# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/f2a70f25-aa5d-47fa-8d32-074edd88c166/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 Tb3KF10 / Fm-3m (225) / materials id 17838](https://mdr.nims.go.jp/datasets/f164daac-52af-470c-946d-0339114cae3b) ## 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: "Fm-3m" number: 225 Hall_symbol: "-F 4 2 3"primitive_matrix:- [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 0.000000000000000, 5.774647325000000, 5.774647325000000 ] # a - [ 5.774647325000000, 0.000000000000000, 5.774647325000000 ] # b - [ 5.774647325000000, 5.774647325000000, 0.000000000000000 ] # c points: - symbol: F # 1 coordinates: [ 0.664639690000000, 0.111786770000000, 0.111786770000000 ] mass: 18.998403 - symbol: F # 2 coordinates: [ 0.888213230000000, 0.888213230000000, 0.335360310000000 ] mass: 18.998403 - symbol: F # 3 coordinates: [ 0.888213230000000, 0.335360310000000, 0.888213230000000 ] mass: 18.998403 - symbol: F # 4 coordinates: [ 0.888213230000000, 0.888213230000000, 0.888213230000000 ] mass: 18.998403 - symbol: F # 5 coordinates: [ 0.111786770000000, 0.664639690000000, 0.111786770000000 ] mass: 18.998403 - symbol: F # 6 coordinates: [ 0.111786770000000, 0.111786770000000, 0.111786770000000 ] mass: 18.998403 - symbol: F # 7 coordinates: [ 0.111786770000000, 0.111786770000000, 0.664639690000000 ] mass: 18.998403 - symbol: F # 8 coordinates: [ 0.335360310000000, 0.888213230000000, 0.888213230000000 ] mass: 18.998403 - symbol: F # 9 coordinates: [ 0.168471660000000, 0.500000000000000, 0.500000000000000 ] mass: 18.998403 - symbol: F # 10 coordinates: [ 0.168471660000000, 0.500000000000000, 0.831528340000000 ] mass: 18.998403 - symbol: F # 11 coordinates: [ 0.500000000000000, 0.168471660000000, 0.500000000000000 ] mass: 18.998403 - symbol: F # 12 coordinates: [ 0.500000000000000, 0.831528340000000, 0.168471660000000 ] mass: 18.998403 - symbol: F # 13 coordinates: [ 0.500000000000000, 0.168471660000000, 0.831528340000000 ] mass: 18.998403 - symbol: F # 14 coordinates: [ 0.168471660000000, 0.831528340000000, 0.500000000000000 ] mass: 18.998403 - symbol: F # 15 coordinates: [ 0.500000000000000, 0.500000000000000, 0.168471660000000 ] mass: 18.998403 - symbol: F # 16 coordinates: [ 0.500000000000000, 0.831528340000000, 0.500000000000000 ] mass: 18.998403 - symbol: F # 17 coordinates: [ 0.831528340000000, 0.168471660000000, 0.500000000000000 ] mass: 18.998403 - symbol: F # 18 coordinates: [ 0.500000000000000, 0.500000000000000, 0.831528340000000 ] mass: 18.998403 - symbol: F # 19 coordinates: [ 0.831528340000000, 0.500000000000000, 0.168471660000000 ] mass: 18.998403 - symbol: F # 20 coordinates: [ 0.831528340000000, 0.500000000000000, 0.500000000000000 ] mass: 18.998403 - symbol: K # 21 coordinates: [ 0.750000000000000, 0.750000000000000, 0.750000000000000 ] mass: 39.098300 - symbol: K # 22 coordinates: [ 0.250000000000000, 0.250000000000000, 0.250000000000000 ] mass: 39.098300 - symbol: Tb # 23 coordinates: [ 0.760219860000000, 0.760219860000000, 0.239780140000000 ] mass: 158.925350 - symbol: Tb # 24 coordinates: [ 0.239780140000000, 0.760219860000000, 0.239780140000000 ] mass: 158.925350 - symbol: Tb # 25 coordinates: [ 0.760219860000000, 0.239780140000000, 0.760219860000000 ] mass: 158.925350 - symbol: Tb # 26 coordinates: [ 0.239780140000000, 0.760219860000000, 0.760219860000000 ] mass: 158.925350 - symbol: Tb # 27 coordinates: [ 0.239780140000000, 0.239780140000000, 0.760219860000000 ] mass: 158.925350 - symbol: Tb # 28 coordinates: [ 0.760219860000000, 0.239780140000000, 0.239780140000000 ] mass: 158.925350 reciprocal_lattice: # without 2pi - [ -0.086585374285173, 0.086585374285173, 0.086585374285173 ] # a* - [ 0.086585374285173, -0.086585374285173, 0.086585374285173 ] # b* - [ 0.086585374285173, 0.086585374285173, -0.086585374285173 ] # c*unit_cell: lattice: - [ 11.549294650000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 11.549294650000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.549294650000000 ] # c points: - symbol: F # 1 coordinates: [ 0.611786770000000, 0.388213230000000, 0.888213230000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 2 coordinates: [ 0.111786770000000, 0.111786770000000, 0.888213230000000 ] mass: 18.998403 reduced_to: 2 - symbol: F # 3 coordinates: [ 0.111786770000000, 0.388213230000000, 0.611786770000000 ] mass: 18.998403 reduced_to: 3 - symbol: F # 4 coordinates: [ 0.388213230000000, 0.388213230000000, 0.888213230000000 ] mass: 18.998403 reduced_to: 4 - symbol: F # 5 coordinates: [ 0.888213230000000, 0.111786770000000, 0.888213230000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 6 coordinates: [ 0.611786770000000, 0.111786770000000, 0.611786770000000 ] mass: 18.998403 reduced_to: 6 - symbol: F # 7 coordinates: [ 0.888213230000000, 0.388213230000000, 0.611786770000000 ] mass: 18.998403 reduced_to: 7 - symbol: F # 8 coordinates: [ 0.388213230000000, 0.111786770000000, 0.611786770000000 ] mass: 18.998403 reduced_to: 8 - symbol: F # 9 coordinates: [ 0.500000000000000, 0.334235830000000, 0.334235830000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 10 coordinates: [ 0.665764170000000, 0.000000000000000, 0.834235830000000 ] mass: 18.998403 reduced_to: 10 - symbol: F # 11 coordinates: [ 0.334235830000000, 0.000000000000000, 0.834235830000000 ] mass: 18.998403 reduced_to: 11 - symbol: F # 12 coordinates: [ 0.500000000000000, 0.334235830000000, 0.665764170000000 ] mass: 18.998403 reduced_to: 12 - symbol: F # 13 coordinates: [ 0.500000000000000, 0.165764170000000, 0.834235830000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 14 coordinates: [ 0.665764170000000, 0.334235830000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 14 - symbol: F # 15 coordinates: [ 0.334235830000000, 0.334235830000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 15 - symbol: F # 16 coordinates: [ 0.665764170000000, 0.000000000000000, 0.165764170000000 ] mass: 18.998403 reduced_to: 16 - symbol: F # 17 coordinates: [ 0.334235830000000, 0.165764170000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 18 coordinates: [ 0.665764170000000, 0.165764170000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 18 - symbol: F # 19 coordinates: [ 0.334235830000000, 0.000000000000000, 0.165764170000000 ] mass: 18.998403 reduced_to: 19 - symbol: F # 20 coordinates: [ 0.500000000000000, 0.165764170000000, 0.165764170000000 ] mass: 18.998403 reduced_to: 20 - symbol: F # 21 coordinates: [ 0.611786770000000, 0.888213230000000, 0.388213230000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 22 coordinates: [ 0.111786770000000, 0.611786770000000, 0.388213230000000 ] mass: 18.998403 reduced_to: 2 - symbol: F # 23 coordinates: [ 0.111786770000000, 0.888213230000000, 0.111786770000000 ] mass: 18.998403 reduced_to: 3 - symbol: F # 24 coordinates: [ 0.388213230000000, 0.888213230000000, 0.388213230000000 ] mass: 18.998403 reduced_to: 4 - symbol: F # 25 coordinates: [ 0.888213230000000, 0.611786770000000, 0.388213230000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 26 coordinates: [ 0.611786770000000, 0.611786770000000, 0.111786770000000 ] mass: 18.998403 reduced_to: 6 - symbol: F # 27 coordinates: [ 0.888213230000000, 0.888213230000000, 0.111786770000000 ] mass: 18.998403 reduced_to: 7 - symbol: F # 28 coordinates: [ 0.388213230000000, 0.611786770000000, 0.111786770000000 ] mass: 18.998403 reduced_to: 8 - symbol: F # 29 coordinates: [ 0.500000000000000, 0.834235830000000, 0.834235830000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 30 coordinates: [ 0.665764170000000, 0.500000000000000, 0.334235830000000 ] mass: 18.998403 reduced_to: 10 - symbol: F # 31 coordinates: [ 0.334235830000000, 0.500000000000000, 0.334235830000000 ] mass: 18.998403 reduced_to: 11 - symbol: F # 32 coordinates: [ 0.500000000000000, 0.834235830000000, 0.165764170000000 ] mass: 18.998403 reduced_to: 12 - symbol: F # 33 coordinates: [ 0.500000000000000, 0.665764170000000, 0.334235830000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 34 coordinates: [ 0.665764170000000, 0.834235830000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 14 - symbol: F # 35 coordinates: [ 0.334235830000000, 0.834235830000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 15 - symbol: F # 36 coordinates: [ 0.665764170000000, 0.500000000000000, 0.665764170000000 ] mass: 18.998403 reduced_to: 16 - symbol: F # 37 coordinates: [ 0.334235830000000, 0.665764170000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 38 coordinates: [ 0.665764170000000, 0.665764170000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 18 - symbol: F # 39 coordinates: [ 0.334235830000000, 0.500000000000000, 0.665764170000000 ] mass: 18.998403 reduced_to: 19 - symbol: F # 40 coordinates: [ 0.500000000000000, 0.665764170000000, 0.665764170000000 ] mass: 18.998403 reduced_to: 20 - symbol: F # 41 coordinates: [ 0.111786770000000, 0.388213230000000, 0.388213230000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 42 coordinates: [ 0.611786770000000, 0.111786770000000, 0.388213230000000 ] mass: 18.998403 reduced_to: 2 - symbol: F # 43 coordinates: [ 0.611786770000000, 0.388213230000000, 0.111786770000000 ] mass: 18.998403 reduced_to: 3 - symbol: F # 44 coordinates: [ 0.888213230000000, 0.388213230000000, 0.388213230000000 ] mass: 18.998403 reduced_to: 4 - symbol: F # 45 coordinates: [ 0.388213230000000, 0.111786770000000, 0.388213230000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 46 coordinates: [ 0.111786770000000, 0.111786770000000, 0.111786770000000 ] mass: 18.998403 reduced_to: 6 - symbol: F # 47 coordinates: [ 0.388213230000000, 0.388213230000000, 0.111786770000000 ] mass: 18.998403 reduced_to: 7 - symbol: F # 48 coordinates: [ 0.888213230000000, 0.111786770000000, 0.111786770000000 ] mass: 18.998403 reduced_to: 8 - symbol: F # 49 coordinates: [ 0.000000000000000, 0.334235830000000, 0.834235830000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 50 coordinates: [ 0.165764170000000, 0.000000000000000, 0.334235830000000 ] mass: 18.998403 reduced_to: 10 - symbol: F # 51 coordinates: [ 0.834235830000000, 0.000000000000000, 0.334235830000000 ] mass: 18.998403 reduced_to: 11 - symbol: F # 52 coordinates: [ 0.000000000000000, 0.334235830000000, 0.165764170000000 ] mass: 18.998403 reduced_to: 12 - symbol: F # 53 coordinates: [ 0.000000000000000, 0.165764170000000, 0.334235830000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 54 coordinates: [ 0.165764170000000, 0.334235830000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 14 - symbol: F # 55 coordinates: [ 0.834235830000000, 0.334235830000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 15 - symbol: F # 56 coordinates: [ 0.165764170000000, 0.000000000000000, 0.665764170000000 ] mass: 18.998403 reduced_to: 16 - symbol: F # 57 coordinates: [ 0.834235830000000, 0.165764170000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 58 coordinates: [ 0.165764170000000, 0.165764170000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 18 - symbol: F # 59 coordinates: [ 0.834235830000000, 0.000000000000000, 0.665764170000000 ] mass: 18.998403 reduced_to: 19 - symbol: F # 60 coordinates: [ 0.000000000000000, 0.165764170000000, 0.665764170000000 ] mass: 18.998403 reduced_to: 20 - symbol: F # 61 coordinates: [ 0.111786770000000, 0.888213230000000, 0.888213230000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 62 coordinates: [ 0.611786770000000, 0.611786770000000, 0.888213230000000 ] mass: 18.998403 reduced_to: 2 - symbol: F # 63 coordinates: [ 0.611786770000000, 0.888213230000000, 0.611786770000000 ] mass: 18.998403 reduced_to: 3 - symbol: F # 64 coordinates: [ 0.888213230000000, 0.888213230000000, 0.888213230000000 ] mass: 18.998403 reduced_to: 4 - symbol: F # 65 coordinates: [ 0.388213230000000, 0.611786770000000, 0.888213230000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 66 coordinates: [ 0.111786770000000, 0.611786770000000, 0.611786770000000 ] mass: 18.998403 reduced_to: 6 - symbol: F # 67 coordinates: [ 0.388213230000000, 0.888213230000000, 0.611786770000000 ] mass: 18.998403 reduced_to: 7 - symbol: F # 68 coordinates: [ 0.888213230000000, 0.611786770000000, 0.611786770000000 ] mass: 18.998403 reduced_to: 8 - symbol: F # 69 coordinates: [ 0.000000000000000, 0.834235830000000, 0.334235830000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 70 coordinates: [ 0.165764170000000, 0.500000000000000, 0.834235830000000 ] mass: 18.998403 reduced_to: 10 - symbol: F # 71 coordinates: [ 0.834235830000000, 0.500000000000000, 0.834235830000000 ] mass: 18.998403 reduced_to: 11 - symbol: F # 72 coordinates: [ 0.000000000000000, 0.834235830000000, 0.665764170000000 ] mass: 18.998403 reduced_to: 12 - symbol: F # 73 coordinates: [ 0.000000000000000, 0.665764170000000, 0.834235830000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 74 coordinates: [ 0.165764170000000, 0.834235830000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 14 - symbol: F # 75 coordinates: [ 0.834235830000000, 0.834235830000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 15 - symbol: F # 76 coordinates: [ 0.165764170000000, 0.500000000000000, 0.165764170000000 ] mass: 18.998403 reduced_to: 16 - symbol: F # 77 coordinates: [ 0.834235830000000, 0.665764170000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 78 coordinates: [ 0.165764170000000, 0.665764170000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 18 - symbol: F # 79 coordinates: [ 0.834235830000000, 0.500000000000000, 0.165764170000000 ] mass: 18.998403 reduced_to: 19 - symbol: F # 80 coordinates: [ 0.000000000000000, 0.665764170000000, 0.165764170000000 ] mass: 18.998403 reduced_to: 20 - symbol: K # 81 coordinates: [ 0.250000000000000, 0.250000000000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 81 - symbol: K # 82 coordinates: [ 0.750000000000000, 0.250000000000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 82 - symbol: K # 83 coordinates: [ 0.250000000000000, 0.750000000000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 81 - symbol: K # 84 coordinates: [ 0.750000000000000, 0.750000000000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 82 - symbol: K # 85 coordinates: [ 0.750000000000000, 0.250000000000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 81 - symbol: K # 86 coordinates: [ 0.250000000000000, 0.250000000000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 82 - symbol: K # 87 coordinates: [ 0.750000000000000, 0.750000000000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 81 - symbol: K # 88 coordinates: [ 0.250000000000000, 0.750000000000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 82 - symbol: Tb # 89 coordinates: [ 0.500000000000000, 0.000000000000000, 0.260219860000000 ] mass: 158.925350 reduced_to: 89 - symbol: Tb # 90 coordinates: [ 0.500000000000000, 0.239780140000000, 0.500000000000000 ] mass: 158.925350 reduced_to: 90 - symbol: Tb # 91 coordinates: [ 0.500000000000000, 0.260219860000000, 0.000000000000000 ] mass: 158.925350 reduced_to: 91 - symbol: Tb # 92 coordinates: [ 0.760219860000000, 0.000000000000000, 0.000000000000000 ] mass: 158.925350 reduced_to: 92 - symbol: Tb # 93 coordinates: [ 0.500000000000000, 0.000000000000000, 0.739780140000000 ] mass: 158.925350 reduced_to: 93 - symbol: Tb # 94 coordinates: [ 0.239780140000000, 0.000000000000000, 0.000000000000000 ] mass: 158.925350 reduced_to: 94 - symbol: Tb # 95 coordinates: [ 0.500000000000000, 0.500000000000000, 0.760219860000000 ] mass: 158.925350 reduced_to: 89 - symbol: Tb # 96 coordinates: [ 0.500000000000000, 0.739780140000000, 0.000000000000000 ] mass: 158.925350 reduced_to: 90 - symbol: Tb # 97 coordinates: [ 0.500000000000000, 0.760219860000000, 0.500000000000000 ] mass: 158.925350 reduced_to: 91 - symbol: Tb # 98 coordinates: [ 0.760219860000000, 0.500000000000000, 0.500000000000000 ] mass: 158.925350 reduced_to: 92 - symbol: Tb # 99 coordinates: [ 0.500000000000000, 0.500000000000000, 0.239780140000000 ] mass: 158.925350 reduced_to: 93 - symbol: Tb # 100 coordinates: [ 0.239780140000000, 0.500000000000000, 0.500000000000000 ] mass: 158.925350 reduced_to: 94 - symbol: Tb # 101 coordinates: [ 0.000000000000000, 0.000000000000000, 0.760219860000000 ] mass: 158.925350 reduced_to: 89 - symbol: Tb # 102 coordinates: [ 0.000000000000000, 0.239780140000000, 0.000000000000000 ] mass: 158.925350 reduced_to: 90 - symbol: Tb # 103 coordinates: [ 0.000000000000000, 0.260219860000000, 0.500000000000000 ] mass: 158.925350 reduced_to: 91 - symbol: Tb # 104 coordinates: [ 0.260219860000000, 0.000000000000000, 0.500000000000000 ] mass: 158.925350 reduced_to: 92 - symbol: Tb # 105 coordinates: [ 0.000000000000000, 0.000000000000000, 0.239780140000000 ] mass: 158.925350 reduced_to: 93 - symbol: Tb # 106 coordinates: [ 0.739780140000000, 0.000000000000000, 0.500000000000000 ] mass: 158.925350 reduced_to: 94 - symbol: Tb # 107 coordinates: [ 0.000000000000000, 0.500000000000000, 0.260219860000000 ] mass: 158.925350 reduced_to: 89 - symbol: Tb # 108 coordinates: [ 0.000000000000000, 0.739780140000000, 0.500000000000000 ] mass: 158.925350 reduced_to: 90 - symbol: Tb # 109 coordinates: [ 0.000000000000000, 0.760219860000000, 0.000000000000000 ] mass: 158.925350 reduced_to: 91 - symbol: Tb # 110 coordinates: [ 0.260219860000000, 0.500000000000000, 0.000000000000000 ] mass: 158.925350 reduced_to: 92 - symbol: Tb # 111 coordinates: [ 0.000000000000000, 0.500000000000000, 0.739780140000000 ] mass: 158.925350 reduced_to: 93 - symbol: Tb # 112 coordinates: [ 0.739780140000000, 0.500000000000000, 0.000000000000000 ] mass: 158.925350 reduced_to: 94supercell: lattice: - [ 11.549294650000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 11.549294650000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.549294650000000 ] # c points: - symbol: F # 1 coordinates: [ 0.611786770000000, 0.388213230000000, 0.888213230000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 2 coordinates: [ 0.111786770000000, 0.111786770000000, 0.888213230000000 ] mass: 18.998403 reduced_to: 2 - symbol: F # 3 coordinates: [ 0.111786770000000, 0.388213230000000, 0.611786770000000 ] mass: 18.998403 reduced_to: 3 - symbol: F # 4 coordinates: [ 0.388213230000000, 0.388213230000000, 0.888213230000000 ] mass: 18.998403 reduced_to: 4 - symbol: F # 5 coordinates: [ 0.888213230000000, 0.111786770000000, 0.888213230000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 6 coordinates: [ 0.611786770000000, 0.111786770000000, 0.611786770000000 ] mass: 18.998403 reduced_to: 6 - symbol: F # 7 coordinates: [ 0.888213230000000, 0.388213230000000, 0.611786770000000 ] mass: 18.998403 reduced_to: 7 - symbol: F # 8 coordinates: [ 0.388213230000000, 0.111786770000000, 0.611786770000000 ] mass: 18.998403 reduced_to: 8 - symbol: F # 9 coordinates: [ 0.500000000000000, 0.334235830000000, 0.334235830000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 10 coordinates: [ 0.665764170000000, 0.000000000000000, 0.834235830000000 ] mass: 18.998403 reduced_to: 10 - symbol: F # 11 coordinates: [ 0.334235830000000, 0.000000000000000, 0.834235830000000 ] mass: 18.998403 reduced_to: 11 - symbol: F # 12 coordinates: [ 0.500000000000000, 0.334235830000000, 0.665764170000000 ] mass: 18.998403 reduced_to: 12 - symbol: F # 13 coordinates: [ 0.500000000000000, 0.165764170000000, 0.834235830000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 14 coordinates: [ 0.665764170000000, 0.334235830000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 14 - symbol: F # 15 coordinates: [ 0.334235830000000, 0.334235830000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 15 - symbol: F # 16 coordinates: [ 0.665764170000000, 0.000000000000000, 0.165764170000000 ] mass: 18.998403 reduced_to: 16 - symbol: F # 17 coordinates: [ 0.334235830000000, 0.165764170000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 18 coordinates: [ 0.665764170000000, 0.165764170000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 18 - symbol: F # 19 coordinates: [ 0.334235830000000, 0.000000000000000, 0.165764170000000 ] mass: 18.998403 reduced_to: 19 - symbol: F # 20 coordinates: [ 0.500000000000000, 0.165764170000000, 0.165764170000000 ] mass: 18.998403 reduced_to: 20 - symbol: F # 21 coordinates: [ 0.611786770000000, 0.888213230000000, 0.388213230000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 22 coordinates: [ 0.111786770000000, 0.611786770000000, 0.388213230000000 ] mass: 18.998403 reduced_to: 2 - symbol: F # 23 coordinates: [ 0.111786770000000, 0.888213230000000, 0.111786770000000 ] mass: 18.998403 reduced_to: 3 - symbol: F # 24 coordinates: [ 0.388213230000000, 0.888213230000000, 0.388213230000000 ] mass: 18.998403 reduced_to: 4 - symbol: F # 25 coordinates: [ 0.888213230000000, 0.611786770000000, 0.388213230000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 26 coordinates: [ 0.611786770000000, 0.611786770000000, 0.111786770000000 ] mass: 18.998403 reduced_to: 6 - symbol: F # 27 coordinates: [ 0.888213230000000, 0.888213230000000, 0.111786770000000 ] mass: 18.998403 reduced_to: 7 - symbol: F # 28 coordinates: [ 0.388213230000000, 0.611786770000000, 0.111786770000000 ] mass: 18.998403 reduced_to: 8 - symbol: F # 29 coordinates: [ 0.500000000000000, 0.834235830000000, 0.834235830000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 30 coordinates: [ 0.665764170000000, 0.500000000000000, 0.334235830000000 ] mass: 18.998403 reduced_to: 10 - symbol: F # 31 coordinates: [ 0.334235830000000, 0.500000000000000, 0.334235830000000 ] mass: 18.998403 reduced_to: 11 - symbol: F # 32 coordinates: [ 0.500000000000000, 0.834235830000000, 0.165764170000000 ] mass: 18.998403 reduced_to: 12 - symbol: F # 33 coordinates: [ 0.500000000000000, 0.665764170000000, 0.334235830000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 34 coordinates: [ 0.665764170000000, 0.834235830000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 14 - symbol: F # 35 coordinates: [ 0.334235830000000, 0.834235830000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 15 - symbol: F # 36 coordinates: [ 0.665764170000000, 0.500000000000000, 0.665764170000000 ] mass: 18.998403 reduced_to: 16 - symbol: F # 37 coordinates: [ 0.334235830000000, 0.665764170000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 38 coordinates: [ 0.665764170000000, 0.665764170000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 18 - symbol: F # 39 coordinates: [ 0.334235830000000, 0.500000000000000, 0.665764170000000 ] mass: 18.998403 reduced_to: 19 - symbol: F # 40 coordinates: [ 0.500000000000000, 0.665764170000000, 0.665764170000000 ] mass: 18.998403 reduced_to: 20 - symbol: F # 41 coordinates: [ 0.111786770000000, 0.388213230000000, 0.388213230000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 42 coordinates: [ 0.611786770000000, 0.111786770000000, 0.388213230000000 ] mass: 18.998403 reduced_to: 2 - symbol: F # 43 coordinates: [ 0.611786770000000, 0.388213230000000, 0.111786770000000 ] mass: 18.998403 reduced_to: 3 - symbol: F # 44 coordinates: [ 0.888213230000000, 0.388213230000000, 0.388213230000000 ] mass: 18.998403 reduced_to: 4 - symbol: F # 45 coordinates: [ 0.388213230000000, 0.111786770000000, 0.388213230000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 46 coordinates: [ 0.111786770000000, 0.111786770000000, 0.111786770000000 ] mass: 18.998403 reduced_to: 6 - symbol: F # 47 coordinates: [ 0.388213230000000, 0.388213230000000, 0.111786770000000 ] mass: 18.998403 reduced_to: 7 - symbol: F # 48 coordinates: [ 0.888213230000000, 0.111786770000000, 0.111786770000000 ] mass: 18.998403 reduced_to: 8 - symbol: F # 49 coordinates: [ 0.000000000000000, 0.334235830000000, 0.834235830000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 50 coordinates: [ 0.165764170000000, 0.000000000000000, 0.334235830000000 ] mass: 18.998403 reduced_to: 10 - symbol: F # 51 coordinates: [ 0.834235830000000, 0.000000000000000, 0.334235830000000 ] mass: 18.998403 reduced_to: 11 - symbol: F # 52 coordinates: [ 0.000000000000000, 0.334235830000000, 0.165764170000000 ] mass: 18.998403 reduced_to: 12 - symbol: F # 53 coordinates: [ 0.000000000000000, 0.165764170000000, 0.334235830000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 54 coordinates: [ 0.165764170000000, 0.334235830000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 14 - symbol: F # 55 coordinates: [ 0.834235830000000, 0.334235830000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 15 - symbol: F # 56 coordinates: [ 0.165764170000000, 0.000000000000000, 0.665764170000000 ] mass: 18.998403 reduced_to: 16 - symbol: F # 57 coordinates: [ 0.834235830000000, 0.165764170000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 58 coordinates: [ 0.165764170000000, 0.165764170000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 18 - symbol: F # 59 coordinates: [ 0.834235830000000, 0.000000000000000, 0.665764170000000 ] mass: 18.998403 reduced_to: 19 - symbol: F # 60 coordinates: [ 0.000000000000000, 0.165764170000000, 0.665764170000000 ] mass: 18.998403 reduced_to: 20 - symbol: F # 61 coordinates: [ 0.111786770000000, 0.888213230000000, 0.888213230000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 62 coordinates: [ 0.611786770000000, 0.611786770000000, 0.888213230000000 ] mass: 18.998403 reduced_to: 2 - symbol: F # 63 coordinates: [ 0.611786770000000, 0.888213230000000, 0.611786770000000 ] mass: 18.998403 reduced_to: 3 - symbol: F # 64 coordinates: [ 0.888213230000000, 0.888213230000000, 0.888213230000000 ] mass: 18.998403 reduced_to: 4 - symbol: F # 65 coordinates: [ 0.388213230000000, 0.611786770000000, 0.888213230000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 66 coordinates: [ 0.111786770000000, 0.611786770000000, 0.611786770000000 ] mass: 18.998403 reduced_to: 6 - symbol: F # 67 coordinates: [ 0.388213230000000, 0.888213230000000, 0.611786770000000 ] mass: 18.998403 reduced_to: 7 - symbol: F # 68 coordinates: [ 0.888213230000000, 0.611786770000000, 0.611786770000000 ] mass: 18.998403 reduced_to: 8 - symbol: F # 69 coordinates: [ 0.000000000000000, 0.834235830000000, 0.334235830000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 70 coordinates: [ 0.165764170000000, 0.500000000000000, 0.834235830000000 ] mass: 18.998403 reduced_to: 10 - symbol: F # 71 coordinates: [ 0.834235830000000, 0.500000000000000, 0.834235830000000 ] mass: 18.998403 reduced_to: 11 - symbol: F # 72 coordinates: [ 0.000000000000000, 0.834235830000000, 0.665764170000000 ] mass: 18.998403 reduced_to: 12 - symbol: F # 73 coordinates: [ 0.000000000000000, 0.665764170000000, 0.834235830000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 74 coordinates: [ 0.165764170000000, 0.834235830000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 14 - symbol: F # 75 coordinates: [ 0.834235830000000, 0.834235830000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 15 - symbol: F # 76 coordinates: [ 0.165764170000000, 0.500000000000000, 0.165764170000000 ] mass: 18.998403 reduced_to: 16 - symbol: F # 77 coordinates: [ 0.834235830000000, 0.665764170000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 78 coordinates: [ 0.165764170000000, 0.665764170000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 18 - symbol: F # 79 coordinates: [ 0.834235830000000, 0.500000000000000, 0.165764170000000 ] mass: 18.998403 reduced_to: 19 - symbol: F # 80 coordinates: [ 0.000000000000000, 0.665764170000000, 0.165764170000000 ] mass: 18.998403 reduced_to: 20 - symbol: K # 81 coordinates: [ 0.250000000000000, 0.250000000000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 81 - symbol: K # 82 coordinates: [ 0.750000000000000, 0.250000000000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 82 - symbol: K # 83 coordinates: [ 0.250000000000000, 0.750000000000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 81 - symbol: K # 84 coordinates: [ 0.750000000000000, 0.750000000000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 82 - symbol: K # 85 coordinates: [ 0.750000000000000, 0.250000000000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 81 - symbol: K # 86 coordinates: [ 0.250000000000000, 0.250000000000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 82 - symbol: K # 87 coordinates: [ 0.750000000000000, 0.750000000000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 81 - symbol: K # 88 coordinates: [ 0.250000000000000, 0.750000000000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 82 - symbol: Tb # 89 coordinates: [ 0.500000000000000, 0.000000000000000, 0.260219860000000 ] mass: 158.925350 reduced_to: 89 - symbol: Tb # 90 coordinates: [ 0.500000000000000, 0.239780140000000, 0.500000000000000 ] mass: 158.925350 reduced_to: 90 - symbol: Tb # 91 coordinates: [ 0.500000000000000, 0.260219860000000, 0.000000000000000 ] mass: 158.925350 reduced_to: 91 - symbol: Tb # 92 coordinates: [ 0.760219860000000, 0.000000000000000, 0.000000000000000 ] mass: 158.925350 reduced_to: 92 - symbol: Tb # 93 coordinates: [ 0.500000000000000, 0.000000000000000, 0.739780140000000 ] mass: 158.925350 reduced_to: 93 - symbol: Tb # 94 coordinates: [ 0.239780140000000, 0.000000000000000, 0.000000000000000 ] mass: 158.925350 reduced_to: 94 - symbol: Tb # 95 coordinates: [ 0.500000000000000, 0.500000000000000, 0.760219860000000 ] mass: 158.925350 reduced_to: 89 - symbol: Tb # 96 coordinates: [ 0.500000000000000, 0.739780140000000, 0.000000000000000 ] mass: 158.925350 reduced_to: 90 - symbol: Tb # 97 coordinates: [ 0.500000000000000, 0.760219860000000, 0.500000000000000 ] mass: 158.925350 reduced_to: 91 - symbol: Tb # 98 coordinates: [ 0.760219860000000, 0.500000000000000, 0.500000000000000 ] mass: 158.925350 reduced_to: 92 - symbol: Tb # 99 coordinates: [ 0.500000000000000, 0.500000000000000, 0.239780140000000 ] mass: 158.925350 reduced_to: 93 - symbol: Tb # 100 coordinates: [ 0.239780140000000, 0.500000000000000, 0.500000000000000 ] mass: 158.925350 reduced_to: 94 - symbol: Tb # 101 coordinates: [ 0.000000000000000, 0.000000000000000, 0.760219860000000 ] mass: 158.925350 reduced_to: 89 - symbol: Tb # 102 coordinates: [ 0.000000000000000, 0.239780140000000, 0.000000000000000 ] mass: 158.925350 reduced_to: 90 - symbol: Tb # 103 coordinates: [ 0.000000000000000, 0.260219860000000, 0.500000000000000 ] mass: 158.925350 reduced_to: 91 - symbol: Tb # 104 coordinates: [ 0.260219860000000, 0.000000000000000, 0.500000000000000 ] mass: 158.925350 reduced_to: 92 - symbol: Tb # 105 coordinates: [ 0.000000000000000, 0.000000000000000, 0.239780140000000 ] mass: 158.925350 reduced_to: 93 - symbol: Tb # 106 coordinates: [ 0.739780140000000, 0.000000000000000, 0.500000000000000 ] mass: 158.925350 reduced_to: 94 - symbol: Tb # 107 coordinates: [ 0.000000000000000, 0.500000000000000, 0.260219860000000 ] mass: 158.925350 reduced_to: 89 - symbol: Tb # 108 coordinates: [ 0.000000000000000, 0.739780140000000, 0.500000000000000 ] mass: 158.925350 reduced_to: 90 - symbol: Tb # 109 coordinates: [ 0.000000000000000, 0.760219860000000, 0.000000000000000 ] mass: 158.925350 reduced_to: 91 - symbol: Tb # 110 coordinates: [ 0.260219860000000, 0.500000000000000, 0.000000000000000 ] mass: 158.925350 reduced_to: 92 - symbol: Tb # 111 coordinates: [ 0.000000000000000, 0.500000000000000, 0.739780140000000 ] mass: 158.925350 reduced_to: 93 - symbol: Tb # 112 coordinates: [ 0.739780140000000, 0.500000000000000, 0.000000000000000 ] mass: 158.925350 reduced_to: 94displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0624630900000000, -0.0103441500000000, -0.0103441500000000 ] - [ 0.0008680100000000, -0.0002238000000000, -0.0001287000000000 ] - [ 0.0008680100000000, -0.0001287000000000, -0.0002238000000000 ] - [ 0.0202604000000000, -0.0007687600000000, -0.0007687600000000 ] - [ 0.0003010300000000, -0.0007358100000000, 0.0000200300000000 ] - [ -0.0007245000000000, -0.0000196100000000, -0.0000196100000000 ] - [ 0.0003010300000000, 0.0000200300000000, -0.0007358100000000 ] - [ 0.0000708000000000, 0.0002974300000000, 0.0002974300000000 ] - [ -0.0002538800000000, -0.0003646200000000, 0.0000560000000000 ] - [ -0.0008104600000000, -0.0000147700000000, -0.0003399900000000 ] - [ 0.0002531700000000, 0.0003593600000000, 0.0000219600000000 ] - [ -0.0002168700000000, 0.0017662400000000, 0.0037494100000000 ] - [ -0.0002168700000000, 0.0037494100000000, 0.0017662400000000 ] - [ -0.0008104600000000, -0.0003399900000000, -0.0000147700000000 ] - [ 0.0002531700000000, 0.0000219600000000, 0.0003593600000000 ] - [ -0.0006125100000000, 0.0001149900000000, 0.0004174900000000 ] - [ 0.0028150100000000, 0.0019883500000000, 0.0001810900000000 ] - [ -0.0029587200000000, -0.0008625800000000, 0.0010295000000000 ] - [ 0.0001821100000000, 0.0003008300000000, -0.0001100400000000 ] - [ -0.0008510900000000, 0.0023996800000000, -0.0040072400000000 ] - [ -0.0003702100000000, -0.0000220700000000, -0.0000220700000000 ] - [ 0.0005169600000000, 0.0000199500000000, 0.0002787200000000 ] - [ 0.0005169600000000, 0.0002787200000000, 0.0000199500000000 ] - [ 0.0001275300000000, -0.0000201100000000, -0.0000201100000000 ] - [ 0.0000308100000000, 0.0001829200000000, 0.0002641600000000 ] - [ -0.0022929700000000, 0.0009112400000000, 0.0009112400000000 ] - [ 0.0000308100000000, 0.0002641600000000, 0.0001829200000000 ] - [ -0.0003958000000000, -0.0004336700000000, -0.0004336700000000 ] - [ -0.0002538800000000, 0.0000560000000000, -0.0003646200000000 ] - [ -0.0006061200000000, -0.0000244700000000, 0.0000803900000000 ] - [ -0.0001172600000000, -0.0000912700000000, 0.0000688100000000 ] - [ -0.0001859100000000, 0.0002445700000000, 0.0001590300000000 ] - [ -0.0001859100000000, 0.0001590300000000, 0.0002445700000000 ] - [ -0.0006061200000000, 0.0000803900000000, -0.0000244700000000 ] - [ -0.0001172600000000, 0.0000688100000000, -0.0000912700000000 ] - [ -0.0029587200000000, 0.0010295000000000, -0.0008625800000000 ] - [ 0.0001821100000000, -0.0001100400000000, 0.0003008300000000 ] - [ -0.0006125100000000, 0.0004174900000000, 0.0001149900000000 ] - [ 0.0028150100000000, 0.0001810900000000, 0.0019883500000000 ] - [ -0.0008510900000000, -0.0040072400000000, 0.0023996800000000 ] - [ 0.0005733800000000, -0.0000223500000000, 0.0002505300000000 ] - [ -0.0004438100000000, 0.0001414700000000, -0.0001272600000000 ] - [ -0.0051340100000000, -0.0011899000000000, 0.0007159600000000 ] - [ 0.0000376500000000, -0.0001411600000000, 0.0002227500000000 ] - [ 0.0001404800000000, 0.0001837200000000, -0.0000915300000000 ] - [ 0.0007152800000000, -0.0002643200000000, 0.0000928900000000 ] - [ 0.0003221100000000, -0.0009126900000000, -0.0017535700000000 ] - [ 0.0000481400000000, -0.0004735100000000, 0.0002972500000000 ] - [ 0.0012001200000000, -0.0002436400000000, -0.0002436400000000 ] - [ 0.0003832700000000, 0.0000209900000000, 0.0001524100000000 ] - [ -0.0001339200000000, -0.0000199900000000, 0.0000808400000000 ] - [ 0.0008577600000000, -0.0001232900000000, 0.0005109700000000 ] - [ 0.0001424600000000, -0.0000942800000000, 0.0000194400000000 ] - [ 0.0019537700000000, 0.0007385300000000, -0.0002666700000000 ] - [ 0.0066470800000000, -0.0033093900000000, 0.0029789300000000 ] - [ 0.0004868500000000, 0.0000322900000000, -0.0001357500000000 ] - [ -0.0000906300000000, -0.0002098400000000, -0.0002073400000000 ] - [ 0.0004868500000000, -0.0001357500000000, 0.0000322900000000 ] - [ -0.0000906300000000, -0.0002073400000000, -0.0002098400000000 ] - [ 0.0003740700000000, -0.0001463500000000, -0.0001463500000000 ] - [ 0.0005733800000000, 0.0002505300000000, -0.0000223500000000 ] - [ -0.0051340100000000, 0.0007159600000000, -0.0011899000000000 ] - [ -0.0004438100000000, -0.0001272600000000, 0.0001414700000000 ] - [ 0.0000376500000000, 0.0002227500000000, -0.0001411600000000 ] - [ 0.0003221100000000, -0.0017535700000000, -0.0009126900000000 ] - [ 0.0007152800000000, 0.0000928900000000, -0.0002643200000000 ] - [ 0.0001404800000000, -0.0000915300000000, 0.0001837200000000 ] - [ 0.0000481400000000, 0.0002972500000000, -0.0004735100000000 ] - [ 0.0001008000000000, 0.0000553700000000, 0.0000553700000000 ] - [ 0.0019537700000000, -0.0002666700000000, 0.0007385300000000 ] - [ 0.0066470800000000, 0.0029789300000000, -0.0033093900000000 ] - [ 0.0001424600000000, 0.0000194400000000, -0.0000942800000000 ] - [ 0.0008577600000000, 0.0005109700000000, -0.0001232900000000 ] - [ 0.0003832700000000, 0.0001524100000000, 0.0000209900000000 ] - [ -0.0001339200000000, 0.0000808400000000, -0.0000199900000000 ] - [ 0.0012068800000000, -0.0000144700000000, -0.0009442700000000 ] - [ 0.0029922400000000, 0.0048909300000000, -0.0006116400000000 ] - [ 0.0012068800000000, -0.0009442700000000, -0.0000144700000000 ] - [ 0.0029922400000000, -0.0006116400000000, 0.0048909300000000 ] - [ 0.0005627400000000, 0.0002242200000000, 0.0002242200000000 ] - [ -0.0012811100000000, -0.0006419500000000, -0.0006419500000000 ] - [ 0.0024541500000000, -0.0002532400000000, -0.0002532400000000 ] - [ -0.0002598400000000, 0.0000034600000000, 0.0000034600000000 ] - [ 0.0002753800000000, -0.0004282100000000, -0.0004282100000000 ] - [ 0.0005528700000000, 0.0004727800000000, -0.0005195800000000 ] - [ -0.0005760100000000, -0.0000167100000000, 0.0002799900000000 ] - [ 0.0005528700000000, -0.0005195800000000, 0.0004727800000000 ] - [ -0.0005760100000000, 0.0002799900000000, -0.0000167100000000 ] - [ 0.0006487500000000, -0.0014299600000000, 0.0005209400000000 ] - [ 0.0010667000000000, -0.0007072400000000, -0.0013713000000000 ] - [ 0.0153831400000000, 0.0038719700000000, -0.0017507100000000 ] - [ 0.0010391800000000, 0.0003836600000000, -0.0002573000000000 ] - [ 0.0010667000000000, -0.0013713000000000, -0.0007072400000000 ] - [ -0.0018369400000000, -0.0013818500000000, 0.0001628200000000 ] - [ 0.0153831400000000, -0.0017507100000000, 0.0038719700000000 ] - [ 0.0022063100000000, 0.0002829100000000, 0.0009043000000000 ] - [ 0.0006487500000000, 0.0005209400000000, -0.0014299600000000 ] - [ 0.0010391800000000, -0.0002573000000000, 0.0003836600000000 ] - [ 0.0022063100000000, 0.0009043000000000, 0.0002829100000000 ] - [ -0.0018369400000000, 0.0001628200000000, -0.0013818500000000 ] - [ -0.0010515500000000, 0.0003136300000000, 0.0002914300000000 ] - [ -0.0048615900000000, 0.0021956900000000, -0.0003818500000000 ] - [ -0.0010515500000000, 0.0002914300000000, 0.0003136300000000 ] - [ -0.0008716100000000, -0.0001552500000000, -0.0001552500000000 ] - [ -0.0006426600000000, 0.0000631500000000, -0.0002999100000000 ] - [ 0.0009855600000000, 0.0002366200000000, 0.0002366200000000 ] - [ -0.0028035300000000, -0.0001885500000000, -0.0015094300000000 ] - [ -0.0006426600000000, -0.0002999100000000, 0.0000631500000000 ] - [ -0.0028035300000000, -0.0015094300000000, -0.0001885500000000 ] - [ -0.0049384500000000, 0.0028873700000000, 0.0028873700000000 ] - [ -0.0048615900000000, -0.0003818500000000, 0.0021956900000000 ] - [ 0.0108181800000000, 0.0017155800000000, 0.0017155800000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0630804900000000, 0.0100859100000000, 0.0100859100000000 ] - [ -0.0008421700000000, 0.0002438600000000, 0.0001028800000000 ] - [ -0.0008421700000000, 0.0001028800000000, 0.0002438600000000 ] - [ -0.0208129300000000, 0.0007486100000000, 0.0007486100000000 ] - [ -0.0003313400000000, 0.0007556600000000, -0.0000459100000000 ] - [ 0.0007459400000000, 0.0000466100000000, 0.0000466100000000 ] - [ -0.0003313400000000, -0.0000459100000000, 0.0007556600000000 ] - [ -0.0000938700000000, -0.0002708000000000, -0.0002708000000000 ] - [ 0.0002546200000000, 0.0003300800000000, -0.0000921400000000 ] - [ 0.0008411600000000, 0.0000174200000000, 0.0003049500000000 ] - [ -0.0002843300000000, -0.0003578400000000, -0.0000587500000000 ] - [ 0.0002323300000000, -0.0018017000000000, -0.0037072000000000 ] - [ 0.0002323300000000, -0.0037072000000000, -0.0018017000000000 ] - [ 0.0008411600000000, 0.0003049500000000, 0.0000174200000000 ] - [ -0.0002843300000000, -0.0000587500000000, -0.0003578400000000 ] - [ 0.0006456300000000, -0.0001132900000000, -0.0003846700000000 ] - [ -0.0028312500000000, -0.0019402700000000, -0.0001794400000000 ] - [ 0.0029797600000000, 0.0009217800000000, -0.0010428800000000 ] - [ -0.0002171300000000, -0.0003007600000000, 0.0001456200000000 ] - [ 0.0008534600000000, -0.0023727900000000, 0.0040658800000000 ] - [ 0.0003938300000000, -0.0000026300000000, -0.0000026300000000 ] - [ -0.0004916300000000, 0.0000052200000000, -0.0003011800000000 ] - [ -0.0004916300000000, -0.0003011800000000, 0.0000052200000000 ] - [ -0.0001537600000000, -0.0000049600000000, -0.0000049600000000 ] - [ -0.0000595800000000, -0.0001585600000000, -0.0002858200000000 ] - [ 0.0022997100000000, -0.0008861900000000, -0.0008861900000000 ] - [ -0.0000595800000000, -0.0002858200000000, -0.0001585600000000 ] - [ 0.0003749800000000, 0.0004597700000000, 0.0004597700000000 ] - [ 0.0002546200000000, -0.0000921400000000, 0.0003300800000000 ] - [ 0.0006367800000000, 0.0000222900000000, -0.0001170200000000 ] - [ 0.0000855000000000, 0.0000911700000000, -0.0001052500000000 ] - [ 0.0001847300000000, -0.0002809800000000, -0.0001264100000000 ] - [ 0.0001847300000000, -0.0001264100000000, -0.0002809800000000 ] - [ 0.0006367800000000, -0.0001170200000000, 0.0000222900000000 ] - [ 0.0000855000000000, -0.0001052500000000, 0.0000911700000000 ] - [ 0.0029797600000000, -0.0010428800000000, 0.0009217800000000 ] - [ -0.0002171300000000, 0.0001456200000000, -0.0003007600000000 ] - [ 0.0006456300000000, -0.0003846700000000, -0.0001132900000000 ] - [ -0.0028312500000000, -0.0001794400000000, -0.0019402700000000 ] - [ 0.0008534600000000, 0.0040658800000000, -0.0023727900000000 ] - [ -0.0005484200000000, -0.0000029300000000, -0.0002731200000000 ] - [ 0.0004665100000000, -0.0001156100000000, 0.0001044100000000 ] - [ 0.0051477800000000, 0.0011576600000000, -0.0008012800000000 ] - [ -0.0000672000000000, 0.0001160700000000, -0.0002446400000000 ] - [ -0.0001651500000000, -0.0001580000000000, 0.0000681900000000 ] - [ -0.0006887200000000, 0.0002859300000000, -0.0000663000000000 ] - [ -0.0003382200000000, 0.0008848000000000, 0.0017835100000000 ] - [ -0.0000783700000000, 0.0004943800000000, -0.0002707700000000 ] - [ -0.0011986200000000, 0.0002061600000000, 0.0002061600000000 ] - [ -0.0003486500000000, -0.0000209600000000, -0.0001864500000000 ] - [ 0.0000966200000000, 0.0000202400000000, -0.0001145100000000 ] - [ -0.0008557100000000, 0.0000880500000000, -0.0004702500000000 ] - [ -0.0001442000000000, 0.0001287200000000, -0.0000538000000000 ] - [ -0.0019225900000000, -0.0007754300000000, 0.0002701600000000 ] - [ -0.0065913200000000, 0.0032354200000000, -0.0029225100000000 ] - [ -0.0004522800000000, -0.0000324400000000, 0.0001700500000000 ] - [ 0.0000526200000000, 0.0002440400000000, 0.0002071200000000 ] - [ -0.0004522800000000, 0.0001700500000000, -0.0000324400000000 ] - [ 0.0000526200000000, 0.0002071200000000, 0.0002440400000000 ] - [ -0.0003758600000000, 0.0001803400000000, 0.0001803400000000 ] - [ -0.0005484200000000, -0.0002731200000000, -0.0000029300000000 ] - [ 0.0051477800000000, -0.0008012800000000, 0.0011576600000000 ] - [ 0.0004665100000000, 0.0001044100000000, -0.0001156100000000 ] - [ -0.0000672000000000, -0.0002446400000000, 0.0001160700000000 ] - [ -0.0003382200000000, 0.0017835100000000, 0.0008848000000000 ] - [ -0.0006887200000000, -0.0000663000000000, 0.0002859300000000 ] - [ -0.0001651500000000, 0.0000681900000000, -0.0001580000000000 ] - [ -0.0000783700000000, -0.0002707700000000, 0.0004943800000000 ] - [ -0.0001024900000000, -0.0000892400000000, -0.0000892400000000 ] - [ -0.0019225900000000, 0.0002701600000000, -0.0007754300000000 ] - [ -0.0065913200000000, -0.0029225100000000, 0.0032354200000000 ] - [ -0.0001442000000000, -0.0000538000000000, 0.0001287200000000 ] - [ -0.0008557100000000, -0.0004702500000000, 0.0000880500000000 ] - [ -0.0003486500000000, -0.0001864500000000, -0.0000209600000000 ] - [ 0.0000966200000000, -0.0001145100000000, 0.0000202400000000 ] - [ -0.0011737300000000, 0.0000142700000000, 0.0009839000000000 ] - [ -0.0030072300000000, -0.0048255600000000, 0.0006020300000000 ] - [ -0.0011737300000000, 0.0009839000000000, 0.0000142700000000 ] - [ -0.0030072300000000, 0.0006020300000000, -0.0048255600000000 ] - [ -0.0005625800000000, -0.0001879600000000, -0.0001879600000000 ] - [ 0.0012775200000000, 0.0006474200000000, 0.0006474200000000 ] - [ -0.0023798300000000, 0.0001744900000000, 0.0001744900000000 ] - [ 0.0002568000000000, -0.0000040600000000, -0.0000040600000000 ] - [ -0.0002743600000000, 0.0004261700000000, 0.0004261700000000 ] - [ -0.0005474300000000, -0.0004730000000000, 0.0005194300000000 ] - [ 0.0005722600000000, 0.0000174600000000, -0.0002813500000000 ] - [ -0.0005474300000000, 0.0005194300000000, -0.0004730000000000 ] - [ 0.0005722600000000, -0.0002813500000000, 0.0000174600000000 ] - [ -0.0006521200000000, 0.0014307900000000, -0.0006107100000000 ] - [ -0.0010711700000000, 0.0007898300000000, 0.0013592000000000 ] - [ -0.0157097900000000, -0.0044130700000000, 0.0021111000000000 ] - [ -0.0011135300000000, -0.0003938300000000, 0.0002594800000000 ] - [ -0.0010711700000000, 0.0013592000000000, 0.0007898300000000 ] - [ 0.0019162900000000, 0.0013805100000000, -0.0001610200000000 ] - [ -0.0157097900000000, 0.0021111000000000, -0.0044130700000000 ] - [ -0.0022216400000000, -0.0001814900000000, -0.0008891700000000 ] - [ -0.0006521200000000, -0.0006107100000000, 0.0014307900000000 ] - [ -0.0011135300000000, 0.0002594800000000, -0.0003938300000000 ] - [ -0.0022216400000000, -0.0008891700000000, -0.0001814900000000 ] - [ 0.0019162900000000, -0.0001610200000000, 0.0013805100000000 ] - [ 0.0010514100000000, -0.0003126000000000, -0.0003784400000000 ] - [ 0.0048433300000000, -0.0020824900000000, 0.0003807200000000 ] - [ 0.0010514100000000, -0.0003784400000000, -0.0003126000000000 ] - [ 0.0007754100000000, 0.0001541100000000, 0.0001541100000000 ] - [ 0.0006420600000000, -0.0000627500000000, 0.0003872300000000 ] - [ -0.0008913800000000, -0.0002382400000000, -0.0002382400000000 ] - [ 0.0027952500000000, 0.0001861700000000, 0.0014062200000000 ] - [ 0.0006420600000000, 0.0003872300000000, -0.0000627500000000 ] - [ 0.0027952500000000, 0.0014062200000000, 0.0001861700000000 ] - [ 0.0048492300000000, -0.0029113400000000, -0.0029113400000000 ] - [ 0.0048433300000000, 0.0003807200000000, -0.0020824900000000 ] - [ -0.0102945200000000, -0.0012807700000000, -0.0012807700000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003346900000000, -0.0006376500000000, -0.0007697200000000 ] - [ 0.0001243900000000, -0.0001025300000000, -0.0001656800000000 ] - [ -0.0000912000000000, -0.0006447300000000, 0.0000517100000000 ] - [ 0.0003346900000000, -0.0006376500000000, -0.0007697200000000 ] - [ -0.0001243900000000, -0.0001025300000000, -0.0001656800000000 ] - [ -0.0023770900000000, 0.0030165400000000, -0.0019568800000000 ] - [ 0.0000912000000000, -0.0006447300000000, 0.0000517100000000 ] - [ 0.0023770900000000, 0.0030165400000000, -0.0019568800000000 ] - [ 0.0000000000000000, -0.0824159400000000, 0.0469841700000000 ] - [ -0.0003000400000000, 0.0002598200000000, -0.0004994300000000 ] - [ 0.0003000400000000, 0.0002598200000000, -0.0004994300000000 ] - [ 0.0000000000000000, -0.0051693400000000, -0.0045943700000000 ] - [ 0.0000000000000000, -0.0002107400000000, -0.0008444400000000 ] - [ -0.0038058900000000, -0.0054797900000000, -0.0003435800000000 ] - [ 0.0038058900000000, -0.0054797900000000, -0.0003435800000000 ] - [ -0.0008110000000000, 0.0006406300000000, 0.0008920900000000 ] - [ 0.0001835500000000, -0.0003275100000000, 0.0002363200000000 ] - [ -0.0001835500000000, -0.0003275100000000, 0.0002363200000000 ] - [ 0.0008110000000000, 0.0006406300000000, 0.0008920900000000 ] - [ 0.0000000000000000, 0.0033128000000000, 0.0067491700000000 ] - [ 0.0000883600000000, 0.0019259000000000, -0.0001110000000000 ] - [ -0.0004783100000000, 0.0002797000000000, 0.0003903800000000 ] - [ 0.0000493000000000, 0.0004573700000000, 0.0001106300000000 ] - [ -0.0000883600000000, 0.0019259000000000, -0.0001110000000000 ] - [ 0.0004783100000000, 0.0002797000000000, 0.0003903800000000 ] - [ 0.0040832100000000, 0.0028534000000000, -0.0048768000000000 ] - [ -0.0000493000000000, 0.0004573700000000, 0.0001106300000000 ] - [ -0.0040832100000000, 0.0028534000000000, -0.0048768000000000 ] - [ 0.0000000000000000, 0.0010827500000000, -0.0009873700000000 ] - [ 0.0111334700000000, 0.0047668700000000, 0.0037910800000000 ] - [ -0.0111334700000000, 0.0047668700000000, 0.0037910800000000 ] - [ 0.0000000000000000, 0.0022390100000000, 0.0008466700000000 ] - [ 0.0000000000000000, 0.0057582100000000, 0.0046215600000000 ] - [ 0.0005571600000000, 0.0010151300000000, -0.0001217200000000 ] - [ -0.0005571600000000, 0.0010151300000000, -0.0001217200000000 ] - [ -0.0004260900000000, -0.0006060200000000, 0.0003343500000000 ] - [ -0.0003407600000000, 0.0006391900000000, 0.0008728300000000 ] - [ 0.0003407600000000, 0.0006391900000000, 0.0008728300000000 ] - [ 0.0004260900000000, -0.0006060200000000, 0.0003343500000000 ] - [ 0.0000000000000000, -0.0001476400000000, 0.0004654000000000 ] - [ -0.0002101000000000, -0.0008428300000000, 0.0003106900000000 ] - [ -0.0036897000000000, 0.0065968900000000, -0.0008896300000000 ] - [ 0.0017984100000000, -0.0030076600000000, -0.0032512700000000 ] - [ 0.0002101000000000, -0.0008428300000000, 0.0003106900000000 ] - [ 0.0036897000000000, 0.0065968900000000, -0.0008896300000000 ] - [ 0.0001768100000000, -0.0000577500000000, 0.0002408600000000 ] - [ -0.0017984100000000, -0.0030076600000000, -0.0032512700000000 ] - [ -0.0001768100000000, -0.0000577500000000, 0.0002408600000000 ] - [ 0.0000000000000000, -0.0002983700000000, -0.0000569800000000 ] - [ 0.0006948700000000, 0.0003440300000000, 0.0004394500000000 ] - [ -0.0006948700000000, 0.0003440300000000, 0.0004394500000000 ] - [ 0.0000000000000000, -0.0006194200000000, -0.0000858700000000 ] - [ 0.0000000000000000, -0.0001111400000000, 0.0000874400000000 ] - [ -0.0004409900000000, -0.0007864000000000, -0.0001028000000000 ] - [ 0.0004409900000000, -0.0007864000000000, -0.0001028000000000 ] - [ 0.0005724600000000, 0.0001846400000000, -0.0005291300000000 ] - [ -0.0008925900000000, -0.0003250900000000, -0.0001027800000000 ] - [ 0.0008925900000000, -0.0003250900000000, -0.0001027800000000 ] - [ -0.0005724600000000, 0.0001846400000000, -0.0005291300000000 ] - [ 0.0000000000000000, -0.0000925300000000, -0.0001012400000000 ] - [ 0.0000852700000000, 0.0003530000000000, -0.0001827600000000 ] - [ -0.0001291900000000, -0.0000913100000000, -0.0009810100000000 ] - [ 0.0002771300000000, 0.0011788300000000, 0.0001009500000000 ] - [ -0.0000852700000000, 0.0003530000000000, -0.0001827600000000 ] - [ 0.0001291900000000, -0.0000913100000000, -0.0009810100000000 ] - [ -0.0001926400000000, 0.0002111400000000, 0.0001403000000000 ] - [ -0.0002771300000000, 0.0011788300000000, 0.0001009500000000 ] - [ 0.0001926400000000, 0.0002111400000000, 0.0001403000000000 ] - [ 0.0000000000000000, 0.0004971400000000, -0.0000564800000000 ] - [ -0.0003015100000000, -0.0001108700000000, -0.0005560300000000 ] - [ 0.0003015100000000, -0.0001108700000000, -0.0005560300000000 ] - [ 0.0000000000000000, 0.0003739700000000, 0.0001470200000000 ] - [ 0.0000000000000000, 0.0000858900000000, -0.0001478700000000 ] - [ 0.0004980500000000, 0.0010110500000000, 0.0000737500000000 ] - [ -0.0004980500000000, 0.0010110500000000, 0.0000737500000000 ] - [ -0.0008139400000000, -0.0002408800000000, -0.0001812800000000 ] - [ 0.0005323700000000, 0.0004618600000000, -0.0002337300000000 ] - [ -0.0005323700000000, 0.0004618600000000, -0.0002337300000000 ] - [ 0.0008139400000000, -0.0002408800000000, -0.0001812800000000 ] - [ 0.0000000000000000, 0.0003022100000000, -0.0000993400000000 ] - [ -0.0005127700000000, 0.0003995500000000, 0.0005646700000000 ] - [ 0.0005127700000000, 0.0003995500000000, 0.0005646700000000 ] - [ 0.0006686400000000, -0.0013089700000000, -0.0001279400000000 ] - [ -0.0006686400000000, -0.0013089700000000, -0.0001279400000000 ] - [ 0.0015302400000000, 0.0015535400000000, -0.0011231500000000 ] - [ -0.0015302400000000, 0.0015535400000000, -0.0011231500000000 ] - [ -0.0000378800000000, -0.0003662300000000, 0.0001209200000000 ] - [ 0.0000378800000000, -0.0003662300000000, 0.0001209200000000 ] - [ 0.0000000000000000, -0.0077449000000000, -0.0032767200000000 ] - [ 0.0000000000000000, 0.0179870700000000, -0.0128656900000000 ] - [ 0.0000000000000000, 0.0046023700000000, -0.0004681500000000 ] - [ 0.0004596400000000, -0.0009769900000000, -0.0003159600000000 ] - [ 0.0000000000000000, -0.0026662000000000, 0.0024375600000000 ] - [ -0.0004596400000000, -0.0009769900000000, -0.0003159600000000 ] - [ 0.0000000000000000, 0.0028201500000000, 0.0015692800000000 ] - [ 0.0000000000000000, -0.0038829200000000, 0.0027888300000000 ] - [ 0.0000000000000000, -0.0045553000000000, -0.0029783500000000 ] - [ -0.0021331000000000, 0.0027577200000000, -0.0047811000000000 ] - [ 0.0000000000000000, 0.0427664700000000, -0.0198414600000000 ] - [ 0.0021331000000000, 0.0027577200000000, -0.0047811000000000 ] - [ 0.0000000000000000, -0.0004749400000000, 0.0005747000000000 ] - [ 0.0000000000000000, 0.0011025100000000, 0.0000723700000000 ] - [ 0.0000000000000000, 0.0015376900000000, -0.0001424600000000 ] - [ -0.0029046300000000, -0.0032231000000000, 0.0008310100000000 ] - [ 0.0000000000000000, -0.0007445700000000, -0.0006156200000000 ] - [ 0.0029046300000000, -0.0032231000000000, 0.0008310100000000 ] - [ 0.0000000000000000, 0.0007913800000000, -0.0004600400000000 ] - [ 0.0000000000000000, -0.0013221800000000, -0.0004347400000000 ] - [ 0.0000000000000000, -0.0012176300000000, 0.0003428100000000 ] - [ 0.0021316800000000, 0.0011890700000000, 0.0027241900000000 ] - [ 0.0000000000000000, 0.0004949600000000, 0.0003246400000000 ] - [ -0.0021316800000000, 0.0011890700000000, 0.0027241900000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003584000000000, 0.0006075100000000, 0.0007454600000000 ] - [ -0.0001002700000000, 0.0001268000000000, 0.0001414900000000 ] - [ 0.0001185100000000, 0.0006156800000000, -0.0000313300000000 ] - [ -0.0003584000000000, 0.0006075100000000, 0.0007454600000000 ] - [ 0.0001002700000000, 0.0001268000000000, 0.0001414900000000 ] - [ 0.0023935300000000, -0.0029841700000000, 0.0019697700000000 ] - [ -0.0001185100000000, 0.0006156800000000, -0.0000313300000000 ] - [ -0.0023935300000000, -0.0029841700000000, 0.0019697700000000 ] - [ 0.0000000000000000, 0.0805677900000000, -0.0460631100000000 ] - [ 0.0003330400000000, -0.0002587400000000, 0.0004637200000000 ] - [ -0.0003330400000000, -0.0002587400000000, 0.0004637200000000 ] - [ 0.0000000000000000, 0.0051634900000000, 0.0046387500000000 ] - [ 0.0000000000000000, 0.0002449800000000, 0.0008115800000000 ] - [ 0.0037714000000000, 0.0054401200000000, 0.0002719400000000 ] - [ -0.0037714000000000, 0.0054401200000000, 0.0002719400000000 ] - [ 0.0008452700000000, -0.0006367200000000, -0.0008587700000000 ] - [ -0.0002153200000000, 0.0003625400000000, -0.0002346900000000 ] - [ 0.0002153200000000, 0.0003625400000000, -0.0002346900000000 ] - [ -0.0008452700000000, -0.0006367200000000, -0.0008587700000000 ] - [ 0.0000000000000000, -0.0033049000000000, -0.0067921300000000 ] - [ -0.0000618400000000, -0.0019485500000000, 0.0000883200000000 ] - [ 0.0005014700000000, -0.0002593100000000, -0.0004105500000000 ] - [ -0.0000257900000000, -0.0004797700000000, -0.0000868300000000 ] - [ 0.0000618400000000, -0.0019485500000000, 0.0000883200000000 ] - [ -0.0005014700000000, -0.0002593100000000, -0.0004105500000000 ] - [ -0.0039920300000000, -0.0027948600000000, 0.0048382800000000 ] - [ 0.0000257900000000, -0.0004797700000000, -0.0000868300000000 ] - [ 0.0039920300000000, -0.0027948600000000, 0.0048382800000000 ] - [ 0.0000000000000000, -0.0011096200000000, 0.0009453800000000 ] - [ -0.0109407900000000, -0.0047295000000000, -0.0037863400000000 ] - [ 0.0109407900000000, -0.0047295000000000, -0.0037863400000000 ] - [ 0.0000000000000000, -0.0022614000000000, -0.0008103600000000 ] - [ 0.0000000000000000, -0.0056844400000000, -0.0046119500000000 ] - [ -0.0005169400000000, -0.0010408400000000, 0.0001195600000000 ] - [ 0.0005169400000000, -0.0010408400000000, 0.0001195600000000 ] - [ 0.0004605100000000, 0.0005986700000000, -0.0003064600000000 ] - [ 0.0002998000000000, -0.0006125600000000, -0.0008682800000000 ] - [ -0.0002998000000000, -0.0006125600000000, -0.0008682800000000 ] - [ -0.0004605100000000, 0.0005986700000000, -0.0003064600000000 ] - [ 0.0000000000000000, 0.0001745400000000, -0.0004289300000000 ] - [ 0.0002379800000000, 0.0008110900000000, -0.0003327300000000 ] - [ 0.0037666500000000, -0.0066426700000000, 0.0008963700000000 ] - [ -0.0017716700000000, 0.0029336300000000, 0.0032912800000000 ] - [ -0.0002379800000000, 0.0008110900000000, -0.0003327300000000 ] - [ -0.0037666500000000, -0.0066426700000000, 0.0008963700000000 ] - [ -0.0001515500000000, 0.0000843100000000, -0.0002148800000000 ] - [ 0.0017716700000000, 0.0029336300000000, 0.0032912800000000 ] - [ 0.0001515500000000, 0.0000843100000000, -0.0002148800000000 ] - [ 0.0000000000000000, 0.0002632700000000, 0.0000217200000000 ] - [ -0.0006637200000000, -0.0003423000000000, -0.0004740000000000 ] - [ 0.0006637200000000, -0.0003423000000000, -0.0004740000000000 ] - [ 0.0000000000000000, 0.0005819300000000, 0.0001214700000000 ] - [ 0.0000000000000000, 0.0001467400000000, -0.0001202400000000 ] - [ 0.0004723300000000, 0.0007463600000000, 0.0001038200000000 ] - [ -0.0004723300000000, 0.0007463600000000, 0.0001038200000000 ] - [ -0.0005401500000000, -0.0001835800000000, 0.0005640700000000 ] - [ 0.0008580500000000, 0.0003649400000000, 0.0001020100000000 ] - [ -0.0008580500000000, 0.0003649400000000, 0.0001020100000000 ] - [ 0.0005401500000000, -0.0001835800000000, 0.0005640700000000 ] - [ 0.0000000000000000, 0.0001265600000000, 0.0001324800000000 ] - [ -0.0000612100000000, -0.0003769200000000, 0.0001576300000000 ] - [ 0.0001548900000000, 0.0001102400000000, 0.0009481100000000 ] - [ -0.0002506100000000, -0.0011998300000000, -0.0000757000000000 ] - [ 0.0000612100000000, -0.0003769200000000, 0.0001576300000000 ] - [ -0.0001548900000000, 0.0001102400000000, 0.0009481100000000 ] - [ 0.0002181900000000, -0.0001895000000000, -0.0001173500000000 ] - [ 0.0002506100000000, -0.0011998300000000, -0.0000757000000000 ] - [ -0.0002181900000000, -0.0001895000000000, -0.0001173500000000 ] - [ 0.0000000000000000, -0.0005288300000000, 0.0000224100000000 ] - [ 0.0003317600000000, 0.0001083500000000, 0.0005174800000000 ] - [ -0.0003317600000000, 0.0001083500000000, 0.0005174800000000 ] - [ 0.0000000000000000, -0.0004072300000000, -0.0001126800000000 ] - [ 0.0000000000000000, -0.0000554800000000, 0.0001109500000000 ] - [ -0.0004656100000000, -0.0010448300000000, -0.0000734900000000 ] - [ 0.0004656100000000, -0.0010448300000000, -0.0000734900000000 ] - [ 0.0008421900000000, 0.0002350200000000, 0.0002172800000000 ] - [ -0.0005613500000000, -0.0004291900000000, 0.0002313700000000 ] - [ 0.0005613500000000, -0.0004291900000000, 0.0002313700000000 ] - [ -0.0008421900000000, 0.0002350200000000, 0.0002172800000000 ] - [ 0.0000000000000000, -0.0002722100000000, 0.0001347700000000 ] - [ 0.0005118500000000, -0.0004017900000000, -0.0005597500000000 ] - [ -0.0005118500000000, -0.0004017900000000, -0.0005597500000000 ] - [ -0.0006603200000000, 0.0013019200000000, 0.0001249900000000 ] - [ 0.0006603200000000, 0.0013019200000000, 0.0001249900000000 ] - [ -0.0014977700000000, -0.0015696500000000, 0.0011099500000000 ] - [ 0.0014977700000000, -0.0015696500000000, 0.0011099500000000 ] - [ 0.0000365200000000, 0.0003648300000000, -0.0001197300000000 ] - [ -0.0000365200000000, 0.0003648300000000, -0.0001197300000000 ] - [ 0.0000000000000000, 0.0077249400000000, 0.0032029100000000 ] - [ 0.0000000000000000, -0.0182512800000000, 0.0136618500000000 ] - [ 0.0000000000000000, -0.0046910100000000, 0.0004372600000000 ] - [ -0.0005502400000000, 0.0009639100000000, 0.0003155900000000 ] - [ 0.0000000000000000, 0.0026530800000000, -0.0023452200000000 ] - [ 0.0005502400000000, 0.0009639100000000, 0.0003155900000000 ] - [ 0.0000000000000000, -0.0028077300000000, -0.0016411100000000 ] - [ 0.0000000000000000, 0.0039364500000000, -0.0027555500000000 ] - [ 0.0000000000000000, 0.0044545900000000, 0.0029490900000000 ] - [ 0.0020618900000000, -0.0027056800000000, 0.0047662500000000 ] - [ 0.0000000000000000, -0.0404706600000000, 0.0183889800000000 ] - [ -0.0020618900000000, -0.0027056800000000, 0.0047662500000000 ] - [ 0.0000000000000000, 0.0004677500000000, -0.0006600400000000 ] - [ 0.0000000000000000, -0.0010140900000000, -0.0000752000000000 ] - [ 0.0000000000000000, -0.0016280900000000, 0.0001446700000000 ] - [ 0.0028253500000000, 0.0032097500000000, -0.0008392600000000 ] - [ 0.0000000000000000, 0.0007327600000000, 0.0007015400000000 ] - [ -0.0028253500000000, 0.0032097500000000, -0.0008392600000000 ] - [ 0.0000000000000000, -0.0007808200000000, 0.0003650000000000 ] - [ 0.0000000000000000, 0.0014105700000000, 0.0004316300000000 ] - [ 0.0000000000000000, 0.0011247000000000, -0.0003414800000000 ] - [ -0.0022023900000000, -0.0011630400000000, -0.0027118400000000 ] - [ 0.0000000000000000, -0.0004896300000000, -0.0002299500000000 ] - [ 0.0022023900000000, -0.0011630400000000, -0.0027118400000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002424200000000, -0.0000351000000000, -0.0002813200000000 ] - [ 0.0001564200000000, 0.0000315000000000, 0.0000200800000000 ] - [ 0.0008689200000000, 0.0001028000000000, -0.0003459400000000 ] - [ -0.0002656200000000, 0.0000113900000000, 0.0002552800000000 ] - [ 0.0001315400000000, -0.0000086500000000, -0.0000447500000000 ] - [ -0.0008498300000000, 0.0006275500000000, -0.0001724500000000 ] - [ 0.0008459300000000, -0.0001258300000000, 0.0003716100000000 ] - [ -0.0008537600000000, -0.0005858100000000, 0.0001882400000000 ] - [ -0.0296695900000000, -0.0000799300000000, -0.0000799300000000 ] - [ -0.0000937000000000, -0.0000255500000000, -0.0000915700000000 ] - [ -0.0001241200000000, 0.0000256000000000, 0.0000554100000000 ] - [ -0.0005973300000000, -0.0000268500000000, 0.0000067400000000 ] - [ -0.0001173900000000, 0.0000163300000000, -0.0000185500000000 ] - [ 0.0047962600000000, 0.0002924400000000, 0.0077232900000000 ] - [ 0.0047016600000000, -0.0003232500000000, -0.0075867300000000 ] - [ -0.0002217800000000, -0.0001807000000000, -0.0000860300000000 ] - [ -0.0002530600000000, 0.0001190500000000, 0.0001789000000000 ] - [ -0.0002217800000000, -0.0000860300000000, -0.0001807000000000 ] - [ -0.0002530600000000, 0.0001789000000000, 0.0001190500000000 ] - [ -0.0016375500000000, 0.0000231900000000, 0.0000231900000000 ] - [ -0.0002424200000000, -0.0002813200000000, -0.0000351000000000 ] - [ 0.0008689200000000, -0.0003459400000000, 0.0001028000000000 ] - [ 0.0001564200000000, 0.0000200800000000, 0.0000315000000000 ] - [ -0.0002656200000000, 0.0002552800000000, 0.0000113900000000 ] - [ 0.0008459300000000, 0.0003716100000000, -0.0001258300000000 ] - [ -0.0008498300000000, -0.0001724500000000, 0.0006275500000000 ] - [ 0.0001315400000000, -0.0000447500000000, -0.0000086500000000 ] - [ -0.0008537600000000, 0.0001882400000000, -0.0005858100000000 ] - [ -0.0000738800000000, -0.0000163500000000, -0.0000163500000000 ] - [ 0.0047962600000000, 0.0077232900000000, 0.0002924400000000 ] - [ 0.0047016600000000, -0.0075867300000000, -0.0003232500000000 ] - [ -0.0001173900000000, -0.0000185500000000, 0.0000163300000000 ] - [ -0.0005973300000000, 0.0000067400000000, -0.0000268500000000 ] - [ -0.0000937000000000, -0.0000915700000000, -0.0000255500000000 ] - [ -0.0001241200000000, 0.0000554100000000, 0.0000256000000000 ] - [ -0.0005878600000000, 0.0003439600000000, 0.0008890900000000 ] - [ -0.0006159200000000, -0.0008520000000000, -0.0003427900000000 ] - [ -0.0005878600000000, 0.0008890900000000, 0.0003439600000000 ] - [ -0.0006159200000000, -0.0003427900000000, -0.0008520000000000 ] - [ -0.0002847800000000, 0.0000164800000000, 0.0000164800000000 ] - [ 0.0012111100000000, -0.0000269100000000, -0.0000269100000000 ] - [ -0.0002170100000000, -0.0029461900000000, 0.0010317100000000 ] - [ -0.0002170100000000, 0.0010317100000000, -0.0029461900000000 ] - [ 0.0011889000000000, 0.0000049600000000, 0.0000049600000000 ] - [ -0.0002314900000000, 0.0029545100000000, -0.0010407900000000 ] - [ 0.0003874500000000, 0.0002177600000000, 0.0002177600000000 ] - [ -0.0002314900000000, -0.0010407900000000, 0.0029545100000000 ] - [ 0.0003640900000000, -0.0001967200000000, -0.0001967200000000 ] - [ 0.0001849900000000, -0.0000161800000000, -0.0000167500000000 ] - [ 0.0003612200000000, 0.0001830900000000, 0.0000879900000000 ] - [ 0.0003269200000000, -0.0001849600000000, -0.0001190600000000 ] - [ 0.0004977200000000, -0.0000160700000000, 0.0000156000000000 ] - [ 0.0004977200000000, 0.0000156000000000, -0.0000160700000000 ] - [ 0.0003612200000000, 0.0000879900000000, 0.0001830900000000 ] - [ 0.0003269200000000, -0.0001190600000000, -0.0001849600000000 ] - [ 0.0002021600000000, 0.0000334600000000, -0.0002160800000000 ] - [ 0.0006222200000000, -0.0002202900000000, 0.0001809500000000 ] - [ 0.0006566700000000, 0.0002503300000000, -0.0001787000000000 ] - [ 0.0001675300000000, -0.0000333900000000, 0.0002495000000000 ] - [ 0.0002227800000000, 0.0000156700000000, 0.0000173900000000 ] - [ 0.0001144500000000, 0.0000089900000000, 0.0000089900000000 ] - [ -0.0001736400000000, 0.0001032800000000, -0.0000253600000000 ] - [ -0.0001736400000000, -0.0000253600000000, 0.0001032800000000 ] - [ 0.0000898100000000, -0.0000331800000000, -0.0000331800000000 ] - [ -0.0001963100000000, -0.0000790100000000, 0.0000031500000000 ] - [ 0.0005755800000000, -0.0002883700000000, -0.0002883700000000 ] - [ -0.0001963100000000, 0.0000031500000000, -0.0000790100000000 ] - [ 0.0005512100000000, 0.0003136000000000, 0.0003136000000000 ] - [ 0.0001849900000000, -0.0000167500000000, -0.0000161800000000 ] - [ 0.0002773400000000, -0.0000254300000000, 0.0001046800000000 ] - [ 0.0002431000000000, 0.0000257300000000, -0.0001369900000000 ] - [ 0.0001166900000000, -0.0000163700000000, 0.0000169600000000 ] - [ 0.0001166900000000, 0.0000169600000000, -0.0000163700000000 ] - [ 0.0002773400000000, 0.0001046800000000, -0.0000254300000000 ] - [ 0.0002431000000000, -0.0001369900000000, 0.0000257300000000 ] - [ 0.0006566700000000, -0.0001787000000000, 0.0002503300000000 ] - [ 0.0001675300000000, 0.0002495000000000, -0.0000333900000000 ] - [ 0.0002021600000000, -0.0002160800000000, 0.0000334600000000 ] - [ 0.0006222200000000, 0.0001809500000000, -0.0002202900000000 ] - [ 0.0002227800000000, 0.0000173900000000, 0.0000156700000000 ] - [ -0.0000638500000000, -0.0001900800000000, 0.0003328300000000 ] - [ -0.0000609200000000, 0.0001915700000000, -0.0003329000000000 ] - [ -0.0000638500000000, 0.0003328300000000, -0.0001900800000000 ] - [ -0.0000609200000000, -0.0003329000000000, 0.0001915700000000 ] - [ -0.0020620100000000, 0.0011656600000000, 0.0011656600000000 ] - [ -0.0020798900000000, -0.0011684200000000, -0.0011684200000000 ] - [ -0.0000057500000000, -0.0000874800000000, -0.0000874800000000 ] - [ -0.0000070600000000, 0.0000872200000000, 0.0000872200000000 ] - [ 0.0020955900000000, 0.0000019300000000, -0.0000476000000000 ] - [ 0.0108751400000000, 0.0001139900000000, -0.0001306000000000 ] - [ 0.0020955900000000, -0.0000476000000000, 0.0000019300000000 ] - [ -0.0001229100000000, 0.0002879300000000, 0.0002879300000000 ] - [ 0.0003831100000000, -0.0000035600000000, 0.0000514600000000 ] - [ -0.0000328500000000, -0.0002834100000000, -0.0002834100000000 ] - [ 0.0015371000000000, 0.0000031100000000, -0.0000449000000000 ] - [ 0.0003831100000000, 0.0000514600000000, -0.0000035600000000 ] - [ 0.0015371000000000, -0.0000449000000000, 0.0000031100000000 ] - [ -0.0031633700000000, -0.0029467500000000, -0.0029467500000000 ] - [ 0.0108751400000000, -0.0001306000000000, 0.0001139900000000 ] - [ -0.0030733600000000, 0.0029359200000000, 0.0029359200000000 ] - [ -0.0005042200000000, 0.0000006600000000, -0.0000464800000000 ] - [ -0.0010563200000000, 0.0000474500000000, 0.0000033800000000 ] - [ -0.0023726100000000, -0.0000451300000000, -0.0000034500000000 ] - [ -0.0003446700000000, -0.0008917900000000, 0.0007803500000000 ] - [ -0.0010563200000000, 0.0000033800000000, 0.0000474500000000 ] - [ -0.0002414000000000, 0.0008919300000000, -0.0007887200000000 ] - [ -0.0023726100000000, -0.0000034500000000, -0.0000451300000000 ] - [ -0.0011205700000000, 0.0000457600000000, -0.0000011900000000 ] - [ -0.0005042200000000, -0.0000464800000000, 0.0000006600000000 ] - [ -0.0003446700000000, 0.0007803500000000, -0.0008917900000000 ] - [ -0.0011205700000000, -0.0000011900000000, 0.0000457600000000 ] - [ -0.0002414000000000, -0.0007887200000000, 0.0008919300000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0012669800000000, -0.0005342800000000, -0.0005342800000000 ] - [ 0.0023927800000000, 0.0001888500000000, -0.0001888500000000 ] - [ 0.0023927800000000, -0.0001888500000000, 0.0001888500000000 ] - [ 0.0024409800000000, 0.0002383100000000, 0.0002383100000000 ] - [ -0.0012929600000000, -0.0005049800000000, 0.0005049800000000 ] - [ -0.0012669800000000, 0.0005342800000000, 0.0005342800000000 ] - [ -0.0012929600000000, 0.0005049800000000, -0.0005049800000000 ] - [ 0.0024409800000000, -0.0002383100000000, -0.0002383100000000 ] - [ -0.0000616400000000, -0.0005316700000000, 0.0006464400000000 ] - [ -0.0012872000000000, 0.0003341600000000, -0.0005813900000000 ] - [ 0.0015519300000000, 0.0011624300000000, -0.0011350000000000 ] - [ -0.0020602000000000, -0.0015348500000000, 0.0015348500000000 ] - [ -0.0020602000000000, 0.0015348500000000, -0.0015348500000000 ] - [ -0.0012872000000000, -0.0005813900000000, 0.0003341600000000 ] - [ 0.0015519300000000, -0.0011350000000000, 0.0011624300000000 ] - [ -0.0003461100000000, 0.0000877000000000, 0.0001382400000000 ] - [ 0.0015519300000000, 0.0011350000000000, -0.0011624300000000 ] - [ -0.0012872000000000, 0.0005813900000000, -0.0003341600000000 ] - [ 0.0003835500000000, 0.0001904400000000, 0.0001467500000000 ] - [ -0.0000616400000000, 0.0005316700000000, -0.0006464400000000 ] - [ -0.0002451400000000, -0.0000085100000000, -0.0000085100000000 ] - [ 0.0002869200000000, 0.0000298000000000, -0.0000298000000000 ] - [ 0.0002869200000000, -0.0000298000000000, 0.0000298000000000 ] - [ 0.0002634500000000, 0.0000038000000000, 0.0000038000000000 ] - [ -0.0002720000000000, 0.0000159700000000, -0.0000159700000000 ] - [ -0.0002451400000000, 0.0000085100000000, 0.0000085100000000 ] - [ -0.0002720000000000, -0.0000159700000000, 0.0000159700000000 ] - [ 0.0002634500000000, -0.0000038000000000, -0.0000038000000000 ] - [ -0.0000616400000000, 0.0006464400000000, -0.0005316700000000 ] - [ -0.0003461100000000, -0.0000877000000000, -0.0001382400000000 ] - [ 0.0003835500000000, -0.0001904400000000, -0.0001467500000000 ] - [ -0.0000064400000000, 0.0000185300000000, -0.0000185300000000 ] - [ -0.0000064400000000, -0.0000185300000000, 0.0000185300000000 ] - [ -0.0003461100000000, -0.0001382400000000, -0.0000877000000000 ] - [ 0.0003835500000000, -0.0001467500000000, -0.0001904400000000 ] - [ -0.0012872000000000, -0.0003341600000000, 0.0005813900000000 ] - [ 0.0003835500000000, 0.0001467500000000, 0.0001904400000000 ] - [ -0.0003461100000000, 0.0001382400000000, 0.0000877000000000 ] - [ 0.0015519300000000, -0.0011624300000000, 0.0011350000000000 ] - [ -0.0000616400000000, -0.0006464400000000, 0.0005316700000000 ] - [ 0.0005610900000000, 0.0004598000000000, -0.0006576800000000 ] - [ -0.0005609400000000, 0.0004402600000000, 0.0002690500000000 ] - [ -0.0005609400000000, -0.0004402600000000, -0.0002690500000000 ] - [ -0.0005873300000000, 0.0004137900000000, -0.0002923600000000 ] - [ 0.0005394100000000, 0.0004862200000000, 0.0006316400000000 ] - [ 0.0005610900000000, -0.0004598000000000, 0.0006576800000000 ] - [ 0.0005394100000000, -0.0004862200000000, -0.0006316400000000 ] - [ -0.0005873300000000, -0.0004137900000000, 0.0002923600000000 ] - [ -0.0020821600000000, 0.0014935500000000, 0.0014935500000000 ] - [ 0.0004181700000000, -0.0001911200000000, 0.0001069000000000 ] - [ -0.0003844500000000, -0.0000871700000000, 0.0001022100000000 ] - [ -0.0000641900000000, 0.0004926100000000, 0.0006821300000000 ] - [ -0.0000641900000000, -0.0004926100000000, -0.0006821300000000 ] - [ 0.0015718500000000, 0.0010986200000000, 0.0011718400000000 ] - [ -0.0013231600000000, 0.0005429900000000, 0.0003312300000000 ] - [ 0.0015718500000000, -0.0011718400000000, -0.0010986200000000 ] - [ -0.0013231600000000, -0.0005429900000000, -0.0003312300000000 ] - [ 0.0015718500000000, -0.0010986200000000, -0.0011718400000000 ] - [ -0.0013231600000000, -0.0003312300000000, -0.0005429900000000 ] - [ -0.0020821600000000, -0.0014935500000000, -0.0014935500000000 ] - [ 0.0005610900000000, -0.0006576800000000, 0.0004598000000000 ] - [ -0.0005609400000000, -0.0002690500000000, -0.0004402600000000 ] - [ -0.0005609400000000, 0.0002690500000000, 0.0004402600000000 ] - [ -0.0005873300000000, -0.0002923600000000, 0.0004137900000000 ] - [ 0.0005394100000000, -0.0006316400000000, -0.0004862200000000 ] - [ 0.0005610900000000, 0.0006576800000000, -0.0004598000000000 ] - [ 0.0005394100000000, 0.0006316400000000, 0.0004862200000000 ] - [ -0.0005873300000000, 0.0002923600000000, -0.0004137900000000 ] - [ -0.0000075900000000, -0.0000557600000000, -0.0000557600000000 ] - [ 0.0015718500000000, 0.0011718400000000, 0.0010986200000000 ] - [ -0.0013231600000000, 0.0003312300000000, 0.0005429900000000 ] - [ -0.0000641900000000, -0.0006821300000000, -0.0004926100000000 ] - [ -0.0000641900000000, 0.0006821300000000, 0.0004926100000000 ] - [ 0.0004181700000000, 0.0001069000000000, -0.0001911200000000 ] - [ -0.0003844500000000, 0.0001022100000000, -0.0000871700000000 ] - [ 0.0004181700000000, 0.0001911200000000, -0.0001069000000000 ] - [ -0.0003844500000000, -0.0001022100000000, 0.0000871700000000 ] - [ 0.0004181700000000, -0.0001069000000000, 0.0001911200000000 ] - [ -0.0003844500000000, 0.0000871700000000, -0.0001022100000000 ] - [ -0.0000075900000000, 0.0000557600000000, 0.0000557600000000 ] - [ -0.0160875900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0019295100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002717500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002537100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005511700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0007002300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005511700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0007002300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001125400000000, -0.0006661300000000, -0.0001198100000000 ] - [ 0.0030009800000000, -0.0004012100000000, -0.0058169300000000 ] - [ 0.0030009800000000, 0.0004012100000000, 0.0058169300000000 ] - [ 0.0021653900000000, -0.0000560600000000, 0.0000560600000000 ] - [ 0.0030009800000000, -0.0058169300000000, -0.0004012100000000 ] - [ -0.0042709100000000, 0.0002683100000000, -0.0002683100000000 ] - [ 0.0030009800000000, 0.0058169300000000, 0.0004012100000000 ] - [ 0.0001125400000000, 0.0001198100000000, 0.0006661300000000 ] - [ 0.0001125400000000, -0.0001198100000000, -0.0006661300000000 ] - [ 0.0021653900000000, 0.0000560600000000, -0.0000560600000000 ] - [ 0.0001125400000000, 0.0006661300000000, 0.0001198100000000 ] - [ -0.0042709100000000, -0.0002683100000000, 0.0002683100000000 ] - [ 0.0030087900000000, 0.0057772700000000, -0.0004844300000000 ] - [ 0.0030087900000000, 0.0004844300000000, -0.0057772700000000 ] - [ 0.0030087900000000, -0.0004844300000000, 0.0057772700000000 ] - [ -0.0043662500000000, -0.0002509200000000, -0.0002509200000000 ] - [ 0.0001188500000000, 0.0006651800000000, -0.0000296700000000 ] - [ 0.0022539600000000, 0.0000509500000000, 0.0000509500000000 ] - [ 0.0001188500000000, -0.0006651800000000, 0.0000296700000000 ] - [ 0.0001188500000000, -0.0000296700000000, 0.0006651800000000 ] - [ 0.0001188500000000, 0.0000296700000000, -0.0006651800000000 ] - [ -0.0043662500000000, 0.0002509200000000, 0.0002509200000000 ] - [ 0.0030087900000000, -0.0057772700000000, 0.0004844300000000 ] - [ 0.0022539600000000, -0.0000509500000000, -0.0000509500000000 ]- atom: 89 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006668500000000, -0.0001965800000000, 0.0001491500000000 ] - [ -0.0027874700000000, 0.0014402300000000, -0.0013879200000000 ] - [ -0.0006332500000000, 0.0000494300000000, 0.0001653600000000 ] - [ 0.0006334000000000, 0.0001789900000000, -0.0001753100000000 ] - [ -0.0028111900000000, -0.0014209500000000, 0.0013734900000000 ] - [ 0.0022299500000000, -0.0008885800000000, -0.0028837300000000 ] - [ -0.0006520200000000, -0.0000757800000000, -0.0001436200000000 ] - [ 0.0021973800000000, 0.0009053000000000, 0.0029144700000000 ] - [ 0.0020951000000000, -0.0000086100000000, -0.0000124400000000 ] - [ 0.0028374300000000, 0.0000000000000000, 0.0029537400000000 ] - [ 0.0027908500000000, 0.0000000000000000, -0.0029739100000000 ] - [ 0.0003821500000000, -0.0000143400000000, 0.0000199200000000 ] - [ 0.0015362400000000, 0.0000113300000000, -0.0000214500000000 ] - [ 0.0011992500000000, -0.0008474600000000, -0.0007834700000000 ] - [ 0.0011530400000000, 0.0008224100000000, 0.0007849300000000 ] - [ 0.0428133000000000, 0.0000000000000000, -0.0140370400000000 ] - [ 0.0026983600000000, 0.0047729200000000, -0.0029347200000000 ] - [ 0.0027675600000000, -0.0047744200000000, 0.0029477700000000 ] - [ 0.0404252600000000, 0.0000000000000000, 0.0125094700000000 ] - [ 0.0108735600000000, -0.0000049300000000, 0.0000164400000000 ] - [ 0.0157439800000000, -0.0021270500000000, 0.0017191200000000 ] - [ -0.0010418000000000, -0.0002986500000000, 0.0002249500000000 ] - [ -0.0048352700000000, -0.0013704500000000, -0.0003692000000000 ] - [ 0.0153497500000000, 0.0017334300000000, -0.0012743900000000 ] - [ -0.0010608700000000, 0.0003264800000000, -0.0002507800000000 ] - [ 0.0010879900000000, 0.0003878200000000, 0.0002678000000000 ] - [ -0.0048684500000000, 0.0013597700000000, 0.0004075200000000 ] - [ 0.0010501400000000, -0.0003744800000000, -0.0002494700000000 ] - [ 0.0015362400000000, -0.0000113300000000, -0.0000214500000000 ] - [ 0.0008081100000000, 0.0000000000000000, 0.0001284100000000 ] - [ 0.0007641100000000, 0.0000000000000000, -0.0001587500000000 ] - [ 0.0108735600000000, 0.0000049300000000, 0.0000164400000000 ] - [ 0.0020951000000000, 0.0000086100000000, -0.0000124400000000 ] - [ 0.0027675600000000, 0.0047744200000000, 0.0029477700000000 ] - [ 0.0026983600000000, -0.0047729200000000, -0.0029347200000000 ] - [ 0.0005109600000000, 0.0000000000000000, -0.0004178600000000 ] - [ 0.0011530400000000, -0.0008224100000000, 0.0007849300000000 ] - [ 0.0011992500000000, 0.0008474600000000, -0.0007834700000000 ] - [ 0.0004734300000000, 0.0000000000000000, 0.0004501000000000 ] - [ 0.0003821500000000, 0.0000143400000000, 0.0000199200000000 ] - [ -0.0010418000000000, 0.0002986500000000, 0.0002249500000000 ] - [ 0.0157439800000000, 0.0021270500000000, 0.0017191200000000 ] - [ 0.0010879900000000, -0.0003878200000000, 0.0002678000000000 ] - [ -0.0010608700000000, -0.0003264800000000, -0.0002507800000000 ] - [ 0.0153497500000000, -0.0017334300000000, -0.0012743900000000 ] - [ -0.0048352700000000, 0.0013704500000000, -0.0003692000000000 ] - [ 0.0010501400000000, 0.0003744800000000, -0.0002494700000000 ] - [ -0.0048684500000000, -0.0013597700000000, 0.0004075200000000 ] - [ -0.0005041900000000, -0.0000191500000000, -0.0000144000000000 ] - [ -0.0076977800000000, 0.0000000000000000, 0.0004151000000000 ] - [ -0.0077718000000000, 0.0000000000000000, -0.0004912400000000 ] - [ -0.0010568900000000, -0.0000202800000000, 0.0000168300000000 ] - [ -0.0023733100000000, 0.0000071600000000, -0.0000234000000000 ] - [ -0.0009583600000000, 0.0002943100000000, -0.0002846200000000 ] - [ -0.0009827200000000, -0.0003372000000000, 0.0002866500000000 ] - [ -0.0026439900000000, 0.0000000000000000, 0.0027880100000000 ] - [ -0.0032289000000000, -0.0027029800000000, -0.0008956400000000 ] - [ -0.0032044500000000, 0.0027328000000000, 0.0008883200000000 ] - [ -0.0026739200000000, 0.0000000000000000, -0.0027555700000000 ] - [ -0.0011217200000000, 0.0000153100000000, 0.0000170000000000 ] - [ -0.0027874700000000, -0.0014402300000000, -0.0013879200000000 ] - [ 0.0006668500000000, 0.0001965800000000, 0.0001491500000000 ] - [ 0.0022299500000000, 0.0008885800000000, -0.0028837300000000 ] - [ -0.0028111900000000, 0.0014209500000000, 0.0013734900000000 ] - [ 0.0006334000000000, -0.0001789900000000, -0.0001753100000000 ] - [ -0.0006332500000000, -0.0000494300000000, 0.0001653600000000 ] - [ 0.0021973800000000, -0.0009053000000000, 0.0029144700000000 ] - [ -0.0006520200000000, 0.0000757800000000, -0.0001436200000000 ] - [ -0.0023733100000000, -0.0000071600000000, -0.0000234000000000 ] - [ -0.0004584800000000, 0.0000000000000000, -0.0003601000000000 ] - [ -0.0004861900000000, 0.0000000000000000, 0.0003243100000000 ] - [ -0.0011217200000000, -0.0000153100000000, 0.0000170000000000 ] - [ -0.0005041900000000, 0.0000191500000000, -0.0000144000000000 ] - [ -0.0032044500000000, -0.0027328000000000, 0.0008883200000000 ] - [ -0.0032289000000000, 0.0027029800000000, -0.0008956400000000 ] - [ -0.0007252900000000, 0.0000000000000000, 0.0000926400000000 ] - [ -0.0009827200000000, 0.0003372000000000, 0.0002866500000000 ] - [ -0.0009583600000000, -0.0002943100000000, -0.0002846200000000 ] - [ -0.0007505800000000, 0.0000000000000000, -0.0000548100000000 ] - [ -0.0010568900000000, 0.0000202800000000, 0.0000168300000000 ] - [ 0.0001186200000000, -0.0006646500000000, 0.0000528000000000 ] - [ 0.0001121100000000, 0.0006674000000000, -0.0000545900000000 ] - [ 0.0030092400000000, 0.0057739300000000, 0.0002618400000000 ] - [ 0.0030021800000000, -0.0058188100000000, -0.0002579200000000 ] - [ 0.0030021800000000, 0.0058188100000000, -0.0002579200000000 ] - [ 0.0030092400000000, -0.0057739300000000, 0.0002618400000000 ] - [ 0.0001121100000000, -0.0006674000000000, -0.0000545900000000 ] - [ 0.0001186200000000, 0.0006646500000000, 0.0000528000000000 ] - [ -0.1797385700000000, 0.0000000000000000, 0.0005656100000000 ] - [ -0.0157593700000000, 0.0000249200000000, -0.0000275800000000 ] - [ -0.0090890000000000, -0.0000674500000000, 0.0000563600000000 ] - [ 0.0135050700000000, 0.0000000000000000, -0.0224772600000000 ] - [ -0.0079303800000000, 0.0000000000000000, 0.0000413700000000 ] - [ 0.0135509300000000, 0.0000000000000000, 0.0223027700000000 ] - [ -0.0019564800000000, 0.0000000000000000, -0.0000457500000000 ] - [ -0.0090890000000000, 0.0000674500000000, 0.0000563600000000 ] - [ -0.0157593700000000, -0.0000249200000000, -0.0000275800000000 ] - [ 0.0005859000000000, 0.0000000000000000, 0.0007360200000000 ] - [ -0.0034739800000000, 0.0000000000000000, 0.0000470200000000 ] - [ 0.0007041200000000, 0.0000000000000000, -0.0007349200000000 ] - [ 0.0064184900000000, 0.0000000000000000, -0.0000515100000000 ] - [ 0.0058532000000000, 0.0000617000000000, -0.0000096300000000 ] - [ 0.0058534700000000, -0.0000387300000000, 0.0000084300000000 ] - [ 0.0114940400000000, 0.0000000000000000, -0.0173651700000000 ] - [ 0.0171791800000000, 0.0000000000000000, 0.0000417300000000 ] - [ 0.0115425100000000, 0.0000000000000000, 0.0174762400000000 ] - [ 0.0032155000000000, 0.0000000000000000, -0.0000459600000000 ] - [ 0.0058534700000000, 0.0000387300000000, 0.0000084300000000 ] - [ 0.0058532000000000, -0.0000617000000000, -0.0000096300000000 ] - [ -0.0002125000000000, 0.0000000000000000, 0.0007352400000000 ] - [ 0.0017594000000000, 0.0000000000000000, 0.0000471500000000 ] - [ -0.0001472000000000, 0.0000000000000000, -0.0007348600000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0005811400000000, 0.0014448300000000, -0.0018933600000000 ] - [ -0.0014448300000000, 0.0005811400000000, -0.0018933600000000 ] - [ 0.0003579000000000, -0.0003579000000000, -0.0008109500000000 ] - [ -0.0005811400000000, 0.0014448300000000, -0.0018933600000000 ] - [ 0.0014448300000000, 0.0005811400000000, -0.0018933600000000 ] - [ -0.0002230800000000, -0.0002230800000000, -0.0048878200000000 ] - [ -0.0003579000000000, -0.0003579000000000, -0.0008109500000000 ] - [ 0.0002230800000000, -0.0002230800000000, -0.0048878200000000 ] - [ 0.0000000000000000, -0.0032626800000000, 0.0046398100000000 ] - [ -0.0015966400000000, 0.0000000000000000, -0.0045296300000000 ] - [ 0.0015966400000000, 0.0000000000000000, -0.0045296300000000 ] - [ 0.0000000000000000, -0.0024157400000000, -0.0038971000000000 ] - [ 0.0000000000000000, -0.0015966400000000, -0.0045296300000000 ] - [ -0.0021526700000000, -0.0028885800000000, -0.0002927700000000 ] - [ 0.0021526700000000, -0.0028885800000000, -0.0002927700000000 ] - [ -0.0186368900000000, 0.0000000000000000, 0.0179435000000000 ] - [ -0.0021117900000000, 0.0021117900000000, -0.0031232700000000 ] - [ 0.0021117900000000, 0.0021117900000000, -0.0031232700000000 ] - [ 0.0186368900000000, 0.0000000000000000, 0.0179435000000000 ] - [ 0.0000000000000000, -0.0186368900000000, 0.0179435000000000 ] - [ 0.0043576400000000, -0.0043576400000000, 0.0107559400000000 ] - [ 0.0003499100000000, 0.0003499100000000, 0.0009267300000000 ] - [ -0.0021288200000000, -0.0007647000000000, 0.0010879900000000 ] - [ -0.0043576400000000, -0.0043576400000000, 0.0107559400000000 ] - [ -0.0003499100000000, 0.0003499100000000, 0.0009267300000000 ] - [ 0.0007647000000000, -0.0021288200000000, 0.0010879900000000 ] - [ 0.0021288200000000, -0.0007647000000000, 0.0010879900000000 ] - [ -0.0007647000000000, -0.0021288200000000, 0.0010879900000000 ] - [ 0.0000000000000000, 0.0015966400000000, -0.0045296300000000 ] - [ 0.0004322600000000, 0.0000000000000000, 0.0015680500000000 ] - [ -0.0004322600000000, 0.0000000000000000, 0.0015680500000000 ] - [ 0.0000000000000000, 0.0186368900000000, 0.0179435000000000 ] - [ 0.0000000000000000, 0.0032626800000000, 0.0046398100000000 ] - [ 0.0021117900000000, -0.0021117900000000, -0.0031232700000000 ] - [ -0.0021117900000000, -0.0021117900000000, -0.0031232700000000 ] - [ 0.0002942500000000, 0.0000000000000000, -0.0013480200000000 ] - [ 0.0021526700000000, 0.0028885800000000, -0.0002927700000000 ] - [ -0.0021526700000000, 0.0028885800000000, -0.0002927700000000 ] - [ -0.0002942500000000, 0.0000000000000000, -0.0013480200000000 ] - [ 0.0000000000000000, 0.0024157400000000, -0.0038971000000000 ] - [ 0.0003499100000000, -0.0003499100000000, 0.0009267300000000 ] - [ 0.0043576400000000, 0.0043576400000000, 0.0107559400000000 ] - [ 0.0007647000000000, 0.0021288200000000, 0.0010879900000000 ] - [ -0.0003499100000000, -0.0003499100000000, 0.0009267300000000 ] - [ -0.0043576400000000, 0.0043576400000000, 0.0107559400000000 ] - [ -0.0021288200000000, 0.0007647000000000, 0.0010879900000000 ] - [ -0.0007647000000000, 0.0021288200000000, 0.0010879900000000 ] - [ 0.0021288200000000, 0.0007647000000000, 0.0010879900000000 ] - [ 0.0000000000000000, 0.0006005600000000, -0.0011916200000000 ] - [ 0.0032626800000000, 0.0000000000000000, 0.0046398100000000 ] - [ -0.0032626800000000, 0.0000000000000000, 0.0046398100000000 ] - [ 0.0000000000000000, 0.0006419000000000, 0.0010774300000000 ] - [ 0.0000000000000000, 0.0004322600000000, 0.0015680500000000 ] - [ -0.0004863500000000, 0.0004863500000000, -0.0000791300000000 ] - [ 0.0004863500000000, 0.0004863500000000, -0.0000791300000000 ] - [ 0.0024157400000000, 0.0000000000000000, -0.0038971000000000 ] - [ -0.0028885800000000, -0.0021526700000000, -0.0002927700000000 ] - [ 0.0028885800000000, -0.0021526700000000, -0.0002927700000000 ] - [ -0.0024157400000000, 0.0000000000000000, -0.0038971000000000 ] - [ 0.0000000000000000, 0.0002942500000000, -0.0013480200000000 ] - [ -0.0014448300000000, -0.0005811400000000, -0.0018933600000000 ] - [ 0.0005811400000000, -0.0014448300000000, -0.0018933600000000 ] - [ -0.0002230800000000, 0.0002230800000000, -0.0048878200000000 ] - [ 0.0014448300000000, -0.0005811400000000, -0.0018933600000000 ] - [ -0.0005811400000000, -0.0014448300000000, -0.0018933600000000 ] - [ 0.0003579000000000, 0.0003579000000000, -0.0008109500000000 ] - [ 0.0002230800000000, 0.0002230800000000, -0.0048878200000000 ] - [ -0.0003579000000000, 0.0003579000000000, -0.0008109500000000 ] - [ 0.0000000000000000, -0.0004322600000000, 0.0015680500000000 ] - [ -0.0006005600000000, 0.0000000000000000, -0.0011916200000000 ] - [ 0.0006005600000000, 0.0000000000000000, -0.0011916200000000 ] - [ 0.0000000000000000, -0.0002942500000000, -0.0013480200000000 ] - [ 0.0000000000000000, -0.0006005600000000, -0.0011916200000000 ] - [ 0.0028885800000000, 0.0021526700000000, -0.0002927700000000 ] - [ -0.0028885800000000, 0.0021526700000000, -0.0002927700000000 ] - [ -0.0006419000000000, 0.0000000000000000, 0.0010774300000000 ] - [ 0.0004863500000000, -0.0004863500000000, -0.0000791300000000 ] - [ -0.0004863500000000, -0.0004863500000000, -0.0000791300000000 ] - [ 0.0006419000000000, 0.0000000000000000, 0.0010774300000000 ] - [ 0.0000000000000000, -0.0006419000000000, 0.0010774300000000 ] - [ -0.0000762100000000, 0.0000762100000000, 0.0022129800000000 ] - [ 0.0000762100000000, 0.0000762100000000, 0.0022129800000000 ] - [ 0.0004501200000000, 0.0004501200000000, -0.0043246700000000 ] - [ -0.0004501200000000, 0.0004501200000000, -0.0043246700000000 ] - [ -0.0004501200000000, -0.0004501200000000, -0.0043246700000000 ] - [ 0.0004501200000000, -0.0004501200000000, -0.0043246700000000 ] - [ 0.0000762100000000, -0.0000762100000000, 0.0022129800000000 ] - [ -0.0000762100000000, -0.0000762100000000, 0.0022129800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1651418400000000 ] - [ 0.0000000000000000, 0.0187489000000000, 0.0115330600000000 ] - [ 0.0000000000000000, -0.0136327300000000, 0.0135596400000000 ] - [ -0.0136327300000000, 0.0000000000000000, 0.0135596400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0146017600000000 ] - [ 0.0136327300000000, 0.0000000000000000, 0.0135596400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0060639200000000 ] - [ 0.0000000000000000, 0.0136327300000000, 0.0135596400000000 ] - [ 0.0000000000000000, -0.0187489000000000, 0.0115330600000000 ] - [ 0.0018190800000000, 0.0000000000000000, -0.0001841300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0073283800000000 ] - [ -0.0018190800000000, 0.0000000000000000, -0.0001841300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0060639200000000 ] - [ 0.0000000000000000, -0.0018185800000000, 0.0006501400000000 ] - [ 0.0000000000000000, 0.0018190800000000, -0.0001841300000000 ] - [ -0.0187489000000000, 0.0000000000000000, 0.0115330600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0073283800000000 ] - [ 0.0187489000000000, 0.0000000000000000, 0.0115330600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031686800000000 ] - [ 0.0000000000000000, -0.0018190800000000, -0.0001841300000000 ] - [ 0.0000000000000000, 0.0018185800000000, 0.0006501400000000 ] - [ 0.0018185800000000, 0.0000000000000000, 0.0006501400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030590300000000 ] - [ -0.0018185800000000, 0.0000000000000000, 0.0006501400000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0005546800000000, -0.0014657600000000, 0.0018624800000000 ] - [ 0.0014657600000000, -0.0005546800000000, 0.0018624800000000 ] - [ -0.0003324600000000, 0.0003324600000000, 0.0008332600000000 ] - [ 0.0005546800000000, -0.0014657600000000, 0.0018624800000000 ] - [ -0.0014657600000000, -0.0005546800000000, 0.0018624800000000 ] - [ 0.0002374000000000, 0.0002374000000000, 0.0048946700000000 ] - [ 0.0003324600000000, 0.0003324600000000, 0.0008332600000000 ] - [ -0.0002374000000000, 0.0002374000000000, 0.0048946700000000 ] - [ 0.0000000000000000, 0.0032210600000000, -0.0046499400000000 ] - [ 0.0016114000000000, 0.0000000000000000, 0.0044818800000000 ] - [ -0.0016114000000000, 0.0000000000000000, 0.0044818800000000 ] - [ 0.0000000000000000, 0.0023701000000000, 0.0039183700000000 ] - [ 0.0000000000000000, 0.0016114000000000, 0.0044818800000000 ] - [ 0.0021774800000000, 0.0028448800000000, 0.0002954100000000 ] - [ -0.0021774800000000, 0.0028448800000000, 0.0002954100000000 ] - [ 0.0195757500000000, 0.0000000000000000, -0.0182980600000000 ] - [ 0.0020861600000000, -0.0020861600000000, 0.0031150600000000 ] - [ -0.0020861600000000, -0.0020861600000000, 0.0031150600000000 ] - [ -0.0195757500000000, 0.0000000000000000, -0.0182980600000000 ] - [ 0.0000000000000000, 0.0195757500000000, -0.0182980600000000 ] - [ -0.0039320200000000, 0.0039320200000000, -0.0103555900000000 ] - [ -0.0003252600000000, -0.0003252600000000, -0.0009454300000000 ] - [ 0.0021449600000000, 0.0007361500000000, -0.0010677500000000 ] - [ 0.0039320200000000, 0.0039320200000000, -0.0103555900000000 ] - [ 0.0003252600000000, -0.0003252600000000, -0.0009454300000000 ] - [ -0.0007361500000000, 0.0021449600000000, -0.0010677500000000 ] - [ -0.0021449600000000, 0.0007361500000000, -0.0010677500000000 ] - [ 0.0007361500000000, 0.0021449600000000, -0.0010677500000000 ] - [ 0.0000000000000000, -0.0016114000000000, 0.0044818800000000 ] - [ -0.0003956800000000, 0.0000000000000000, -0.0015951600000000 ] - [ 0.0003956800000000, 0.0000000000000000, -0.0015951600000000 ] - [ 0.0000000000000000, -0.0195757500000000, -0.0182980600000000 ] - [ 0.0000000000000000, -0.0032210600000000, -0.0046499400000000 ] - [ -0.0020861600000000, 0.0020861600000000, 0.0031150600000000 ] - [ 0.0020861600000000, 0.0020861600000000, 0.0031150600000000 ] - [ -0.0002621400000000, 0.0000000000000000, 0.0013805800000000 ] - [ -0.0021774800000000, -0.0028448800000000, 0.0002954100000000 ] - [ 0.0021774800000000, -0.0028448800000000, 0.0002954100000000 ] - [ 0.0002621400000000, 0.0000000000000000, 0.0013805800000000 ] - [ 0.0000000000000000, -0.0023701000000000, 0.0039183700000000 ] - [ -0.0003252600000000, 0.0003252600000000, -0.0009454300000000 ] - [ -0.0039320200000000, -0.0039320200000000, -0.0103555900000000 ] - [ -0.0007361500000000, -0.0021449600000000, -0.0010677500000000 ] - [ 0.0003252600000000, 0.0003252600000000, -0.0009454300000000 ] - [ 0.0039320200000000, -0.0039320200000000, -0.0103555900000000 ] - [ 0.0021449600000000, -0.0007361500000000, -0.0010677500000000 ] - [ 0.0007361500000000, -0.0021449600000000, -0.0010677500000000 ] - [ -0.0021449600000000, -0.0007361500000000, -0.0010677500000000 ] - [ 0.0000000000000000, -0.0006316400000000, 0.0011532700000000 ] - [ -0.0032210600000000, 0.0000000000000000, -0.0046499400000000 ] - [ 0.0032210600000000, 0.0000000000000000, -0.0046499400000000 ] - [ 0.0000000000000000, -0.0006727200000000, -0.0010423200000000 ] - [ 0.0000000000000000, -0.0003956800000000, -0.0015951600000000 ] - [ 0.0005200800000000, -0.0005200800000000, 0.0000772500000000 ] - [ -0.0005200800000000, -0.0005200800000000, 0.0000772500000000 ] - [ -0.0023701000000000, 0.0000000000000000, 0.0039183700000000 ] - [ 0.0028448800000000, 0.0021774800000000, 0.0002954100000000 ] - [ -0.0028448800000000, 0.0021774800000000, 0.0002954100000000 ] - [ 0.0023701000000000, 0.0000000000000000, 0.0039183700000000 ] - [ 0.0000000000000000, -0.0002621400000000, 0.0013805800000000 ] - [ 0.0014657600000000, 0.0005546800000000, 0.0018624800000000 ] - [ -0.0005546800000000, 0.0014657600000000, 0.0018624800000000 ] - [ 0.0002374000000000, -0.0002374000000000, 0.0048946700000000 ] - [ -0.0014657600000000, 0.0005546800000000, 0.0018624800000000 ] - [ 0.0005546800000000, 0.0014657600000000, 0.0018624800000000 ] - [ -0.0003324600000000, -0.0003324600000000, 0.0008332600000000 ] - [ -0.0002374000000000, -0.0002374000000000, 0.0048946700000000 ] - [ 0.0003324600000000, -0.0003324600000000, 0.0008332600000000 ] - [ 0.0000000000000000, 0.0003956800000000, -0.0015951600000000 ] - [ 0.0006316400000000, 0.0000000000000000, 0.0011532700000000 ] - [ -0.0006316400000000, 0.0000000000000000, 0.0011532700000000 ] - [ 0.0000000000000000, 0.0002621400000000, 0.0013805800000000 ] - [ 0.0000000000000000, 0.0006316400000000, 0.0011532700000000 ] - [ -0.0028448800000000, -0.0021774800000000, 0.0002954100000000 ] - [ 0.0028448800000000, -0.0021774800000000, 0.0002954100000000 ] - [ 0.0006727200000000, 0.0000000000000000, -0.0010423200000000 ] - [ -0.0005200800000000, 0.0005200800000000, 0.0000772500000000 ] - [ 0.0005200800000000, 0.0005200800000000, 0.0000772500000000 ] - [ -0.0006727200000000, 0.0000000000000000, -0.0010423200000000 ] - [ 0.0000000000000000, 0.0006727200000000, -0.0010423200000000 ] - [ 0.0000728100000000, -0.0000728100000000, -0.0022070700000000 ] - [ -0.0000728100000000, -0.0000728100000000, -0.0022070700000000 ] - [ -0.0004357900000000, -0.0004357900000000, 0.0043136600000000 ] - [ 0.0004357900000000, -0.0004357900000000, 0.0043136600000000 ] - [ 0.0004357900000000, 0.0004357900000000, 0.0043136600000000 ] - [ -0.0004357900000000, 0.0004357900000000, 0.0043136600000000 ] - [ -0.0000728100000000, 0.0000728100000000, -0.0022070700000000 ] - [ 0.0000728100000000, 0.0000728100000000, -0.0022070700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1646665900000000 ] - [ 0.0000000000000000, -0.0185317000000000, -0.0115029300000000 ] - [ 0.0000000000000000, 0.0135780700000000, -0.0134964900000000 ] - [ 0.0135780700000000, 0.0000000000000000, -0.0134964900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0144700000000000 ] - [ -0.0135780700000000, 0.0000000000000000, -0.0134964900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0061314700000000 ] - [ 0.0000000000000000, -0.0135780700000000, -0.0134964900000000 ] - [ 0.0000000000000000, 0.0185317000000000, -0.0115029300000000 ] - [ -0.0019022000000000, 0.0000000000000000, 0.0001758100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0073963000000000 ] - [ 0.0019022000000000, 0.0000000000000000, 0.0001758100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0061314700000000 ] - [ 0.0000000000000000, 0.0019016800000000, -0.0006398900000000 ] - [ 0.0000000000000000, -0.0019022000000000, 0.0001758100000000 ] - [ 0.0185317000000000, 0.0000000000000000, -0.0115029300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0073963000000000 ] - [ -0.0185317000000000, 0.0000000000000000, -0.0115029300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030694800000000 ] - [ 0.0000000000000000, 0.0019022000000000, 0.0001758100000000 ] - [ 0.0000000000000000, -0.0019016800000000, -0.0006398900000000 ] - [ -0.0019016800000000, 0.0000000000000000, -0.0006398900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029604900000000 ] - [ 0.0019016800000000, 0.0000000000000000, -0.0006398900000000 ]