# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/7731fdae-a546-4b8f-82dd-f77e3007d22d/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 BaZrF6 / Cmme (67) / materials id 8232](https://mdr.nims.go.jp/datasets/cbb7eeaf-87d5-47b0-b07b-c0b08584c8cc) ## 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: "Cmme" number: 67 Hall_symbol: "-C 2b 2"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 5.708248210000000, -3.804943540000000, 0.000000000000000 ] # a - [ 5.708248210000000, 3.804943540000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.491754300000000 ] # c points: - symbol: F # 1 coordinates: [ 0.319347370000000, 0.433107690000000, 0.750296160000000 ] mass: 18.998403 - symbol: F # 2 coordinates: [ 0.180652630000000, 0.066892310000000, 0.750296160000000 ] mass: 18.998403 - symbol: F # 3 coordinates: [ 0.066892310000000, 0.180652630000000, 0.249703840000000 ] mass: 18.998403 - symbol: F # 4 coordinates: [ 0.433107690000000, 0.319347370000000, 0.249703840000000 ] mass: 18.998403 - symbol: F # 5 coordinates: [ 0.932316520000000, 0.432316520000000, 0.845874900000000 ] mass: 18.998403 - symbol: F # 6 coordinates: [ 0.567683480000000, 0.067683480000000, 0.845874900000000 ] mass: 18.998403 - symbol: F # 7 coordinates: [ 0.067683480000000, 0.567683480000000, 0.154125100000000 ] mass: 18.998403 - symbol: F # 8 coordinates: [ 0.432316520000000, 0.932316520000000, 0.154125100000000 ] mass: 18.998403 - symbol: F # 9 coordinates: [ 0.566892310000000, 0.680652630000000, 0.750296160000000 ] mass: 18.998403 - symbol: F # 10 coordinates: [ 0.933107690000000, 0.819347370000000, 0.750296160000000 ] mass: 18.998403 - symbol: F # 11 coordinates: [ 0.819347370000000, 0.933107690000000, 0.249703840000000 ] mass: 18.998403 - symbol: F # 12 coordinates: [ 0.680652630000000, 0.566892310000000, 0.249703840000000 ] mass: 18.998403 - symbol: Zr # 13 coordinates: [ 0.750000000000000, 0.750000000000000, 0.000000000000000 ] mass: 91.224000 - symbol: Zr # 14 coordinates: [ 0.250000000000000, 0.250000000000000, 0.000000000000000 ] mass: 91.224000 - symbol: Ba # 15 coordinates: [ 0.250000000000000, 0.750000000000000, 0.440414040000000 ] mass: 137.327000 - symbol: Ba # 16 coordinates: [ 0.750000000000000, 0.250000000000000, 0.559585960000000 ] mass: 137.327000 reciprocal_lattice: # without 2pi - [ 0.087592547066204, -0.131407994558574, 0.000000000000000 ] # a* - [ 0.087592547066204, 0.131407994558574, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.182091176220320 ] # c*unit_cell: lattice: - [ 11.416496420000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 7.609887080000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.491754300000000 ] # c points: - symbol: F # 1 coordinates: [ 0.376227530000000, 0.056880160000000, 0.750296160000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 2 coordinates: [ 0.123772470000000, 0.943119840000000, 0.750296160000000 ] mass: 18.998403 reduced_to: 2 - symbol: F # 3 coordinates: [ 0.123772470000000, 0.056880160000000, 0.249703840000000 ] mass: 18.998403 reduced_to: 3 - symbol: F # 4 coordinates: [ 0.376227530000000, 0.943119840000000, 0.249703840000000 ] mass: 18.998403 reduced_to: 4 - symbol: F # 5 coordinates: [ 0.182316520000000, 0.250000000000000, 0.845874900000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 6 coordinates: [ 0.817683480000000, 0.250000000000000, 0.845874900000000 ] mass: 18.998403 reduced_to: 6 - symbol: F # 7 coordinates: [ 0.317683480000000, 0.250000000000000, 0.154125100000000 ] mass: 18.998403 reduced_to: 7 - symbol: F # 8 coordinates: [ 0.682316520000000, 0.250000000000000, 0.154125100000000 ] mass: 18.998403 reduced_to: 8 - symbol: F # 9 coordinates: [ 0.123772470000000, 0.556880160000000, 0.750296160000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 10 coordinates: [ 0.376227530000000, 0.443119840000000, 0.750296160000000 ] mass: 18.998403 reduced_to: 10 - symbol: F # 11 coordinates: [ 0.376227530000000, 0.556880160000000, 0.249703840000000 ] mass: 18.998403 reduced_to: 11 - symbol: F # 12 coordinates: [ 0.123772470000000, 0.443119840000000, 0.249703840000000 ] mass: 18.998403 reduced_to: 12 - symbol: F # 13 coordinates: [ 0.876227530000000, 0.556880160000000, 0.750296160000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 14 coordinates: [ 0.623772470000000, 0.443119840000000, 0.750296160000000 ] mass: 18.998403 reduced_to: 2 - symbol: F # 15 coordinates: [ 0.623772470000000, 0.556880160000000, 0.249703840000000 ] mass: 18.998403 reduced_to: 3 - symbol: F # 16 coordinates: [ 0.876227530000000, 0.443119840000000, 0.249703840000000 ] mass: 18.998403 reduced_to: 4 - symbol: F # 17 coordinates: [ 0.682316520000000, 0.750000000000000, 0.845874900000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 18 coordinates: [ 0.317683480000000, 0.750000000000000, 0.845874900000000 ] mass: 18.998403 reduced_to: 6 - symbol: F # 19 coordinates: [ 0.817683480000000, 0.750000000000000, 0.154125100000000 ] mass: 18.998403 reduced_to: 7 - symbol: F # 20 coordinates: [ 0.182316520000000, 0.750000000000000, 0.154125100000000 ] mass: 18.998403 reduced_to: 8 - symbol: F # 21 coordinates: [ 0.623772470000000, 0.056880160000000, 0.750296160000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 22 coordinates: [ 0.876227530000000, 0.943119840000000, 0.750296160000000 ] mass: 18.998403 reduced_to: 10 - symbol: F # 23 coordinates: [ 0.876227530000000, 0.056880160000000, 0.249703840000000 ] mass: 18.998403 reduced_to: 11 - symbol: F # 24 coordinates: [ 0.623772470000000, 0.943119840000000, 0.249703840000000 ] mass: 18.998403 reduced_to: 12 - symbol: Zr # 25 coordinates: [ 0.250000000000000, 0.500000000000000, 0.000000000000000 ] mass: 91.224000 reduced_to: 25 - symbol: Zr # 26 coordinates: [ 0.250000000000000, 0.000000000000000, 0.000000000000000 ] mass: 91.224000 reduced_to: 26 - symbol: Zr # 27 coordinates: [ 0.750000000000000, 0.000000000000000, 0.000000000000000 ] mass: 91.224000 reduced_to: 25 - symbol: Zr # 28 coordinates: [ 0.750000000000000, 0.500000000000000, 0.000000000000000 ] mass: 91.224000 reduced_to: 26 - symbol: Ba # 29 coordinates: [ 0.500000000000000, 0.250000000000000, 0.440414040000000 ] mass: 137.327000 reduced_to: 29 - symbol: Ba # 30 coordinates: [ 0.000000000000000, 0.250000000000000, 0.559585960000000 ] mass: 137.327000 reduced_to: 30 - symbol: Ba # 31 coordinates: [ 0.000000000000000, 0.750000000000000, 0.440414040000000 ] mass: 137.327000 reduced_to: 29 - symbol: Ba # 32 coordinates: [ 0.500000000000000, 0.750000000000000, 0.559585960000000 ] mass: 137.327000 reduced_to: 30supercell: lattice: - [ 22.832992839999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 7.609887080000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.983508600000000 ] # c points: - symbol: F # 1 coordinates: [ 0.188113765000000, 0.056880160000000, 0.375148080000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 2 coordinates: [ 0.688113765000000, 0.056880160000000, 0.375148080000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 3 coordinates: [ 0.188113765000000, 0.056880160000000, 0.875148080000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 4 coordinates: [ 0.688113765000000, 0.056880160000000, 0.875148080000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 5 coordinates: [ 0.061886235000000, 0.943119840000000, 0.375148080000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 6 coordinates: [ 0.561886235000000, 0.943119840000000, 0.375148080000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 7 coordinates: [ 0.061886235000000, 0.943119840000000, 0.875148080000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 8 coordinates: [ 0.561886235000000, 0.943119840000000, 0.875148080000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 9 coordinates: [ 0.061886235000000, 0.056880160000000, 0.124851920000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 10 coordinates: [ 0.561886235000000, 0.056880160000000, 0.124851920000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 11 coordinates: [ 0.061886235000000, 0.056880160000000, 0.624851920000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 12 coordinates: [ 0.561886235000000, 0.056880160000000, 0.624851920000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 13 coordinates: [ 0.188113765000000, 0.943119840000000, 0.124851920000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 14 coordinates: [ 0.688113765000000, 0.943119840000000, 0.124851920000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 15 coordinates: [ 0.188113765000000, 0.943119840000000, 0.624851920000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 16 coordinates: [ 0.688113765000000, 0.943119840000000, 0.624851920000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 17 coordinates: [ 0.091158260000000, 0.250000000000000, 0.422937450000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 18 coordinates: [ 0.591158260000000, 0.250000000000000, 0.422937450000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 19 coordinates: [ 0.091158260000000, 0.250000000000000, 0.922937450000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 20 coordinates: [ 0.591158260000000, 0.250000000000000, 0.922937450000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 21 coordinates: [ 0.408841740000000, 0.250000000000000, 0.422937450000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 22 coordinates: [ 0.908841740000000, 0.250000000000000, 0.422937450000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 23 coordinates: [ 0.408841740000000, 0.250000000000000, 0.922937450000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 24 coordinates: [ 0.908841740000000, 0.250000000000000, 0.922937450000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 25 coordinates: [ 0.158841740000000, 0.250000000000000, 0.077062550000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 26 coordinates: [ 0.658841740000000, 0.250000000000000, 0.077062550000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 27 coordinates: [ 0.158841740000000, 0.250000000000000, 0.577062550000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 28 coordinates: [ 0.658841740000000, 0.250000000000000, 0.577062550000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 29 coordinates: [ 0.341158260000000, 0.250000000000000, 0.077062550000000 ] mass: 18.998403 reduced_to: 29 - symbol: F # 30 coordinates: [ 0.841158260000000, 0.250000000000000, 0.077062550000000 ] mass: 18.998403 reduced_to: 29 - symbol: F # 31 coordinates: [ 0.341158260000000, 0.250000000000000, 0.577062550000000 ] mass: 18.998403 reduced_to: 29 - symbol: F # 32 coordinates: [ 0.841158260000000, 0.250000000000000, 0.577062550000000 ] mass: 18.998403 reduced_to: 29 - symbol: F # 33 coordinates: [ 0.061886235000000, 0.556880160000000, 0.375148080000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 34 coordinates: [ 0.561886235000000, 0.556880160000000, 0.375148080000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 35 coordinates: [ 0.061886235000000, 0.556880160000000, 0.875148080000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 36 coordinates: [ 0.561886235000000, 0.556880160000000, 0.875148080000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 37 coordinates: [ 0.188113765000000, 0.443119840000000, 0.375148080000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 38 coordinates: [ 0.688113765000000, 0.443119840000000, 0.375148080000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 39 coordinates: [ 0.188113765000000, 0.443119840000000, 0.875148080000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 40 coordinates: [ 0.688113765000000, 0.443119840000000, 0.875148080000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 41 coordinates: [ 0.188113765000000, 0.556880160000000, 0.124851920000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 42 coordinates: [ 0.688113765000000, 0.556880160000000, 0.124851920000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 43 coordinates: [ 0.188113765000000, 0.556880160000000, 0.624851920000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 44 coordinates: [ 0.688113765000000, 0.556880160000000, 0.624851920000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 45 coordinates: [ 0.061886235000000, 0.443119840000000, 0.124851920000000 ] mass: 18.998403 reduced_to: 45 - symbol: F # 46 coordinates: [ 0.561886235000000, 0.443119840000000, 0.124851920000000 ] mass: 18.998403 reduced_to: 45 - symbol: F # 47 coordinates: [ 0.061886235000000, 0.443119840000000, 0.624851920000000 ] mass: 18.998403 reduced_to: 45 - symbol: F # 48 coordinates: [ 0.561886235000000, 0.443119840000000, 0.624851920000000 ] mass: 18.998403 reduced_to: 45 - symbol: F # 49 coordinates: [ 0.438113765000000, 0.556880160000000, 0.375148080000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 50 coordinates: [ 0.938113765000000, 0.556880160000000, 0.375148080000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 51 coordinates: [ 0.438113765000000, 0.556880160000000, 0.875148080000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 52 coordinates: [ 0.938113765000000, 0.556880160000000, 0.875148080000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 53 coordinates: [ 0.311886235000000, 0.443119840000000, 0.375148080000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 54 coordinates: [ 0.811886235000000, 0.443119840000000, 0.375148080000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 55 coordinates: [ 0.311886235000000, 0.443119840000000, 0.875148080000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 56 coordinates: [ 0.811886235000000, 0.443119840000000, 0.875148080000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 57 coordinates: [ 0.311886235000000, 0.556880160000000, 0.124851920000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 58 coordinates: [ 0.811886235000000, 0.556880160000000, 0.124851920000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 59 coordinates: [ 0.311886235000000, 0.556880160000000, 0.624851920000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 60 coordinates: [ 0.811886235000000, 0.556880160000000, 0.624851920000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 61 coordinates: [ 0.438113765000000, 0.443119840000000, 0.124851920000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 62 coordinates: [ 0.938113765000000, 0.443119840000000, 0.124851920000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 63 coordinates: [ 0.438113765000000, 0.443119840000000, 0.624851920000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 64 coordinates: [ 0.938113765000000, 0.443119840000000, 0.624851920000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 65 coordinates: [ 0.341158260000000, 0.750000000000000, 0.422937450000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 66 coordinates: [ 0.841158260000000, 0.750000000000000, 0.422937450000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 67 coordinates: [ 0.341158260000000, 0.750000000000000, 0.922937450000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 68 coordinates: [ 0.841158260000000, 0.750000000000000, 0.922937450000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 69 coordinates: [ 0.158841740000000, 0.750000000000000, 0.422937450000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 70 coordinates: [ 0.658841740000000, 0.750000000000000, 0.422937450000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 71 coordinates: [ 0.158841740000000, 0.750000000000000, 0.922937450000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 72 coordinates: [ 0.658841740000000, 0.750000000000000, 0.922937450000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 73 coordinates: [ 0.408841740000000, 0.750000000000000, 0.077062550000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 74 coordinates: [ 0.908841740000000, 0.750000000000000, 0.077062550000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 75 coordinates: [ 0.408841740000000, 0.750000000000000, 0.577062550000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 76 coordinates: [ 0.908841740000000, 0.750000000000000, 0.577062550000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 77 coordinates: [ 0.091158260000000, 0.750000000000000, 0.077062550000000 ] mass: 18.998403 reduced_to: 29 - symbol: F # 78 coordinates: [ 0.591158260000000, 0.750000000000000, 0.077062550000000 ] mass: 18.998403 reduced_to: 29 - symbol: F # 79 coordinates: [ 0.091158260000000, 0.750000000000000, 0.577062550000000 ] mass: 18.998403 reduced_to: 29 - symbol: F # 80 coordinates: [ 0.591158260000000, 0.750000000000000, 0.577062550000000 ] mass: 18.998403 reduced_to: 29 - symbol: F # 81 coordinates: [ 0.311886235000000, 0.056880160000000, 0.375148080000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 82 coordinates: [ 0.811886235000000, 0.056880160000000, 0.375148080000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 83 coordinates: [ 0.311886235000000, 0.056880160000000, 0.875148080000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 84 coordinates: [ 0.811886235000000, 0.056880160000000, 0.875148080000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 85 coordinates: [ 0.438113765000000, 0.943119840000000, 0.375148080000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 86 coordinates: [ 0.938113765000000, 0.943119840000000, 0.375148080000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 87 coordinates: [ 0.438113765000000, 0.943119840000000, 0.875148080000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 88 coordinates: [ 0.938113765000000, 0.943119840000000, 0.875148080000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 89 coordinates: [ 0.438113765000000, 0.056880160000000, 0.124851920000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 90 coordinates: [ 0.938113765000000, 0.056880160000000, 0.124851920000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 91 coordinates: [ 0.438113765000000, 0.056880160000000, 0.624851920000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 92 coordinates: [ 0.938113765000000, 0.056880160000000, 0.624851920000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 93 coordinates: [ 0.311886235000000, 0.943119840000000, 0.124851920000000 ] mass: 18.998403 reduced_to: 45 - symbol: F # 94 coordinates: [ 0.811886235000000, 0.943119840000000, 0.124851920000000 ] mass: 18.998403 reduced_to: 45 - symbol: F # 95 coordinates: [ 0.311886235000000, 0.943119840000000, 0.624851920000000 ] mass: 18.998403 reduced_to: 45 - symbol: F # 96 coordinates: [ 0.811886235000000, 0.943119840000000, 0.624851920000000 ] mass: 18.998403 reduced_to: 45 - symbol: Zr # 97 coordinates: [ 0.125000000000000, 0.500000000000000, 0.000000000000000 ] mass: 91.224000 reduced_to: 97 - symbol: Zr # 98 coordinates: [ 0.625000000000000, 0.500000000000000, 0.000000000000000 ] mass: 91.224000 reduced_to: 97 - symbol: Zr # 99 coordinates: [ 0.125000000000000, 0.500000000000000, 0.500000000000000 ] mass: 91.224000 reduced_to: 97 - symbol: Zr # 100 coordinates: [ 0.625000000000000, 0.500000000000000, 0.500000000000000 ] mass: 91.224000 reduced_to: 97 - symbol: Zr # 101 coordinates: [ 0.125000000000000, 0.000000000000000, 0.000000000000000 ] mass: 91.224000 reduced_to: 101 - symbol: Zr # 102 coordinates: [ 0.625000000000000, 0.000000000000000, 0.000000000000000 ] mass: 91.224000 reduced_to: 101 - symbol: Zr # 103 coordinates: [ 0.125000000000000, 0.000000000000000, 0.500000000000000 ] mass: 91.224000 reduced_to: 101 - symbol: Zr # 104 coordinates: [ 0.625000000000000, 0.000000000000000, 0.500000000000000 ] mass: 91.224000 reduced_to: 101 - symbol: Zr # 105 coordinates: [ 0.375000000000000, 0.000000000000000, 0.000000000000000 ] mass: 91.224000 reduced_to: 97 - symbol: Zr # 106 coordinates: [ 0.875000000000000, 0.000000000000000, 0.000000000000000 ] mass: 91.224000 reduced_to: 97 - symbol: Zr # 107 coordinates: [ 0.375000000000000, 0.000000000000000, 0.500000000000000 ] mass: 91.224000 reduced_to: 97 - symbol: Zr # 108 coordinates: [ 0.875000000000000, 0.000000000000000, 0.500000000000000 ] mass: 91.224000 reduced_to: 97 - symbol: Zr # 109 coordinates: [ 0.375000000000000, 0.500000000000000, 0.000000000000000 ] mass: 91.224000 reduced_to: 101 - symbol: Zr # 110 coordinates: [ 0.875000000000000, 0.500000000000000, 0.000000000000000 ] mass: 91.224000 reduced_to: 101 - symbol: Zr # 111 coordinates: [ 0.375000000000000, 0.500000000000000, 0.500000000000000 ] mass: 91.224000 reduced_to: 101 - symbol: Zr # 112 coordinates: [ 0.875000000000000, 0.500000000000000, 0.500000000000000 ] mass: 91.224000 reduced_to: 101 - symbol: Ba # 113 coordinates: [ 0.250000000000000, 0.250000000000000, 0.220207020000000 ] mass: 137.327000 reduced_to: 113 - symbol: Ba # 114 coordinates: [ 0.750000000000000, 0.250000000000000, 0.220207020000000 ] mass: 137.327000 reduced_to: 113 - symbol: Ba # 115 coordinates: [ 0.250000000000000, 0.250000000000000, 0.720207020000000 ] mass: 137.327000 reduced_to: 113 - symbol: Ba # 116 coordinates: [ 0.750000000000000, 0.250000000000000, 0.720207020000000 ] mass: 137.327000 reduced_to: 113 - symbol: Ba # 117 coordinates: [ 0.000000000000000, 0.250000000000000, 0.279792980000000 ] mass: 137.327000 reduced_to: 117 - symbol: Ba # 118 coordinates: [ 0.500000000000000, 0.250000000000000, 0.279792980000000 ] mass: 137.327000 reduced_to: 117 - symbol: Ba # 119 coordinates: [ 0.000000000000000, 0.250000000000000, 0.779792980000000 ] mass: 137.327000 reduced_to: 117 - symbol: Ba # 120 coordinates: [ 0.500000000000000, 0.250000000000000, 0.779792980000000 ] mass: 137.327000 reduced_to: 117 - symbol: Ba # 121 coordinates: [ 0.000000000000000, 0.750000000000000, 0.220207020000000 ] mass: 137.327000 reduced_to: 113 - symbol: Ba # 122 coordinates: [ 0.500000000000000, 0.750000000000000, 0.220207020000000 ] mass: 137.327000 reduced_to: 113 - symbol: Ba # 123 coordinates: [ 0.000000000000000, 0.750000000000000, 0.720207020000000 ] mass: 137.327000 reduced_to: 113 - symbol: Ba # 124 coordinates: [ 0.500000000000000, 0.750000000000000, 0.720207020000000 ] mass: 137.327000 reduced_to: 113 - symbol: Ba # 125 coordinates: [ 0.250000000000000, 0.750000000000000, 0.279792980000000 ] mass: 137.327000 reduced_to: 117 - symbol: Ba # 126 coordinates: [ 0.750000000000000, 0.750000000000000, 0.279792980000000 ] mass: 137.327000 reduced_to: 117 - symbol: Ba # 127 coordinates: [ 0.250000000000000, 0.750000000000000, 0.779792980000000 ] mass: 137.327000 reduced_to: 117 - symbol: Ba # 128 coordinates: [ 0.750000000000000, 0.750000000000000, 0.779792980000000 ] mass: 137.327000 reduced_to: 117displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0748719500000000, -0.0219273600000000, 0.0538319600000000 ] - [ 0.0008047500000000, 0.0001993500000000, -0.0004937000000000 ] - [ -0.0010207600000000, -0.0000981700000000, -0.0003602000000000 ] - [ 0.0007693400000000, 0.0002007100000000, -0.0004956700000000 ] - [ 0.0072373100000000, 0.0023315500000000, 0.0029019300000000 ] - [ 0.0007770900000000, 0.0000176100000000, 0.0003311800000000 ] - [ -0.0014247000000000, -0.0003122800000000, -0.0017371500000000 ] - [ 0.0006628500000000, 0.0000147200000000, 0.0002939500000000 ] - [ -0.0014349100000000, 0.0002794400000000, 0.0017306700000000 ] - [ 0.0007222000000000, -0.0000294800000000, -0.0003486500000000 ] - [ 0.0094575800000000, -0.0045891700000000, -0.0083603600000000 ] - [ 0.0007220400000000, -0.0000157800000000, -0.0002814600000000 ] - [ -0.0038037800000000, -0.0001197000000000, -0.0031301600000000 ] - [ 0.0007678400000000, -0.0001979300000000, 0.0004877500000000 ] - [ -0.0081775900000000, 0.0007703500000000, -0.0034517900000000 ] - [ 0.0008034000000000, -0.0002012300000000, 0.0005009900000000 ] - [ 0.0065845200000000, -0.0095220600000000, -0.0017474200000000 ] - [ 0.0004621400000000, 0.0000068600000000, 0.0001303200000000 ] - [ -0.0011226900000000, -0.0000818900000000, -0.0008748900000000 ] - [ 0.0004176400000000, -0.0000002700000000, 0.0000989400000000 ] - [ 0.0009127700000000, 0.0005342800000000, 0.0000023700000000 ] - [ 0.0006693000000000, -0.0001074700000000, -0.0002422300000000 ] - [ 0.0004606400000000, 0.0000034100000000, -0.0005003700000000 ] - [ 0.0005825100000000, 0.0000094600000000, -0.0003477500000000 ] - [ -0.0022393500000000, -0.0000020600000000, -0.0012228100000000 ] - [ 0.0005974800000000, 0.0000009600000000, 0.0002798500000000 ] - [ -0.0036621300000000, -0.0041000700000000, -0.0027768000000000 ] - [ 0.0006109600000000, 0.0000039000000000, 0.0002923000000000 ] - [ 0.0014928300000000, -0.0002194600000000, -0.0012412000000000 ] - [ 0.0003740800000000, -0.0000069500000000, -0.0000849700000000 ] - [ -0.0002437800000000, 0.0005404100000000, 0.0010628200000000 ] - [ 0.0005048500000000, -0.0000707900000000, -0.0001441600000000 ] - [ -0.0001841200000000, -0.0001311900000000, 0.0005125000000000 ] - [ 0.0007374600000000, -0.0000172100000000, 0.0003282600000000 ] - [ -0.0013261900000000, 0.0003650400000000, -0.0013304500000000 ] - [ 0.0006616200000000, -0.0000135400000000, 0.0002934000000000 ] - [ -0.0053293200000000, 0.0018693700000000, 0.0035870300000000 ] - [ 0.0007931900000000, -0.0001972500000000, -0.0004909700000000 ] - [ -0.0010037500000000, 0.0000743300000000, -0.0001574300000000 ] - [ 0.0007679100000000, -0.0002002800000000, -0.0004958000000000 ] - [ -0.0029130100000000, -0.0000408500000000, -0.0018915500000000 ] - [ 0.0007674300000000, 0.0001979500000000, 0.0004888400000000 ] - [ -0.0025153400000000, -0.0001392300000000, -0.0013524700000000 ] - [ 0.0007921800000000, 0.0001991800000000, 0.0004971600000000 ] - [ -0.0013789600000000, -0.0003412600000000, 0.0011733800000000 ] - [ 0.0007220200000000, 0.0000299300000000, -0.0003511600000000 ] - [ -0.0001524700000000, -0.0003676600000000, -0.0004619200000000 ] - [ 0.0006884800000000, 0.0000169500000000, -0.0002802300000000 ] - [ 0.0007238300000000, 0.0001430000000000, -0.0003516900000000 ] - [ 0.0007256300000000, 0.0001520300000000, -0.0003498700000000 ] - [ 0.0005837200000000, 0.0002268400000000, -0.0005096100000000 ] - [ 0.0005875700000000, 0.0001853200000000, -0.0006030900000000 ] - [ 0.0010799100000000, 0.0005966700000000, 0.0013156400000000 ] - [ 0.0007657000000000, 0.0000187700000000, 0.0003686000000000 ] - [ -0.0008427200000000, -0.0001631100000000, -0.0009668900000000 ] - [ 0.0006196300000000, 0.0000002500000000, 0.0002374700000000 ] - [ 0.0016518000000000, 0.0004022000000000, -0.0017928900000000 ] - [ 0.0006202100000000, -0.0000034300000000, -0.0002397300000000 ] - [ -0.0011581900000000, 0.0002695800000000, 0.0011120900000000 ] - [ 0.0007629300000000, -0.0000221800000000, -0.0003673900000000 ] - [ 0.0005905600000000, -0.0000722800000000, 0.0001719300000000 ] - [ 0.0005929700000000, -0.0002506600000000, 0.0006261400000000 ] - [ 0.0007491600000000, -0.0001895500000000, 0.0006914400000000 ] - [ 0.0007515800000000, -0.0002067500000000, 0.0003635800000000 ] - [ 0.0006387600000000, -0.0008381900000000, 0.0005829900000000 ] - [ 0.0004979300000000, 0.0000706300000000, 0.0001417700000000 ] - [ -0.0005094000000000, -0.0000093200000000, -0.0006943900000000 ] - [ 0.0003682400000000, 0.0000069300000000, 0.0000805000000000 ] - [ -0.0044678800000000, 0.0092033800000000, 0.0006692000000000 ] - [ 0.0006123200000000, -0.0000036000000000, -0.0002815200000000 ] - [ -0.0007512800000000, 0.0000297000000000, -0.0003338900000000 ] - [ 0.0005964000000000, -0.0000004300000000, -0.0002904600000000 ] - [ 0.0004738200000000, -0.0000029700000000, -0.0000089100000000 ] - [ 0.0005343100000000, -0.0000020600000000, 0.0003153800000000 ] - [ 0.0005589900000000, -0.0004025900000000, 0.0005796600000000 ] - [ 0.0006158800000000, 0.0001104600000000, 0.0002155700000000 ] - [ -0.0011824900000000, 0.0001039700000000, 0.0005098800000000 ] - [ 0.0004416400000000, 0.0000002400000000, -0.0001316400000000 ] - [ 0.0003989600000000, 0.0060085600000000, -0.0009558400000000 ] - [ 0.0004243500000000, -0.0000067100000000, -0.0000902600000000 ] - [ 0.0107604900000000, -0.0007292900000000, 0.0024727800000000 ] - [ 0.0008445300000000, -0.0000507800000000, 0.0004170300000000 ] - [ -0.0008519000000000, 0.0001898800000000, -0.0008942800000000 ] - [ 0.0006257900000000, -0.0000029200000000, 0.0002342000000000 ] - [ 0.0012158600000000, -0.0003092700000000, -0.0005511000000000 ] - [ 0.0012134300000000, -0.0001424300000000, -0.0003584600000000 ] - [ 0.0005669300000000, -0.0002220900000000, -0.0004668600000000 ] - [ 0.0005673800000000, -0.0001969300000000, -0.0005874800000000 ] - [ 0.0005938800000000, 0.0000746700000000, 0.0001038600000000 ] - [ 0.0005957400000000, 0.0002537200000000, 0.0006203000000000 ] - [ 0.0012703900000000, 0.0004473900000000, 0.0011201200000000 ] - [ 0.0012668300000000, 0.0001968100000000, 0.0003933100000000 ] - [ 0.0009876600000000, -0.0002694600000000, -0.0014389600000000 ] - [ 0.0006254200000000, 0.0000061000000000, -0.0002351300000000 ] - [ -0.0010823300000000, -0.0004893700000000, 0.0017729100000000 ] - [ 0.0008382700000000, 0.0000538800000000, -0.0004136700000000 ] - [ 0.0055455200000000, -0.0003196800000000, 0.0018784600000000 ] - [ -0.0023674500000000, 0.0000010700000000, 0.0000512800000000 ] - [ 0.0081306700000000, 0.0007158700000000, -0.0015564400000000 ] - [ -0.0024581000000000, -0.0000084900000000, -0.0000519500000000 ] - [ 0.0065231400000000, 0.0001227800000000, 0.0021836100000000 ] - [ -0.0023720800000000, -0.0000002000000000, 0.0000535400000000 ] - [ 0.0536742700000000, 0.0154330600000000, -0.0362734000000000 ] - [ -0.0025103100000000, 0.0000088800000000, -0.0000523400000000 ] - [ -0.0013155600000000, 0.0005291800000000, 0.0023540600000000 ] - [ -0.0019713000000000, -0.0000274600000000, -0.0000038400000000 ] - [ -0.0054860500000000, 0.0009489200000000, -0.0052818600000000 ] - [ -0.0032196600000000, -0.0000451300000000, -0.0000142500000000 ] - [ -0.0015266400000000, -0.0005004600000000, 0.0024324400000000 ] - [ -0.0019466900000000, 0.0000262200000000, 0.0000036800000000 ] - [ -0.0014612700000000, -0.0002835100000000, -0.0024076300000000 ] - [ -0.0025674400000000, 0.0000421300000000, -0.0000017300000000 ] - [ 0.0053133400000000, 0.0011688800000000, -0.0012592000000000 ] - [ -0.0015932000000000, 0.0000111100000000, -0.0000544300000000 ] - [ 0.0040899000000000, -0.0001655200000000, -0.0002700300000000 ] - [ -0.0016214100000000, 0.0000122200000000, 0.0001102500000000 ] - [ -0.0020829100000000, 0.0010134400000000, -0.0025613300000000 ] - [ -0.0018291200000000, -0.0000894400000000, 0.0001655500000000 ] - [ -0.0011008300000000, 0.0009175400000000, 0.0023350400000000 ] - [ -0.0014337500000000, -0.0000593800000000, -0.0002011000000000 ] - [ -0.0009719500000000, -0.0009518100000000, -0.0022392200000000 ] - [ -0.0016805100000000, 0.0000819900000000, 0.0002448700000000 ] - [ -0.0015755900000000, -0.0009575800000000, 0.0021725200000000 ] - [ -0.0014633100000000, 0.0000643200000000, -0.0001708200000000 ] - [ 0.0033709500000000, 0.0037041400000000, 0.0011805500000000 ] - [ -0.0016220100000000, -0.0000114700000000, -0.0001111200000000 ] - [ 0.0035007200000000, -0.0001500900000000, 0.0009164900000000 ] - [ -0.0015841500000000, -0.0000113300000000, 0.0000541600000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0765311300000000, 0.0226274200000000, -0.0562081400000000 ] - [ -0.0007337500000000, -0.0000191400000000, 0.0003143200000000 ] - [ 0.0010893600000000, 0.0002769700000000, 0.0001845900000000 ] - [ -0.0006986900000000, -0.0000208000000000, 0.0003161200000000 ] - [ -0.0074140600000000, -0.0025505700000000, -0.0031104600000000 ] - [ -0.0008461200000000, -0.0001971700000000, -0.0005115600000000 ] - [ 0.0013653700000000, 0.0001355700000000, 0.0015686400000000 ] - [ -0.0007303800000000, -0.0001934200000000, -0.0004709400000000 ] - [ 0.0013758900000000, -0.0000986500000000, -0.0015494200000000 ] - [ -0.0007934100000000, 0.0002100900000000, 0.0005298100000000 ] - [ -0.0096157200000000, 0.0048080800000000, 0.0085778400000000 ] - [ -0.0007906500000000, 0.0001958900000000, 0.0004614800000000 ] - [ 0.0038757600000000, -0.0000527700000000, 0.0033611000000000 ] - [ -0.0006985600000000, 0.0000187000000000, -0.0003092500000000 ] - [ 0.0083005700000000, -0.0009381700000000, 0.0035979700000000 ] - [ -0.0007321800000000, 0.0000222400000000, -0.0003203300000000 ] - [ -0.0068648900000000, 0.0096729400000000, 0.0016121500000000 ] - [ -0.0006272800000000, -0.0000068200000000, -0.0003025900000000 ] - [ 0.0009624800000000, 0.0000800600000000, 0.0007076900000000 ] - [ -0.0005831100000000, 0.0000006100000000, -0.0002716300000000 ] - [ -0.0007410700000000, -0.0005277800000000, -0.0001746500000000 ] - [ -0.0005007100000000, 0.0001084000000000, 0.0000694300000000 ] - [ -0.0002932800000000, -0.0000031200000000, 0.0003269800000000 ] - [ -0.0004136800000000, -0.0000096700000000, 0.0001743100000000 ] - [ 0.0024035600000000, -0.0000054200000000, 0.0014044400000000 ] - [ -0.0004322000000000, -0.0000001800000000, -0.0001084400000000 ] - [ 0.0038742500000000, 0.0040831600000000, 0.0029062400000000 ] - [ -0.0004444900000000, -0.0000035700000000, -0.0001196900000000 ] - [ -0.0016622500000000, 0.0002184000000000, 0.0014160300000000 ] - [ -0.0005410600000000, 0.0000072700000000, 0.0002563700000000 ] - [ 0.0000726500000000, -0.0005348100000000, -0.0008859700000000 ] - [ -0.0006724700000000, 0.0000717600000000, 0.0003163900000000 ] - [ 0.0001293900000000, 0.0003125700000000, -0.0006886800000000 ] - [ -0.0008099200000000, 0.0001983000000000, -0.0005107000000000 ] - [ 0.0012633700000000, -0.0001865900000000, 0.0011570500000000 ] - [ -0.0007328400000000, 0.0001936200000000, -0.0004737000000000 ] - [ 0.0054017100000000, -0.0020876100000000, -0.0037725800000000 ] - [ -0.0007219300000000, 0.0000171600000000, 0.0003100200000000 ] - [ 0.0010729400000000, -0.0002541500000000, -0.0000218900000000 ] - [ -0.0006977500000000, 0.0000206800000000, 0.0003162700000000 ] - [ 0.0029760700000000, 0.0002232800000000, 0.0020714800000000 ] - [ -0.0006973400000000, -0.0000181600000000, -0.0003092900000000 ] - [ 0.0025872100000000, 0.0003174300000000, 0.0015288000000000 ] - [ -0.0007223200000000, -0.0000198800000000, -0.0003172500000000 ] - [ 0.0013146200000000, 0.0001611000000000, -0.0009940700000000 ] - [ -0.0007900700000000, -0.0002089100000000, 0.0005285300000000 ] - [ 0.0000952000000000, 0.0001864600000000, 0.0006366300000000 ] - [ -0.0007572600000000, -0.0001959300000000, 0.0004599600000000 ] - [ -0.0006534200000000, 0.0000367200000000, 0.0001710900000000 ] - [ -0.0006542200000000, 0.0000279000000000, 0.0001698000000000 ] - [ -0.0005164700000000, -0.0000478200000000, 0.0003333000000000 ] - [ -0.0005135200000000, -0.0000044300000000, 0.0004204300000000 ] - [ -0.0011561500000000, -0.0007743500000000, -0.0014978500000000 ] - [ -0.0008349300000000, -0.0001980500000000, -0.0005475400000000 ] - [ 0.0007660800000000, -0.0000178100000000, 0.0007818500000000 ] - [ -0.0006911100000000, -0.0001801000000000, -0.0004190000000000 ] - [ -0.0017197400000000, -0.0002171900000000, 0.0019719800000000 ] - [ -0.0006881500000000, 0.0001827700000000, 0.0004178000000000 ] - [ 0.0010789100000000, -0.0000875800000000, -0.0009253600000000 ] - [ -0.0008303100000000, 0.0002017400000000, 0.0005458500000000 ] - [ -0.0005208400000000, -0.0001065700000000, 0.0000069700000000 ] - [ -0.0005198400000000, 0.0000712600000000, -0.0004453400000000 ] - [ -0.0006797800000000, 0.0000111100000000, -0.0005112100000000 ] - [ -0.0006795200000000, 0.0000273600000000, -0.0001823300000000 ] - [ -0.0008073300000000, 0.0008304000000000, -0.0007561600000000 ] - [ -0.0006634800000000, -0.0000707100000000, -0.0003139200000000 ] - [ 0.0003419300000000, 0.0000097400000000, 0.0005222700000000 ] - [ -0.0005335300000000, -0.0000064200000000, -0.0002526900000000 ] - [ 0.0047247700000000, -0.0091315800000000, -0.0008877800000000 ] - [ -0.0004442300000000, 0.0000040300000000, 0.0001095800000000 ] - [ 0.0009208700000000, -0.0000260500000000, 0.0001637500000000 ] - [ -0.0004272900000000, 0.0000007500000000, 0.0001165000000000 ] - [ -0.0003091500000000, 0.0000034300000000, 0.0001803300000000 ] - [ -0.0003677900000000, 0.0000029500000000, -0.0001430100000000 ] - [ -0.0003921200000000, 0.0003981300000000, -0.0004040400000000 ] - [ -0.0004502500000000, -0.0001108900000000, -0.0000426000000000 ] - [ 0.0010206900000000, -0.0001001500000000, -0.0003367600000000 ] - [ -0.0006084200000000, -0.0000001800000000, 0.0003029900000000 ] - [ -0.0005713800000000, -0.0060722600000000, 0.0011296400000000 ] - [ -0.0005923300000000, 0.0000071000000000, 0.0002638400000000 ] - [ -0.0106237100000000, 0.0009053600000000, -0.0026364600000000 ] - [ -0.0009146100000000, 0.0002310200000000, -0.0005965700000000 ] - [ 0.0007797600000000, -0.0000096300000000, 0.0007147200000000 ] - [ -0.0006968500000000, 0.0001832600000000, -0.0004148600000000 ] - [ -0.0011418100000000, 0.0001284500000000, 0.0003699800000000 ] - [ -0.0011469900000000, -0.0000365800000000, 0.0001795100000000 ] - [ -0.0004973000000000, 0.0000427000000000, 0.0002877200000000 ] - [ -0.0004977900000000, 0.0000177000000000, 0.0004087200000000 ] - [ -0.0005250400000000, 0.0001050600000000, 0.0000733300000000 ] - [ -0.0005242600000000, -0.0000737200000000, -0.0004408400000000 ] - [ -0.0011931600000000, -0.0002647100000000, -0.0009329700000000 ] - [ -0.0011991900000000, -0.0000165200000000, -0.0002124800000000 ] - [ -0.0010604400000000, 0.0000889000000000, 0.0016156600000000 ] - [ -0.0006946100000000, -0.0001851800000000, 0.0004139500000000 ] - [ 0.0010016600000000, 0.0003065100000000, -0.0015817000000000 ] - [ -0.0009092600000000, -0.0002335300000000, 0.0005947400000000 ] - [ -0.0055523000000000, 0.0003236000000000, -0.0018875500000000 ] - [ 0.0023668200000000, 0.0000000200000000, -0.0000519600000000 ] - [ -0.0082046000000000, -0.0007044300000000, 0.0015963700000000 ] - [ 0.0024531600000000, 0.0000085900000000, 0.0000477300000000 ] - [ -0.0065547100000000, -0.0001219600000000, -0.0022273100000000 ] - [ 0.0023710600000000, 0.0000000300000000, -0.0000514100000000 ] - [ -0.0555236200000000, -0.0162066200000000, 0.0386963900000000 ] - [ 0.0025061600000000, -0.0000070400000000, 0.0000516500000000 ] - [ 0.0013280400000000, -0.0005251000000000, -0.0023492800000000 ] - [ 0.0019699600000000, 0.0000285800000000, 0.0000056700000000 ] - [ 0.0054602000000000, -0.0009432100000000, 0.0052467400000000 ] - [ 0.0032227300000000, 0.0000431900000000, 0.0000161900000000 ] - [ 0.0015308600000000, 0.0004971700000000, -0.0024299600000000 ] - [ 0.0019460500000000, -0.0000260300000000, -0.0000065400000000 ] - [ 0.0014710700000000, 0.0002837500000000, 0.0024043400000000 ] - [ 0.0025684200000000, -0.0000403100000000, 0.0000015600000000 ] - [ -0.0051726200000000, -0.0010183400000000, 0.0011260300000000 ] - [ 0.0015930100000000, -0.0000108300000000, 0.0001110300000000 ] - [ -0.0040687900000000, 0.0001651800000000, 0.0003321100000000 ] - [ 0.0016203600000000, -0.0000113900000000, -0.0000556800000000 ] - [ 0.0020720000000000, -0.0010177300000000, 0.0025159000000000 ] - [ 0.0018264500000000, 0.0000884000000000, -0.0002173100000000 ] - [ 0.0010987700000000, -0.0009238200000000, -0.0023997200000000 ] - [ 0.0014333400000000, 0.0000595700000000, 0.0001413300000000 ] - [ 0.0009639800000000, 0.0009564300000000, 0.0023051200000000 ] - [ 0.0016782900000000, -0.0000799900000000, -0.0001853600000000 ] - [ 0.0015773700000000, 0.0009657300000000, -0.0021251800000000 ] - [ 0.0014625200000000, -0.0000633300000000, 0.0002238300000000 ] - [ -0.0032782100000000, -0.0037811600000000, -0.0012719200000000 ] - [ 0.0016221400000000, 0.0000120800000000, 0.0000557500000000 ] - [ -0.0034878000000000, 0.0001510500000000, -0.0009710300000000 ] - [ 0.0015834400000000, 0.0000107000000000, -0.0001117700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0222131300000000, -0.0504790700000000, 0.0221536500000000 ] - [ 0.0001451600000000, 0.0001043900000000, -0.0001455900000000 ] - [ -0.0001538000000000, -0.0001492700000000, -0.0002262800000000 ] - [ 0.0001471100000000, 0.0001061100000000, -0.0001533900000000 ] - [ 0.0024236300000000, -0.0004573500000000, 0.0007223500000000 ] - [ 0.0000736500000000, -0.0000771100000000, -0.0000262600000000 ] - [ -0.0002598400000000, -0.0001061700000000, -0.0004879200000000 ] - [ 0.0000718300000000, -0.0000792600000000, -0.0000374900000000 ] - [ -0.0002259600000000, -0.0001681700000000, 0.0001136500000000 ] - [ 0.0000850700000000, 0.0000688900000000, 0.0000274000000000 ] - [ 0.0046858200000000, -0.0018589700000000, -0.0044615900000000 ] - [ 0.0000722100000000, 0.0000687300000000, 0.0000297200000000 ] - [ 0.0000633600000000, -0.0011014500000000, 0.0018252600000000 ] - [ 0.0001436500000000, -0.0001065500000000, 0.0001493800000000 ] - [ -0.0008355600000000, -0.0004330700000000, -0.0034079600000000 ] - [ 0.0001483500000000, -0.0001062500000000, 0.0001498300000000 ] - [ -0.0062962800000000, 0.0023579600000000, 0.0027781300000000 ] - [ 0.0000003900000000, -0.0000008800000000, -0.0000501200000000 ] - [ -0.0004055100000000, -0.0001277400000000, -0.0003786900000000 ] - [ -0.0000043000000000, -0.0000001500000000, -0.0000585900000000 ] - [ 0.0001911300000000, -0.0000209300000000, -0.0000439000000000 ] - [ 0.0000682700000000, -0.0000446500000000, -0.0000206900000000 ] - [ 0.0003046100000000, 0.0000002400000000, -0.0003195900000000 ] - [ 0.0001929500000000, 0.0000056700000000, -0.0001712800000000 ] - [ -0.0008619800000000, -0.0000945300000000, -0.0010856400000000 ] - [ 0.0001600000000000, 0.0000001000000000, 0.0001144700000000 ] - [ -0.0029646500000000, 0.0019592800000000, 0.0052943600000000 ] - [ 0.0001604200000000, -0.0000006800000000, 0.0001167200000000 ] - [ 0.0015490700000000, -0.0001881700000000, -0.0011096400000000 ] - [ -0.0000225500000000, -0.0000032600000000, 0.0000465100000000 ] - [ 0.0000890500000000, -0.0000192800000000, 0.0001997300000000 ] - [ 0.0000007800000000, -0.0000309100000000, 0.0000709000000000 ] - [ 0.0001818800000000, 0.0009793900000000, -0.0000670100000000 ] - [ 0.0000723600000000, 0.0000774800000000, -0.0000276700000000 ] - [ -0.0003125200000000, 0.0001889600000000, -0.0003447200000000 ] - [ 0.0000691700000000, 0.0000794200000000, -0.0000394600000000 ] - [ -0.0019572800000000, 0.0067181900000000, 0.0018084600000000 ] - [ 0.0001436000000000, -0.0001050400000000, -0.0001464300000000 ] - [ -0.0001299400000000, 0.0000800800000000, -0.0001412600000000 ] - [ 0.0001465400000000, -0.0001065800000000, -0.0001534100000000 ] - [ -0.0001047900000000, 0.0010063800000000, 0.0001303400000000 ] - [ 0.0001437400000000, 0.0001061900000000, 0.0001498800000000 ] - [ -0.0001923200000000, 0.0009117700000000, -0.0002008800000000 ] - [ 0.0001453100000000, 0.0001058700000000, 0.0001492200000000 ] - [ -0.0002885400000000, 0.0000797500000000, 0.0000704300000000 ] - [ 0.0000870100000000, -0.0000685300000000, 0.0000249100000000 ] - [ -0.0003190700000000, 0.0000414200000000, 0.0003177500000000 ] - [ 0.0000734200000000, -0.0000688300000000, 0.0000292700000000 ] - [ 0.0000978900000000, 0.0001566900000000, -0.0001063900000000 ] - [ 0.0000883900000000, 0.0001569600000000, -0.0000972100000000 ] - [ 0.0001301900000000, 0.0001125500000000, -0.0001670700000000 ] - [ 0.0001753200000000, 0.0001131600000000, -0.0002384100000000 ] - [ 0.0006563100000000, 0.0009931400000000, 0.0004450100000000 ] - [ 0.0000748800000000, -0.0000694900000000, -0.0000170600000000 ] - [ -0.0001112500000000, 0.0000480500000000, -0.0002540900000000 ] - [ 0.0000551600000000, -0.0000810400000000, -0.0000546100000000 ] - [ -0.0003383200000000, 0.0014681500000000, 0.0007118200000000 ] - [ 0.0000598500000000, 0.0000774600000000, 0.0000356900000000 ] - [ -0.0002166300000000, 0.0003027800000000, 0.0002259900000000 ] - [ 0.0000794100000000, 0.0000784900000000, 0.0000307600000000 ] - [ 0.0001980700000000, -0.0000271700000000, 0.0001374700000000 ] - [ 0.0000190000000000, -0.0000273600000000, 0.0000655600000000 ] - [ 0.0001520500000000, -0.0001003300000000, 0.0001716100000000 ] - [ 0.0001366500000000, -0.0001004500000000, 0.0001864900000000 ] - [ -0.0006991800000000, 0.0000377000000000, -0.0004437300000000 ] - [ 0.0000072200000000, 0.0000290600000000, -0.0000429300000000 ] - [ -0.0002383900000000, -0.0000020700000000, -0.0002205000000000 ] - [ -0.0000107400000000, 0.0000030500000000, -0.0000680200000000 ] - [ 0.0081654400000000, 0.0235639500000000, -0.0071342600000000 ] - [ 0.0001593400000000, 0.0000005600000000, -0.0001132600000000 ] - [ 0.0000333500000000, 0.0001444300000000, -0.0001472100000000 ] - [ 0.0001621100000000, -0.0000000400000000, -0.0001187600000000 ] - [ 0.0001384600000000, 0.0000007700000000, 0.0001261800000000 ] - [ 0.0001620800000000, 0.0000008600000000, 0.0001204900000000 ] - [ 0.0000296100000000, 0.0000197700000000, 0.0000555800000000 ] - [ 0.0002026000000000, 0.0000479500000000, 0.0001376000000000 ] - [ -0.0001812300000000, 0.0001408200000000, 0.0002765700000000 ] - [ -0.0000081200000000, -0.0000003900000000, 0.0000568300000000 ] - [ 0.0002114600000000, 0.0001943800000000, -0.0002011500000000 ] - [ -0.0000134000000000, 0.0000002400000000, 0.0000617200000000 ] - [ 0.0007729700000000, -0.0015064700000000, 0.0005387100000000 ] - [ 0.0001072400000000, 0.0000548900000000, 0.0000047800000000 ] - [ -0.0001356500000000, -0.0000449400000000, -0.0002550700000000 ] - [ 0.0000581600000000, 0.0000795100000000, -0.0000560300000000 ] - [ 0.0000863600000000, -0.0001477600000000, -0.0000894200000000 ] - [ 0.0002556300000000, -0.0001483100000000, -0.0000909100000000 ] - [ 0.0001439300000000, -0.0001204500000000, -0.0001872300000000 ] - [ 0.0001675500000000, -0.0001201200000000, -0.0002268500000000 ] - [ 0.0001998800000000, 0.0000253500000000, 0.0001408800000000 ] - [ 0.0000198800000000, 0.0000255800000000, 0.0000618800000000 ] - [ 0.0001415900000000, 0.0000969100000000, 0.0001692200000000 ] - [ 0.0003940000000000, 0.0000972300000000, 0.0002125600000000 ] - [ -0.0002101300000000, -0.0008805200000000, 0.0003300700000000 ] - [ 0.0000618100000000, -0.0000767200000000, 0.0000373800000000 ] - [ -0.0004382300000000, -0.0003277000000000, 0.0002187900000000 ] - [ 0.0001099000000000, -0.0000661800000000, 0.0000133800000000 ] - [ 0.0010054200000000, -0.0010626600000000, 0.0006809600000000 ] - [ -0.0003632100000000, -0.0000056200000000, 0.0000119000000000 ] - [ 0.0017118100000000, -0.0099474800000000, -0.0010595600000000 ] - [ -0.0003568300000000, -0.0000064400000000, -0.0000099900000000 ] - [ 0.0005287800000000, 0.0012207900000000, 0.0004151500000000 ] - [ -0.0003640300000000, 0.0000062000000000, 0.0000134900000000 ] - [ 0.0125301600000000, 0.0206184700000000, -0.0122766800000000 ] - [ -0.0003576400000000, 0.0000068800000000, -0.0000084600000000 ] - [ -0.0002943900000000, 0.0008277800000000, 0.0004119700000000 ] - [ -0.0002742000000000, 0.0000208800000000, 0.0001267400000000 ] - [ -0.0001843500000000, 0.0008221600000000, -0.0005647800000000 ] - [ -0.0005916300000000, 0.0000567000000000, -0.0001371600000000 ] - [ -0.0003685300000000, -0.0008085100000000, 0.0004137800000000 ] - [ -0.0002610900000000, -0.0000219600000000, 0.0001251100000000 ] - [ -0.0003948200000000, -0.0007708900000000, -0.0004374200000000 ] - [ -0.0003154400000000, -0.0000666800000000, -0.0000989100000000 ] - [ 0.0024872000000000, 0.0051159200000000, -0.0038047600000000 ] - [ -0.0002259400000000, 0.0000047000000000, 0.0000119800000000 ] - [ 0.0000451400000000, 0.0003121100000000, -0.0007158600000000 ] - [ -0.0002457500000000, 0.0000059500000000, 0.0000443700000000 ] - [ 0.0007959900000000, 0.0003035000000000, 0.0000569900000000 ] - [ -0.0003080200000000, 0.0000009600000000, -0.0000745200000000 ] - [ -0.0002309400000000, 0.0004848100000000, 0.0005024500000000 ] - [ -0.0002461600000000, 0.0000018400000000, 0.0000105400000000 ] - [ -0.0004344300000000, -0.0003177000000000, -0.0005121300000000 ] - [ -0.0002123800000000, -0.0000004800000000, -0.0000102500000000 ] - [ -0.0004140500000000, -0.0005047400000000, 0.0004838100000000 ] - [ -0.0001834400000000, -0.0000021900000000, 0.0000606900000000 ] - [ 0.0017799900000000, 0.0008377000000000, -0.0016977400000000 ] - [ -0.0002369800000000, -0.0000052500000000, -0.0000469400000000 ] - [ 0.0008174800000000, -0.0003871100000000, 0.0006856000000000 ] - [ -0.0002417100000000, -0.0000060000000000, -0.0000101000000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0223287600000000, 0.0509018800000000, -0.0223064300000000 ] - [ -0.0000732500000000, 0.0000751500000000, -0.0000348600000000 ] - [ 0.0002207100000000, 0.0003268200000000, 0.0000425900000000 ] - [ -0.0000748200000000, 0.0000733600000000, -0.0000274700000000 ] - [ -0.0024583600000000, 0.0002954500000000, -0.0008788600000000 ] - [ -0.0001409700000000, -0.0001023200000000, -0.0001529300000000 ] - [ 0.0001876100000000, -0.0000731100000000, 0.0003025600000000 ] - [ -0.0001364100000000, -0.0000993000000000, -0.0001381100000000 ] - [ 0.0001522600000000, 0.0003472800000000, 0.0000742600000000 ] - [ -0.0001541300000000, 0.0001106300000000, 0.0001531600000000 ] - [ -0.0047112900000000, 0.0019932000000000, 0.0045992600000000 ] - [ -0.0001386800000000, 0.0001101300000000, 0.0001488000000000 ] - [ -0.0000038900000000, 0.0009298800000000, -0.0016459200000000 ] - [ -0.0000729900000000, -0.0000730500000000, 0.0000302100000000 ] - [ 0.0008724300000000, 0.0002791600000000, 0.0035447100000000 ] - [ -0.0000756200000000, -0.0000732400000000, 0.0000317400000000 ] - [ 0.0060639300000000, -0.0023854500000000, -0.0029283900000000 ] - [ -0.0001639600000000, 0.0000002200000000, -0.0001215200000000 ] - [ 0.0002363800000000, 0.0001247600000000, 0.0002036900000000 ] - [ -0.0001594800000000, -0.0000000400000000, -0.0001133400000000 ] - [ -0.0000222300000000, 0.0000188000000000, -0.0001282100000000 ] - [ 0.0001003200000000, 0.0000432200000000, -0.0001508300000000 ] - [ -0.0001333500000000, -0.0000009500000000, 0.0001422800000000 ] - [ -0.0000231500000000, -0.0000065300000000, -0.0000031800000000 ] - [ 0.0010161100000000, 0.0000907700000000, 0.0012488400000000 ] - [ 0.0000063100000000, 0.0000003300000000, 0.0000573600000000 ] - [ 0.0031040000000000, -0.0019909900000000, -0.0050677000000000 ] - [ 0.0000072700000000, 0.0000006800000000, 0.0000566100000000 ] - [ -0.0016975500000000, 0.0001845500000000, 0.0012677400000000 ] - [ -0.0001431400000000, 0.0000032400000000, 0.0001239800000000 ] - [ -0.0002574700000000, 0.0000169700000000, -0.0000259400000000 ] - [ -0.0001658500000000, 0.0000303400000000, 0.0001000200000000 ] - [ -0.0002619000000000, -0.0008008800000000, -0.0001129300000000 ] - [ -0.0001424900000000, 0.0001024900000000, -0.0001535500000000 ] - [ 0.0002387300000000, -0.0000086100000000, 0.0001613800000000 ] - [ -0.0001377300000000, 0.0000996700000000, -0.0001397900000000 ] - [ 0.0019997900000000, -0.0067695700000000, -0.0019642500000000 ] - [ -0.0000710600000000, -0.0000753200000000, -0.0000353100000000 ] - [ 0.0001981000000000, -0.0002598300000000, -0.0000415900000000 ] - [ -0.0000748300000000, -0.0000735900000000, -0.0000274000000000 ] - [ 0.0001588900000000, -0.0008276500000000, 0.0000340300000000 ] - [ -0.0000724200000000, 0.0000730100000000, 0.0000306200000000 ] - [ 0.0002638500000000, -0.0007304800000000, 0.0003933100000000 ] - [ -0.0000741900000000, 0.0000729900000000, 0.0000313900000000 ] - [ 0.0002134500000000, -0.0002599400000000, 0.0001112000000000 ] - [ -0.0001518100000000, -0.0001100800000000, 0.0001509200000000 ] - [ 0.0002347500000000, -0.0002232000000000, -0.0001248900000000 ] - [ -0.0001396100000000, -0.0001099800000000, 0.0001489800000000 ] - [ -0.0000256900000000, 0.0000223400000000, -0.0000741700000000 ] - [ -0.0000186300000000, 0.0000225000000000, -0.0000819500000000 ] - [ -0.0000593400000000, 0.0000669700000000, -0.0000128800000000 ] - [ -0.0000999900000000, 0.0000674900000000, 0.0000525000000000 ] - [ -0.0007140200000000, -0.0011717500000000, -0.0006143000000000 ] - [ -0.0001410800000000, -0.0001096800000000, -0.0001599500000000 ] - [ 0.0000344000000000, -0.0002285600000000, 0.0000658500000000 ] - [ -0.0001246000000000, -0.0000987700000000, -0.0001260800000000 ] - [ 0.0002821500000000, -0.0012918800000000, -0.0005480100000000 ] - [ -0.0001256400000000, 0.0001006900000000, 0.0001413200000000 ] - [ 0.0001411400000000, -0.0001215100000000, -0.0000386600000000 ] - [ -0.0001438400000000, 0.0000999400000000, 0.0001459700000000 ] - [ -0.0001237400000000, -0.0001521300000000, 0.0000442400000000 ] - [ 0.0000527100000000, -0.0001522000000000, 0.0001161100000000 ] - [ -0.0000816000000000, -0.0000794200000000, 0.0000091100000000 ] - [ -0.0000644200000000, -0.0000796500000000, -0.0000044200000000 ] - [ 0.0005384300000000, -0.0000344500000000, 0.0002773200000000 ] - [ -0.0001704800000000, -0.0000285700000000, -0.0001278500000000 ] - [ 0.0000714600000000, 0.0000030200000000, 0.0000463400000000 ] - [ -0.0001533700000000, -0.0000030400000000, -0.0001034800000000 ] - [ -0.0082439900000000, -0.0241066700000000, 0.0071664200000000 ] - [ 0.0000097300000000, -0.0000005300000000, -0.0000588900000000 ] - [ 0.0001329400000000, -0.0001414500000000, -0.0000282900000000 ] - [ 0.0000080900000000, 0.0000000300000000, -0.0000555500000000 ] - [ 0.0000288700000000, -0.0000000100000000, 0.0000456700000000 ] - [ 0.0000044500000000, -0.0000005200000000, 0.0000523000000000 ] - [ 0.0001376200000000, -0.0000184200000000, 0.0001204000000000 ] - [ -0.0000352600000000, -0.0000469600000000, 0.0000357900000000 ] - [ 0.0000107300000000, -0.0001380100000000, -0.0001041900000000 ] - [ -0.0001564600000000, -0.0000003500000000, 0.0001132100000000 ] - [ -0.0003794900000000, -0.0001360900000000, 0.0003718200000000 ] - [ -0.0001528800000000, -0.0000006600000000, 0.0001111800000000 ] - [ -0.0008605800000000, 0.0016815900000000, -0.0007123300000000 ] - [ -0.0001738500000000, 0.0001238500000000, -0.0001818200000000 ] - [ 0.0000647000000000, 0.0002233200000000, 0.0000731000000000 ] - [ -0.0001272400000000, 0.0000998500000000, -0.0001240500000000 ] - [ -0.0000186000000000, -0.0000306300000000, -0.0000881300000000 ] - [ -0.0001826500000000, -0.0000310300000000, -0.0000873600000000 ] - [ -0.0000705400000000, -0.0000601900000000, 0.0000040400000000 ] - [ -0.0000977500000000, -0.0000597800000000, 0.0000456400000000 ] - [ -0.0001275600000000, 0.0001535100000000, 0.0000393900000000 ] - [ 0.0000496400000000, 0.0001536100000000, 0.0001180900000000 ] - [ -0.0000710600000000, 0.0000821900000000, 0.0000125600000000 ] - [ -0.0003187500000000, 0.0000824500000000, -0.0000310300000000 ] - [ 0.0001490000000000, 0.0007021900000000, -0.0001600400000000 ] - [ -0.0001291000000000, -0.0001021900000000, 0.0001406600000000 ] - [ 0.0003581200000000, 0.0001471900000000, -0.0000341600000000 ] - [ -0.0001770900000000, -0.0001129000000000, 0.0001656000000000 ] - [ -0.0009801000000000, 0.0010597700000000, -0.0006636000000000 ] - [ 0.0003540300000000, 0.0000064700000000, -0.0000121500000000 ] - [ -0.0016336900000000, 0.0099729600000000, 0.0009926100000000 ] - [ 0.0003439100000000, 0.0000063400000000, 0.0000060700000000 ] - [ -0.0005113300000000, -0.0012157200000000, -0.0004106000000000 ] - [ 0.0003549900000000, -0.0000055500000000, -0.0000105300000000 ] - [ -0.0125421600000000, -0.0203691600000000, 0.0122919800000000 ] - [ 0.0003467900000000, -0.0000055100000000, 0.0000075900000000 ] - [ 0.0002900500000000, -0.0008191800000000, -0.0003976500000000 ] - [ 0.0002696700000000, -0.0000211700000000, -0.0001229000000000 ] - [ 0.0001890200000000, -0.0008269700000000, 0.0005589100000000 ] - [ 0.0005780700000000, -0.0000582600000000, 0.0001381400000000 ] - [ 0.0003540600000000, 0.0007997800000000, -0.0003975000000000 ] - [ 0.0002564800000000, 0.0000218200000000, -0.0001263100000000 ] - [ 0.0003831600000000, 0.0007725900000000, 0.0004225100000000 ] - [ 0.0003101700000000, 0.0000676800000000, 0.0000971600000000 ] - [ -0.0023549000000000, -0.0050253100000000, 0.0037027900000000 ] - [ 0.0002206700000000, -0.0000047900000000, 0.0000444100000000 ] - [ -0.0000272300000000, -0.0003031300000000, 0.0007793300000000 ] - [ 0.0002393900000000, -0.0000051100000000, 0.0000114100000000 ] - [ -0.0008022300000000, -0.0002935900000000, -0.0001216400000000 ] - [ 0.0003007900000000, -0.0000010200000000, 0.0000189200000000 ] - [ 0.0002261700000000, -0.0004783200000000, -0.0005478000000000 ] - [ 0.0002406200000000, -0.0000010700000000, -0.0000684800000000 ] - [ 0.0004306800000000, 0.0003068100000000, 0.0005595300000000 ] - [ 0.0002043700000000, 0.0000007600000000, 0.0000674400000000 ] - [ 0.0004068700000000, 0.0004981300000000, -0.0004167500000000 ] - [ 0.0001784100000000, 0.0000015400000000, -0.0000043100000000 ] - [ -0.0016683900000000, -0.0010154100000000, 0.0015667100000000 ] - [ 0.0002317900000000, 0.0000052000000000, -0.0000099100000000 ] - [ -0.0008016200000000, 0.0003794600000000, -0.0007310700000000 ] - [ 0.0002355700000000, 0.0000044700000000, -0.0000475800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0560591800000000, 0.0225393900000000, -0.0735353000000000 ] - [ -0.0003694600000000, 0.0000343200000000, 0.0001143300000000 ] - [ -0.0002348600000000, -0.0000428600000000, 0.0020713700000000 ] - [ -0.0003710400000000, 0.0000270300000000, 0.0001430200000000 ] - [ -0.0030346500000000, -0.0008881600000000, -0.0065692900000000 ] - [ -0.0004570700000000, -0.0001530300000000, -0.0003421900000000 ] - [ 0.0016155500000000, 0.0003048100000000, 0.0022502300000000 ] - [ -0.0004168400000000, -0.0001397400000000, -0.0002719900000000 ] - [ 0.0015997000000000, 0.0000716300000000, -0.0002830400000000 ] - [ -0.0004756900000000, 0.0001534500000000, 0.0003262600000000 ] - [ -0.0085156500000000, 0.0046349800000000, 0.0094478800000000 ] - [ -0.0004066200000000, 0.0001498200000000, 0.0002944900000000 ] - [ 0.0032740400000000, 0.0016197700000000, 0.0095238800000000 ] - [ -0.0003643000000000, -0.0000299500000000, -0.0001305900000000 ] - [ 0.0035703500000000, -0.0035972900000000, 0.0105779900000000 ] - [ -0.0003758400000000, -0.0000304700000000, -0.0001262800000000 ] - [ -0.0020398900000000, 0.0037313800000000, -0.0033012000000000 ] - [ -0.0003793100000000, 0.0000001000000000, -0.0002159100000000 ] - [ 0.0009284000000000, -0.0002334300000000, 0.0011598700000000 ] - [ -0.0003525000000000, 0.0000003400000000, -0.0001747500000000 ] - [ -0.0001876800000000, -0.0000372300000000, -0.0003117100000000 ] - [ -0.0001257800000000, 0.0000664900000000, -0.0001596800000000 ] - [ -0.0003190800000000, 0.0000105500000000, 0.0004289000000000 ] - [ -0.0002880300000000, -0.0000233500000000, 0.0002019600000000 ] - [ 0.0019933700000000, -0.0009076200000000, 0.0024056900000000 ] - [ -0.0002004700000000, 0.0000004500000000, -0.0000188300000000 ] - [ -0.0012480400000000, 0.0089398300000000, 0.0064721400000000 ] - [ -0.0001982100000000, 0.0000007800000000, -0.0000256700000000 ] - [ -0.0021565800000000, 0.0003082200000000, 0.0018414100000000 ] - [ -0.0003048500000000, -0.0000028900000000, 0.0002032700000000 ] - [ 0.0004914900000000, 0.0000449900000000, -0.0005957900000000 ] - [ -0.0004297300000000, 0.0000468900000000, 0.0001825200000000 ] - [ -0.0006301200000000, 0.0001106900000000, -0.0013532700000000 ] - [ -0.0004566100000000, 0.0001536400000000, -0.0003429200000000 ] - [ 0.0012080300000000, -0.0001637400000000, 0.0013794900000000 ] - [ -0.0004197500000000, 0.0001403800000000, -0.0002739100000000 ] - [ 0.0037159800000000, -0.0019915000000000, -0.0046259500000000 ] - [ -0.0003654700000000, -0.0000343400000000, 0.0001130700000000 ] - [ -0.0000309100000000, -0.0000401100000000, 0.0010943500000000 ] - [ -0.0003714700000000, -0.0000269300000000, 0.0001431600000000 ] - [ 0.0020179400000000, 0.0000447500000000, 0.0016386800000000 ] - [ -0.0003645000000000, 0.0000301500000000, -0.0001304500000000 ] - [ 0.0014755500000000, 0.0003879600000000, 0.0007667900000000 ] - [ -0.0003729900000000, 0.0000306500000000, -0.0001264200000000 ] - [ 0.0010456300000000, -0.0001103800000000, -0.0004649600000000 ] - [ -0.0004745000000000, -0.0001525700000000, 0.0003242700000000 ] - [ -0.0005807600000000, 0.0001314200000000, 0.0003515800000000 ] - [ -0.0004051400000000, -0.0001491600000000, 0.0002940000000000 ] - [ -0.0002250000000000, 0.0000823400000000, -0.0001557100000000 ] - [ -0.0002270500000000, 0.0000732900000000, -0.0001553500000000 ] - [ -0.0004762400000000, -0.0000554500000000, 0.0004126900000000 ] - [ -0.0003862400000000, 0.0000131500000000, 0.0004116800000000 ] - [ -0.0014415100000000, -0.0006188400000000, -0.0021925400000000 ] - [ -0.0004928000000000, -0.0001613200000000, -0.0003838600000000 ] - [ 0.0008387700000000, 0.0000698400000000, 0.0011432200000000 ] - [ -0.0003646400000000, -0.0001257700000000, -0.0002221100000000 ] - [ -0.0019157400000000, -0.0005320300000000, 0.0019417500000000 ] - [ -0.0003633700000000, 0.0001426600000000, 0.0002660200000000 ] - [ 0.0009838500000000, -0.0000423900000000, -0.0006949700000000 ] - [ -0.0004904500000000, 0.0001473900000000, 0.0003376800000000 ] - [ -0.0004983800000000, -0.0001151600000000, -0.0000489600000000 ] - [ -0.0000471000000000, -0.0000433600000000, -0.0000495100000000 ] - [ -0.0002391800000000, 0.0000060200000000, -0.0001906800000000 ] - [ -0.0005673700000000, -0.0000081100000000, -0.0001902100000000 ] - [ -0.0006444500000000, 0.0000355300000000, -0.0009248600000000 ] - [ -0.0004100100000000, -0.0000420800000000, -0.0002531100000000 ] - [ 0.0003623100000000, 0.0000064900000000, 0.0006740500000000 ] - [ -0.0003118800000000, 0.0000025500000000, -0.0001346700000000 ] - [ 0.0010470000000000, -0.0076362700000000, -0.0046107300000000 ] - [ -0.0001946300000000, -0.0000003300000000, 0.0000121900000000 ] - [ 0.0003144700000000, 0.0003506300000000, 0.0010362100000000 ] - [ -0.0001997600000000, 0.0000002200000000, 0.0000307900000000 ] - [ -0.0003157500000000, -0.0000146000000000, 0.0001610600000000 ] - [ -0.0000563900000000, 0.0000123500000000, 0.0000537700000000 ] - [ -0.0000062800000000, 0.0000069900000000, -0.0001901300000000 ] - [ -0.0003150300000000, -0.0000753000000000, -0.0000817400000000 ] - [ 0.0009384400000000, 0.0004265600000000, 0.0001692700000000 ] - [ -0.0003767900000000, -0.0000002900000000, 0.0002056100000000 ] - [ -0.0009772600000000, -0.0057759600000000, 0.0010009300000000 ] - [ -0.0003492000000000, 0.0000000200000000, 0.0001799600000000 ] - [ -0.0026134400000000, 0.0007143300000000, -0.0030635600000000 ] - [ -0.0005420900000000, 0.0001834800000000, -0.0004197100000000 ] - [ 0.0007717600000000, -0.0000745000000000, 0.0011173300000000 ] - [ -0.0003608000000000, 0.0001243600000000, -0.0002133000000000 ] - [ -0.0002368500000000, -0.0000872200000000, -0.0001691000000000 ] - [ -0.0004268300000000, -0.0000882100000000, -0.0001697500000000 ] - [ -0.0004610400000000, 0.0000460000000000, 0.0003988200000000 ] - [ -0.0003446800000000, 0.0000061700000000, 0.0004015900000000 ] - [ -0.0004938700000000, 0.0001183000000000, -0.0000444500000000 ] - [ 0.0000187800000000, 0.0000394700000000, -0.0000455500000000 ] - [ -0.0002696700000000, -0.0000324700000000, -0.0002395600000000 ] - [ -0.0009938300000000, 0.0000111800000000, -0.0002393900000000 ] - [ -0.0015598900000000, 0.0001531500000000, 0.0014203200000000 ] - [ -0.0003598800000000, -0.0001412700000000, 0.0002604400000000 ] - [ 0.0016427800000000, 0.0000377700000000, -0.0008091400000000 ] - [ -0.0005396900000000, -0.0001658400000000, 0.0003659200000000 ] - [ -0.0038992900000000, 0.0007640800000000, -0.0037328800000000 ] - [ 0.0013220700000000, 0.0000000500000000, -0.0000551800000000 ] - [ -0.0031113000000000, -0.0006277100000000, 0.0053846800000000 ] - [ 0.0012966500000000, 0.0000063500000000, 0.0000501200000000 ] - [ -0.0066795900000000, -0.0001775400000000, -0.0082479300000000 ] - [ 0.0013204700000000, 0.0000003600000000, -0.0000533700000000 ] - [ -0.0393716000000000, -0.0158878900000000, 0.0489474300000000 ] - [ 0.0013032000000000, -0.0000049900000000, 0.0000525500000000 ] - [ 0.0016333600000000, -0.0006694100000000, -0.0026337000000000 ] - [ 0.0008768900000000, 0.0000384100000000, -0.0003479700000000 ] - [ 0.0005006600000000, -0.0001770500000000, 0.0032468800000000 ] - [ 0.0019281000000000, 0.0000067100000000, 0.0004398400000000 ] - [ 0.0017658000000000, 0.0006354500000000, -0.0027998000000000 ] - [ 0.0009290500000000, -0.0000420300000000, -0.0003349100000000 ] - [ 0.0005873900000000, 0.0000055000000000, 0.0024733700000000 ] - [ 0.0015170400000000, 0.0000171500000000, 0.0003356100000000 ] - [ -0.0022018400000000, -0.0023479600000000, 0.0052313700000000 ] - [ 0.0008401800000000, -0.0000055800000000, 0.0001082700000000 ] - [ -0.0038951800000000, -0.0011497800000000, -0.0030435800000000 ] - [ 0.0008972500000000, -0.0000069600000000, -0.0000537100000000 ] - [ -0.0001268600000000, -0.0001377900000000, 0.0020001300000000 ] - [ 0.0010164500000000, 0.0000029800000000, 0.0001266200000000 ] - [ 0.0011700000000000, -0.0008188100000000, -0.0025161900000000 ] - [ 0.0007576800000000, -0.0000009400000000, -0.0001826000000000 ] - [ -0.0003136600000000, 0.0001579100000000, 0.0017388400000000 ] - [ 0.0010012900000000, -0.0000017800000000, 0.0001430800000000 ] - [ 0.0016815500000000, 0.0008550500000000, -0.0021223400000000 ] - [ 0.0006956700000000, 0.0000016300000000, -0.0000855100000000 ] - [ 0.0005475700000000, -0.0033353700000000, 0.0025848200000000 ] - [ 0.0008638700000000, 0.0000065300000000, 0.0000576300000000 ] - [ -0.0028163500000000, 0.0009534500000000, -0.0030759900000000 ] - [ 0.0008696000000000, 0.0000064000000000, -0.0001147100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0539779400000000, -0.0219310700000000, 0.0719982000000000 ] - [ 0.0004378600000000, 0.0001451300000000, -0.0002925500000000 ] - [ 0.0003095500000000, 0.0002254300000000, -0.0022567000000000 ] - [ 0.0004399600000000, 0.0001524000000000, -0.0003216900000000 ] - [ 0.0029789600000000, 0.0007129500000000, 0.0063407000000000 ] - [ 0.0003861000000000, -0.0000264600000000, 0.0001615800000000 ] - [ -0.0016894500000000, -0.0004859700000000, -0.0024319600000000 ] - [ 0.0003488100000000, -0.0000390700000000, 0.0000945800000000 ] - [ -0.0016782600000000, 0.0001102200000000, 0.0004723600000000 ] - [ 0.0004035700000000, 0.0000270600000000, -0.0001434000000000 ] - [ 0.0084230300000000, -0.0044260500000000, -0.0091972700000000 ] - [ 0.0003361400000000, 0.0000301600000000, -0.0001133500000000 ] - [ -0.0032193500000000, -0.0018512000000000, -0.0094878100000000 ] - [ 0.0004318900000000, -0.0001489000000000, 0.0003090900000000 ] - [ -0.0034791400000000, 0.0033563800000000, -0.0102448400000000 ] - [ 0.0004451000000000, -0.0001480900000000, 0.0003065700000000 ] - [ 0.0019321800000000, -0.0037582100000000, 0.0030900900000000 ] - [ 0.0002135200000000, -0.0000003100000000, 0.0000441300000000 ] - [ -0.0010959600000000, 0.0002383000000000, -0.0013326500000000 ] - [ 0.0001865100000000, -0.0000001700000000, 0.0000023200000000 ] - [ 0.0003521600000000, 0.0000342000000000, 0.0001398300000000 ] - [ 0.0002936800000000, -0.0000664500000000, -0.0000122100000000 ] - [ 0.0004900000000000, -0.0000104800000000, -0.0006045600000000 ] - [ 0.0004543600000000, 0.0000228700000000, -0.0003737900000000 ] - [ -0.0018333700000000, 0.0009180700000000, -0.0022399400000000 ] - [ 0.0003645400000000, 0.0000003400000000, 0.0001903100000000 ] - [ 0.0013724300000000, -0.0088126300000000, -0.0062043500000000 ] - [ 0.0003632900000000, -0.0000003900000000, 0.0001982700000000 ] - [ 0.0019999600000000, -0.0003124900000000, -0.0016779500000000 ] - [ 0.0001367800000000, 0.0000034400000000, -0.0000310000000000 ] - [ -0.0006606500000000, -0.0000480900000000, 0.0007636900000000 ] - [ 0.0002619300000000, -0.0000462300000000, -0.0000103200000000 ] - [ 0.0005719500000000, 0.0000646700000000, 0.0011803000000000 ] - [ 0.0003828500000000, 0.0000272700000000, 0.0001601700000000 ] - [ -0.0012781200000000, 0.0003424200000000, -0.0015587500000000 ] - [ 0.0003479600000000, 0.0000397100000000, 0.0000931300000000 ] - [ -0.0036437200000000, 0.0017808800000000, 0.0044501400000000 ] - [ 0.0004348400000000, -0.0001452500000000, -0.0002929100000000 ] - [ 0.0001041000000000, -0.0001393500000000, -0.0012783900000000 ] - [ 0.0004398700000000, -0.0001523800000000, -0.0003217700000000 ] - [ -0.0019463900000000, 0.0001402200000000, -0.0014512800000000 ] - [ 0.0004326400000000, 0.0001490700000000, 0.0003097800000000 ] - [ -0.0014049200000000, -0.0002062700000000, -0.0005969900000000 ] - [ 0.0004408400000000, 0.0001481400000000, 0.0003058900000000 ] - [ -0.0011195500000000, -0.0000692300000000, 0.0006514400000000 ] - [ 0.0004059900000000, -0.0000263300000000, -0.0001455500000000 ] - [ 0.0005182200000000, -0.0003115700000000, -0.0001847500000000 ] - [ 0.0003354500000000, -0.0000297400000000, -0.0001135300000000 ] - [ 0.0002926100000000, 0.0000970800000000, -0.0000225100000000 ] - [ 0.0002977200000000, 0.0001058800000000, -0.0000237000000000 ] - [ 0.0005465200000000, 0.0002349700000000, -0.0005917900000000 ] - [ 0.0004571500000000, 0.0001673200000000, -0.0005933100000000 ] - [ 0.0013716700000000, 0.0004406500000000, 0.0020226700000000 ] - [ 0.0004232300000000, -0.0000179600000000, 0.0002051400000000 ] - [ -0.0009098200000000, -0.0002500100000000, -0.0013264800000000 ] - [ 0.0002916300000000, -0.0000540000000000, 0.0000401600000000 ] - [ 0.0018501900000000, 0.0007266300000000, -0.0017616900000000 ] - [ 0.0002936800000000, 0.0000365800000000, -0.0000861300000000 ] - [ -0.0010549000000000, 0.0002223900000000, 0.0008735900000000 ] - [ 0.0004225100000000, 0.0000317400000000, -0.0001587400000000 ] - [ 0.0005717200000000, -0.0000639600000000, 0.0002319900000000 ] - [ 0.0001183500000000, -0.0001363300000000, 0.0002320100000000 ] - [ 0.0003056500000000, -0.0001848200000000, 0.0003683400000000 ] - [ 0.0006370700000000, -0.0001709500000000, 0.0003696800000000 ] - [ 0.0004737900000000, -0.0000292400000000, 0.0007513700000000 ] - [ 0.0002439200000000, 0.0000421900000000, 0.0000808500000000 ] - [ -0.0005251900000000, -0.0000055300000000, -0.0008442500000000 ] - [ 0.0001454000000000, -0.0000022200000000, -0.0000371200000000 ] - [ -0.0008255300000000, 0.0077349100000000, 0.0043589700000000 ] - [ 0.0003612400000000, 0.0000008600000000, -0.0001830900000000 ] - [ -0.0001459000000000, -0.0003567200000000, -0.0012129000000000 ] - [ 0.0003676200000000, 0.0000001400000000, -0.0002038300000000 ] - [ 0.0004825700000000, 0.0000153200000000, 0.0000124900000000 ] - [ 0.0002214000000000, -0.0000116400000000, 0.0001192100000000 ] - [ 0.0001702300000000, -0.0000044400000000, 0.0003628200000000 ] - [ 0.0004793400000000, 0.0000755200000000, 0.0002540300000000 ] - [ -0.0011093100000000, -0.0004310900000000, 0.0000057400000000 ] - [ 0.0002096600000000, -0.0000000900000000, -0.0000338600000000 ] - [ 0.0008128800000000, 0.0057284700000000, -0.0008239900000000 ] - [ 0.0001805500000000, 0.0000001100000000, -0.0000058500000000 ] - [ 0.0024941500000000, -0.0005369600000000, 0.0028890800000000 ] - [ 0.0004709000000000, -0.0000033400000000, 0.0002400600000000 ] - [ -0.0008372400000000, 0.0002532500000000, -0.0012959100000000 ] - [ 0.0002881100000000, 0.0000557900000000, 0.0000320300000000 ] - [ 0.0002992400000000, -0.0000905000000000, -0.0000061800000000 ] - [ 0.0004964200000000, -0.0000902200000000, -0.0000083200000000 ] - [ 0.0005339500000000, -0.0002259800000000, -0.0005812800000000 ] - [ 0.0004103000000000, -0.0001850400000000, -0.0005791800000000 ] - [ 0.0005660000000000, 0.0000613900000000, 0.0002269200000000 ] - [ 0.0000497800000000, 0.0001406600000000, 0.0002265700000000 ] - [ 0.0003344800000000, 0.0002106400000000, 0.0004165100000000 ] - [ 0.0010611200000000, 0.0001683700000000, 0.0004180100000000 ] - [ 0.0014952100000000, -0.0003362800000000, -0.0012383500000000 ] - [ 0.0002889700000000, -0.0000378300000000, -0.0000798400000000 ] - [ -0.0017130900000000, -0.0002153800000000, 0.0009813400000000 ] - [ 0.0004683500000000, -0.0000134200000000, -0.0001844000000000 ] - [ 0.0039053100000000, -0.0007679900000000, 0.0037305600000000 ] - [ -0.0013201300000000, 0.0000009100000000, 0.0000545100000000 ] - [ 0.0030772700000000, 0.0006329400000000, -0.0053103700000000 ] - [ -0.0012980800000000, -0.0000057900000000, -0.0000538300000000 ] - [ 0.0067143400000000, 0.0001751700000000, 0.0082690200000000 ] - [ -0.0013190800000000, -0.0000005400000000, 0.0000561600000000 ] - [ 0.0370718900000000, 0.0151950900000000, -0.0474342600000000 ] - [ -0.0013030900000000, 0.0000068100000000, -0.0000528200000000 ] - [ -0.0016390100000000, 0.0006772100000000, 0.0026370900000000 ] - [ -0.0008710100000000, -0.0000374600000000, 0.0003498900000000 ] - [ -0.0004675900000000, 0.0001694200000000, -0.0032237900000000 ] - [ -0.0019281100000000, -0.0000089800000000, -0.0004344400000000 ] - [ -0.0017789300000000, -0.0006421800000000, 0.0028037400000000 ] - [ -0.0009238600000000, 0.0000420000000000, 0.0003313300000000 ] - [ -0.0005817900000000, -0.0000036300000000, -0.0024705700000000 ] - [ -0.0015143300000000, -0.0000148200000000, -0.0003336100000000 ] - [ 0.0024241700000000, 0.0025817000000000, -0.0054177300000000 ] - [ -0.0008381100000000, 0.0000058900000000, -0.0000520400000000 ] - [ 0.0038855300000000, 0.0011450800000000, 0.0031206800000000 ] - [ -0.0008959700000000, 0.0000079200000000, 0.0001091500000000 ] - [ 0.0001152500000000, 0.0001367400000000, -0.0020684800000000 ] - [ -0.0010154300000000, -0.0000024900000000, -0.0001832200000000 ] - [ -0.0011626200000000, 0.0008129900000000, 0.0024633900000000 ] - [ -0.0007576000000000, 0.0000020900000000, 0.0001280700000000 ] - [ 0.0003109600000000, -0.0001576700000000, -0.0016917400000000 ] - [ -0.0010019900000000, 0.0000023300000000, -0.0000886100000000 ] - [ -0.0016740900000000, -0.0008477900000000, 0.0021811700000000 ] - [ -0.0006944100000000, -0.0000017700000000, 0.0001436300000000 ] - [ -0.0005069900000000, 0.0032806300000000, -0.0027155400000000 ] - [ -0.0008617600000000, -0.0000060700000000, -0.0001132100000000 ] - [ 0.0028025600000000, -0.0009442900000000, 0.0030287100000000 ] - [ -0.0008678400000000, -0.0000073200000000, 0.0000579700000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0068191100000000, -0.0061556000000000, -0.0020922200000000 ] - [ 0.0005772800000000, 0.0001721100000000, -0.0003846800000000 ] - [ -0.0010054000000000, -0.0002300500000000, 0.0009198800000000 ] - [ 0.0005329600000000, 0.0001677900000000, -0.0003578000000000 ] - [ -0.0045896700000000, 0.0081102500000000, -0.0010171900000000 ] - [ 0.0004905500000000, -0.0000162200000000, 0.0001866500000000 ] - [ -0.0008681700000000, -0.0001398200000000, -0.0003204900000000 ] - [ 0.0004753700000000, -0.0000136300000000, 0.0001939700000000 ] - [ -0.0023450600000000, 0.0010243100000000, 0.0019961300000000 ] - [ 0.0004778900000000, 0.0000136300000000, -0.0001920400000000 ] - [ -0.0037810400000000, 0.0031298000000000, -0.0012359900000000 ] - [ 0.0004914400000000, 0.0000139300000000, -0.0001902800000000 ] - [ -0.0010655100000000, 0.0000055100000000, -0.0009328000000000 ] - [ 0.0005569300000000, -0.0001640700000000, 0.0003812200000000 ] - [ 0.0005059800000000, -0.0003899800000000, 0.0009711700000000 ] - [ 0.0005406100000000, -0.0001596800000000, 0.0003529700000000 ] - [ -0.0726141800000000, 0.0000000000000000, -0.0429323100000000 ] - [ 0.0002872900000000, 0.0000000000000000, 0.0000507300000000 ] - [ -0.0008370000000000, 0.0000000000000000, -0.0000663600000000 ] - [ 0.0002758600000000, 0.0000000000000000, 0.0000562300000000 ] - [ 0.0005168100000000, 0.0000000000000000, -0.0002423500000000 ] - [ 0.0015748100000000, 0.0000000000000000, -0.0011177200000000 ] - [ 0.0004025100000000, 0.0000000000000000, -0.0002077300000000 ] - [ 0.0000055400000000, 0.0000000000000000, 0.0002519300000000 ] - [ -0.0008054500000000, 0.0000000000000000, -0.0003638400000000 ] - [ 0.0004515000000000, 0.0000000000000000, 0.0002355400000000 ] - [ 0.0189811700000000, 0.0000000000000000, 0.0281140100000000 ] - [ 0.0004409200000000, 0.0000000000000000, 0.0002162400000000 ] - [ 0.0003003900000000, 0.0000000000000000, -0.0001378900000000 ] - [ 0.0002999800000000, 0.0000000000000000, 0.0001550600000000 ] - [ 0.0003697200000000, 0.0000000000000000, -0.0000399500000000 ] - [ 0.0003686200000000, 0.0000000000000000, -0.0002934900000000 ] - [ -0.0045896700000000, -0.0081102500000000, -0.0010171900000000 ] - [ 0.0004905500000000, 0.0000162200000000, 0.0001866500000000 ] - [ -0.0008681700000000, 0.0001398200000000, -0.0003204900000000 ] - [ 0.0004753700000000, 0.0000136300000000, 0.0001939700000000 ] - [ 0.0068191100000000, 0.0061556000000000, -0.0020922200000000 ] - [ 0.0005772800000000, -0.0001721100000000, -0.0003846800000000 ] - [ -0.0010054000000000, 0.0002300500000000, 0.0009198800000000 ] - [ 0.0005329600000000, -0.0001677900000000, -0.0003578000000000 ] - [ -0.0010655100000000, -0.0000055100000000, -0.0009328000000000 ] - [ 0.0005569300000000, 0.0001640700000000, 0.0003812200000000 ] - [ 0.0005059800000000, 0.0003899800000000, 0.0009711700000000 ] - [ 0.0005406100000000, 0.0001596800000000, 0.0003529700000000 ] - [ -0.0023450600000000, -0.0010243100000000, 0.0019961300000000 ] - [ 0.0004778900000000, -0.0000136300000000, -0.0001920400000000 ] - [ -0.0037810400000000, -0.0031298000000000, -0.0012359900000000 ] - [ 0.0004914400000000, -0.0000139300000000, -0.0001902800000000 ] - [ 0.0006121200000000, 0.0001784600000000, -0.0004150500000000 ] - [ 0.0007550800000000, -0.0005238300000000, -0.0006450500000000 ] - [ 0.0004830300000000, 0.0001617900000000, -0.0003169100000000 ] - [ -0.0003867000000000, -0.0000629200000000, 0.0003492100000000 ] - [ 0.0007909800000000, 0.0000159400000000, 0.0001801800000000 ] - [ 0.0005483300000000, -0.0001059000000000, 0.0001205600000000 ] - [ 0.0003409000000000, 0.0001291000000000, 0.0003147800000000 ] - [ 0.0004599300000000, 0.0000170000000000, 0.0002788300000000 ] - [ 0.0003562700000000, 0.0000355200000000, -0.0003097100000000 ] - [ 0.0004147900000000, 0.0000115500000000, -0.0000495100000000 ] - [ 0.0004375200000000, 0.0001445700000000, 0.0000030100000000 ] - [ 0.0004969300000000, -0.0000284700000000, -0.0003065900000000 ] - [ 0.0004899700000000, -0.0001503000000000, 0.0003096300000000 ] - [ 0.0016006900000000, -0.0017008400000000, 0.0021541100000000 ] - [ 0.0006203700000000, -0.0001737000000000, 0.0004341800000000 ] - [ -0.0001203400000000, -0.0002630800000000, -0.0004819700000000 ] - [ 0.0002778000000000, 0.0000000000000000, 0.0000292100000000 ] - [ 0.0002781100000000, 0.0000000000000000, -0.0000406100000000 ] - [ 0.0001414200000000, 0.0000000000000000, 0.0000036500000000 ] - [ 0.0001415300000000, 0.0000000000000000, 0.0001110000000000 ] - [ -0.0004715200000000, 0.0000000000000000, -0.0009711700000000 ] - [ 0.0004511000000000, 0.0000000000000000, -0.0002302500000000 ] - [ -0.0005696200000000, 0.0000000000000000, 0.0002732700000000 ] - [ 0.0004307000000000, 0.0000000000000000, -0.0002138400000000 ] - [ 0.0003850300000000, 0.0000000000000000, 0.0001866300000000 ] - [ 0.0002649000000000, 0.0000000000000000, 0.0003226200000000 ] - [ 0.0004735600000000, 0.0000000000000000, 0.0002586800000000 ] - [ -0.0000935700000000, 0.0000000000000000, -0.0002631300000000 ] - [ -0.0010050900000000, 0.0000000000000000, 0.0005411200000000 ] - [ 0.0002749200000000, 0.0000000000000000, -0.0000515000000000 ] - [ -0.0032907200000000, 0.0000000000000000, 0.0014110300000000 ] - [ 0.0002779300000000, 0.0000000000000000, -0.0000529100000000 ] - [ 0.0007909800000000, -0.0000159400000000, 0.0001801800000000 ] - [ 0.0005483300000000, 0.0001059000000000, 0.0001205600000000 ] - [ 0.0003409000000000, -0.0001291000000000, 0.0003147800000000 ] - [ 0.0004599300000000, -0.0000170000000000, 0.0002788300000000 ] - [ 0.0006121200000000, -0.0001784600000000, -0.0004150500000000 ] - [ 0.0007550800000000, 0.0005238300000000, -0.0006450500000000 ] - [ 0.0004830300000000, -0.0001617900000000, -0.0003169100000000 ] - [ -0.0003867000000000, 0.0000629200000000, 0.0003492100000000 ] - [ 0.0004899700000000, 0.0001503000000000, 0.0003096300000000 ] - [ 0.0016006900000000, 0.0017008400000000, 0.0021541100000000 ] - [ 0.0006203700000000, 0.0001737000000000, 0.0004341800000000 ] - [ -0.0001203400000000, 0.0002630800000000, -0.0004819700000000 ] - [ 0.0003562700000000, -0.0000355200000000, -0.0003097100000000 ] - [ 0.0004147900000000, -0.0000115500000000, -0.0000495100000000 ] - [ 0.0004375200000000, -0.0001445700000000, 0.0000030100000000 ] - [ 0.0004969300000000, 0.0000284700000000, -0.0003065900000000 ] - [ 0.0044105500000000, 0.0000325100000000, -0.0010346000000000 ] - [ -0.0016599800000000, 0.0000065700000000, -0.0000235100000000 ] - [ 0.0220492500000000, 0.0040014100000000, 0.0046123700000000 ] - [ -0.0017074900000000, 0.0000022000000000, 0.0000261900000000 ] - [ 0.0044105500000000, -0.0000325100000000, -0.0010346000000000 ] - [ -0.0016599800000000, -0.0000065700000000, -0.0000235100000000 ] - [ 0.0220492500000000, -0.0040014100000000, 0.0046123700000000 ] - [ -0.0017074900000000, -0.0000022000000000, 0.0000261900000000 ] - [ -0.0013403800000000, 0.0000833600000000, 0.0000580700000000 ] - [ -0.0014364900000000, -0.0003272800000000, -0.0016277500000000 ] - [ -0.0020127700000000, 0.0001354300000000, -0.0001785200000000 ] - [ -0.0018225500000000, -0.0008857600000000, 0.0013692200000000 ] - [ -0.0013403800000000, -0.0000833600000000, 0.0000580700000000 ] - [ -0.0014364900000000, 0.0003272800000000, -0.0016277500000000 ] - [ -0.0020127700000000, -0.0001354300000000, -0.0001785200000000 ] - [ -0.0018225500000000, 0.0008857600000000, 0.0013692200000000 ] - [ -0.0012958600000000, 0.0000000000000000, 0.0024267100000000 ] - [ -0.0012353600000000, 0.0000000000000000, -0.0000382400000000 ] - [ -0.0014976900000000, 0.0000000000000000, -0.0020652000000000 ] - [ -0.0010609200000000, 0.0000000000000000, 0.0000874400000000 ] - [ 0.0151964000000000, 0.0000000000000000, 0.0084154600000000 ] - [ -0.0011369500000000, 0.0000000000000000, 0.0000393800000000 ] - [ 0.0016040400000000, 0.0000000000000000, 0.0005735800000000 ] - [ -0.0011030100000000, 0.0000000000000000, -0.0000931200000000 ] - [ 0.0013030600000000, 0.0000000000000000, -0.0007579400000000 ] - [ -0.0011040300000000, 0.0000000000000000, 0.0000929400000000 ] - [ 0.0021010600000000, 0.0000000000000000, -0.0001240600000000 ] - [ -0.0011110200000000, 0.0000000000000000, -0.0000370000000000 ] - [ -0.0007483400000000, 0.0000000000000000, 0.0014716100000000 ] - [ -0.0011539400000000, 0.0000000000000000, -0.0000661600000000 ] - [ -0.0001236000000000, 0.0000000000000000, -0.0011241500000000 ] - [ -0.0010053400000000, 0.0000000000000000, 0.0000075900000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0066318800000000, 0.0062052800000000, 0.0018815000000000 ] - [ -0.0005127800000000, 0.0000074900000000, 0.0002082100000000 ] - [ 0.0010795200000000, 0.0004115200000000, -0.0011053700000000 ] - [ -0.0004685100000000, 0.0000120900000000, 0.0001813000000000 ] - [ 0.0046036300000000, -0.0082948500000000, 0.0008554500000000 ] - [ -0.0005655200000000, -0.0001655100000000, -0.0003691800000000 ] - [ 0.0008045400000000, -0.0000397300000000, 0.0001403400000000 ] - [ -0.0005479600000000, -0.0001672100000000, -0.0003733000000000 ] - [ 0.0022986800000000, -0.0008546200000000, -0.0018307100000000 ] - [ -0.0005512900000000, 0.0001669400000000, 0.0003729400000000 ] - [ 0.0037557700000000, -0.0029378600000000, 0.0013830900000000 ] - [ -0.0005634600000000, 0.0001668200000000, 0.0003707500000000 ] - [ 0.0011376000000000, -0.0001864900000000, 0.0011159900000000 ] - [ -0.0004938300000000, -0.0000153700000000, -0.0002056300000000 ] - [ -0.0004654200000000, 0.0002017000000000, -0.0008197600000000 ] - [ -0.0004765600000000, -0.0000198100000000, -0.0001768400000000 ] - [ 0.0724006500000000, 0.0000000000000000, 0.0425929800000000 ] - [ -0.0004519300000000, 0.0000000000000000, -0.0002230800000000 ] - [ 0.0006758800000000, 0.0000000000000000, -0.0001063300000000 ] - [ -0.0004440800000000, 0.0000000000000000, -0.0002286700000000 ] - [ -0.0003530500000000, 0.0000000000000000, 0.0000726000000000 ] - [ -0.0014234700000000, 0.0000000000000000, 0.0009606300000000 ] - [ -0.0002370900000000, 0.0000000000000000, 0.0000353200000000 ] - [ 0.0001641400000000, 0.0000000000000000, -0.0004297800000000 ] - [ 0.0009742700000000, 0.0000000000000000, 0.0005387900000000 ] - [ -0.0002905900000000, 0.0000000000000000, -0.0000661400000000 ] - [ -0.0185683200000000, 0.0000000000000000, -0.0273673600000000 ] - [ -0.0002785000000000, 0.0000000000000000, -0.0000451200000000 ] - [ -0.0004705800000000, 0.0000000000000000, 0.0003106200000000 ] - [ -0.0004707900000000, 0.0000000000000000, 0.0000138900000000 ] - [ -0.0005380700000000, 0.0000000000000000, 0.0002099200000000 ] - [ -0.0005387800000000, 0.0000000000000000, 0.0004679500000000 ] - [ 0.0046036300000000, 0.0082948500000000, 0.0008554500000000 ] - [ -0.0005655200000000, 0.0001655100000000, -0.0003691800000000 ] - [ 0.0008045400000000, 0.0000397300000000, 0.0001403400000000 ] - [ -0.0005479600000000, 0.0001672100000000, -0.0003733000000000 ] - [ -0.0066318800000000, -0.0062052800000000, 0.0018815000000000 ] - [ -0.0005127800000000, -0.0000074900000000, 0.0002082100000000 ] - [ 0.0010795200000000, -0.0004115200000000, -0.0011053700000000 ] - [ -0.0004685100000000, -0.0000120900000000, 0.0001813000000000 ] - [ 0.0011376000000000, 0.0001864900000000, 0.0011159900000000 ] - [ -0.0004938300000000, 0.0000153700000000, -0.0002056300000000 ] - [ -0.0004654200000000, -0.0002017000000000, -0.0008197600000000 ] - [ -0.0004765600000000, 0.0000198100000000, -0.0001768400000000 ] - [ 0.0022986800000000, 0.0008546200000000, -0.0018307100000000 ] - [ -0.0005512900000000, -0.0001669400000000, 0.0003729400000000 ] - [ 0.0037557700000000, 0.0029378600000000, 0.0013830900000000 ] - [ -0.0005634600000000, -0.0001668200000000, 0.0003707500000000 ] - [ -0.0005493600000000, 0.0000003700000000, 0.0002391200000000 ] - [ -0.0006911700000000, 0.0007128200000000, 0.0004738100000000 ] - [ -0.0004191900000000, 0.0000185600000000, 0.0001411600000000 ] - [ 0.0004641600000000, 0.0002462000000000, -0.0005377900000000 ] - [ -0.0008644400000000, -0.0001976900000000, -0.0003606500000000 ] - [ -0.0006209600000000, -0.0000737800000000, -0.0002983700000000 ] - [ -0.0004133200000000, -0.0003087400000000, -0.0004946800000000 ] - [ -0.0005359700000000, -0.0001989900000000, -0.0004633600000000 ] - [ -0.0004273300000000, 0.0001452400000000, 0.0004891500000000 ] - [ -0.0004867800000000, 0.0001689900000000, 0.0002278900000000 ] - [ -0.0005150400000000, 0.0000365100000000, 0.0001803300000000 ] - [ -0.0005685800000000, 0.0002090600000000, 0.0004874800000000 ] - [ -0.0004251200000000, -0.0000292000000000, -0.0001323000000000 ] - [ -0.0015550200000000, 0.0015466200000000, -0.0020031100000000 ] - [ -0.0005572200000000, -0.0000066000000000, -0.0002581000000000 ] - [ 0.0001959400000000, 0.0000836700000000, 0.0006694900000000 ] - [ -0.0004463400000000, 0.0000000000000000, -0.0002020800000000 ] - [ -0.0004458800000000, 0.0000000000000000, -0.0001303600000000 ] - [ -0.0003084700000000, 0.0000000000000000, -0.0001742000000000 ] - [ -0.0003085500000000, 0.0000000000000000, -0.0002834700000000 ] - [ 0.0006294600000000, 0.0000000000000000, 0.0008214600000000 ] - [ -0.0002873700000000, 0.0000000000000000, 0.0000610600000000 ] - [ 0.0007400900000000, 0.0000000000000000, -0.0004492300000000 ] - [ -0.0002659300000000, 0.0000000000000000, 0.0000422500000000 ] - [ -0.0002240200000000, 0.0000000000000000, -0.0000168300000000 ] - [ -0.0001005300000000, 0.0000000000000000, -0.0001522800000000 ] - [ -0.0003100000000000, 0.0000000000000000, -0.0000858600000000 ] - [ 0.0002627900000000, 0.0000000000000000, 0.0004400300000000 ] - [ 0.0008434100000000, 0.0000000000000000, -0.0003725900000000 ] - [ -0.0004440000000000, 0.0000000000000000, 0.0002225000000000 ] - [ 0.0031299300000000, 0.0000000000000000, -0.0012404700000000 ] - [ -0.0004476900000000, 0.0000000000000000, 0.0002263900000000 ] - [ -0.0008644400000000, 0.0001976900000000, -0.0003606500000000 ] - [ -0.0006209600000000, 0.0000737800000000, -0.0002983700000000 ] - [ -0.0004133200000000, 0.0003087400000000, -0.0004946800000000 ] - [ -0.0005359700000000, 0.0001989900000000, -0.0004633600000000 ] - [ -0.0005493600000000, -0.0000003700000000, 0.0002391200000000 ] - [ -0.0006911700000000, -0.0007128200000000, 0.0004738100000000 ] - [ -0.0004191900000000, -0.0000185600000000, 0.0001411600000000 ] - [ 0.0004641600000000, -0.0002462000000000, -0.0005377900000000 ] - [ -0.0004251200000000, 0.0000292000000000, -0.0001323000000000 ] - [ -0.0015550200000000, -0.0015466200000000, -0.0020031100000000 ] - [ -0.0005572200000000, 0.0000066000000000, -0.0002581000000000 ] - [ 0.0001959400000000, -0.0000836700000000, 0.0006694900000000 ] - [ -0.0004273300000000, -0.0001452400000000, 0.0004891500000000 ] - [ -0.0004867800000000, -0.0001689900000000, 0.0002278900000000 ] - [ -0.0005150400000000, -0.0000365100000000, 0.0001803300000000 ] - [ -0.0005685800000000, -0.0002090600000000, 0.0004874800000000 ] - [ -0.0044365400000000, -0.0000340100000000, 0.0010440900000000 ] - [ 0.0016715400000000, -0.0000062900000000, 0.0000243300000000 ] - [ -0.0220238000000000, -0.0037153600000000, -0.0044772700000000 ] - [ 0.0017155500000000, -0.0000023300000000, -0.0000283300000000 ] - [ -0.0044365400000000, 0.0000340100000000, 0.0010440900000000 ] - [ 0.0016715400000000, 0.0000062900000000, 0.0000243300000000 ] - [ -0.0220238000000000, 0.0037153600000000, -0.0044772700000000 ] - [ 0.0017155500000000, 0.0000023300000000, -0.0000283300000000 ] - [ 0.0013506800000000, -0.0000800300000000, -0.0000586500000000 ] - [ 0.0014501800000000, 0.0003331100000000, 0.0016520500000000 ] - [ 0.0020257700000000, -0.0001368500000000, 0.0001788500000000 ] - [ 0.0018314000000000, 0.0008973100000000, -0.0013870900000000 ] - [ 0.0013506800000000, 0.0000800300000000, -0.0000586500000000 ] - [ 0.0014501800000000, -0.0003331100000000, 0.0016520500000000 ] - [ 0.0020257700000000, 0.0001368500000000, 0.0001788500000000 ] - [ 0.0018314000000000, -0.0008973100000000, -0.0013870900000000 ] - [ 0.0013036900000000, 0.0000000000000000, -0.0023776900000000 ] - [ 0.0012455400000000, 0.0000000000000000, 0.0000932800000000 ] - [ 0.0015043200000000, 0.0000000000000000, 0.0021267700000000 ] - [ 0.0010668200000000, 0.0000000000000000, -0.0000341100000000 ] - [ -0.0157699100000000, 0.0000000000000000, -0.0089919600000000 ] - [ 0.0011429300000000, 0.0000000000000000, -0.0000919900000000 ] - [ -0.0016316700000000, 0.0000000000000000, -0.0006154600000000 ] - [ 0.0011097300000000, 0.0000000000000000, 0.0000355700000000 ] - [ -0.0013358100000000, 0.0000000000000000, 0.0008000200000000 ] - [ 0.0011094500000000, 0.0000000000000000, -0.0000365600000000 ] - [ -0.0021274400000000, 0.0000000000000000, 0.0001894700000000 ] - [ 0.0011182400000000, 0.0000000000000000, 0.0000911300000000 ] - [ 0.0007557600000000, 0.0000000000000000, -0.0015333400000000 ] - [ 0.0011621600000000, 0.0000000000000000, 0.0000109000000000 ] - [ 0.0001324300000000, 0.0000000000000000, 0.0010819700000000 ] - [ 0.0010112800000000, 0.0000000000000000, -0.0000642500000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0095141100000000, 0.0024775700000000, 0.0036220700000000 ] - [ 0.0000433300000000, 0.0000893500000000, -0.0000904400000000 ] - [ -0.0000510700000000, -0.0000361900000000, -0.0003191600000000 ] - [ 0.0000359100000000, 0.0000897500000000, -0.0000903400000000 ] - [ 0.0090002700000000, 0.0234648800000000, 0.0074885400000000 ] - [ -0.0000368700000000, -0.0000891800000000, -0.0000887200000000 ] - [ -0.0000069300000000, 0.0000546800000000, -0.0004391100000000 ] - [ -0.0000319800000000, -0.0000891300000000, -0.0000871900000000 ] - [ -0.0000471800000000, 0.0000089200000000, 0.0010169000000000 ] - [ -0.0000345200000000, 0.0000895500000000, 0.0000896600000000 ] - [ 0.0040191400000000, 0.0020835600000000, -0.0087424000000000 ] - [ -0.0000361800000000, 0.0000886800000000, 0.0000880200000000 ] - [ -0.0000708000000000, 0.0000519100000000, 0.0005163000000000 ] - [ 0.0000356400000000, -0.0000899200000000, 0.0000898700000000 ] - [ -0.0059599000000000, 0.0000865600000000, -0.0056201000000000 ] - [ 0.0000433700000000, -0.0000893100000000, 0.0000903900000000 ] - [ -0.0005197600000000, -0.0858015000000000, -0.0006217300000000 ] - [ -0.0000813100000000, -0.0000045700000000, -0.0000858700000000 ] - [ -0.0000841400000000, -0.0004781100000000, -0.0000835600000000 ] - [ -0.0000813800000000, -0.0000005800000000, -0.0000857700000000 ] - [ 0.0000851100000000, -0.0001356400000000, -0.0000871300000000 ] - [ 0.0000951800000000, -0.0003415400000000, -0.0000949900000000 ] - [ 0.0000849800000000, -0.0000159600000000, -0.0000872200000000 ] - [ 0.0000828900000000, 0.0000211000000000, -0.0000842400000000 ] - [ 0.0000785100000000, -0.0005424400000000, 0.0000905000000000 ] - [ 0.0000836400000000, -0.0000000800000000, 0.0000862300000000 ] - [ -0.0000242800000000, -0.0106471500000000, -0.0000255600000000 ] - [ 0.0000841500000000, -0.0000048900000000, 0.0000867200000000 ] - [ -0.0000832500000000, 0.0000040300000000, 0.0000859100000000 ] - [ -0.0000818500000000, 0.0000045000000000, 0.0000863800000000 ] - [ -0.0000824500000000, -0.0001974400000000, 0.0000852200000000 ] - [ -0.0000814100000000, -0.0001975300000000, 0.0000834000000000 ] - [ -0.0093360300000000, 0.0242047600000000, -0.0078833200000000 ] - [ -0.0000304800000000, 0.0000904500000000, -0.0000907600000000 ] - [ -0.0000628500000000, 0.0002309700000000, 0.0002683800000000 ] - [ -0.0000330000000000, 0.0000893000000000, -0.0000890800000000 ] - [ 0.0096816000000000, 0.0022653700000000, -0.0038690700000000 ] - [ 0.0000297400000000, -0.0000907900000000, -0.0000912800000000 ] - [ 0.0001107200000000, -0.0002165300000000, 0.0001524300000000 ] - [ 0.0000364100000000, -0.0000901300000000, -0.0000907500000000 ] - [ 0.0001320300000000, 0.0002265500000000, -0.0003424200000000 ] - [ 0.0000363600000000, 0.0000896500000000, 0.0000906400000000 ] - [ 0.0061235800000000, 0.0002441200000000, 0.0058870700000000 ] - [ 0.0000290100000000, 0.0000899500000000, 0.0000903700000000 ] - [ -0.0000434200000000, -0.0001942200000000, -0.0008092600000000 ] - [ -0.0000312900000000, -0.0000892800000000, 0.0000874300000000 ] - [ -0.0041656500000000, 0.0018663700000000, 0.0090107200000000 ] - [ -0.0000283100000000, -0.0000899100000000, 0.0000887500000000 ] - [ 0.0001076700000000, 0.0001186200000000, -0.0001338900000000 ] - [ -0.0008004200000000, 0.0001184700000000, -0.0000587100000000 ] - [ 0.0000414600000000, 0.0000924000000000, -0.0000864100000000 ] - [ 0.0000233700000000, 0.0000860200000000, -0.0000819600000000 ] - [ 0.0004975200000000, -0.0001105200000000, -0.0000551700000000 ] - [ -0.0001402000000000, -0.0001342900000000, -0.0001553500000000 ] - [ -0.0000313700000000, -0.0000902900000000, -0.0000998900000000 ] - [ -0.0000242000000000, -0.0000835000000000, -0.0000659600000000 ] - [ -0.0000311200000000, 0.0000893900000000, 0.0001040200000000 ] - [ -0.0000296200000000, 0.0000892900000000, 0.0000763800000000 ] - [ 0.0003693800000000, 0.0001078200000000, 0.0000831800000000 ] - [ -0.0001425300000000, 0.0001362200000000, 0.0001626300000000 ] - [ 0.0000434400000000, -0.0000930900000000, 0.0000874100000000 ] - [ 0.0002636800000000, -0.0002889700000000, 0.0004135900000000 ] - [ 0.0001069300000000, -0.0001203600000000, 0.0001364900000000 ] - [ -0.0005050900000000, -0.0001097100000000, 0.0001325000000000 ] - [ -0.0000810100000000, 0.0002089400000000, -0.0000861500000000 ] - [ -0.0000817300000000, 0.0002089300000000, -0.0000859100000000 ] - [ -0.0000800600000000, 0.0000002000000000, -0.0000837300000000 ] - [ -0.0000825800000000, -0.0000000100000000, -0.0000855900000000 ] - [ 0.0000910000000000, 0.0094710200000000, -0.0001071000000000 ] - [ 0.0000847800000000, 0.0000045900000000, -0.0000863000000000 ] - [ 0.0000810400000000, 0.0004406700000000, -0.0000834000000000 ] - [ 0.0000852900000000, 0.0000000700000000, -0.0000874000000000 ] - [ 0.0000834800000000, 0.0000163500000000, 0.0000865300000000 ] - [ 0.0000797900000000, -0.0000628500000000, 0.0000848500000000 ] - [ 0.0000847300000000, 0.0001297000000000, 0.0000873900000000 ] - [ 0.0000796800000000, 0.0003051200000000, 0.0000841200000000 ] - [ -0.0000851900000000, 0.0005877700000000, 0.0000853700000000 ] - [ -0.0000818900000000, -0.0000000500000000, 0.0000847700000000 ] - [ -0.0001113900000000, 0.0102992900000000, 0.0000964400000000 ] - [ -0.0000825700000000, 0.0000040200000000, 0.0000860500000000 ] - [ -0.0005641300000000, 0.0000705000000000, -0.0001259100000000 ] - [ 0.0000754000000000, 0.0000462400000000, -0.0000224000000000 ] - [ -0.0000349500000000, 0.0000904000000000, -0.0000760500000000 ] - [ -0.0000429600000000, 0.0000953400000000, -0.0001116700000000 ] - [ -0.0000351500000000, -0.0000608600000000, -0.0000481300000000 ] - [ 0.0008674900000000, -0.0000462000000000, -0.0001227200000000 ] - [ 0.0000298200000000, -0.0000869700000000, -0.0000931300000000 ] - [ 0.0000396400000000, -0.0000906700000000, -0.0000918400000000 ] - [ 0.0000289700000000, 0.0000867100000000, 0.0000935500000000 ] - [ -0.0001753600000000, -0.0000838300000000, -0.0002078300000000 ] - [ -0.0000339200000000, 0.0000595100000000, 0.0000452100000000 ] - [ 0.0005701600000000, 0.0000735100000000, 0.0000397100000000 ] - [ -0.0000354200000000, -0.0000881800000000, 0.0000719600000000 ] - [ -0.0000354800000000, -0.0000883800000000, 0.0001008600000000 ] - [ -0.0004313800000000, -0.0000698500000000, 0.0000945400000000 ] - [ 0.0000771900000000, -0.0000418400000000, 0.0000132300000000 ] - [ -0.0003099900000000, -0.0000490600000000, 0.0005565200000000 ] - [ -0.0000069600000000, 0.0000002700000000, -0.0000007800000000 ] - [ -0.0024078400000000, 0.0108831600000000, -0.0023721900000000 ] - [ -0.0000056200000000, -0.0000002000000000, -0.0000015100000000 ] - [ 0.0003434000000000, -0.0000687800000000, -0.0005911400000000 ] - [ -0.0000055300000000, -0.0000002000000000, 0.0000008900000000 ] - [ 0.0031204000000000, 0.0090690900000000, 0.0031360000000000 ] - [ -0.0000115300000000, 0.0000004800000000, -0.0000003000000000 ] - [ 0.0000371000000000, 0.0000018200000000, -0.0000049500000000 ] - [ 0.0000365000000000, -0.0000034200000000, 0.0000729500000000 ] - [ 0.0005972100000000, -0.0000147800000000, 0.0000565200000000 ] - [ -0.0009888100000000, 0.0000148400000000, 0.0001342000000000 ] - [ -0.0000447800000000, 0.0000002600000000, 0.0000016500000000 ] - [ -0.0000468700000000, 0.0000047100000000, -0.0000932200000000 ] - [ -0.0006150800000000, -0.0000101500000000, -0.0000513500000000 ] - [ 0.0009790100000000, 0.0000339700000000, -0.0001183600000000 ] - [ 0.0000096600000000, 0.0020742400000000, 0.0000317300000000 ] - [ -0.0000051800000000, 0.0000303100000000, 0.0000280800000000 ] - [ -0.0000005300000000, 0.0016289500000000, 0.0000244600000000 ] - [ -0.0000044400000000, 0.0000323200000000, 0.0000280300000000 ] - [ -0.0000189700000000, 0.0039684600000000, -0.0000505700000000 ] - [ -0.0000047900000000, 0.0000246600000000, -0.0000271500000000 ] - [ 0.0000085400000000, 0.0020100000000000, -0.0000269700000000 ] - [ -0.0000044300000000, 0.0000228700000000, -0.0000299300000000 ] - [ 0.0000230000000000, -0.0034707900000000, 0.0000472600000000 ] - [ -0.0000050000000000, -0.0000231200000000, 0.0000292100000000 ] - [ 0.0000180500000000, -0.0021388600000000, 0.0000195500000000 ] - [ -0.0000046900000000, -0.0000242100000000, 0.0000275500000000 ] - [ -0.0000079100000000, -0.0021350300000000, -0.0000169300000000 ] - [ -0.0000041400000000, -0.0000333700000000, -0.0000285200000000 ] - [ -0.0000091100000000, -0.0015654400000000, -0.0000421100000000 ] - [ -0.0000039400000000, -0.0000302000000000, -0.0000291700000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0016594700000000, 0.0029520000000000, -0.0032676600000000 ] - [ 0.0002495400000000, 0.0001255000000000, -0.0002181000000000 ] - [ -0.0007535300000000, -0.0002004200000000, 0.0011537800000000 ] - [ 0.0002183900000000, 0.0001173700000000, -0.0001765300000000 ] - [ -0.0008035700000000, 0.0070709200000000, -0.0045373600000000 ] - [ 0.0001588600000000, -0.0000637300000000, 0.0000071500000000 ] - [ 0.0002161800000000, -0.0000306500000000, 0.0010352800000000 ] - [ 0.0001681500000000, -0.0000589800000000, 0.0000284800000000 ] - [ -0.0013436300000000, 0.0012510400000000, 0.0024027100000000 ] - [ 0.0001582400000000, 0.0000616200000000, -0.0000145300000000 ] - [ -0.0028927300000000, -0.0051459100000000, 0.0064755700000000 ] - [ 0.0001708300000000, 0.0000602200000000, -0.0000219600000000 ] - [ -0.0003846000000000, 0.0000987800000000, 0.0001742900000000 ] - [ 0.0002500200000000, -0.0001182600000000, 0.0002081800000000 ] - [ 0.0010652000000000, -0.0003808900000000, 0.0009906800000000 ] - [ 0.0002098800000000, -0.0001148700000000, 0.0001811500000000 ] - [ -0.0430574400000000, 0.0000000000000000, -0.0683932600000000 ] - [ 0.0000538800000000, 0.0000000000000000, -0.0000397500000000 ] - [ -0.0000610100000000, 0.0000000000000000, 0.0007619600000000 ] - [ 0.0000589900000000, 0.0000000000000000, -0.0000249100000000 ] - [ 0.0002401900000000, 0.0000000000000000, -0.0002138400000000 ] - [ 0.0011175400000000, 0.0000000000000000, -0.0013977100000000 ] - [ 0.0002048200000000, 0.0000000000000000, -0.0000693000000000 ] - [ -0.0002572800000000, 0.0000000000000000, 0.0004623000000000 ] - [ -0.0003655200000000, 0.0000000000000000, 0.0008892800000000 ] - [ 0.0002320900000000, 0.0000000000000000, 0.0001507000000000 ] - [ 0.0281508800000000, 0.0000000000000000, 0.0234167300000000 ] - [ 0.0002126000000000, 0.0000000000000000, 0.0001285400000000 ] - [ -0.0001548600000000, 0.0000000000000000, 0.0002278900000000 ] - [ 0.0001398000000000, 0.0000000000000000, 0.0002262800000000 ] - [ 0.0002977600000000, 0.0000000000000000, -0.0001941500000000 ] - [ 0.0000408300000000, 0.0000000000000000, -0.0001923000000000 ] - [ -0.0008035700000000, -0.0070709200000000, -0.0045373600000000 ] - [ 0.0001588600000000, 0.0000637300000000, 0.0000071500000000 ] - [ 0.0002161800000000, 0.0000306500000000, 0.0010352800000000 ] - [ 0.0001681500000000, 0.0000589800000000, 0.0000284800000000 ] - [ -0.0016594700000000, -0.0029520000000000, -0.0032676600000000 ] - [ 0.0002495400000000, -0.0001255000000000, -0.0002181000000000 ] - [ -0.0007535300000000, 0.0002004200000000, 0.0011537800000000 ] - [ 0.0002183900000000, -0.0001173700000000, -0.0001765300000000 ] - [ -0.0003846000000000, -0.0000987800000000, 0.0001742900000000 ] - [ 0.0002500200000000, 0.0001182600000000, 0.0002081800000000 ] - [ 0.0010652000000000, 0.0003808900000000, 0.0009906800000000 ] - [ 0.0002098800000000, 0.0001148700000000, 0.0001811500000000 ] - [ -0.0013436300000000, -0.0012510400000000, 0.0024027100000000 ] - [ 0.0001582400000000, -0.0000616200000000, -0.0000145300000000 ] - [ -0.0028927300000000, 0.0051459100000000, 0.0064755700000000 ] - [ 0.0001708300000000, -0.0000602200000000, -0.0000219600000000 ] - [ 0.0002596500000000, 0.0001320500000000, -0.0002546900000000 ] - [ 0.0007025200000000, -0.0002679200000000, -0.0009236800000000 ] - [ 0.0001995000000000, 0.0001081400000000, -0.0001368700000000 ] - [ -0.0005721400000000, -0.0000422300000000, 0.0006675200000000 ] - [ -0.0001250800000000, -0.0001325300000000, -0.0003154300000000 ] - [ 0.0001203400000000, -0.0001551000000000, -0.0001623100000000 ] - [ 0.0003793200000000, 0.0001417000000000, 0.0004284900000000 ] - [ 0.0002240300000000, -0.0000066600000000, 0.0001968700000000 ] - [ -0.0001295900000000, 0.0000504000000000, 0.0001644200000000 ] - [ 0.0001939000000000, 0.0000561000000000, 0.0000565600000000 ] - [ 0.0004554600000000, 0.0001230600000000, -0.0001863600000000 ] - [ 0.0000943400000000, 0.0000392500000000, -0.0000784200000000 ] - [ 0.0002038000000000, -0.0001287300000000, 0.0002062600000000 ] - [ 0.0013581600000000, -0.0012734900000000, 0.0018419300000000 ] - [ 0.0002625500000000, -0.0001047500000000, 0.0001847500000000 ] - [ -0.0009380800000000, 0.0000223100000000, -0.0005891500000000 ] - [ -0.0000387700000000, 0.0000000000000000, -0.0001839700000000 ] - [ 0.0000324000000000, 0.0000000000000000, -0.0001832300000000 ] - [ 0.0001147600000000, 0.0000000000000000, 0.0000947700000000 ] - [ 0.0000058300000000, 0.0000000000000000, 0.0000938200000000 ] - [ 0.0009810000000000, 0.0000000000000000, -0.0027204400000000 ] - [ 0.0002281000000000, 0.0000000000000000, -0.0001495200000000 ] - [ -0.0002753100000000, 0.0000000000000000, 0.0004860800000000 ] - [ 0.0002105900000000, 0.0000000000000000, -0.0001246100000000 ] - [ 0.0001827200000000, 0.0000000000000000, 0.0001627000000000 ] - [ 0.0003191900000000, 0.0000000000000000, 0.0003853400000000 ] - [ 0.0002542000000000, 0.0000000000000000, 0.0001103700000000 ] - [ -0.0002683300000000, 0.0000000000000000, -0.0003403900000000 ] - [ -0.0005387300000000, 0.0000000000000000, 0.0006161300000000 ] - [ 0.0000536100000000, 0.0000000000000000, 0.0000365900000000 ] - [ -0.0013985200000000, 0.0000000000000000, 0.0001967100000000 ] - [ 0.0000558000000000, 0.0000000000000000, 0.0000283400000000 ] - [ -0.0001250800000000, 0.0001325300000000, -0.0003154300000000 ] - [ 0.0001203400000000, 0.0001551000000000, -0.0001623100000000 ] - [ 0.0003793200000000, -0.0001417000000000, 0.0004284900000000 ] - [ 0.0002240300000000, 0.0000066600000000, 0.0001968700000000 ] - [ 0.0002596500000000, -0.0001320500000000, -0.0002546900000000 ] - [ 0.0007025200000000, 0.0002679200000000, -0.0009236800000000 ] - [ 0.0001995000000000, -0.0001081400000000, -0.0001368700000000 ] - [ -0.0005721400000000, 0.0000422300000000, 0.0006675200000000 ] - [ 0.0002038000000000, 0.0001287300000000, 0.0002062600000000 ] - [ 0.0013581600000000, 0.0012734900000000, 0.0018419300000000 ] - [ 0.0002625500000000, 0.0001047500000000, 0.0001847500000000 ] - [ -0.0009380800000000, -0.0000223100000000, -0.0005891500000000 ] - [ -0.0001295900000000, -0.0000504000000000, 0.0001644200000000 ] - [ 0.0001939000000000, -0.0000561000000000, 0.0000565600000000 ] - [ 0.0004554600000000, -0.0001230600000000, -0.0001863600000000 ] - [ 0.0000943400000000, -0.0000392500000000, -0.0000784200000000 ] - [ 0.0020380800000000, 0.0006761600000000, -0.0039473500000000 ] - [ -0.0006464200000000, 0.0000046800000000, -0.0000398300000000 ] - [ 0.0059558200000000, 0.0062237300000000, 0.0206327800000000 ] - [ -0.0006431200000000, 0.0000012300000000, 0.0000416400000000 ] - [ 0.0020380800000000, -0.0006761600000000, -0.0039473500000000 ] - [ -0.0006464200000000, -0.0000046800000000, -0.0000398300000000 ] - [ 0.0059558200000000, -0.0062237300000000, 0.0206327800000000 ] - [ -0.0006431200000000, -0.0000012300000000, 0.0000416400000000 ] - [ -0.0004882800000000, -0.0000198200000000, -0.0004882200000000 ] - [ -0.0008503300000000, -0.0001840000000000, -0.0017922100000000 ] - [ -0.0007822500000000, 0.0000756000000000, 0.0005409900000000 ] - [ -0.0002108500000000, -0.0004485800000000, 0.0018122100000000 ] - [ -0.0004882800000000, 0.0000198200000000, -0.0004882200000000 ] - [ -0.0008503300000000, 0.0001840000000000, -0.0017922100000000 ] - [ -0.0007822500000000, -0.0000756000000000, 0.0005409900000000 ] - [ -0.0002108500000000, 0.0004485800000000, 0.0018122100000000 ] - [ 0.0016360400000000, 0.0000000000000000, 0.0001120400000000 ] - [ -0.0005683300000000, 0.0000000000000000, 0.0000580300000000 ] - [ -0.0020415900000000, 0.0000000000000000, -0.0018020200000000 ] - [ -0.0003325100000000, 0.0000000000000000, -0.0000088600000000 ] - [ 0.0089304200000000, 0.0000000000000000, 0.0071610800000000 ] - [ -0.0004062600000000, 0.0000000000000000, 0.0000104300000000 ] - [ 0.0024048700000000, 0.0000000000000000, -0.0025217000000000 ] - [ -0.0004513400000000, 0.0000000000000000, -0.0000677100000000 ] - [ -0.0000501900000000, 0.0000000000000000, -0.0002525400000000 ] - [ -0.0003983600000000, 0.0000000000000000, 0.0000582700000000 ] - [ 0.0021515000000000, 0.0000000000000000, -0.0011049700000000 ] - [ -0.0004516300000000, 0.0000000000000000, -0.0000039400000000 ] - [ 0.0000450400000000, 0.0000000000000000, 0.0007634800000000 ] - [ -0.0004802600000000, 0.0000000000000000, 0.0000267200000000 ] - [ -0.0006043300000000, 0.0000000000000000, -0.0011498400000000 ] - [ -0.0003330200000000, 0.0000000000000000, -0.0000876600000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0016975500000000, -0.0027532200000000, 0.0031243600000000 ] - [ -0.0001840600000000, 0.0000540900000000, 0.0000421700000000 ] - [ 0.0008281500000000, 0.0003813100000000, -0.0013390200000000 ] - [ -0.0001529600000000, 0.0000623300000000, 0.0000005800000000 ] - [ 0.0007536500000000, -0.0072256600000000, 0.0044327400000000 ] - [ -0.0002310000000000, -0.0001175500000000, -0.0001876600000000 ] - [ -0.0002812100000000, -0.0001495600000000, -0.0012139300000000 ] - [ -0.0002378300000000, -0.0001215500000000, -0.0002058000000000 ] - [ 0.0012849000000000, -0.0010846900000000, -0.0022426800000000 ] - [ -0.0002287900000000, 0.0001184500000000, 0.0001943200000000 ] - [ 0.0027925900000000, 0.0052168400000000, -0.0062023300000000 ] - [ -0.0002400400000000, 0.0001201200000000, 0.0002011500000000 ] - [ 0.0004603600000000, -0.0002817300000000, 0.0000103800000000 ] - [ -0.0001859100000000, -0.0000612100000000, -0.0000322200000000 ] - [ -0.0010222800000000, 0.0001933300000000, -0.0008357000000000 ] - [ -0.0001446800000000, -0.0000646200000000, -0.0000047100000000 ] - [ 0.0424449900000000, 0.0000000000000000, 0.0674799900000000 ] - [ -0.0002194000000000, 0.0000000000000000, -0.0001311300000000 ] - [ -0.0001013500000000, 0.0000000000000000, -0.0009391800000000 ] - [ -0.0002251400000000, 0.0000000000000000, -0.0001464800000000 ] - [ -0.0000747700000000, 0.0000000000000000, 0.0000441000000000 ] - [ -0.0009603400000000, 0.0000000000000000, 0.0012427200000000 ] - [ -0.0000381000000000, 0.0000000000000000, -0.0001024600000000 ] - [ 0.0004247000000000, 0.0000000000000000, -0.0006360900000000 ] - [ 0.0005371100000000, 0.0000000000000000, -0.0007226700000000 ] - [ -0.0000699300000000, 0.0000000000000000, 0.0000192200000000 ] - [ -0.0273328300000000, 0.0000000000000000, -0.0228337900000000 ] - [ -0.0000491500000000, 0.0000000000000000, 0.0000428900000000 ] - [ -0.0000133600000000, 0.0000000000000000, -0.0000550500000000 ] - [ -0.0003084300000000, 0.0000000000000000, -0.0000565300000000 ] - [ -0.0004635200000000, 0.0000000000000000, 0.0003631500000000 ] - [ -0.0002086900000000, 0.0000000000000000, 0.0003652100000000 ] - [ 0.0007536500000000, 0.0072256600000000, 0.0044327400000000 ] - [ -0.0002310000000000, 0.0001175500000000, -0.0001876600000000 ] - [ -0.0002812100000000, 0.0001495600000000, -0.0012139300000000 ] - [ -0.0002378300000000, 0.0001215500000000, -0.0002058000000000 ] - [ 0.0016975500000000, 0.0027532200000000, 0.0031243600000000 ] - [ -0.0001840600000000, -0.0000540900000000, 0.0000421700000000 ] - [ 0.0008281500000000, -0.0003813100000000, -0.0013390200000000 ] - [ -0.0001529600000000, -0.0000623300000000, 0.0000005800000000 ] - [ 0.0004603600000000, 0.0002817300000000, 0.0000103800000000 ] - [ -0.0001859100000000, 0.0000612100000000, -0.0000322200000000 ] - [ -0.0010222800000000, -0.0001933300000000, -0.0008357000000000 ] - [ -0.0001446800000000, 0.0000646200000000, -0.0000047100000000 ] - [ 0.0012849000000000, 0.0010846900000000, -0.0022426800000000 ] - [ -0.0002287900000000, -0.0001184500000000, 0.0001943200000000 ] - [ 0.0027925900000000, -0.0052168400000000, -0.0062023300000000 ] - [ -0.0002400400000000, -0.0001201200000000, 0.0002011500000000 ] - [ -0.0001960400000000, 0.0000468300000000, 0.0000793800000000 ] - [ -0.0006362800000000, 0.0004523100000000, 0.0007529000000000 ] - [ -0.0001340800000000, 0.0000722100000000, -0.0000386800000000 ] - [ 0.0006439000000000, 0.0002240600000000, -0.0008503600000000 ] - [ 0.0000517300000000, -0.0000482300000000, 0.0001359000000000 ] - [ -0.0001895600000000, -0.0000246500000000, -0.0000136700000000 ] - [ -0.0004472700000000, -0.0003199800000000, -0.0006050200000000 ] - [ -0.0002969700000000, -0.0001745900000000, -0.0003785000000000 ] - [ 0.0000604600000000, 0.0001305200000000, 0.0000155400000000 ] - [ -0.0002634200000000, 0.0001239900000000, 0.0001215600000000 ] - [ -0.0005285200000000, 0.0000577600000000, 0.0003668300000000 ] - [ -0.0001627000000000, 0.0001405800000000, 0.0002571000000000 ] - [ -0.0001374000000000, -0.0000508600000000, -0.0000280600000000 ] - [ -0.0012993100000000, 0.0011044000000000, -0.0016776000000000 ] - [ -0.0001981800000000, -0.0000752800000000, -0.0000086200000000 ] - [ 0.0010110300000000, -0.0002034100000000, 0.0007698500000000 ] - [ -0.0001280700000000, 0.0000000000000000, 0.0000118500000000 ] - [ -0.0001981100000000, 0.0000000000000000, 0.0000128800000000 ] - [ -0.0002792500000000, 0.0000000000000000, -0.0002636400000000 ] - [ -0.0001719800000000, 0.0000000000000000, -0.0002649300000000 ] - [ -0.0008123500000000, 0.0000000000000000, 0.0025481400000000 ] - [ -0.0000632400000000, 0.0000000000000000, -0.0000192300000000 ] - [ 0.0004465300000000, 0.0000000000000000, -0.0006617900000000 ] - [ -0.0000452400000000, 0.0000000000000000, -0.0000459500000000 ] - [ -0.0000202800000000, 0.0000000000000000, 0.0000079300000000 ] - [ -0.0001551900000000, 0.0000000000000000, -0.0002139400000000 ] - [ -0.0000898900000000, 0.0000000000000000, 0.0000620500000000 ] - [ 0.0004350700000000, 0.0000000000000000, 0.0005143500000000 ] - [ 0.0003754100000000, 0.0000000000000000, -0.0004456900000000 ] - [ -0.0002204300000000, 0.0000000000000000, 0.0001338200000000 ] - [ 0.0012524200000000, 0.0000000000000000, -0.0000350600000000 ] - [ -0.0002236200000000, 0.0000000000000000, 0.0001447300000000 ] - [ 0.0000517300000000, 0.0000482300000000, 0.0001359000000000 ] - [ -0.0001895600000000, 0.0000246500000000, -0.0000136700000000 ] - [ -0.0004472700000000, 0.0003199800000000, -0.0006050200000000 ] - [ -0.0002969700000000, 0.0001745900000000, -0.0003785000000000 ] - [ -0.0001960400000000, -0.0000468300000000, 0.0000793800000000 ] - [ -0.0006362800000000, -0.0004523100000000, 0.0007529000000000 ] - [ -0.0001340800000000, -0.0000722100000000, -0.0000386800000000 ] - [ 0.0006439000000000, -0.0002240600000000, -0.0008503600000000 ] - [ -0.0001374000000000, 0.0000508600000000, -0.0000280600000000 ] - [ -0.0012993100000000, -0.0011044000000000, -0.0016776000000000 ] - [ -0.0001981800000000, 0.0000752800000000, -0.0000086200000000 ] - [ 0.0010110300000000, 0.0002034100000000, 0.0007698500000000 ] - [ 0.0000604600000000, -0.0001305200000000, 0.0000155400000000 ] - [ -0.0002634200000000, -0.0001239900000000, 0.0001215600000000 ] - [ -0.0005285200000000, -0.0000577600000000, 0.0003668300000000 ] - [ -0.0001627000000000, -0.0001405800000000, 0.0002571000000000 ] - [ -0.0020625700000000, -0.0006866600000000, 0.0039666100000000 ] - [ 0.0006537200000000, -0.0000048600000000, 0.0000404800000000 ] - [ -0.0058073100000000, -0.0058830100000000, -0.0205730400000000 ] - [ 0.0006472700000000, -0.0000011600000000, -0.0000426300000000 ] - [ -0.0020625700000000, 0.0006866600000000, 0.0039666100000000 ] - [ 0.0006537200000000, 0.0000048600000000, 0.0000404800000000 ] - [ -0.0058073100000000, 0.0058830100000000, -0.0205730400000000 ] - [ 0.0006472700000000, 0.0000011600000000, -0.0000426300000000 ] - [ 0.0004925800000000, 0.0000233700000000, 0.0004858000000000 ] - [ 0.0008609800000000, 0.0001873500000000, 0.0018046000000000 ] - [ 0.0007917200000000, -0.0000764600000000, -0.0005365400000000 ] - [ 0.0002113500000000, 0.0004535900000000, -0.0018216900000000 ] - [ 0.0004925800000000, -0.0000233700000000, 0.0004858000000000 ] - [ 0.0008609800000000, -0.0001873500000000, 0.0018046000000000 ] - [ 0.0007917200000000, 0.0000764600000000, -0.0005365400000000 ] - [ 0.0002113500000000, -0.0004535900000000, -0.0018216900000000 ] - [ -0.0016411300000000, 0.0000000000000000, -0.0000713000000000 ] - [ 0.0005752200000000, 0.0000000000000000, -0.0000020700000000 ] - [ 0.0020436900000000, 0.0000000000000000, 0.0018637400000000 ] - [ 0.0003361200000000, 0.0000000000000000, 0.0000640400000000 ] - [ -0.0092768000000000, 0.0000000000000000, -0.0073748500000000 ] - [ 0.0004095800000000, 0.0000000000000000, -0.0000637100000000 ] - [ -0.0024114800000000, 0.0000000000000000, 0.0024791800000000 ] - [ 0.0004549100000000, 0.0000000000000000, 0.0000101800000000 ] - [ 0.0000339600000000, 0.0000000000000000, 0.0002913300000000 ] - [ 0.0004010600000000, 0.0000000000000000, -0.0000011000000000 ] - [ -0.0021620700000000, 0.0000000000000000, 0.0011733000000000 ] - [ 0.0004558400000000, 0.0000000000000000, 0.0000594100000000 ] - [ -0.0000407100000000, 0.0000000000000000, -0.0008302300000000 ] - [ 0.0004854400000000, 0.0000000000000000, -0.0000828400000000 ] - [ 0.0006088100000000, 0.0000000000000000, 0.0011068800000000 ] - [ 0.0003369000000000, 0.0000000000000000, 0.0000310200000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0055880300000000, 0.0010841800000000, -0.0039921900000000 ] - [ -0.0023324200000000, -0.0002683600000000, 0.0012314500000000 ] - [ 0.0082354700000000, 0.0017833100000000, -0.0032090100000000 ] - [ -0.0024211100000000, -0.0002603100000000, 0.0012084700000000 ] - [ 0.0055112700000000, 0.0009023300000000, 0.0038137100000000 ] - [ -0.0024008900000000, -0.0004483300000000, -0.0014106100000000 ] - [ 0.0081030100000000, 0.0015636300000000, 0.0029838300000000 ] - [ -0.0024893600000000, -0.0004400300000000, -0.0013865200000000 ] - [ 0.0081030100000000, -0.0015636300000000, -0.0029838300000000 ] - [ -0.0024893600000000, 0.0004400300000000, 0.0013865200000000 ] - [ 0.0055112700000000, -0.0009023300000000, -0.0038137100000000 ] - [ -0.0024008900000000, 0.0004483300000000, 0.0014106100000000 ] - [ 0.0082354700000000, -0.0017833100000000, 0.0032090100000000 ] - [ -0.0024211100000000, 0.0002603100000000, -0.0012084700000000 ] - [ 0.0055880300000000, -0.0010841800000000, 0.0039921900000000 ] - [ -0.0023324200000000, 0.0002683600000000, -0.0012314500000000 ] - [ 0.0043370500000000, -0.0003264700000000, 0.0019641300000000 ] - [ -0.0017495200000000, -0.0000009700000000, -0.0007369400000000 ] - [ 0.0218777100000000, -0.0029170300000000, 0.0057206900000000 ] - [ -0.0017949900000000, 0.0000037400000000, -0.0007313700000000 ] - [ -0.0012602800000000, 0.0000402200000000, 0.0004031500000000 ] - [ -0.0013618100000000, 0.0000421200000000, 0.0007701100000000 ] - [ -0.0019357000000000, 0.0006086400000000, 0.0007004500000000 ] - [ -0.0017432000000000, -0.0009787300000000, 0.0001271600000000 ] - [ 0.0221973500000000, 0.0026244300000000, 0.0060473200000000 ] - [ -0.0016273100000000, -0.0000032200000000, -0.0005580300000000 ] - [ 0.0045099100000000, 0.0003274000000000, 0.0021383700000000 ] - [ -0.0015814600000000, 0.0000009100000000, -0.0005630000000000 ] - [ -0.0019117400000000, 0.0009872600000000, 0.0002965100000000 ] - [ -0.0021018000000000, -0.0006034200000000, 0.0008735700000000 ] - [ -0.0015254300000000, -0.0000413700000000, 0.0009422800000000 ] - [ -0.0014303100000000, -0.0000396700000000, 0.0005780200000000 ] - [ 0.0065025700000000, -0.0004309100000000, 0.0066072600000000 ] - [ -0.0024057900000000, 0.0004493400000000, -0.0014099000000000 ] - [ 0.0535892800000000, -0.0120883300000000, 0.0369155600000000 ] - [ -0.0025420400000000, 0.0004418000000000, -0.0013919300000000 ] - [ 0.0065795200000000, -0.0006112600000000, -0.0067917900000000 ] - [ -0.0023368100000000, 0.0002692400000000, 0.0012303300000000 ] - [ 0.0556077500000000, -0.0129990100000000, -0.0395286600000000 ] - [ -0.0024736000000000, 0.0002621300000000, 0.0012141000000000 ] - [ 0.0556077500000000, 0.0129990100000000, 0.0395286600000000 ] - [ -0.0024736000000000, -0.0002621300000000, -0.0012141000000000 ] - [ 0.0065795200000000, 0.0006112600000000, 0.0067917900000000 ] - [ -0.0023368100000000, -0.0002692400000000, -0.0012303300000000 ] - [ 0.0535892800000000, 0.0120883300000000, -0.0369155600000000 ] - [ -0.0025420400000000, -0.0004418000000000, 0.0013919300000000 ] - [ 0.0065025700000000, 0.0004309100000000, -0.0066072600000000 ] - [ -0.0024057900000000, -0.0004493400000000, 0.0014099000000000 ] - [ -0.0019360200000000, -0.0001823000000000, 0.0007845300000000 ] - [ -0.0012911400000000, -0.0002037700000000, 0.0015475300000000 ] - [ -0.0031899300000000, -0.0004960000000000, 0.0018412900000000 ] - [ -0.0054281600000000, -0.0000981400000000, 0.0004014400000000 ] - [ -0.0013551400000000, -0.0003821200000000, -0.0017263400000000 ] - [ -0.0020061000000000, -0.0003623100000000, -0.0009651900000000 ] - [ -0.0055237400000000, -0.0002763400000000, -0.0005710700000000 ] - [ -0.0032532600000000, -0.0006741200000000, -0.0020159700000000 ] - [ -0.0055237400000000, 0.0002763400000000, 0.0005710700000000 ] - [ -0.0032532600000000, 0.0006741200000000, 0.0020159700000000 ] - [ -0.0013551400000000, 0.0003821200000000, 0.0017263400000000 ] - [ -0.0020061000000000, 0.0003623100000000, 0.0009651900000000 ] - [ -0.0031899300000000, 0.0004960000000000, -0.0018412900000000 ] - [ -0.0054281600000000, 0.0000981400000000, -0.0004014400000000 ] - [ -0.0019360200000000, 0.0001823000000000, -0.0007845300000000 ] - [ -0.0012911400000000, 0.0002037700000000, -0.0015475300000000 ] - [ -0.0015254300000000, 0.0000413700000000, -0.0009422800000000 ] - [ -0.0014303100000000, 0.0000396700000000, -0.0005780200000000 ] - [ -0.0019117400000000, -0.0009872600000000, -0.0002965100000000 ] - [ -0.0021018000000000, 0.0006034200000000, -0.0008735700000000 ] - [ 0.0045099100000000, -0.0003274000000000, -0.0021383700000000 ] - [ -0.0015814600000000, -0.0000009100000000, 0.0005630000000000 ] - [ 0.0221973500000000, -0.0026244300000000, -0.0060473200000000 ] - [ -0.0016273100000000, 0.0000032200000000, 0.0005580300000000 ] - [ -0.0019357000000000, -0.0006086400000000, -0.0007004500000000 ] - [ -0.0017432000000000, 0.0009787300000000, -0.0001271600000000 ] - [ -0.0012602800000000, -0.0000402200000000, -0.0004031500000000 ] - [ -0.0013618100000000, -0.0000421200000000, -0.0007701100000000 ] - [ 0.0218777100000000, 0.0029170300000000, -0.0057206900000000 ] - [ -0.0017949900000000, -0.0000037400000000, 0.0007313700000000 ] - [ 0.0043370500000000, 0.0003264700000000, -0.0019641300000000 ] - [ -0.0017495200000000, 0.0000009700000000, 0.0007369400000000 ] - [ -0.0015631200000000, 0.0004522700000000, -0.0018634900000000 ] - [ -0.0019823400000000, 0.0003493500000000, -0.0010172000000000 ] - [ -0.0014969300000000, 0.0004799200000000, -0.0006721800000000 ] - [ -0.0026017900000000, 0.0004031900000000, -0.0016043200000000 ] - [ -0.0019113200000000, 0.0001690400000000, 0.0008363900000000 ] - [ -0.0014984400000000, 0.0002716500000000, 0.0016846900000000 ] - [ -0.0025327000000000, 0.0002225000000000, 0.0014258800000000 ] - [ -0.0014399800000000, 0.0002991500000000, 0.0005005500000000 ] - [ -0.0025327000000000, -0.0002225000000000, -0.0014258800000000 ] - [ -0.0014399800000000, -0.0002991500000000, -0.0005005500000000 ] - [ -0.0019113200000000, -0.0001690400000000, -0.0008363900000000 ] - [ -0.0014984400000000, -0.0002716500000000, -0.0016846900000000 ] - [ -0.0014969300000000, -0.0004799200000000, 0.0006721800000000 ] - [ -0.0026017900000000, -0.0004031900000000, 0.0016043200000000 ] - [ -0.0015631200000000, -0.0004522700000000, 0.0018634900000000 ] - [ -0.0019823400000000, -0.0003493500000000, 0.0010172000000000 ] - [ -0.3147317900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0081177700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0253021500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0076962100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0508336600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0079975300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0194321100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0076817400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0075222500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0075312100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0054935100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0055063200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0134765000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0134321100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0055503600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0055621800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0037068000000000, -0.0084643800000000, 0.0106867700000000 ] - [ 0.0052895300000000, 0.0001038100000000, -0.0004250500000000 ] - [ 0.0024388000000000, -0.0069835700000000, -0.0110077500000000 ] - [ 0.0051170300000000, 0.0000962900000000, 0.0004793400000000 ] - [ 0.0024606700000000, 0.0069501800000000, -0.0110318300000000 ] - [ 0.0051164000000000, -0.0000972800000000, 0.0004283500000000 ] - [ 0.0037440600000000, 0.0084075700000000, 0.0105995400000000 ] - [ 0.0052895100000000, -0.0001047700000000, -0.0004834800000000 ] - [ 0.0037440600000000, -0.0084075700000000, -0.0105995400000000 ] - [ 0.0052895100000000, 0.0001047700000000, 0.0004834800000000 ] - [ 0.0024606700000000, -0.0069501800000000, 0.0110318300000000 ] - [ 0.0051164000000000, 0.0000972800000000, -0.0004283500000000 ] - [ 0.0024388000000000, 0.0069835700000000, 0.0110077500000000 ] - [ 0.0051170300000000, -0.0000962900000000, -0.0004793400000000 ] - [ 0.0037068000000000, 0.0084643800000000, -0.0106867700000000 ] - [ 0.0052895300000000, -0.0001038100000000, 0.0004250500000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002880500000000, -0.0009703000000000, 0.0006708600000000 ] - [ 0.0000345700000000, 0.0000837200000000, -0.0000895500000000 ] - [ 0.0007234500000000, -0.0098543700000000, -0.0006977600000000 ] - [ 0.0000261400000000, 0.0000831300000000, -0.0000837500000000 ] - [ -0.0003554900000000, -0.0011515300000000, -0.0008616600000000 ] - [ -0.0000342300000000, -0.0000961100000000, -0.0000893900000000 ] - [ 0.0006965300000000, -0.0100657400000000, 0.0005621100000000 ] - [ -0.0000420600000000, -0.0000964500000000, -0.0000944700000000 ] - [ -0.0007234500000000, -0.0098543700000000, 0.0006977600000000 ] - [ -0.0000261400000000, 0.0000831300000000, 0.0000837500000000 ] - [ 0.0002880500000000, -0.0009703000000000, -0.0006708600000000 ] - [ -0.0000345700000000, 0.0000837200000000, 0.0000895500000000 ] - [ -0.0006965300000000, -0.0100657400000000, -0.0005621100000000 ] - [ 0.0000420600000000, -0.0000964500000000, 0.0000944700000000 ] - [ 0.0003554900000000, -0.0011515300000000, 0.0008616600000000 ] - [ 0.0000342300000000, -0.0000961100000000, 0.0000893900000000 ] - [ -0.0000487000000000, -0.0000656800000000, 0.0005942100000000 ] - [ -0.0000773000000000, -0.0000000600000000, -0.0000826200000000 ] - [ 0.0034712200000000, 0.0090278200000000, 0.0056180700000000 ] - [ -0.0000805800000000, 0.0000000300000000, -0.0000852000000000 ] - [ 0.0001655700000000, 0.0000009800000000, -0.0000648100000000 ] - [ -0.0002474000000000, 0.0000006600000000, 0.0001005800000000 ] - [ 0.0002204100000000, -0.0000144200000000, -0.0001621000000000 ] - [ -0.0008055800000000, 0.0000204800000000, 0.0003633400000000 ] - [ -0.0034712200000000, 0.0090278200000000, -0.0056180700000000 ] - [ 0.0000805800000000, 0.0000000300000000, 0.0000852000000000 ] - [ 0.0000487000000000, -0.0000656800000000, -0.0005942100000000 ] - [ 0.0000773000000000, -0.0000000600000000, 0.0000826200000000 ] - [ 0.0008055800000000, 0.0000204800000000, -0.0003633400000000 ] - [ -0.0002204100000000, -0.0000144200000000, 0.0001621000000000 ] - [ 0.0002474000000000, 0.0000006600000000, -0.0001005800000000 ] - [ -0.0001655700000000, 0.0000009800000000, 0.0000648100000000 ] - [ -0.0001563600000000, 0.0013126500000000, -0.0002583900000000 ] - [ -0.0000347600000000, 0.0000961700000000, -0.0000897400000000 ] - [ -0.0159148700000000, 0.0203946900000000, -0.0156892500000000 ] - [ -0.0000424900000000, 0.0000965900000000, -0.0000953500000000 ] - [ -0.0000877800000000, 0.0011233000000000, 0.0000942400000000 ] - [ 0.0000343500000000, -0.0000838000000000, -0.0000894900000000 ] - [ -0.0157079100000000, 0.0205898800000000, 0.0153786600000000 ] - [ 0.0000255500000000, -0.0000830500000000, -0.0000829600000000 ] - [ 0.0159148700000000, 0.0203946900000000, 0.0156892500000000 ] - [ 0.0000424900000000, 0.0000965900000000, 0.0000953500000000 ] - [ 0.0001563600000000, 0.0013126500000000, 0.0002583900000000 ] - [ 0.0000347600000000, 0.0000961700000000, 0.0000897400000000 ] - [ 0.0157079100000000, 0.0205898800000000, -0.0153786600000000 ] - [ -0.0000255500000000, -0.0000830500000000, 0.0000829600000000 ] - [ 0.0000877800000000, 0.0011233000000000, -0.0000942400000000 ] - [ -0.0000343500000000, -0.0000838000000000, 0.0000894900000000 ] - [ 0.0000056900000000, 0.0001105000000000, -0.0000506800000000 ] - [ 0.0005626600000000, 0.0009154700000000, -0.0007642900000000 ] - [ -0.0000090900000000, 0.0001478600000000, -0.0000816600000000 ] - [ 0.0009704800000000, 0.0009148700000000, -0.0002625300000000 ] - [ 0.0004914400000000, 0.0007310000000000, 0.0005821100000000 ] - [ -0.0000619900000000, -0.0000689800000000, -0.0001269200000000 ] - [ 0.0009229000000000, 0.0007350200000000, 0.0000850400000000 ] - [ -0.0000805800000000, -0.0000333400000000, -0.0000990200000000 ] - [ -0.0009704800000000, 0.0009148700000000, 0.0002625300000000 ] - [ 0.0000090900000000, 0.0001478600000000, 0.0000816600000000 ] - [ -0.0005626600000000, 0.0009154700000000, 0.0007642900000000 ] - [ -0.0000056900000000, 0.0001105000000000, 0.0000506800000000 ] - [ 0.0000805800000000, -0.0000333400000000, 0.0000990200000000 ] - [ -0.0009229000000000, 0.0007350200000000, -0.0000850400000000 ] - [ 0.0000619900000000, -0.0000689800000000, 0.0001269200000000 ] - [ -0.0004914400000000, 0.0007310000000000, -0.0005821100000000 ] - [ -0.0004131400000000, 0.0000008300000000, -0.0002724800000000 ] - [ -0.0000021100000000, 0.0000013900000000, -0.0001093900000000 ] - [ -0.0009766900000000, 0.0000285800000000, -0.0005395400000000 ] - [ 0.0000527600000000, -0.0000096400000000, -0.0000109600000000 ] - [ 0.0001161900000000, -0.0000520500000000, -0.0007681800000000 ] - [ 0.0000903900000000, 0.0000000600000000, -0.0000915100000000 ] - [ 0.0042657900000000, 0.0109274700000000, -0.0065109100000000 ] - [ 0.0000862700000000, -0.0000000400000000, -0.0000879700000000 ] - [ -0.0000527600000000, -0.0000096400000000, 0.0000109600000000 ] - [ 0.0009766900000000, 0.0000285800000000, 0.0005395400000000 ] - [ 0.0000021100000000, 0.0000013900000000, 0.0001093900000000 ] - [ 0.0004131400000000, 0.0000008300000000, 0.0002724800000000 ] - [ -0.0042657900000000, 0.0109274700000000, 0.0065109100000000 ] - [ -0.0000862700000000, -0.0000000400000000, 0.0000879700000000 ] - [ -0.0001161900000000, -0.0000520500000000, 0.0007681800000000 ] - [ -0.0000903900000000, 0.0000000600000000, 0.0000915100000000 ] - [ 0.0004629500000000, -0.0007117700000000, 0.0005476800000000 ] - [ -0.0000605100000000, 0.0000683300000000, -0.0001315200000000 ] - [ 0.0002451900000000, -0.0006832500000000, -0.0000830300000000 ] - [ -0.0000749000000000, 0.0000227700000000, -0.0000736200000000 ] - [ 0.0000076200000000, -0.0001112400000000, -0.0000471300000000 ] - [ 0.0005345900000000, -0.0008962900000000, -0.0007300100000000 ] - [ -0.0000077900000000, -0.0001567600000000, -0.0001046000000000 ] - [ 0.0003226600000000, -0.0008600600000000, -0.0000923100000000 ] - [ 0.0000749000000000, 0.0000227700000000, 0.0000736200000000 ] - [ -0.0002451900000000, -0.0006832500000000, 0.0000830300000000 ] - [ 0.0000605100000000, 0.0000683300000000, 0.0001315200000000 ] - [ -0.0004629500000000, -0.0007117700000000, -0.0005476800000000 ] - [ -0.0003226600000000, -0.0008600600000000, 0.0000923100000000 ] - [ 0.0000077900000000, -0.0001567600000000, 0.0001046000000000 ] - [ -0.0005345900000000, -0.0008962900000000, 0.0007300100000000 ] - [ -0.0000076200000000, -0.0001112400000000, 0.0000471300000000 ] - [ 0.0000000000000000, -0.1901447500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000150100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0030072500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000161800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.1045204400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000150600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0031764400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000167400000000, 0.0000000000000000 ] - [ 0.0000096700000000, 0.0013701900000000, 0.0002254300000000 ] - [ -0.0000096700000000, 0.0013701900000000, -0.0002254300000000 ] - [ 0.0000022100000000, 0.0006070500000000, -0.0005953300000000 ] - [ -0.0000022100000000, 0.0006070500000000, 0.0005953300000000 ] - [ -0.0000134100000000, -0.0015209200000000, -0.0003554700000000 ] - [ 0.0000134100000000, -0.0015209200000000, 0.0003554700000000 ] - [ -0.0000000600000000, -0.0005912500000000, -0.0005637600000000 ] - [ 0.0000000600000000, -0.0005912500000000, 0.0005637600000000 ] - [ -0.0080016100000000, -0.0008073600000000, -0.0065714000000000 ] - [ 0.0000319700000000, 0.0000031600000000, 0.0000170800000000 ] - [ -0.0036867800000000, 0.0016171300000000, 0.0037717400000000 ] - [ 0.0000723300000000, -0.0000019200000000, 0.0000377600000000 ] - [ 0.0036867800000000, 0.0016171300000000, -0.0037717400000000 ] - [ -0.0000723300000000, -0.0000019200000000, -0.0000377600000000 ] - [ 0.0080016100000000, -0.0008073600000000, 0.0065714000000000 ] - [ -0.0000319700000000, 0.0000031600000000, -0.0000170800000000 ] - [ -0.0080509900000000, -0.0008727700000000, 0.0066643500000000 ] - [ 0.0000309700000000, 0.0000021500000000, 0.0000385600000000 ] - [ -0.0036835000000000, 0.0015552400000000, -0.0037076400000000 ] - [ 0.0000718900000000, -0.0000027800000000, 0.0000165300000000 ] - [ 0.0036835000000000, 0.0015552400000000, 0.0037076400000000 ] - [ -0.0000718900000000, -0.0000027800000000, -0.0000165300000000 ] - [ 0.0080509900000000, -0.0008727700000000, -0.0066643500000000 ] - [ -0.0000309700000000, 0.0000021500000000, -0.0000385600000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0019156900000000, 0.0007640600000000, -0.0038180800000000 ] - [ 0.0000860000000000, 0.0001019200000000, -0.0001443700000000 ] - [ -0.0015225800000000, -0.0009194100000000, 0.0052347600000000 ] - [ -0.0000169900000000, 0.0000817100000000, -0.0000352000000000 ] - [ -0.0019156900000000, -0.0007640600000000, -0.0038180800000000 ] - [ -0.0000860000000000, -0.0001019200000000, -0.0001443700000000 ] - [ 0.0015225800000000, 0.0009194100000000, 0.0052347600000000 ] - [ 0.0000169900000000, -0.0000817100000000, -0.0000352000000000 ] - [ -0.0016344000000000, 0.0011342900000000, 0.0054643400000000 ] - [ -0.0000845200000000, 0.0000980200000000, 0.0001427400000000 ] - [ 0.0018554100000000, -0.0005823600000000, -0.0036493200000000 ] - [ 0.0000177800000000, 0.0000779300000000, 0.0000343500000000 ] - [ 0.0016344000000000, -0.0011342900000000, 0.0054643400000000 ] - [ 0.0000845200000000, -0.0000980200000000, 0.0001427400000000 ] - [ -0.0018554100000000, 0.0005823600000000, -0.0036493200000000 ] - [ -0.0000177800000000, -0.0000779300000000, 0.0000343500000000 ] - [ -0.0011207700000000, 0.0005820900000000, -0.0040461300000000 ] - [ -0.0001078500000000, 0.0000000800000000, -0.0001267600000000 ] - [ 0.0043836800000000, -0.0029281300000000, 0.0204277000000000 ] - [ -0.0000561800000000, 0.0000000500000000, -0.0000445000000000 ] - [ 0.0000250700000000, 0.0000046400000000, -0.0005736700000000 ] - [ 0.0017251800000000, -0.0000815000000000, -0.0018857700000000 ] - [ 0.0002631800000000, -0.0000538500000000, 0.0004522200000000 ] - [ -0.0012945300000000, -0.0001258400000000, 0.0017300300000000 ] - [ 0.0047088400000000, 0.0025945800000000, 0.0207823900000000 ] - [ 0.0001108800000000, 0.0000002600000000, 0.0001286000000000 ] - [ -0.0009584600000000, -0.0005654000000000, -0.0038689100000000 ] - [ 0.0000597800000000, -0.0000001500000000, 0.0000469400000000 ] - [ -0.0014618200000000, 0.0001254200000000, 0.0019054900000000 ] - [ 0.0000941800000000, 0.0000537600000000, 0.0006265600000000 ] - [ 0.0015549800000000, 0.0000821200000000, -0.0017111400000000 ] - [ -0.0001415300000000, -0.0000042000000000, -0.0004004200000000 ] - [ -0.0022312700000000, 0.0005005200000000, -0.0083591700000000 ] - [ -0.0000881900000000, 0.0001022100000000, -0.0001455500000000 ] - [ 0.0363131900000000, -0.0118770800000000, 0.0473099900000000 ] - [ 0.0000181700000000, 0.0000818400000000, -0.0000356500000000 ] - [ 0.0022312700000000, -0.0005005200000000, -0.0083591700000000 ] - [ 0.0000881900000000, -0.0001022100000000, -0.0001455500000000 ] - [ -0.0363131900000000, 0.0118770800000000, 0.0473099900000000 ] - [ -0.0000181700000000, -0.0000818400000000, -0.0000356500000000 ] - [ 0.0386538300000000, 0.0127041100000000, 0.0490740400000000 ] - [ 0.0000858000000000, 0.0000979100000000, 0.0001423300000000 ] - [ -0.0021822700000000, -0.0003256900000000, -0.0081593600000000 ] - [ -0.0000195600000000, 0.0000777200000000, 0.0000335300000000 ] - [ -0.0386538300000000, -0.0127041100000000, 0.0490740400000000 ] - [ -0.0000858000000000, -0.0000979100000000, 0.0001423300000000 ] - [ 0.0021822700000000, 0.0003256900000000, -0.0081593600000000 ] - [ 0.0000195600000000, -0.0000777200000000, 0.0000335300000000 ] - [ 0.0000291900000000, 0.0002144300000000, -0.0004379200000000 ] - [ 0.0023897300000000, 0.0004943000000000, -0.0027246700000000 ] - [ 0.0000203800000000, -0.0000475200000000, 0.0003468500000000 ] - [ -0.0052301600000000, -0.0004714300000000, 0.0031430000000000 ] - [ -0.0023897300000000, -0.0004943000000000, -0.0027246700000000 ] - [ -0.0000291900000000, -0.0002144300000000, -0.0004379200000000 ] - [ 0.0052301600000000, 0.0004714300000000, 0.0031430000000000 ] - [ -0.0000203800000000, 0.0000475200000000, 0.0003468500000000 ] - [ -0.0052984800000000, 0.0006524900000000, 0.0033276500000000 ] - [ -0.0000501400000000, 0.0002276300000000, 0.0005269100000000 ] - [ 0.0023150800000000, -0.0003154500000000, -0.0025463900000000 ] - [ -0.0000361100000000, -0.0000350600000000, -0.0002608400000000 ] - [ 0.0000501400000000, -0.0002276300000000, 0.0005269100000000 ] - [ 0.0052984800000000, -0.0006524900000000, 0.0033276500000000 ] - [ 0.0000361100000000, 0.0000350600000000, -0.0002608400000000 ] - [ -0.0023150800000000, 0.0003154500000000, -0.0025463900000000 ] - [ -0.0017251800000000, 0.0000815000000000, -0.0018857700000000 ] - [ -0.0000250700000000, -0.0000046400000000, -0.0005736700000000 ] - [ 0.0012945300000000, 0.0001258400000000, 0.0017300300000000 ] - [ -0.0002631800000000, 0.0000538500000000, 0.0004522200000000 ] - [ 0.0011207700000000, -0.0005820900000000, -0.0040461300000000 ] - [ 0.0001078500000000, -0.0000000800000000, -0.0001267600000000 ] - [ -0.0043836800000000, 0.0029281300000000, 0.0204277000000000 ] - [ 0.0000561800000000, -0.0000000500000000, -0.0000445000000000 ] - [ -0.0000941800000000, -0.0000537600000000, 0.0006265600000000 ] - [ 0.0014618200000000, -0.0001254200000000, 0.0019054900000000 ] - [ 0.0001415300000000, 0.0000042000000000, -0.0004004200000000 ] - [ -0.0015549800000000, -0.0000821200000000, -0.0017111400000000 ] - [ -0.0047088400000000, -0.0025945800000000, 0.0207823900000000 ] - [ -0.0001108800000000, -0.0000002600000000, 0.0001286000000000 ] - [ 0.0009584600000000, 0.0005654000000000, -0.0038689100000000 ] - [ -0.0000597800000000, 0.0000001500000000, 0.0000469400000000 ] - [ -0.0024675900000000, 0.0004956800000000, -0.0028917200000000 ] - [ -0.0000386200000000, 0.0002152800000000, -0.0004213900000000 ] - [ 0.0023759000000000, -0.0003403400000000, 0.0023836000000000 ] - [ -0.0000330500000000, -0.0000079200000000, 0.0002454500000000 ] - [ 0.0000386200000000, -0.0002152800000000, -0.0004213900000000 ] - [ 0.0024675900000000, -0.0004956800000000, -0.0028917200000000 ] - [ 0.0000330500000000, 0.0000079200000000, 0.0002454500000000 ] - [ -0.0023759000000000, 0.0003403400000000, 0.0023836000000000 ] - [ 0.0000379300000000, 0.0001883900000000, 0.0004259600000000 ] - [ 0.0024392900000000, 0.0005206200000000, 0.0025642700000000 ] - [ 0.0000284700000000, -0.0000355700000000, -0.0002438600000000 ] - [ -0.0023960500000000, -0.0003158600000000, -0.0027127300000000 ] - [ -0.0024392900000000, -0.0005206200000000, 0.0025642700000000 ] - [ -0.0000379300000000, -0.0001883900000000, 0.0004259600000000 ] - [ 0.0023960500000000, 0.0003158600000000, -0.0027127300000000 ] - [ -0.0000284700000000, 0.0000355700000000, -0.0002438600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2835409900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001893200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0272879400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001865200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0436670100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001844500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0144386900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001851900000000 ] - [ -0.0000043200000000, -0.0002252800000000, -0.0049846900000000 ] - [ 0.0000043200000000, 0.0002252800000000, -0.0049846900000000 ] - [ 0.0000036800000000, 0.0005952300000000, 0.0047545700000000 ] - [ -0.0000036800000000, -0.0005952300000000, 0.0047545700000000 ] - [ -0.0000052700000000, -0.0003557600000000, -0.0074969200000000 ] - [ 0.0000052700000000, 0.0003557600000000, -0.0074969200000000 ] - [ 0.0000046200000000, -0.0005644600000000, 0.0048901800000000 ] - [ -0.0000046200000000, 0.0005644600000000, 0.0048901800000000 ] - [ 0.0113749700000000, -0.0072077100000000, 0.0051232500000000 ] - [ -0.0002883700000000, -0.0000115900000000, 0.0000060800000000 ] - [ -0.0098316200000000, 0.0066093200000000, 0.0090574300000000 ] - [ 0.0002564900000000, 0.0000101400000000, 0.0000713800000000 ] - [ -0.0098661200000000, -0.0066387400000000, 0.0089851900000000 ] - [ 0.0002561400000000, -0.0000101700000000, 0.0000145700000000 ] - [ 0.0113585100000000, 0.0071704400000000, 0.0051137300000000 ] - [ -0.0002895700000000, 0.0000117800000000, -0.0000492500000000 ] - [ -0.0113749700000000, 0.0072077100000000, 0.0051232500000000 ] - [ 0.0002883700000000, 0.0000115900000000, 0.0000060800000000 ] - [ 0.0098316200000000, -0.0066093200000000, 0.0090574300000000 ] - [ -0.0002564900000000, -0.0000101400000000, 0.0000713800000000 ] - [ 0.0098661200000000, 0.0066387400000000, 0.0089851900000000 ] - [ -0.0002561400000000, 0.0000101700000000, 0.0000145700000000 ] - [ -0.0113585100000000, -0.0071704400000000, 0.0051137300000000 ] - [ 0.0002895700000000, -0.0000117800000000, -0.0000492500000000 ]- atom: 113 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0052014600000000, 0.0024197400000000, -0.0022851200000000 ] - [ -0.0015594800000000, -0.0001334100000000, 0.0007509300000000 ] - [ 0.0041058600000000, 0.0001266400000000, -0.0039738500000000 ] - [ -0.0015873500000000, -0.0001526800000000, 0.0008086200000000 ] - [ -0.0010040100000000, -0.0005211300000000, 0.0002197000000000 ] - [ -0.0017134300000000, -0.0002985200000000, -0.0010911300000000 ] - [ -0.0016077200000000, -0.0004996200000000, -0.0017623900000000 ] - [ -0.0014955500000000, -0.0002709000000000, -0.0007823400000000 ] - [ -0.0021071900000000, -0.0007043600000000, -0.0000289900000000 ] - [ -0.0018618800000000, 0.0003945800000000, 0.0011048000000000 ] - [ -0.0011367700000000, 0.0003199400000000, 0.0012571500000000 ] - [ -0.0014653400000000, 0.0003332500000000, 0.0008455100000000 ] - [ 0.0033163600000000, -0.0018388000000000, -0.0004643700000000 ] - [ -0.0015893500000000, 0.0001446600000000, -0.0007751800000000 ] - [ 0.0035258200000000, -0.0008999700000000, 0.0028993100000000 ] - [ -0.0015504400000000, 0.0001490600000000, -0.0007808600000000 ] - [ -0.0013819100000000, 0.0000000000000000, 0.0015439600000000 ] - [ -0.0013230800000000, 0.0000000000000000, -0.0006582300000000 ] - [ -0.0015841800000000, 0.0000000000000000, -0.0021264500000000 ] - [ -0.0011458700000000, 0.0000000000000000, -0.0004199800000000 ] - [ -0.0012153600000000, 0.0000000000000000, -0.0017351900000000 ] - [ -0.0011556900000000, 0.0000000000000000, 0.0004852500000000 ] - [ -0.0014137200000000, 0.0000000000000000, 0.0019547200000000 ] - [ -0.0009793300000000, 0.0000000000000000, 0.0002481000000000 ] - [ 0.0152497900000000, 0.0000000000000000, 0.0088959900000000 ] - [ -0.0010578200000000, 0.0000000000000000, -0.0003224600000000 ] - [ 0.0016965400000000, 0.0000000000000000, 0.0024938400000000 ] - [ -0.0010234900000000, 0.0000000000000000, -0.0003671900000000 ] - [ 0.0157128200000000, 0.0000000000000000, -0.0093151100000000 ] - [ -0.0012239600000000, 0.0000000000000000, 0.0004941700000000 ] - [ 0.0015366400000000, 0.0000000000000000, -0.0023226100000000 ] - [ -0.0011901600000000, 0.0000000000000000, 0.0005389800000000 ] - [ -0.0010040100000000, 0.0005211300000000, 0.0002197000000000 ] - [ -0.0017134300000000, 0.0002985200000000, -0.0010911300000000 ] - [ -0.0016077200000000, 0.0004996200000000, -0.0017623900000000 ] - [ -0.0014955500000000, 0.0002709000000000, -0.0007823400000000 ] - [ 0.0052014600000000, -0.0024197400000000, -0.0022851200000000 ] - [ -0.0015594800000000, 0.0001334100000000, 0.0007509300000000 ] - [ 0.0041058600000000, -0.0001266400000000, -0.0039738500000000 ] - [ -0.0015873500000000, 0.0001526800000000, 0.0008086200000000 ] - [ 0.0033163600000000, 0.0018388000000000, -0.0004643700000000 ] - [ -0.0015893500000000, -0.0001446600000000, -0.0007751800000000 ] - [ 0.0035258200000000, 0.0008999700000000, 0.0028993100000000 ] - [ -0.0015504400000000, -0.0001490600000000, -0.0007808600000000 ] - [ -0.0021071900000000, 0.0007043600000000, -0.0000289900000000 ] - [ -0.0018618800000000, -0.0003945800000000, 0.0011048000000000 ] - [ -0.0011367700000000, -0.0003199400000000, 0.0012571500000000 ] - [ -0.0014653400000000, -0.0003332500000000, 0.0008455100000000 ] - [ -0.0009290100000000, -0.0003435600000000, -0.0004073500000000 ] - [ -0.0016450200000000, -0.0001188200000000, 0.0009123900000000 ] - [ -0.0015415700000000, -0.0003196800000000, 0.0015899000000000 ] - [ -0.0014281700000000, -0.0000906700000000, 0.0006059400000000 ] - [ 0.0052799600000000, 0.0024218800000000, 0.0023377000000000 ] - [ -0.0016274800000000, -0.0003136200000000, -0.0009282300000000 ] - [ 0.0040490000000000, -0.0000539800000000, 0.0038048600000000 ] - [ -0.0016560900000000, -0.0003327300000000, -0.0009865900000000 ] - [ 0.0033293400000000, -0.0016100100000000, 0.0005918000000000 ] - [ -0.0016558800000000, 0.0003242400000000, 0.0009515800000000 ] - [ 0.0034588100000000, -0.0007192400000000, -0.0027171000000000 ] - [ -0.0016180700000000, 0.0003285900000000, 0.0009579900000000 ] - [ -0.0020440700000000, -0.0008944000000000, 0.0002159600000000 ] - [ -0.0017921700000000, 0.0002142300000000, -0.0009260000000000 ] - [ -0.0010600500000000, 0.0001357900000000, -0.0010731800000000 ] - [ -0.0013997000000000, 0.0001531800000000, -0.0006689600000000 ] - [ 0.0012399300000000, 0.0000000000000000, -0.0001271800000000 ] - [ -0.0011902100000000, 0.0000000000000000, -0.0004863200000000 ] - [ 0.0020337900000000, 0.0000000000000000, 0.0020711500000000 ] - [ -0.0011975700000000, 0.0000000000000000, -0.0005393300000000 ] - [ 0.0013961300000000, 0.0000000000000000, -0.0000405900000000 ] - [ -0.0010231700000000, 0.0000000000000000, 0.0003144800000000 ] - [ 0.0021945600000000, 0.0000000000000000, -0.0022430100000000 ] - [ -0.0010308900000000, 0.0000000000000000, 0.0003679500000000 ] - [ -0.0006658600000000, 0.0000000000000000, 0.0001291800000000 ] - [ -0.0010752600000000, 0.0000000000000000, -0.0003968800000000 ] - [ -0.0000414000000000, 0.0000000000000000, -0.0005175900000000 ] - [ -0.0009251400000000, 0.0000000000000000, -0.0002483800000000 ] - [ -0.0008383000000000, 0.0000000000000000, 0.0000421400000000 ] - [ -0.0012406200000000, 0.0000000000000000, 0.0005680100000000 ] - [ -0.0002132400000000, 0.0000000000000000, 0.0006926200000000 ] - [ -0.0010909000000000, 0.0000000000000000, 0.0004208900000000 ] - [ 0.0052799600000000, -0.0024218800000000, 0.0023377000000000 ] - [ -0.0016274800000000, 0.0003136200000000, -0.0009282300000000 ] - [ 0.0040490000000000, 0.0000539800000000, 0.0038048600000000 ] - [ -0.0016560900000000, 0.0003327300000000, -0.0009865900000000 ] - [ -0.0009290100000000, 0.0003435600000000, -0.0004073500000000 ] - [ -0.0016450200000000, 0.0001188200000000, 0.0009123900000000 ] - [ -0.0015415700000000, 0.0003196800000000, 0.0015899000000000 ] - [ -0.0014281700000000, 0.0000906700000000, 0.0006059400000000 ] - [ -0.0020440700000000, 0.0008944000000000, 0.0002159600000000 ] - [ -0.0017921700000000, -0.0002142300000000, -0.0009260000000000 ] - [ -0.0010600500000000, -0.0001357900000000, -0.0010731800000000 ] - [ -0.0013997000000000, -0.0001531800000000, -0.0006689600000000 ] - [ 0.0033293400000000, 0.0016100100000000, 0.0005918000000000 ] - [ -0.0016558800000000, -0.0003242400000000, 0.0009515800000000 ] - [ 0.0034588100000000, 0.0007192400000000, -0.0027171000000000 ] - [ -0.0016180700000000, -0.0003285900000000, 0.0009579900000000 ] - [ 0.0037334900000000, -0.0079939300000000, 0.0113420000000000 ] - [ 0.0052895500000000, 0.0000317800000000, -0.0002903500000000 ] - [ 0.0024734100000000, -0.0036758400000000, -0.0098451300000000 ] - [ 0.0051141100000000, 0.0000721100000000, 0.0002567000000000 ] - [ 0.0037334900000000, 0.0079939300000000, 0.0113420000000000 ] - [ 0.0052895500000000, -0.0000317800000000, -0.0002903500000000 ] - [ 0.0024734100000000, 0.0036758400000000, -0.0098451300000000 ] - [ 0.0051141100000000, -0.0000721100000000, 0.0002567000000000 ] - [ 0.0037188600000000, -0.0080552000000000, -0.0113903500000000 ] - [ 0.0052892700000000, 0.0000319700000000, 0.0002884400000000 ] - [ 0.0024297100000000, -0.0036968300000000, 0.0098526000000000 ] - [ 0.0051166600000000, 0.0000711500000000, -0.0002559500000000 ] - [ 0.0037188600000000, 0.0080552000000000, -0.0113903500000000 ] - [ 0.0052892700000000, -0.0000319700000000, 0.0002884400000000 ] - [ 0.0024297100000000, 0.0036968300000000, 0.0098526000000000 ] - [ 0.0051166600000000, -0.0000711500000000, -0.0002559500000000 ] - [ -0.0757414200000000, 0.0000000000000000, 0.0003234300000000 ] - [ 0.0034869900000000, 0.0000000000000000, 0.0000280900000000 ] - [ -0.0099993200000000, 0.0000000000000000, 0.0000221400000000 ] - [ 0.0034183600000000, 0.0000000000000000, 0.0000270400000000 ] - [ 0.0049710900000000, 0.0000000000000000, -0.0006537100000000 ] - [ 0.0049869800000000, 0.0000000000000000, 0.0006064000000000 ] - [ 0.0029341000000000, 0.0000000000000000, 0.0004528900000000 ] - [ 0.0029307200000000, 0.0000000000000000, -0.0005149100000000 ] - [ 0.0036895400000000, 0.0000000000000000, -0.0002833800000000 ] - [ 0.0036901500000000, 0.0000000000000000, 0.0003433200000000 ] - [ 0.0025971600000000, 0.0000000000000000, 0.0003129000000000 ] - [ 0.0025918600000000, 0.0000000000000000, -0.0002605800000000 ] - [ -0.0194539500000000, 0.0000000000000000, -0.0000335500000000 ] - [ 0.0034635900000000, 0.0000000000000000, -0.0000279600000000 ] - [ -0.0095302000000000, 0.0000000000000000, -0.0000292100000000 ] - [ 0.0034195000000000, 0.0000000000000000, -0.0000287600000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0010328200000000, 0.0050894400000000, -0.0024350100000000 ] - [ 0.0000449000000000, 0.0000948100000000, -0.0000940600000000 ] - [ -0.0001319800000000, 0.0003920600000000, -0.0012356900000000 ] - [ 0.0000467500000000, 0.0000956700000000, -0.0000968100000000 ] - [ -0.0009879000000000, -0.0004037600000000, -0.0002482000000000 ] - [ 0.0000470500000000, -0.0000906000000000, -0.0000866400000000 ] - [ -0.0009939700000000, -0.0005910100000000, -0.0009386700000000 ] - [ 0.0000306100000000, -0.0000917800000000, -0.0000896400000000 ] - [ -0.0010510500000000, 0.0003847500000000, 0.0002267800000000 ] - [ 0.0000546500000000, 0.0000909000000000, 0.0000865900000000 ] - [ -0.0009557500000000, 0.0005722500000000, 0.0009061600000000 ] - [ 0.0000253700000000, 0.0000915500000000, 0.0000906200000000 ] - [ -0.0037467400000000, 0.0007362800000000, -0.0032438100000000 ] - [ 0.0000451400000000, -0.0000949800000000, 0.0000944000000000 ] - [ 0.0001863700000000, -0.0004746200000000, 0.0010375000000000 ] - [ 0.0000456100000000, -0.0000951100000000, 0.0000958000000000 ] - [ -0.0000821600000000, 0.0020748700000000, -0.0000836100000000 ] - [ -0.0000823100000000, 0.0000302800000000, -0.0000850400000000 ] - [ -0.0000887600000000, 0.0016301000000000, -0.0000919100000000 ] - [ -0.0000827300000000, 0.0000317100000000, -0.0000856200000000 ] - [ 0.0000821600000000, 0.0020748700000000, -0.0000836100000000 ] - [ 0.0000823100000000, 0.0000302800000000, -0.0000850400000000 ] - [ 0.0000887600000000, 0.0016301000000000, -0.0000919100000000 ] - [ 0.0000827300000000, 0.0000317100000000, -0.0000856200000000 ] - [ 0.0000922700000000, 0.0039685600000000, 0.0000924100000000 ] - [ 0.0000824300000000, 0.0000250300000000, 0.0000850300000000 ] - [ 0.0000815900000000, 0.0020105100000000, 0.0000843200000000 ] - [ 0.0000826800000000, 0.0000224700000000, 0.0000852700000000 ] - [ -0.0000922700000000, 0.0039685600000000, 0.0000924100000000 ] - [ -0.0000824300000000, 0.0000250300000000, 0.0000850300000000 ] - [ -0.0000815900000000, 0.0020105100000000, 0.0000843200000000 ] - [ -0.0000826800000000, 0.0000224700000000, 0.0000852700000000 ] - [ 0.0009225400000000, -0.0002214500000000, 0.0000696400000000 ] - [ -0.0001164700000000, 0.0000900000000000, -0.0000918200000000 ] - [ 0.0009309100000000, -0.0004124000000000, 0.0007657900000000 ] - [ -0.0001002800000000, 0.0000890300000000, -0.0000890900000000 ] - [ -0.0011538500000000, 0.0050513200000000, 0.0024922200000000 ] - [ 0.0000231700000000, -0.0000852600000000, -0.0000829500000000 ] - [ 0.0002002200000000, 0.0002224800000000, 0.0010575300000000 ] - [ 0.0000230400000000, -0.0000846900000000, -0.0000822700000000 ] - [ 0.0037384400000000, 0.0011180400000000, 0.0033724700000000 ] - [ 0.0000217200000000, 0.0000845500000000, 0.0000820700000000 ] - [ -0.0001136200000000, -0.0002910800000000, -0.0008590900000000 ] - [ 0.0000219600000000, 0.0000845000000000, 0.0000810700000000 ] - [ 0.0009805300000000, 0.0002128600000000, -0.0000480000000000 ] - [ -0.0001226800000000, -0.0000886300000000, 0.0000913000000000 ] - [ 0.0008864500000000, 0.0003914000000000, -0.0007270100000000 ] - [ -0.0000934600000000, -0.0000884100000000, 0.0000871000000000 ] - [ -0.0009225400000000, -0.0002214500000000, 0.0000696400000000 ] - [ 0.0001164700000000, 0.0000900000000000, -0.0000918200000000 ] - [ -0.0009309100000000, -0.0004124000000000, 0.0007657900000000 ] - [ 0.0001002800000000, 0.0000890300000000, -0.0000890900000000 ] - [ 0.0011538500000000, 0.0050513200000000, 0.0024922200000000 ] - [ -0.0000231700000000, -0.0000852600000000, -0.0000829500000000 ] - [ -0.0002002200000000, 0.0002224800000000, 0.0010575300000000 ] - [ -0.0000230400000000, -0.0000846900000000, -0.0000822700000000 ] - [ -0.0037384400000000, 0.0011180400000000, 0.0033724700000000 ] - [ -0.0000217200000000, 0.0000845500000000, 0.0000820700000000 ] - [ 0.0001136200000000, -0.0002910800000000, -0.0008590900000000 ] - [ -0.0000219600000000, 0.0000845000000000, 0.0000810700000000 ] - [ -0.0009805300000000, 0.0002128600000000, -0.0000480000000000 ] - [ 0.0001226800000000, -0.0000886300000000, 0.0000913000000000 ] - [ -0.0008864500000000, 0.0003914000000000, -0.0007270100000000 ] - [ 0.0000934600000000, -0.0000884100000000, 0.0000871000000000 ] - [ -0.0000937500000000, -0.0034700500000000, -0.0000958400000000 ] - [ -0.0000826500000000, -0.0000232700000000, -0.0000850300000000 ] - [ -0.0000860100000000, -0.0021393900000000, -0.0000828800000000 ] - [ -0.0000831000000000, -0.0000237100000000, -0.0000856700000000 ] - [ 0.0000937500000000, -0.0034700500000000, -0.0000958400000000 ] - [ 0.0000826500000000, -0.0000232700000000, -0.0000850300000000 ] - [ 0.0000860100000000, -0.0021393900000000, -0.0000828800000000 ] - [ 0.0000831000000000, -0.0000237100000000, -0.0000856700000000 ] - [ 0.0000796100000000, -0.0021353500000000, 0.0000877100000000 ] - [ 0.0000823200000000, -0.0000333600000000, 0.0000851500000000 ] - [ 0.0000812300000000, -0.0015661300000000, 0.0000839000000000 ] - [ 0.0000828800000000, -0.0000294800000000, 0.0000860200000000 ] - [ -0.0000796100000000, -0.0021353500000000, 0.0000877100000000 ] - [ -0.0000823200000000, -0.0000333600000000, 0.0000851500000000 ] - [ -0.0000812300000000, -0.0015661300000000, 0.0000839000000000 ] - [ -0.0000828800000000, -0.0000294800000000, 0.0000860200000000 ] - [ -0.0010328200000000, 0.0050894400000000, -0.0024350100000000 ] - [ -0.0000449000000000, 0.0000948100000000, -0.0000940600000000 ] - [ 0.0001319800000000, 0.0003920600000000, -0.0012356900000000 ] - [ -0.0000467500000000, 0.0000956700000000, -0.0000968100000000 ] - [ 0.0009879000000000, -0.0004037600000000, -0.0002482000000000 ] - [ -0.0000470500000000, -0.0000906000000000, -0.0000866400000000 ] - [ 0.0009939700000000, -0.0005910100000000, -0.0009386700000000 ] - [ -0.0000306100000000, -0.0000917800000000, -0.0000896400000000 ] - [ 0.0010510500000000, 0.0003847500000000, 0.0002267800000000 ] - [ -0.0000546500000000, 0.0000909000000000, 0.0000865900000000 ] - [ 0.0009557500000000, 0.0005722500000000, 0.0009061600000000 ] - [ -0.0000253700000000, 0.0000915500000000, 0.0000906200000000 ] - [ 0.0037467400000000, 0.0007362800000000, -0.0032438100000000 ] - [ -0.0000451400000000, -0.0000949800000000, 0.0000944000000000 ] - [ -0.0001863700000000, -0.0004746200000000, 0.0010375000000000 ] - [ -0.0000456100000000, -0.0000951100000000, 0.0000958000000000 ] - [ -0.0084515600000000, -0.0008803500000000, -0.0072039300000000 ] - [ 0.0001041300000000, 0.0000027500000000, -0.0000113200000000 ] - [ -0.0069742800000000, 0.0015771400000000, 0.0066314800000000 ] - [ 0.0000958800000000, -0.0000023300000000, 0.0000099500000000 ] - [ 0.0084194700000000, -0.0007990900000000, 0.0071756400000000 ] - [ -0.0001049900000000, 0.0000030700000000, 0.0000123100000000 ] - [ 0.0069599900000000, 0.0015945700000000, -0.0066184200000000 ] - [ -0.0000967900000000, -0.0000022900000000, -0.0000102800000000 ] - [ -0.0084194700000000, -0.0007990900000000, 0.0071756400000000 ] - [ 0.0001049900000000, 0.0000030700000000, 0.0000123100000000 ] - [ -0.0069599900000000, 0.0015945700000000, -0.0066184200000000 ] - [ 0.0000967900000000, -0.0000022900000000, -0.0000102800000000 ] - [ 0.0084515600000000, -0.0008803500000000, -0.0072039300000000 ] - [ -0.0001041300000000, 0.0000027500000000, -0.0000113200000000 ] - [ 0.0069742800000000, 0.0015771400000000, 0.0066314800000000 ] - [ -0.0000958800000000, -0.0000023300000000, 0.0000099500000000 ] - [ 0.0000000000000000, -0.0578318900000000, -0.0003535500000000 ] - [ 0.0000000000000000, -0.0000153000000000, 0.0000278300000000 ] - [ 0.0000000000000000, -0.0019301200000000, 0.0000310500000000 ] - [ 0.0000000000000000, -0.0000140600000000, 0.0000273500000000 ] - [ 0.0000020200000000, -0.0007776700000000, -0.0000284800000000 ] - [ -0.0000020200000000, -0.0007776700000000, -0.0000284800000000 ] - [ 0.0000011700000000, -0.0004866700000000, -0.0000274900000000 ] - [ -0.0000011700000000, -0.0004866700000000, -0.0000274900000000 ] - [ -0.0000021900000000, 0.0007590400000000, 0.0000276300000000 ] - [ 0.0000021900000000, 0.0007590400000000, 0.0000276300000000 ] - [ -0.0000004000000000, 0.0004843100000000, 0.0000282300000000 ] - [ 0.0000004000000000, 0.0004843100000000, 0.0000282300000000 ] - [ 0.0000000000000000, 0.0305593900000000, 0.0000185300000000 ] - [ 0.0000000000000000, 0.0000153200000000, -0.0000281600000000 ] - [ 0.0000000000000000, 0.0019561400000000, -0.0000301600000000 ] - [ 0.0000000000000000, 0.0000137400000000, -0.0000285600000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0012876400000000, -0.0037935700000000, 0.0053615900000000 ] - [ -0.0000484100000000, 0.0000742400000000, -0.0000082600000000 ] - [ -0.0002556800000000, -0.0006504600000000, -0.0031715300000000 ] - [ 0.0001168000000000, 0.0001067400000000, -0.0001695900000000 ] - [ 0.0022398400000000, 0.0004461300000000, 0.0016288100000000 ] - [ -0.0002491900000000, -0.0000515800000000, 0.0000275800000000 ] - [ -0.0021812000000000, -0.0005401800000000, -0.0022398900000000 ] - [ 0.0001633700000000, -0.0001224200000000, -0.0002025200000000 ] - [ -0.0025727000000000, 0.0000000400000000, 0.0021200100000000 ] - [ 0.0001584600000000, 0.0001366100000000, 0.0002427200000000 ] - [ 0.0023340900000000, -0.0004335200000000, -0.0023995100000000 ] - [ -0.0002055500000000, 0.0000511000000000, -0.0000656900000000 ] - [ -0.0012191900000000, -0.0017385700000000, 0.0027097500000000 ] - [ 0.0001160700000000, -0.0001081100000000, 0.0001728900000000 ] - [ -0.0009035200000000, 0.0006191200000000, -0.0029594900000000 ] - [ -0.0000494300000000, -0.0000714600000000, 0.0000020900000000 ] - [ 0.0023236600000000, 0.0000000000000000, 0.0000086000000000 ] - [ -0.0001481500000000, 0.0000000000000000, -0.0000547100000000 ] - [ -0.0021790800000000, 0.0000000000000000, -0.0019221100000000 ] - [ -0.0000224100000000, 0.0000000000000000, -0.0001217200000000 ] - [ -0.0023236600000000, 0.0000000000000000, 0.0000086000000000 ] - [ 0.0001481500000000, 0.0000000000000000, -0.0000547100000000 ] - [ 0.0021790800000000, 0.0000000000000000, -0.0019221100000000 ] - [ 0.0000224100000000, 0.0000000000000000, -0.0001217200000000 ] - [ 0.0085807100000000, 0.0000000000000000, 0.0072449700000000 ] - [ 0.0001479500000000, 0.0000000000000000, 0.0001219200000000 ] - [ 0.0006862400000000, 0.0000000000000000, -0.0024162700000000 ] - [ 0.0000182300000000, 0.0000000000000000, 0.0000466700000000 ] - [ -0.0085807100000000, 0.0000000000000000, 0.0072449700000000 ] - [ -0.0001479500000000, 0.0000000000000000, 0.0001219200000000 ] - [ -0.0006862400000000, 0.0000000000000000, -0.0024162700000000 ] - [ -0.0000182300000000, 0.0000000000000000, 0.0000466700000000 ] - [ 0.0022398400000000, -0.0004461300000000, 0.0016288100000000 ] - [ -0.0002491900000000, 0.0000515800000000, 0.0000275800000000 ] - [ -0.0021812000000000, 0.0005401800000000, -0.0022398900000000 ] - [ 0.0001633700000000, 0.0001224200000000, -0.0002025200000000 ] - [ -0.0012876400000000, 0.0037935700000000, 0.0053615900000000 ] - [ -0.0000484100000000, -0.0000742400000000, -0.0000082600000000 ] - [ -0.0002556800000000, 0.0006504600000000, -0.0031715300000000 ] - [ 0.0001168000000000, -0.0001067400000000, -0.0001695900000000 ] - [ -0.0012191900000000, 0.0017385700000000, 0.0027097500000000 ] - [ 0.0001160700000000, 0.0001081100000000, 0.0001728900000000 ] - [ -0.0009035200000000, -0.0006191200000000, -0.0029594900000000 ] - [ -0.0000494300000000, 0.0000714600000000, 0.0000020900000000 ] - [ -0.0025727000000000, -0.0000000400000000, 0.0021200100000000 ] - [ 0.0001584600000000, -0.0001366100000000, 0.0002427200000000 ] - [ 0.0023340900000000, 0.0004335200000000, -0.0023995100000000 ] - [ -0.0002055500000000, -0.0000511000000000, -0.0000656900000000 ] - [ -0.0022398400000000, -0.0004461300000000, 0.0016288100000000 ] - [ 0.0002491900000000, 0.0000515800000000, 0.0000275800000000 ] - [ 0.0021812000000000, 0.0005401800000000, -0.0022398900000000 ] - [ -0.0001633700000000, 0.0001224200000000, -0.0002025200000000 ] - [ 0.0012876400000000, 0.0037935700000000, 0.0053615900000000 ] - [ 0.0000484100000000, -0.0000742400000000, -0.0000082600000000 ] - [ 0.0002556800000000, 0.0006504600000000, -0.0031715300000000 ] - [ -0.0001168000000000, -0.0001067400000000, -0.0001695900000000 ] - [ 0.0012191900000000, 0.0017385700000000, 0.0027097500000000 ] - [ -0.0001160700000000, 0.0001081100000000, 0.0001728900000000 ] - [ 0.0009035200000000, -0.0006191200000000, -0.0029594900000000 ] - [ 0.0000494300000000, 0.0000714600000000, 0.0000020900000000 ] - [ 0.0025727000000000, -0.0000000400000000, 0.0021200100000000 ] - [ -0.0001584600000000, -0.0001366100000000, 0.0002427200000000 ] - [ -0.0023340900000000, 0.0004335200000000, -0.0023995100000000 ] - [ 0.0002055500000000, -0.0000511000000000, -0.0000656900000000 ] - [ -0.0008604800000000, 0.0000000000000000, -0.0003543400000000 ] - [ -0.0000179300000000, 0.0000000000000000, -0.0000549400000000 ] - [ -0.0002411100000000, 0.0000000000000000, -0.0012292300000000 ] - [ -0.0001473900000000, 0.0000000000000000, -0.0001167900000000 ] - [ 0.0008604800000000, 0.0000000000000000, -0.0003543400000000 ] - [ 0.0000179300000000, 0.0000000000000000, -0.0000549400000000 ] - [ 0.0002411100000000, 0.0000000000000000, -0.0012292300000000 ] - [ 0.0001473900000000, 0.0000000000000000, -0.0001167900000000 ] - [ 0.0015874100000000, 0.0000000000000000, 0.0008797200000000 ] - [ 0.0000435900000000, 0.0000000000000000, 0.0001395600000000 ] - [ -0.0010209100000000, 0.0000000000000000, -0.0010417500000000 ] - [ 0.0001187100000000, 0.0000000000000000, 0.0000268400000000 ] - [ -0.0015874100000000, 0.0000000000000000, 0.0008797200000000 ] - [ -0.0000435900000000, 0.0000000000000000, 0.0001395600000000 ] - [ 0.0010209100000000, 0.0000000000000000, -0.0010417500000000 ] - [ -0.0001187100000000, 0.0000000000000000, 0.0000268400000000 ] - [ 0.0012876400000000, -0.0037935700000000, 0.0053615900000000 ] - [ 0.0000484100000000, 0.0000742400000000, -0.0000082600000000 ] - [ 0.0002556800000000, -0.0006504600000000, -0.0031715300000000 ] - [ -0.0001168000000000, 0.0001067400000000, -0.0001695900000000 ] - [ -0.0022398400000000, 0.0004461300000000, 0.0016288100000000 ] - [ 0.0002491900000000, -0.0000515800000000, 0.0000275800000000 ] - [ 0.0021812000000000, -0.0005401800000000, -0.0022398900000000 ] - [ -0.0001633700000000, -0.0001224200000000, -0.0002025200000000 ] - [ 0.0025727000000000, 0.0000000400000000, 0.0021200100000000 ] - [ -0.0001584600000000, 0.0001366100000000, 0.0002427200000000 ] - [ -0.0023340900000000, -0.0004335200000000, -0.0023995100000000 ] - [ 0.0002055500000000, 0.0000511000000000, -0.0000656900000000 ] - [ 0.0012191900000000, -0.0017385700000000, 0.0027097500000000 ] - [ -0.0001160700000000, -0.0001081100000000, 0.0001728900000000 ] - [ 0.0009035200000000, 0.0006191200000000, -0.0029594900000000 ] - [ 0.0000494300000000, -0.0000714600000000, 0.0000020900000000 ] - [ 0.0106335700000000, -0.0066046900000000, 0.0051475500000000 ] - [ -0.0004542600000000, -0.0000104000000000, -0.0000204800000000 ] - [ -0.0110423200000000, 0.0037554100000000, 0.0090198500000000 ] - [ 0.0004531300000000, 0.0000109000000000, 0.0000421300000000 ] - [ 0.0106335700000000, 0.0066046900000000, 0.0051475500000000 ] - [ -0.0004542600000000, 0.0000104000000000, -0.0000204800000000 ] - [ -0.0110423200000000, -0.0037554100000000, 0.0090198500000000 ] - [ 0.0004531300000000, -0.0000109000000000, 0.0000421300000000 ] - [ -0.0106335700000000, 0.0066046900000000, 0.0051475500000000 ] - [ 0.0004542600000000, 0.0000104000000000, -0.0000204800000000 ] - [ 0.0110423200000000, -0.0037554100000000, 0.0090198500000000 ] - [ -0.0004531300000000, -0.0000109000000000, 0.0000421300000000 ] - [ -0.0106335700000000, -0.0066046900000000, 0.0051475500000000 ] - [ 0.0004542600000000, -0.0000104000000000, -0.0000204800000000 ] - [ 0.0110423200000000, 0.0037554100000000, 0.0090198500000000 ] - [ -0.0004531300000000, 0.0000109000000000, 0.0000421300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0656021200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001566400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0103238900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002102300000000 ] - [ -0.0006282500000000, 0.0000000000000000, -0.0027273500000000 ] - [ 0.0006282500000000, 0.0000000000000000, -0.0027273500000000 ] - [ 0.0004817200000000, 0.0000000000000000, 0.0023734600000000 ] - [ -0.0004817200000000, 0.0000000000000000, 0.0023734600000000 ] - [ 0.0003145700000000, 0.0000000000000000, -0.0023981900000000 ] - [ -0.0003145700000000, 0.0000000000000000, -0.0023981900000000 ] - [ -0.0002875600000000, 0.0000000000000000, 0.0022490600000000 ] - [ 0.0002875600000000, 0.0000000000000000, 0.0022490600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0135914500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002105100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0066146700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001530600000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0010963300000000, 0.0037147900000000, -0.0052840200000000 ] - [ 0.0001163900000000, 0.0001062000000000, -0.0001682900000000 ] - [ 0.0003501000000000, 0.0008455900000000, 0.0029877600000000 ] - [ -0.0000471300000000, 0.0000739500000000, -0.0000089100000000 ] - [ -0.0023025100000000, -0.0006245700000000, -0.0017996400000000 ] - [ 0.0001808600000000, -0.0001287200000000, -0.0002042700000000 ] - [ 0.0021121900000000, 0.0003586500000000, 0.0020584800000000 ] - [ -0.0002326200000000, -0.0000584900000000, 0.0000240700000000 ] - [ 0.0025004500000000, 0.0001793900000000, -0.0019446200000000 ] - [ -0.0002258800000000, 0.0000436700000000, -0.0000654000000000 ] - [ -0.0023982800000000, 0.0006158600000000, 0.0025761600000000 ] - [ 0.0001369300000000, 0.0001295100000000, 0.0002431200000000 ] - [ 0.0012369300000000, 0.0015250900000000, -0.0025860600000000 ] - [ -0.0000489100000000, -0.0000718400000000, 0.0000033200000000 ] - [ 0.0009820400000000, -0.0007961900000000, 0.0031409800000000 ] - [ 0.0001165800000000, -0.0001084200000000, 0.0001741200000000 ] - [ -0.0024800000000000, 0.0000000000000000, -0.0001736500000000 ] - [ -0.0000168300000000, 0.0000000000000000, -0.0001149400000000 ] - [ 0.0020108300000000, 0.0000000000000000, 0.0017407900000000 ] - [ -0.0001437400000000, 0.0000000000000000, -0.0000497400000000 ] - [ 0.0024800000000000, 0.0000000000000000, -0.0001736500000000 ] - [ 0.0000168300000000, 0.0000000000000000, -0.0001149400000000 ] - [ -0.0020108300000000, 0.0000000000000000, 0.0017407900000000 ] - [ 0.0001437400000000, 0.0000000000000000, -0.0000497400000000 ] - [ -0.0088216900000000, 0.0000000000000000, -0.0072891400000000 ] - [ 0.0000172500000000, 0.0000000000000000, 0.0000476300000000 ] - [ -0.0005038400000000, 0.0000000000000000, 0.0025819800000000 ] - [ 0.0001472200000000, 0.0000000000000000, 0.0001237200000000 ] - [ 0.0088216900000000, 0.0000000000000000, -0.0072891400000000 ] - [ -0.0000172500000000, 0.0000000000000000, 0.0000476300000000 ] - [ 0.0005038400000000, 0.0000000000000000, 0.0025819800000000 ] - [ -0.0001472200000000, 0.0000000000000000, 0.0001237200000000 ] - [ -0.0023025100000000, 0.0006245700000000, -0.0017996400000000 ] - [ 0.0001808600000000, 0.0001287200000000, -0.0002042700000000 ] - [ 0.0021121900000000, -0.0003586500000000, 0.0020584800000000 ] - [ -0.0002326200000000, 0.0000584900000000, 0.0000240700000000 ] - [ 0.0010963300000000, -0.0037147900000000, -0.0052840200000000 ] - [ 0.0001163900000000, -0.0001062000000000, -0.0001682900000000 ] - [ 0.0003501000000000, -0.0008455900000000, 0.0029877600000000 ] - [ -0.0000471300000000, -0.0000739500000000, -0.0000089100000000 ] - [ 0.0012369300000000, -0.0015250900000000, -0.0025860600000000 ] - [ -0.0000489100000000, 0.0000718400000000, 0.0000033200000000 ] - [ 0.0009820400000000, 0.0007961900000000, 0.0031409800000000 ] - [ 0.0001165800000000, 0.0001084200000000, 0.0001741200000000 ] - [ 0.0025004500000000, -0.0001793900000000, -0.0019446200000000 ] - [ -0.0002258800000000, -0.0000436700000000, -0.0000654000000000 ] - [ -0.0023982800000000, -0.0006158600000000, 0.0025761600000000 ] - [ 0.0001369300000000, -0.0001295100000000, 0.0002431200000000 ] - [ 0.0023025100000000, 0.0006245700000000, -0.0017996400000000 ] - [ -0.0001808600000000, 0.0001287200000000, -0.0002042700000000 ] - [ -0.0021121900000000, -0.0003586500000000, 0.0020584800000000 ] - [ 0.0002326200000000, 0.0000584900000000, 0.0000240700000000 ] - [ -0.0010963300000000, -0.0037147900000000, -0.0052840200000000 ] - [ -0.0001163900000000, -0.0001062000000000, -0.0001682900000000 ] - [ -0.0003501000000000, -0.0008455900000000, 0.0029877600000000 ] - [ 0.0000471300000000, -0.0000739500000000, -0.0000089100000000 ] - [ -0.0012369300000000, -0.0015250900000000, -0.0025860600000000 ] - [ 0.0000489100000000, 0.0000718400000000, 0.0000033200000000 ] - [ -0.0009820400000000, 0.0007961900000000, 0.0031409800000000 ] - [ -0.0001165800000000, 0.0001084200000000, 0.0001741200000000 ] - [ -0.0025004500000000, -0.0001793900000000, -0.0019446200000000 ] - [ 0.0002258800000000, -0.0000436700000000, -0.0000654000000000 ] - [ 0.0023982800000000, -0.0006158600000000, 0.0025761600000000 ] - [ -0.0001369300000000, -0.0001295100000000, 0.0002431200000000 ] - [ 0.0006981200000000, 0.0000000000000000, 0.0001911100000000 ] - [ -0.0001478900000000, 0.0000000000000000, -0.0001150500000000 ] - [ 0.0000716400000000, 0.0000000000000000, 0.0010469200000000 ] - [ -0.0000190200000000, 0.0000000000000000, -0.0000541000000000 ] - [ -0.0006981200000000, 0.0000000000000000, 0.0001911100000000 ] - [ 0.0001478900000000, 0.0000000000000000, -0.0001150500000000 ] - [ -0.0000716400000000, 0.0000000000000000, 0.0010469200000000 ] - [ 0.0000190200000000, 0.0000000000000000, -0.0000541000000000 ] - [ -0.0014165400000000, 0.0000000000000000, -0.0007128300000000 ] - [ 0.0001204700000000, 0.0000000000000000, 0.0000298100000000 ] - [ 0.0011846400000000, 0.0000000000000000, 0.0012132000000000 ] - [ 0.0000475600000000, 0.0000000000000000, 0.0001452100000000 ] - [ 0.0014165400000000, 0.0000000000000000, -0.0007128300000000 ] - [ -0.0001204700000000, 0.0000000000000000, 0.0000298100000000 ] - [ -0.0011846400000000, 0.0000000000000000, 0.0012132000000000 ] - [ -0.0000475600000000, 0.0000000000000000, 0.0001452100000000 ] - [ -0.0010963300000000, 0.0037147900000000, -0.0052840200000000 ] - [ -0.0001163900000000, 0.0001062000000000, -0.0001682900000000 ] - [ -0.0003501000000000, 0.0008455900000000, 0.0029877600000000 ] - [ 0.0000471300000000, 0.0000739500000000, -0.0000089100000000 ] - [ 0.0023025100000000, -0.0006245700000000, -0.0017996400000000 ] - [ -0.0001808600000000, -0.0001287200000000, -0.0002042700000000 ] - [ -0.0021121900000000, 0.0003586500000000, 0.0020584800000000 ] - [ 0.0002326200000000, -0.0000584900000000, 0.0000240700000000 ] - [ -0.0025004500000000, 0.0001793900000000, -0.0019446200000000 ] - [ 0.0002258800000000, 0.0000436700000000, -0.0000654000000000 ] - [ 0.0023982800000000, 0.0006158600000000, 0.0025761600000000 ] - [ -0.0001369300000000, 0.0001295100000000, 0.0002431200000000 ] - [ -0.0012369300000000, 0.0015250900000000, -0.0025860600000000 ] - [ 0.0000489100000000, -0.0000718400000000, 0.0000033200000000 ] - [ -0.0009820400000000, -0.0007961900000000, 0.0031409800000000 ] - [ -0.0001165800000000, -0.0001084200000000, 0.0001741200000000 ] - [ -0.0106507100000000, 0.0066290600000000, -0.0050897300000000 ] - [ 0.0004525700000000, 0.0000104000000000, 0.0000224800000000 ] - [ 0.0109974600000000, -0.0037236100000000, -0.0090231500000000 ] - [ -0.0004540000000000, -0.0000105000000000, -0.0000434300000000 ] - [ -0.0106507100000000, -0.0066290600000000, -0.0050897300000000 ] - [ 0.0004525700000000, -0.0000104000000000, 0.0000224800000000 ] - [ 0.0109974600000000, 0.0037236100000000, -0.0090231500000000 ] - [ -0.0004540000000000, 0.0000105000000000, -0.0000434300000000 ] - [ 0.0106507100000000, -0.0066290600000000, -0.0050897300000000 ] - [ -0.0004525700000000, -0.0000104000000000, 0.0000224800000000 ] - [ -0.0109974600000000, 0.0037236100000000, -0.0090231500000000 ] - [ 0.0004540000000000, 0.0000105000000000, -0.0000434300000000 ] - [ 0.0106507100000000, 0.0066290600000000, -0.0050897300000000 ] - [ -0.0004525700000000, 0.0000104000000000, 0.0000224800000000 ] - [ -0.0109974600000000, -0.0037236100000000, -0.0090231500000000 ] - [ 0.0004540000000000, -0.0000105000000000, -0.0000434300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0651873600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002113100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0102607700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001564300000000 ] - [ 0.0006314800000000, 0.0000000000000000, 0.0026677100000000 ] - [ -0.0006314800000000, 0.0000000000000000, 0.0026677100000000 ] - [ -0.0004837800000000, 0.0000000000000000, -0.0024253200000000 ] - [ 0.0004837800000000, 0.0000000000000000, -0.0024253200000000 ] - [ -0.0003110300000000, 0.0000000000000000, 0.0024492100000000 ] - [ 0.0003110300000000, 0.0000000000000000, 0.0024492100000000 ] - [ 0.0002856200000000, 0.0000000000000000, -0.0021906000000000 ] - [ -0.0002856200000000, 0.0000000000000000, -0.0021906000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0134576700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001549000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0066603200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002094000000000 ]