 0.0473374900000000, -0.0173778600000000 ] - [ 0.0225259800000000, 0.0297915700000000, 0.0111224200000000 ] - [ 0.0571973800000000, -0.0002974900000000, 0.0135834100000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0564369500000000, -0.0004644000000000, -0.0010125800000000 ] - [ -0.0581428300000000, 0.0011771300000000, -0.0053694700000000 ] - [ 0.0278162900000000, 0.0491080400000000, -0.0010125800000000 ] - [ 0.0300908400000000, 0.0497646000000000, -0.0053694700000000 ] - [ 0.0286206600000000, -0.0486436300000000, -0.0010125800000000 ] - [ 0.0280519900000000, -0.0509417300000000, -0.0053694700000000 ] - [ -0.0037765000000000, 0.0031471900000000, 0.0018791300000000 ] - [ -0.0015679700000000, 0.0011149800000000, -0.0025677500000000 ] - [ 0.0046138000000000, 0.0016969400000000, 0.0018791300000000 ] - [ 0.0017495900000000, 0.0008004100000000, -0.0025677500000000 ] - [ -0.0008373000000000, -0.0048441400000000, 0.0018791300000000 ] - [ -0.0001816200000000, -0.0019153900000000, -0.0025677500000000 ] - [ -0.0011616700000000, 0.0005448200000000, -0.0026973200000000 ] - [ -0.0068655000000000, -0.0162671600000000, -0.0122856700000000 ] - [ -0.0001090300000000, -0.0020394100000000, -0.0012671000000000 ] - [ -0.0002180900000000, -0.0008090500000000, 0.0013868000000000 ] - [ -0.0017116700000000, 0.0011141300000000, -0.0012671000000000 ] - [ -0.0005916200000000, 0.0005933900000000, 0.0013868000000000 ] - [ 0.0018207000000000, 0.0009252800000000, -0.0012671000000000 ] - [ 0.0008097000000000, 0.0002156600000000, 0.0013868000000000 ] - [ 0.0653180200000000, 0.0079154000000000, 0.0604546600000000 ] - [ 0.0020096800000000, -0.0007293200000000, -0.0030477200000000 ] - [ -0.0395139400000000, 0.0526093700000000, 0.0604546600000000 ] - [ -0.0003732300000000, 0.0021050900000000, -0.0030477200000000 ] - [ 0.0010526700000000, 0.0007336300000000, -0.0026973200000000 ] - [ -0.0106550200000000, 0.0140792800000000, -0.0122856700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0043686700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0068470000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0054137200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.2748560500000000 ] - [ 0.0279922100000000, -0.0483289800000000, -0.0084057400000000 ] - [ 0.0276106200000000, -0.0513582900000000, 0.0161649900000000 ] - [ 0.0278580200000000, 0.0484064600000000, -0.0084057400000000 ] - [ 0.0306722800000000, 0.0495906500000000, 0.0161649900000000 ] - [ -0.0558502300000000, -0.0000774800000000, -0.0084057400000000 ] - [ -0.0582829000000000, 0.0017676500000000, 0.0161649900000000 ] - [ -0.0015932800000000, 0.0000763600000000, 0.0023993300000000 ] - [ -0.0002081500000000, 0.0007853800000000, -0.0021788600000000 ] - [ 0.0000968600000000, 0.0000545200000000, -0.0010545100000000 ] - [ -0.0006051200000000, -0.0012069300000000, 0.0007176900000000 ] - [ -0.0000956500000000, 0.0000566200000000, -0.0010545100000000 ] - [ 0.0013477900000000, 0.0000794100000000, 0.0007176900000000 ] - [ 0.0008627700000000, 0.0013416400000000, 0.0023993300000000 ] - [ 0.0007842400000000, -0.0002124200000000, -0.0021788600000000 ] - [ 0.0007305100000000, -0.0014180000000000, 0.0023993300000000 ] - [ -0.0005760800000000, -0.0005729600000000, -0.0021788600000000 ] - [ -0.0000012100000000, -0.0001111500000000, -0.0010545100000000 ] - [ -0.0007426700000000, 0.0011275100000000, 0.0007176900000000 ] - [ -0.0258040800000000, -0.0605247600000000, 0.0604546600000000 ] - [ -0.0016364500000000, -0.0013757700000000, -0.0030477200000000 ] - [ 0.0001090100000000, -0.0012784500000000, -0.0026973200000000 ] - [ 0.0175205200000000, 0.0021878800000000, -0.0122856700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.5089872900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0069086900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0058830000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0785232000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031274500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0062649200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0082952600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0057821800000000 ] - [ 0.0058900800000000, -0.0087145900000000, 0.0062455900000000 ] - [ -0.0020490800000000, 0.0011112600000000, 0.0042039700000000 ] - [ 0.0046020200000000, 0.0094582500000000, 0.0062455900000000 ] - [ 0.0000621600000000, -0.0023301800000000, 0.0042039700000000 ] - [ -0.0104920900000000, -0.0007436600000000, 0.0062455900000000 ] - [ 0.0019869100000000, 0.0012189300000000, 0.0042039700000000 ] - [ 0.0563929900000000, 0.0013291200000000, -0.0050130200000000 ] - [ 0.0654695100000000, -0.0098233700000000, -0.0185433500000000 ] - [ -0.0270454400000000, -0.0495023200000000, -0.0050130200000000 ] - [ -0.0412420400000000, -0.0517865700000000, -0.0185433500000000 ] - [ -0.0345531200000000, 0.0354384500000000, -0.0035129500000000 ] - [ -0.0280529100000000, 0.0494090200000000, 0.0239713100000000 ] - [ -0.0134140300000000, -0.0476431000000000, -0.0035129500000000 ] - [ -0.0287630100000000, -0.0489990400000000, 0.0239713100000000 ] - [ -0.0293475400000000, 0.0481732000000000, -0.0050130200000000 ] - [ -0.0242274700000000, 0.0616099400000000, -0.0185433500000000 ] - [ 0.0479671500000000, 0.0122046600000000, -0.0035129500000000 ] - [ 0.0568159200000000, -0.0004099700000000, 0.0239713100000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0575416200000000, 0.0004747800000000, 0.0009675500000000 ] - [ -0.0558263400000000, -0.0011767800000000, 0.0053816700000000 ] - [ 0.0291819800000000, 0.0495951200000000, 0.0009675500000000 ] - [ 0.0268940400000000, 0.0489354200000000, 0.0053816700000000 ] - [ 0.0283596400000000, -0.0500699000000000, 0.0009675500000000 ] - [ 0.0289322900000000, -0.0477586300000000, 0.0053816700000000 ] - [ 0.0004764400000000, -0.0006712100000000, -0.0031735100000000 ] - [ -0.0017185700000000, 0.0013454300000000, 0.0012788100000000 ] - [ -0.0008195100000000, -0.0000770000000000, -0.0031735100000000 ] - [ 0.0020244700000000, 0.0008156100000000, 0.0012788100000000 ] - [ 0.0003430700000000, 0.0007482200000000, -0.0031735100000000 ] - [ -0.0003058900000000, -0.0021610400000000, 0.0012788100000000 ] - [ -0.0021332300000000, -0.0030306400000000, 0.0040054300000000 ] - [ 0.0035863000000000, 0.0138244700000000, 0.0135660100000000 ] - [ -0.0003773900000000, -0.0020333700000000, 0.0025529100000000 ] - [ -0.0002688100000000, -0.0032638600000000, -0.0000932500000000 ] - [ -0.0015722500000000, 0.0013435100000000, 0.0025529100000000 ] - [ -0.0026921800000000, 0.0018647300000000, -0.0000932500000000 ] - [ 0.0019496400000000, 0.0006898600000000, 0.0025529100000000 ] - [ 0.0029609900000000, 0.0013991300000000, -0.0000932500000000 ] - [ -0.0627474700000000, -0.0097087100000000, -0.0613525100000000 ] - [ 0.0017681800000000, -0.0008860300000000, 0.0017593900000000 ] - [ 0.0397817200000000, -0.0494865500000000, -0.0613525100000000 ] - [ -0.0001167700000000, 0.0019743000000000, 0.0017593900000000 ] - [ -0.0015580000000000, 0.0033627500000000, 0.0040054300000000 ] - [ 0.0101791900000000, -0.0100180700000000, 0.0135660100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0043655800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0068258600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0054259100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2556749000000000 ] - [ 0.0280768200000000, -0.0487900500000000, 0.0084065800000000 ] - [ 0.0284524700000000, -0.0457845000000000, -0.0161275400000000 ] - [ 0.0282150200000000, 0.0487102700000000, 0.0084065800000000 ] - [ 0.0254243100000000, 0.0475328100000000, -0.0161275400000000 ] - [ -0.0562918400000000, 0.0000797900000000, 0.0084065800000000 ] - [ -0.0538767700000000, -0.0017483100000000, -0.0161275400000000 ] - [ 0.0010829900000000, 0.0007596200000000, -0.0032538100000000 ] - [ -0.0002757000000000, 0.0000510400000000, 0.0013282700000000 ] - [ -0.0005816600000000, -0.0008910100000000, 0.0019018100000000 ] - [ 0.0001225700000000, 0.0003667600000000, 0.0001352000000000 ] - [ 0.0010624700000000, -0.0000582300000000, 0.0019018100000000 ] - [ -0.0003789100000000, -0.0000772300000000, 0.0001352000000000 ] - [ 0.0001163600000000, -0.0013177100000000, -0.0032538100000000 ] - [ 0.0001820500000000, 0.0002132500000000, 0.0013282700000000 ] - [ -0.0011993400000000, 0.0005580900000000, -0.0032538100000000 ] - [ 0.0000936500000000, -0.0002642900000000, 0.0013282700000000 ] - [ -0.0004808000000000, 0.0009492400000000, 0.0019018100000000 ] - [ 0.0002563400000000, -0.0002895300000000, 0.0001352000000000 ] - [ 0.0229657500000000, 0.0591952600000000, -0.0613525100000000 ] - [ -0.0016514100000000, -0.0010882800000000, 0.0017593900000000 ] - [ 0.0036912300000000, -0.0003321100000000, 0.0040054300000000 ] - [ -0.0137655000000000, -0.0038064100000000, 0.0135660100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.4907366900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0042174400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0086180500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0806700300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0058260300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035461400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0109709700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030815700000000 ] - [ -0.0069230800000000, 0.0071282500000000, -0.0062369700000000 ] - [ 0.0010798100000000, -0.0027751200000000, -0.0042011600000000 ] - [ -0.0027117000000000, -0.0095596900000000, -0.0062369700000000 ] - [ 0.0018634200000000, 0.0023227000000000, -0.0042011600000000 ] - [ 0.0096347800000000, 0.0024314400000000, -0.0062369700000000 ] - [ -0.0029432300000000, 0.0004524200000000, -0.0042011600000000 ] - [ 0.0585414300000000, -0.0013523100000000, -0.0218339200000000 ] - [ 0.0494530300000000, 0.0098105700000000, -0.0083328900000000 ] - [ -0.0304418500000000, -0.0500222100000000, -0.0218339200000000 ] - [ -0.0162303100000000, -0.0477328700000000, -0.0083328900000000 ] - [ -0.0229333700000000, 0.0640395700000000, 0.0303887700000000 ] - [ -0.0294030000000000, 0.0501096900000000, 0.0028893500000000 ] - [ -0.0439932100000000, -0.0518806700000000, 0.0303887700000000 ] - [ -0.0286947700000000, -0.0505185900000000, 0.0028893500000000 ] - [ -0.0280995800000000, 0.0513745200000000, -0.0218339200000000 ] - [ -0.0332227200000000, 0.0379223000000000, -0.0083328900000000 ] - [ 0.0669265800000000, -0.0121589000000000, 0.0303887700000000 ] - [ 0.0580977600000000, 0.0004089000000000, 0.0028893500000000 ]- atom: 61 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0543224500000000, 0.0015070200000000, 0.0000000000000000 ] - [ -0.0569197700000000, 0.0001267500000000, 0.0000000000000000 ] - [ 0.0287074900000000, 0.0441250700000000, 0.0000000000000000 ] - [ 0.0287205100000000, 0.0491428300000000, 0.0000000000000000 ] - [ 0.0216179200000000, -0.0538449400000000, 0.0000000000000000 ] - [ 0.0282565200000000, -0.0494658200000000, 0.0000000000000000 ] - [ -0.0000525700000000, -0.0040358200000000, 0.0011973800000000 ] - [ -0.0015748000000000, 0.0009962700000000, -0.0011365700000000 ] - [ -0.0059553400000000, 0.0020653900000000, -0.0009150100000000 ] - [ 0.0009324200000000, 0.0009571800000000, -0.0008831100000000 ] - [ 0.0030971100000000, 0.0039357900000000, 0.0019034200000000 ] - [ -0.0000104700000000, -0.0017527700000000, -0.0010986900000000 ] - [ -0.0028216900000000, -0.0014504700000000, 0.0037663100000000 ] - [ -0.0016096700000000, -0.0011452500000000, 0.0002328000000000 ] - [ 0.0030971100000000, 0.0039357900000000, -0.0019034200000000 ] - [ -0.0000104700000000, -0.0017527700000000, 0.0010986900000000 ] - [ -0.0000525700000000, -0.0040358200000000, -0.0011973800000000 ] - [ -0.0015748000000000, 0.0009962700000000, 0.0011365700000000 ] - [ -0.0059553400000000, 0.0020653900000000, 0.0009150100000000 ] - [ 0.0009324200000000, 0.0009571800000000, 0.0008831100000000 ] - [ 0.0092475900000000, 0.0006606700000000, -0.0007133800000000 ] - [ 0.0025234000000000, -0.0007168700000000, -0.0004723800000000 ] - [ -0.0009103700000000, 0.0056523300000000, -0.0007024500000000 ] - [ -0.0004521800000000, 0.0023433900000000, -0.0003790300000000 ] - [ -0.0009103700000000, 0.0056523300000000, 0.0007024500000000 ] - [ -0.0004521800000000, 0.0023433900000000, 0.0003790300000000 ] - [ -0.0011354400000000, 0.0004779700000000, -0.0035684400000000 ] - [ -0.0011354400000000, 0.0004779700000000, 0.0035684400000000 ] - [ 0.0005573500000000, 0.0012011300000000, 0.0022995900000000 ] - [ 0.0005573500000000, 0.0012011300000000, -0.0022995900000000 ] - [ 0.0270406800000000, -0.0491936800000000, 0.0044567100000000 ] - [ 0.0270406800000000, -0.0491936800000000, -0.0044567100000000 ] - [ 0.0288117300000000, 0.0474715000000000, -0.0024320000000000 ] - [ 0.0288117300000000, 0.0474715000000000, 0.0024320000000000 ] - [ -0.0552788100000000, 0.0004585000000000, -0.0007087400000000 ] - [ -0.0552788100000000, 0.0004585000000000, 0.0007087400000000 ] - [ -0.0009581600000000, -0.0010452400000000, 0.0000597200000000 ] - [ -0.0003535200000000, 0.0002917000000000, -0.0005622900000000 ] - [ 0.0062497200000000, -0.0048345500000000, 0.0005284100000000 ] - [ 0.0003960500000000, -0.0007927800000000, 0.0002575400000000 ] - [ 0.0003029000000000, -0.0072382800000000, 0.0007788700000000 ] - [ 0.0004585900000000, -0.0012983600000000, 0.0003643600000000 ] - [ 0.0003029000000000, -0.0072382800000000, -0.0007788700000000 ] - [ 0.0004585900000000, -0.0012983600000000, -0.0003643600000000 ] - [ 0.0062497200000000, -0.0048345500000000, -0.0005284100000000 ] - [ 0.0003960500000000, -0.0007927800000000, -0.0002575400000000 ] - [ -0.0009581600000000, -0.0010452400000000, -0.0000597200000000 ] - [ -0.0003535200000000, 0.0002917000000000, 0.0005622900000000 ] - [ -0.0028216900000000, -0.0014504700000000, -0.0037663100000000 ] - [ -0.0016096700000000, -0.0011452500000000, -0.0002328000000000 ] - [ 0.0092475900000000, 0.0006606700000000, 0.0007133800000000 ] - [ 0.0025234000000000, -0.0007168700000000, 0.0004723800000000 ] - [ -0.0016019100000000, -0.0113644000000000, 0.0077674300000000 ] - [ -0.0002556900000000, -0.0003162600000000, -0.0002159500000000 ] - [ -0.0016019100000000, -0.0113644000000000, -0.0077674300000000 ] - [ -0.0002556900000000, -0.0003162600000000, 0.0002159500000000 ] - [ 0.0127976800000000, -0.0043220200000000, 0.0086528300000000 ] - [ 0.0003905400000000, -0.0001525800000000, -0.0038090100000000 ] - [ 0.0127976800000000, -0.0043220200000000, -0.0086528300000000 ] - [ 0.0003905400000000, -0.0001525800000000, 0.0038090100000000 ] - [ -0.0475840600000000, 0.0003641800000000, 0.0000000000000000 ] - [ -0.0009303200000000, -0.0008643800000000, 0.0000000000000000 ] - [ 0.0043271800000000, -0.0026045300000000, 0.0000000000000000 ] - [ 0.0010683900000000, -0.0000920100000000, 0.0000000000000000 ] - [ 0.0085751100000000, 0.0001525200000000, 0.0000000000000000 ] - [ -0.0000994800000000, 0.0007658800000000, 0.0000000000000000 ] - [ 0.0470701600000000, -0.0031366500000000, -0.0102253800000000 ] - [ 0.0570417100000000, -0.0000717100000000, -0.0138575900000000 ] - [ -0.0344515600000000, -0.0336399800000000, -0.0058590600000000 ] - [ -0.0293183500000000, -0.0485417800000000, -0.0149612500000000 ] - [ -0.0125730700000000, 0.0630463900000000, 0.0304227900000000 ] - [ -0.0283125400000000, 0.0508349600000000, 0.0107782200000000 ] - [ -0.0344515600000000, -0.0336399800000000, 0.0058590600000000 ] - [ -0.0293183500000000, -0.0485417800000000, 0.0149612500000000 ] - [ -0.0125730700000000, 0.0630463900000000, -0.0304227900000000 ] - [ -0.0283125400000000, 0.0508349600000000, -0.0107782200000000 ] - [ 0.0470701600000000, -0.0031366500000000, 0.0102253800000000 ] - [ 0.0570417100000000, -0.0000717100000000, 0.0138575900000000 ]- atom: 61 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0596594300000000, -0.0014830100000000, 0.0000000000000000 ] - [ -0.0570495000000000, -0.0001271800000000, 0.0000000000000000 ] - [ 0.0282470500000000, 0.0545886500000000, 0.0000000000000000 ] - [ 0.0282620000000000, 0.0495551200000000, 0.0000000000000000 ] - [ 0.0354363300000000, -0.0448560300000000, 0.0000000000000000 ] - [ 0.0287279200000000, -0.0492337100000000, 0.0000000000000000 ] - [ -0.0034736800000000, 0.0064532800000000, -0.0023341200000000 ] - [ -0.0017154300000000, 0.0014688300000000, -0.0001534000000000 ] - [ 0.0097317300000000, -0.0004592500000000, -0.0003991100000000 ] - [ 0.0028345400000000, 0.0006597600000000, -0.0004095100000000 ] - [ -0.0037186200000000, -0.0079785400000000, -0.0031163500000000 ] - [ -0.0004812600000000, -0.0023276800000000, -0.0001917100000000 ] - [ -0.0002658300000000, -0.0010441300000000, -0.0025771000000000 ] - [ -0.0016763300000000, -0.0013156500000000, 0.0010581100000000 ] - [ -0.0037186200000000, -0.0079785400000000, 0.0031163500000000 ] - [ -0.0004812600000000, -0.0023276800000000, 0.0001917100000000 ] - [ -0.0034736800000000, 0.0064532800000000, 0.0023341200000000 ] - [ -0.0017154300000000, 0.0014688300000000, 0.0001534000000000 ] - [ 0.0097317300000000, -0.0004592500000000, 0.0003991100000000 ] - [ 0.0028345400000000, 0.0006597600000000, 0.0004095100000000 ] - [ -0.0054688100000000, -0.0022998400000000, -0.0005538000000000 ] - [ 0.0012552600000000, -0.0009000700000000, -0.0008194400000000 ] - [ 0.0004290800000000, -0.0015628500000000, -0.0005963200000000 ] - [ -0.0000318700000000, 0.0017285400000000, -0.0009156700000000 ] - [ 0.0004290800000000, -0.0015628500000000, 0.0005963200000000 ] - [ -0.0000318700000000, 0.0017285400000000, 0.0009156700000000 ] - [ 0.0011389400000000, -0.0004855100000000, 0.0035822900000000 ] - [ 0.0011389400000000, -0.0004855100000000, -0.0035822900000000 ] - [ -0.0005533300000000, -0.0011919200000000, -0.0022994300000000 ] - [ -0.0005533300000000, -0.0011919200000000, 0.0022994300000000 ] - [ 0.0290323800000000, -0.0479209200000000, -0.0044364500000000 ] - [ 0.0290323800000000, -0.0479209200000000, 0.0044364500000000 ] - [ 0.0272539400000000, 0.0496497900000000, 0.0024303600000000 ] - [ 0.0272539400000000, 0.0496497900000000, -0.0024303600000000 ] - [ -0.0568609700000000, -0.0004558100000000, 0.0006972300000000 ] - [ -0.0568609700000000, -0.0004558100000000, -0.0006972300000000 ] - [ 0.0004748200000000, 0.0018916900000000, -0.0009133400000000 ] - [ -0.0001311600000000, 0.0005458600000000, -0.0002906700000000 ] - [ -0.0066433200000000, 0.0040291900000000, 0.0002814400000000 ] - [ -0.0008750100000000, -0.0000463700000000, 0.0005953700000000 ] - [ 0.0006589900000000, 0.0072132700000000, 0.0000827300000000 ] - [ 0.0005092400000000, 0.0012935400000000, 0.0004870400000000 ] - [ 0.0006589900000000, 0.0072132700000000, -0.0000827300000000 ] - [ 0.0005092400000000, 0.0012935400000000, -0.0004870400000000 ] - [ -0.0066433200000000, 0.0040291900000000, -0.0002814400000000 ] - [ -0.0008750100000000, -0.0000463700000000, -0.0005953700000000 ] - [ 0.0004748200000000, 0.0018916900000000, 0.0009133400000000 ] - [ -0.0001311600000000, 0.0005458600000000, 0.0002906700000000 ] - [ -0.0002658300000000, -0.0010441300000000, 0.0025771000000000 ] - [ -0.0016763300000000, -0.0013156500000000, -0.0010581100000000 ] - [ -0.0054688100000000, -0.0022998400000000, 0.0005538000000000 ] - [ 0.0012552600000000, -0.0009000700000000, 0.0008194400000000 ] - [ 0.0015209300000000, 0.0113106000000000, -0.0050473400000000 ] - [ 0.0002493000000000, 0.0003218500000000, 0.0029107300000000 ] - [ 0.0015209300000000, 0.0113106000000000, 0.0050473400000000 ] - [ 0.0002493000000000, 0.0003218500000000, -0.0029107300000000 ] - [ -0.0128441000000000, 0.0043624500000000, -0.0114719800000000 ] - [ -0.0003789100000000, 0.0001504300000000, 0.0011235900000000 ] - [ -0.0128441000000000, 0.0043624500000000, 0.0114719800000000 ] - [ -0.0003789100000000, 0.0001504300000000, -0.0011235900000000 ] - [ 0.0466525100000000, -0.0020469000000000, 0.0000000000000000 ] - [ -0.0000387700000000, -0.0008138500000000, 0.0000000000000000 ] - [ -0.0023960800000000, 0.0026490700000000, 0.0000000000000000 ] - [ 0.0008676700000000, 0.0000931000000000, 0.0000000000000000 ] - [ -0.0095418900000000, 0.0014771900000000, 0.0000000000000000 ] - [ -0.0008680500000000, 0.0009087200000000, 0.0000000000000000 ] - [ 0.0678844700000000, 0.0030749200000000, -0.0165891200000000 ] - [ 0.0578712000000000, 0.0000733800000000, -0.0130198400000000 ] - [ -0.0229270700000000, -0.0658993200000000, -0.0210234400000000 ] - [ -0.0281376800000000, -0.0509742000000000, -0.0119107100000000 ] - [ -0.0448321900000000, 0.0365934600000000, -0.0033496500000000 ] - [ -0.0291491500000000, 0.0486856200000000, 0.0160822500000000 ] - [ -0.0229270700000000, -0.0658993200000000, 0.0210234400000000 ] - [ -0.0281376800000000, -0.0509742000000000, 0.0119107100000000 ] - [ -0.0448321900000000, 0.0365934600000000, 0.0033496500000000 ] - [ -0.0291491500000000, 0.0486856200000000, -0.0160822500000000 ] - [ 0.0678844700000000, 0.0030749200000000, 0.0165891200000000 ] - [ 0.0578712000000000, 0.0000733800000000, 0.0130198400000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0569864700000000, 0.0000172500000000, 0.0153843100000000 ] - [ -0.0569848800000000, -0.0000001000000000, -0.0054134600000000 ] - [ 0.0284860100000000, 0.0493392200000000, 0.0133691000000000 ] - [ 0.0284920100000000, 0.0493496000000000, -0.0053360100000000 ] - [ 0.0285081800000000, -0.0493431100000000, 0.0153843100000000 ] - [ 0.0284923500000000, -0.0493504000000000, -0.0054134600000000 ] - [ -0.0001356400000000, 0.0046487800000000, 0.0021158400000000 ] - [ -0.0015406800000000, 0.0008019600000000, -0.0021482500000000 ] - [ 0.0038599100000000, -0.0000409900000000, 0.0012006800000000 ] - [ 0.0014705200000000, 0.0008857400000000, -0.0021681900000000 ] - [ 0.0011146600000000, -0.0064194700000000, 0.0010629300000000 ] - [ -0.0000060000000000, -0.0016853400000000, -0.0021475800000000 ] - [ 0.0028871400000000, -0.0002265400000000, 0.0022664400000000 ] - [ -0.0018307900000000, -0.0016145600000000, -0.0008543900000000 ] - [ -0.0016397600000000, 0.0023870700000000, 0.0022664400000000 ] - [ -0.0004828600000000, -0.0023928000000000, -0.0008543900000000 ] - [ -0.0032613500000000, -0.0022354000000000, 0.0032965900000000 ] - [ -0.0017474600000000, 0.0016628700000000, -0.0008555000000000 ] - [ -0.0000888300000000, 0.0016581400000000, 0.0024915900000000 ] - [ 0.0022956600000000, 0.0007310100000000, -0.0008726600000000 ] - [ 0.0040937800000000, 0.0022069200000000, 0.0021158400000000 ] - [ 0.0014648600000000, -0.0009332900000000, -0.0021482500000000 ] - [ -0.0019654500000000, 0.0033222900000000, 0.0012006800000000 ] - [ 0.0000318200000000, 0.0017163800000000, -0.0021681900000000 ] - [ 0.0014804100000000, 0.0007521500000000, 0.0024915900000000 ] - [ -0.0005147500000000, 0.0023536000000000, -0.0008726600000000 ] - [ -0.0009019100000000, 0.0002010400000000, -0.0039708800000000 ] - [ 0.0009131800000000, -0.0002050500000000, -0.0039689900000000 ] - [ 0.0006250600000000, -0.0006805500000000, -0.0039708800000000 ] - [ -0.0006341700000000, 0.0006883100000000, -0.0039689900000000 ] - [ 0.0284409700000000, -0.0477098600000000, -0.0040219700000000 ] - [ 0.0276253300000000, -0.0494048300000000, -0.0040078500000000 ] - [ 0.0272468800000000, 0.0471929700000000, -0.0037413100000000 ] - [ 0.0288295400000000, 0.0499342300000000, -0.0037222500000000 ] - [ -0.0555384400000000, 0.0007756700000000, -0.0040219700000000 ] - [ -0.0565985000000000, -0.0007781800000000, -0.0040078500000000 ] - [ 0.0001443800000000, -0.0003643400000000, 0.0010489400000000 ] - [ -0.0002753600000000, 0.0005177900000000, -0.0015744900000000 ] - [ 0.0014020300000000, 0.0024283900000000, 0.0042928100000000 ] - [ -0.0002859300000000, -0.0004952400000000, -0.0008869400000000 ] - [ 0.0013510300000000, 0.0000474500000000, 0.0018954100000000 ] - [ 0.0003807300000000, -0.0000231300000000, -0.0007214500000000 ] - [ -0.0003877200000000, -0.0000571300000000, 0.0010489400000000 ] - [ 0.0005861000000000, 0.0000204300000000, -0.0015744900000000 ] - [ -0.0018005700000000, -0.0031186800000000, 0.0036350400000000 ] - [ -0.0001984900000000, -0.0003437900000000, -0.0017378200000000 ] - [ -0.0006344200000000, 0.0011937500000000, 0.0018954100000000 ] - [ -0.0002103900000000, 0.0003181600000000, -0.0007214500000000 ] - [ -0.0061167600000000, -0.0022444100000000, 0.0010629300000000 ] - [ -0.0014565500000000, -0.0008478700000000, -0.0021475800000000 ] - [ -0.0003052400000000, -0.0039421100000000, 0.0032965900000000 ] - [ 0.0023138200000000, -0.0006819100000000, -0.0008555000000000 ] - [ 0.0074740100000000, -0.0085898300000000, 0.0075892900000000 ] - [ -0.0000924200000000, 0.0001242100000000, 0.0055468900000000 ] - [ -0.0074278500000000, 0.0085239400000000, 0.0048943000000000 ] - [ 0.0000869800000000, -0.0001199200000000, 0.0028578900000000 ] - [ 0.0110958700000000, -0.0021707300000000, 0.0048943000000000 ] - [ -0.0001473400000000, 0.0000153700000000, 0.0028578900000000 ] - [ -0.0111760200000000, 0.0021777600000000, 0.0075892900000000 ] - [ 0.0001537800000000, -0.0000179300000000, 0.0055468900000000 ] - [ -0.0005140600000000, -0.0008903700000000, -0.0539410900000000 ] - [ -0.0004831700000000, -0.0008368700000000, 0.0024003500000000 ] - [ 0.0009647600000000, 0.0000007000000000, -0.0079331700000000 ] - [ 0.0009647900000000, 0.0000001700000000, 0.0022185700000000 ] - [ -0.0004817700000000, 0.0008358600000000, -0.0079331700000000 ] - [ -0.0004822500000000, 0.0008356200000000, 0.0022185700000000 ] - [ 0.0585055300000000, -0.0173098100000000, -0.0175771400000000 ] - [ 0.0583857800000000, 0.0003054200000000, -0.0061321000000000 ] - [ -0.0211795600000000, -0.0366840800000000, -0.0171879800000000 ] - [ -0.0293203100000000, -0.0507842700000000, -0.0063080900000000 ] - [ -0.0131174600000000, 0.0575351700000000, 0.0092389900000000 ] - [ -0.0285251100000000, 0.0488037400000000, 0.0207419200000000 ] - [ -0.0362956700000000, -0.0628659500000000, 0.0096308800000000 ] - [ -0.0281370900000000, -0.0487348700000000, 0.0205682500000000 ] - [ -0.0442435000000000, 0.0420123700000000, -0.0175771400000000 ] - [ -0.0289283900000000, 0.0507162800000000, -0.0061321000000000 ] - [ 0.0563856500000000, 0.0174075300000000, 0.0092389900000000 ] - [ 0.0565278400000000, -0.0003016000000000, 0.0207419200000000 ]- atom: 67 displacement: [ -0.0050000000017421, 0.0086602540368386, 0.0000000000000000 ] forces: - [ -0.0651348100000000, 0.0149174000000000, 0.0018586300000000 ] - [ -0.0576044100000000, -0.0000851800000000, 0.0032987900000000 ] - [ 0.0269520900000000, 0.0497012200000000, -0.0067265900000000 ] - [ 0.0286254200000000, 0.0494641400000000, 0.0017231300000000 ] - [ 0.0363164400000000, -0.0518756900000000, 0.0210710800000000 ] - [ 0.0280752100000000, -0.0495886200000000, -0.0025196600000000 ] - [ -0.0031767700000000, -0.0004591500000000, -0.0006030000000000 ] - [ -0.0010431700000000, -0.0001960900000000, -0.0011641200000000 ] - [ 0.0047033000000000, -0.0004873200000000, -0.0001693300000000 ] - [ 0.0033484400000000, 0.0005665400000000, -0.0027615700000000 ] - [ -0.0010995100000000, -0.0009534300000000, 0.0006366500000000 ] - [ 0.0009289200000000, 0.0000560100000000, -0.0004871200000000 ] - [ 0.0038429300000000, -0.0423508800000000, 0.0011181000000000 ] - [ -0.0018605300000000, -0.0019257000000000, 0.0007570100000000 ] - [ 0.0006088400000000, 0.0200715400000000, -0.0019741600000000 ] - [ -0.0001311900000000, -0.0018836700000000, 0.0010018000000000 ] - [ -0.0026868300000000, -0.0108896800000000, 0.0004480800000000 ] - [ -0.0015461400000000, 0.0009555900000000, 0.0008573600000000 ] - [ 0.0110562100000000, -0.0051567400000000, 0.0034420300000000 ] - [ 0.0022866700000000, 0.0007192500000000, 0.0008216600000000 ] - [ 0.0022439900000000, -0.0026465500000000, -0.0010981800000000 ] - [ 0.0037757900000000, -0.0007114500000000, 0.0019674700000000 ] - [ -0.0015262800000000, 0.0035161400000000, -0.0047251500000000 ] - [ -0.0006661100000000, 0.0023506000000000, 0.0026423600000000 ] - [ -0.0316167100000000, 0.0365381100000000, 0.0072633900000000 ] - [ -0.0001800600000000, 0.0019297500000000, 0.0009663500000000 ] - [ -0.0008029200000000, -0.0021374600000000, -0.0058213800000000 ] - [ 0.0002390700000000, -0.0001938700000000, 0.0008522800000000 ] - [ 0.0059542000000000, -0.0095168100000000, 0.0167458000000000 ] - [ 0.0000524600000000, -0.0005782800000000, -0.0004198000000000 ] - [ 0.0335504000000000, -0.0516249400000000, -0.0221418200000000 ] - [ 0.0283290300000000, -0.0491066700000000, 0.0035929300000000 ] - [ 0.0271074000000000, 0.0484779900000000, 0.0052528900000000 ] - [ 0.0280490800000000, 0.0484843400000000, -0.0002857000000000 ] - [ -0.0680956900000000, 0.0117537500000000, -0.0048651600000000 ] - [ -0.0567560500000000, 0.0000239900000000, 0.0018460100000000 ] - [ 0.0006303700000000, 0.0024240600000000, -0.0009221700000000 ] - [ -0.0017554900000000, 0.0004965800000000, 0.0008937200000000 ] - [ -0.0312173900000000, 0.0727269100000000, 0.0131970300000000 ] - [ -0.0013128500000000, 0.0001648300000000, 0.0006806000000000 ] - [ 0.0064186500000000, 0.0260165600000000, 0.0014048800000000 ] - [ 0.0005532600000000, 0.0009688700000000, 0.0005875700000000 ] - [ 0.0015029100000000, 0.0031982000000000, -0.0003442300000000 ] - [ 0.0006805500000000, 0.0043125000000000, -0.0011206900000000 ] - [ -0.0032101500000000, 0.0024129700000000, 0.0009506900000000 ] - [ -0.0069834200000000, 0.0043548000000000, -0.0012141200000000 ] - [ -0.0049300400000000, 0.0295723100000000, -0.0030812300000000 ] - [ -0.0000873600000000, 0.0005959400000000, 0.0007191200000000 ] - [ -0.0008445000000000, -0.0050346800000000, -0.0003030000000000 ] - [ -0.0030665300000000, -0.0057702800000000, 0.0005570600000000 ] - [ 0.0201803200000000, -0.0086688200000000, -0.0011888800000000 ] - [ 0.0018185900000000, -0.0008659000000000, 0.0008220000000000 ] - [ -0.0013196200000000, 0.0034611300000000, 0.0030328400000000 ] - [ -0.0004922900000000, 0.0031767100000000, -0.0112570200000000 ] - [ -0.0435776000000000, 0.0663080000000000, -0.0166487500000000 ] - [ 0.0001247100000000, 0.0005287700000000, -0.0012898500000000 ] - [ 0.0083876400000000, 0.0172169400000000, 0.0044613400000000 ] - [ -0.0003859200000000, 0.0001462600000000, -0.0019987500000000 ] - [ -0.0000016700000000, 0.0010612600000000, 0.0007053400000000 ] - [ -0.0018390600000000, -0.0000812600000000, 0.0058205300000000 ] - [ 0.0020002100000000, 0.0191562900000000, -0.0154578800000000 ] - [ -0.0003426700000000, -0.0002721900000000, -0.0002030300000000 ] - [ -0.0101281900000000, -0.0130871800000000, 0.0075827900000000 ] - [ 0.0002143800000000, -0.0011215800000000, -0.0005917500000000 ] - [ 0.0074577000000000, 0.0188720500000000, 0.0145698000000000 ] - [ -0.0002133000000000, 0.0019995600000000, -0.0007274100000000 ] - [ 0.1999561400000000, -0.2546098700000000, -0.0101339400000000 ] - [ 0.0577091700000000, 0.0000009600000000, -0.0160433800000000 ] - [ -0.0050041300000000, -0.0581214600000000, -0.0117102900000000 ] - [ -0.0287226500000000, -0.0501191800000000, -0.0144918600000000 ] - [ -0.0307885800000000, 0.0509393900000000, -0.0017135000000000 ] - [ -0.0249560400000000, 0.0478454600000000, 0.0308771200000000 ] - [ -0.0287352200000000, -0.0504688200000000, 0.0176699600000000 ] - [ -0.0289732700000000, -0.0522487300000000, 0.0089485600000000 ] - [ -0.1306173800000000, 0.0811923600000000, -0.0210582600000000 ] - [ -0.0282275100000000, 0.0494624700000000, -0.0144781200000000 ] - [ 0.0621264300000000, -0.0075498800000000, 0.0115069200000000 ] - [ 0.0658530800000000, -0.0077505000000000, -0.0014108300000000 ]- atom: 67 displacement: [ 0.0050000000017421, -0.0086602540368386, 0.0000000000000000 ] forces: - [ -0.0486932100000000, -0.0150688400000000, -0.0029236700000000 ] - [ -0.0563042500000000, 0.0000619700000000, -0.0033387900000000 ] - [ 0.0300490800000000, 0.0490002700000000, 0.0067489300000000 ] - [ 0.0283622300000000, 0.0492322900000000, -0.0017285400000000 ] - [ 0.0206072700000000, -0.0468157100000000, -0.0210876000000000 ] - [ 0.0289039400000000, -0.0491114400000000, 0.0025108100000000 ] - [ -0.0001151500000000, 0.0029280900000000, -0.0006642100000000 ] - [ -0.0022494900000000, 0.0026600900000000, -0.0000903500000000 ] - [ -0.0009261200000000, 0.0021036500000000, -0.0010961400000000 ] - [ 0.0004245000000000, 0.0010512700000000, 0.0015038700000000 ] - [ 0.0005948300000000, -0.0031525700000000, -0.0018804400000000 ] - [ -0.0014365600000000, -0.0041497600000000, -0.0007842200000000 ] - [ -0.0071678800000000, 0.0397794900000000, 0.0001200500000000 ] - [ -0.0014335000000000, -0.0005418800000000, 0.0004975800000000 ] - [ -0.0009024700000000, -0.0237711600000000, 0.0032416000000000 ] - [ -0.0003571800000000, -0.0021983100000000, 0.0002488900000000 ] - [ -0.0006123700000000, 0.0133385800000000, 0.0008211600000000 ] - [ -0.0017494100000000, 0.0015104400000000, 0.0003964000000000 ] - [ -0.0072459800000000, 0.0067314300000000, -0.0021609100000000 ] - [ 0.0014926800000000, 0.0009016500000000, 0.0004350200000000 ] - [ 0.0015463500000000, 0.0010358600000000, -0.0001680700000000 ] - [ 0.0000345000000000, -0.0009020100000000, -0.0032017000000000 ] - [ 0.0010068500000000, 0.0006011400000000, 0.0034689700000000 ] - [ 0.0001536500000000, 0.0017558400000000, -0.0038937300000000 ] - [ 0.0271408200000000, -0.0285222200000000, -0.0050704300000000 ] - [ -0.0003016500000000, 0.0021457300000000, 0.0002885500000000 ] - [ 0.0008000000000000, 0.0021159700000000, 0.0058107700000000 ] - [ -0.0002357300000000, 0.0001882200000000, -0.0008561900000000 ] - [ -0.0059093000000000, 0.0094737000000000, -0.0165770600000000 ] - [ -0.0000590900000000, 0.0005826100000000, 0.0004161400000000 ] - [ 0.0224500200000000, -0.0454876300000000, 0.0221370100000000 ] - [ 0.0277392000000000, -0.0480038400000000, -0.0035922500000000 ] - [ 0.0289820000000000, 0.0486528100000000, -0.0052684500000000 ] - [ 0.0280247200000000, 0.0486354600000000, 0.0002800200000000 ] - [ -0.0435130500000000, -0.0120028700000000, 0.0058512300000000 ] - [ -0.0553319100000000, -0.0000302200000000, -0.0018985600000000 ] - [ -0.0010941000000000, -0.0015684600000000, 0.0000803100000000 ] - [ 0.0013194500000000, 0.0003641500000000, -0.0017585900000000 ] - [ 0.0374090900000000, -0.0802239700000000, -0.0128742000000000 ] - [ 0.0008301400000000, -0.0009965800000000, 0.0001660900000000 ] - [ -0.0054497300000000, -0.0260591600000000, -0.0005604500000000 ] - [ 0.0004089300000000, -0.0009697800000000, 0.0002605200000000 ] - [ -0.0005362100000000, -0.0032023100000000, -0.0005120100000000 ] - [ 0.0002859500000000, -0.0043188000000000, 0.0002769900000000 ] - [ 0.0027774400000000, -0.0032830500000000, -0.0017742500000000 ] - [ 0.0065837300000000, -0.0052325700000000, 0.0003482700000000 ] - [ 0.0043617700000000, -0.0290899500000000, 0.0039520600000000 ] - [ -0.0003945600000000, 0.0002357600000000, 0.0001271500000000 ] - [ -0.0024515600000000, 0.0025658600000000, -0.0009697100000000 ] - [ -0.0002343000000000, 0.0032852000000000, -0.0017865700000000 ] - [ -0.0162857900000000, 0.0070534600000000, 0.0024285800000000 ] - [ 0.0019678300000000, -0.0007554600000000, 0.0004321100000000 ] - [ 0.0013189300000000, -0.0034654600000000, -0.0003643700000000 ] - [ 0.0004970100000000, -0.0031903000000000, 0.0137537100000000 ] - [ 0.0430091600000000, -0.0657892000000000, 0.0139322500000000 ] - [ -0.0001323400000000, -0.0005203200000000, -0.0013575500000000 ] - [ -0.0083585200000000, -0.0171502800000000, -0.0071573500000000 ] - [ 0.0003908700000000, -0.0001477900000000, -0.0006481600000000 ] - [ 0.0000159300000000, -0.0010498800000000, 0.0019528600000000 ] - [ 0.0018566400000000, 0.0000924000000000, -0.0031751400000000 ] - [ -0.0030271200000000, -0.0209956900000000, 0.0156679000000000 ] - [ -0.0006322200000000, -0.0014037600000000, 0.0001997100000000 ] - [ 0.0120456700000000, 0.0130228900000000, -0.0075324700000000 ] - [ 0.0017295800000000, 0.0011167400000000, 0.0005908100000000 ] - [ -0.0083283900000000, -0.0170911700000000, -0.0144357200000000 ] - [ -0.0007525100000000, -0.0003212400000000, 0.0007266100000000 ] - [ -0.0884170100000000, 0.2576437200000000, -0.0173582300000000 ] - [ 0.0571491900000000, 0.0000047500000000, -0.0107780500000000 ] - [ -0.0526535400000000, -0.0414206700000000, -0.0151718500000000 ] - [ -0.0287239100000000, -0.0493779200000000, -0.0123630300000000 ] - [ -0.0266923200000000, 0.0485755100000000, 0.0286211500000000 ] - [ -0.0325011500000000, 0.0516842200000000, -0.0040668600000000 ] - [ -0.0287364100000000, -0.0490403600000000, 0.0091968100000000 ] - [ -0.0285252700000000, -0.0472543300000000, 0.0179159600000000 ] - [ 0.0737641400000000, 0.0182152600000000, -0.0057861500000000 ] - [ -0.0292138300000000, 0.0500335200000000, -0.0123793200000000 ] - [ 0.0527346700000000, 0.0075295000000000, 0.0151372500000000 ] - [ 0.0489163300000000, 0.0077674100000000, 0.0285472100000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0495503800000000, 0.0000000000000000, 0.0511559400000000 ] - [ -0.0556814400000000, 0.0000000000000000, -0.0417738500000000 ] - [ 0.0275188800000000, 0.0488033800000000, 0.0136313800000000 ] - [ 0.0299904400000000, 0.0496414900000000, -0.0134985200000000 ] - [ 0.0275188800000000, -0.0488033800000000, 0.0136313800000000 ] - [ 0.0299904400000000, -0.0496414900000000, -0.0134985200000000 ] - [ -0.0020392500000000, 0.0035880100000000, -0.0014617400000000 ] - [ -0.0012153800000000, -0.0005539100000000, -0.0008327600000000 ] - [ 0.0038907300000000, 0.0015940700000000, -0.0015282400000000 ] - [ 0.0004813000000000, -0.0002720200000000, -0.0010591000000000 ] - [ 0.0113363600000000, 0.0099793000000000, -0.0096399100000000 ] - [ -0.0084641900000000, -0.0119082800000000, -0.0099686600000000 ] - [ -0.0004297800000000, -0.0048424500000000, 0.0059225500000000 ] - [ -0.0019432500000000, -0.0015771000000000, -0.0035582100000000 ] - [ -0.0074985900000000, -0.0093506300000000, 0.0214473200000000 ] - [ -0.0009504400000000, -0.0027506200000000, -0.0055896200000000 ] - [ -0.0004297800000000, 0.0048424500000000, 0.0059225500000000 ] - [ -0.0019432500000000, 0.0015771000000000, -0.0035582100000000 ] - [ 0.0049213000000000, 0.0010101000000000, 0.0063166000000000 ] - [ 0.0024729600000000, 0.0007348400000000, -0.0038420900000000 ] - [ 0.0038907300000000, -0.0015940700000000, -0.0015282400000000 ] - [ 0.0004813000000000, 0.0002720200000000, -0.0010591000000000 ] - [ 0.0113363600000000, -0.0099793000000000, -0.0096399100000000 ] - [ -0.0084641900000000, 0.0119082800000000, -0.0099686600000000 ] - [ -0.0074985900000000, 0.0093506300000000, 0.0214473200000000 ] - [ -0.0009504400000000, 0.0027506200000000, -0.0055896200000000 ] - [ -0.0015607800000000, -0.0016722800000000, 0.0124762700000000 ] - [ 0.0011133900000000, 0.0014092500000000, -0.0107403500000000 ] - [ -0.0015607800000000, 0.0016722800000000, 0.0124762700000000 ] - [ 0.0011133900000000, -0.0014092500000000, -0.0107403500000000 ] - [ 0.0290148400000000, -0.0485890000000000, 0.0147997000000000 ] - [ 0.0273787200000000, -0.0488488100000000, -0.0160657300000000 ] - [ 0.0290148400000000, 0.0485890000000000, 0.0147997000000000 ] - [ 0.0273787200000000, 0.0488488100000000, -0.0160657300000000 ] - [ -0.0164359400000000, 0.0000000000000000, 0.0773434100000000 ] - [ -0.0546917400000000, 0.0000000000000000, -0.0432277900000000 ] - [ -0.0194886900000000, -0.0123263700000000, -0.0087685600000000 ] - [ 0.0219708300000000, 0.0145235700000000, -0.0086609300000000 ] - [ 0.0021954400000000, -0.0015381800000000, 0.0219604100000000 ] - [ -0.0001799300000000, -0.0000349600000000, -0.0047444000000000 ] - [ 0.0026500200000000, 0.0000000000000000, 0.0049648700000000 ] - [ -0.0000624000000000, 0.0000000000000000, -0.0030047500000000 ] - [ -0.0008612000000000, 0.0000000000000000, -0.0009251500000000 ] - [ 0.0025201900000000, 0.0000000000000000, -0.0011534300000000 ] - [ -0.0194886900000000, 0.0123263700000000, -0.0087685600000000 ] - [ 0.0219708300000000, -0.0145235700000000, -0.0086609300000000 ] - [ 0.0021954400000000, 0.0015381800000000, 0.0219604100000000 ] - [ -0.0001799300000000, 0.0000349600000000, -0.0047444000000000 ] - [ -0.0020392500000000, -0.0035880100000000, -0.0014617400000000 ] - [ -0.0012153800000000, 0.0005539100000000, -0.0008327600000000 ] - [ 0.0049213000000000, -0.0010101000000000, 0.0063166000000000 ] - [ 0.0024729600000000, -0.0007348400000000, -0.0038420900000000 ] - [ -0.0063134500000000, 0.0076792700000000, 0.0097445800000000 ] - [ 0.0076853600000000, -0.0089821400000000, -0.0038042100000000 ] - [ -0.0022994200000000, 0.0037527300000000, -0.0183210800000000 ] - [ 0.0001509700000000, -0.0002998800000000, 0.0092302700000000 ] - [ -0.0022994200000000, -0.0037527300000000, -0.0183210800000000 ] - [ 0.0001509700000000, 0.0002998800000000, 0.0092302700000000 ] - [ -0.0063134500000000, -0.0076792700000000, 0.0097445800000000 ] - [ 0.0076853600000000, 0.0089821400000000, -0.0038042100000000 ] - [ 0.0027139200000000, -0.0185780200000000, -0.0041763400000000 ] - [ -0.0009045100000000, 0.0019791100000000, 0.0073037800000000 ] - [ -0.0142615500000000, 0.0000000000000000, -0.0037778000000000 ] - [ 0.0040210500000000, 0.0000000000000000, 0.0071296700000000 ] - [ 0.0027139200000000, 0.0185780200000000, -0.0041763400000000 ] - [ -0.0009045100000000, -0.0019791100000000, 0.0073037800000000 ] - [ 0.0512639500000000, 0.0000000000000000, -0.3423965200000000 ] - [ 0.0627146200000000, 0.0000000000000000, 0.0330632200000000 ] - [ -0.0365010200000000, -0.0522276500000000, -0.0411979000000000 ] - [ -0.0297741500000000, -0.0515854700000000, 0.0088927800000000 ] - [ -0.0135354100000000, 0.0458784000000000, 0.0172783400000000 ] - [ -0.0461924600000000, 0.0546545900000000, 0.0142382000000000 ] - [ -0.0135354100000000, -0.0458784000000000, 0.0172783400000000 ] - [ -0.0461924600000000, -0.0546545900000000, 0.0142382000000000 ] - [ -0.0365010200000000, 0.0522276500000000, -0.0411979000000000 ] - [ -0.0297741500000000, 0.0515854700000000, 0.0088927800000000 ] - [ 0.0537995800000000, 0.0000000000000000, 0.1310903500000000 ] - [ 0.0274857200000000, 0.0000000000000000, 0.1399441600000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0638424800000000, 0.0000000000000000, -0.0430004700000000 ] - [ -0.0582909500000000, 0.0000000000000000, 0.0416901200000000 ] - [ 0.0294897400000000, 0.0499012200000000, -0.0135279500000000 ] - [ 0.0269861300000000, 0.0490550100000000, 0.0134716500000000 ] - [ 0.0294897400000000, -0.0499012200000000, -0.0135279500000000 ] - [ 0.0269861300000000, -0.0490550100000000, 0.0134716500000000 ] - [ -0.0012544400000000, -0.0011071800000000, 0.0001900600000000 ] - [ -0.0020765000000000, 0.0030277200000000, -0.0004349200000000 ] - [ -0.0000870900000000, 0.0000244100000000, 0.0002573500000000 ] - [ 0.0033088000000000, 0.0018885700000000, -0.0002160600000000 ] - [ -0.0117916200000000, -0.0140248800000000, 0.0082943000000000 ] - [ 0.0079512900000000, 0.0078016600000000, 0.0087264800000000 ] - [ -0.0028659400000000, 0.0023152700000000, -0.0046311800000000 ] - [ -0.0013486000000000, -0.0008915100000000, 0.0048237000000000 ] - [ 0.0076089800000000, 0.0059422900000000, -0.0202871500000000 ] - [ 0.0004533800000000, -0.0013386200000000, 0.0068561900000000 ] - [ -0.0028659400000000, -0.0023152700000000, -0.0046311800000000 ] - [ -0.0013486000000000, 0.0008915100000000, 0.0048237000000000 ] - [ -0.0011008900000000, 0.0006057800000000, -0.0050188600000000 ] - [ 0.0013110700000000, 0.0008812800000000, 0.0051090500000000 ] - [ -0.0000870900000000, -0.0000244100000000, 0.0002573500000000 ] - [ 0.0033088000000000, -0.0018885700000000, -0.0002160600000000 ] - [ -0.0117916200000000, 0.0140248800000000, 0.0082943000000000 ] - [ 0.0079512900000000, -0.0078016600000000, 0.0087264800000000 ] - [ 0.0076089800000000, -0.0059422900000000, -0.0202871500000000 ] - [ 0.0004533800000000, 0.0013386200000000, 0.0068561900000000 ] - [ 0.0015664800000000, 0.0016756300000000, -0.0124841800000000 ] - [ -0.0011085900000000, -0.0014071100000000, 0.0107165400000000 ] - [ 0.0015664800000000, -0.0016756300000000, -0.0124841800000000 ] - [ -0.0011085900000000, 0.0014071100000000, 0.0107165400000000 ] - [ 0.0270736800000000, -0.0485356400000000, -0.0148433500000000 ] - [ 0.0286859800000000, -0.0482684300000000, 0.0160551400000000 ] - [ 0.0270736800000000, 0.0485356400000000, -0.0148433500000000 ] - [ 0.0286859800000000, 0.0482684300000000, 0.0160551400000000 ] - [ -0.0979836100000000, 0.0000000000000000, -0.0876392600000000 ] - [ -0.0574555300000000, 0.0000000000000000, 0.0432284100000000 ] - [ 0.0189866700000000, 0.0131535000000000, 0.0078531000000000 ] - [ -0.0224123100000000, -0.0136518400000000, 0.0078704700000000 ] - [ -0.0033327500000000, 0.0013382600000000, -0.0210895300000000 ] - [ -0.0002953200000000, -0.0008115500000000, 0.0055856100000000 ] - [ -0.0016423100000000, 0.0000000000000000, -0.0041047100000000 ] - [ 0.0010300400000000, 0.0000000000000000, 0.0038504700000000 ] - [ 0.0018255300000000, 0.0000000000000000, 0.0000756800000000 ] - [ -0.0015529800000000, 0.0000000000000000, 0.0003034800000000 ] - [ 0.0189866700000000, -0.0131535000000000, 0.0078531000000000 ] - [ -0.0224123100000000, 0.0136518400000000, 0.0078704700000000 ] - [ -0.0033327500000000, -0.0013382600000000, -0.0210895300000000 ] - [ -0.0002953200000000, 0.0008115500000000, 0.0055856100000000 ] - [ -0.0012544400000000, 0.0011071800000000, 0.0001900600000000 ] - [ -0.0020765000000000, -0.0030277200000000, -0.0004349200000000 ] - [ -0.0011008900000000, -0.0006057800000000, -0.0050188600000000 ] - [ 0.0013110700000000, -0.0008812800000000, 0.0051090500000000 ] - [ 0.0062781900000000, -0.0076379100000000, -0.0070538500000000 ] - [ -0.0077055300000000, 0.0090077100000000, 0.0064299000000000 ] - [ 0.0022762900000000, -0.0037071000000000, 0.0155562600000000 ] - [ -0.0001503000000000, 0.0003024300000000, -0.0118740600000000 ] - [ 0.0022762900000000, 0.0037071000000000, 0.0155562600000000 ] - [ -0.0001503000000000, -0.0003024300000000, -0.0118740600000000 ] - [ 0.0062781900000000, 0.0076379100000000, -0.0070538500000000 ] - [ -0.0077055300000000, -0.0090077100000000, 0.0064299000000000 ] - [ -0.0036453600000000, 0.0167497400000000, 0.0041613100000000 ] - [ -0.0000633300000000, -0.0036556900000000, -0.0073055200000000 ] - [ 0.0160570600000000, 0.0000000000000000, 0.0037794300000000 ] - [ -0.0020877700000000, 0.0000000000000000, -0.0071301500000000 ] - [ -0.0036453600000000, -0.0167497400000000, 0.0041613100000000 ] - [ -0.0000633300000000, 0.0036556900000000, -0.0073055200000000 ] - [ 0.0658747900000000, 0.0000000000000000, 0.3180299100000000 ] - [ 0.0521961500000000, 0.0000000000000000, -0.0598644300000000 ] - [ -0.0212380700000000, -0.0474205400000000, 0.0142682000000000 ] - [ -0.0276810000000000, -0.0479265100000000, -0.0357281300000000 ] - [ -0.0438761000000000, 0.0536200600000000, 0.0095521300000000 ] - [ -0.0112543500000000, 0.0448464000000000, 0.0126680900000000 ] - [ -0.0438761000000000, -0.0536200600000000, 0.0095521300000000 ] - [ -0.0112543500000000, -0.0448464000000000, 0.0126680900000000 ] - [ -0.0212380700000000, 0.0474205400000000, 0.0142682000000000 ] - [ -0.0276810000000000, 0.0479265100000000, -0.0357281300000000 ] - [ 0.0610742200000000, 0.0000000000000000, -0.1035013500000000 ] - [ 0.0874207100000000, 0.0000000000000000, -0.1136187200000000 ]