# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/e17b7161-0a72-487c-9a5b-5bf88b8f5817/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 AlTlF4 / I4/mcm (140) / materials id 557233](https://mdr.nims.go.jp/datasets/e7d16ea2-ca57-4f0a-b933-e075e1415a6a) ## 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: "I4/mcm" number: 140 Hall_symbol: "-I 4 2c"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ -2.543595450000000, 2.543595450000000, 6.351872855000000 ] # a - [ 2.543595450000000, -2.543595450000000, 6.351872855000000 ] # b - [ 2.543595450000000, 2.543595450000000, -6.351872855000000 ] # c points: - symbol: Al # 1 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 26.981539 - symbol: Al # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 26.981539 - symbol: Tl # 3 coordinates: [ 0.750000000000000, 0.250000000000000, 0.500000000000000 ] mass: 204.383300 - symbol: Tl # 4 coordinates: [ 0.250000000000000, 0.750000000000000, 0.500000000000000 ] mass: 204.383300 - symbol: F # 5 coordinates: [ 0.640438860000000, 0.640438860000000, 0.000000000000000 ] mass: 18.998403 - symbol: F # 6 coordinates: [ 0.797640780000000, 0.702359220000000, 0.500000000000000 ] mass: 18.998403 - symbol: F # 7 coordinates: [ 0.859561140000000, 0.859561140000000, 0.000000000000000 ] mass: 18.998403 - symbol: F # 8 coordinates: [ 0.359561140000000, 0.359561140000000, 0.000000000000000 ] mass: 18.998403 - symbol: F # 9 coordinates: [ 0.297640780000000, 0.797640780000000, 0.095281560000000 ] mass: 18.998403 - symbol: F # 10 coordinates: [ 0.202359220000000, 0.297640780000000, 0.500000000000000 ] mass: 18.998403 - symbol: F # 11 coordinates: [ 0.702359220000000, 0.202359220000000, 0.904718440000000 ] mass: 18.998403 - symbol: F # 12 coordinates: [ 0.140438860000000, 0.140438860000000, 0.000000000000000 ] mass: 18.998403 reciprocal_lattice: # without 2pi - [ 0.000000000000000, 0.196572139645870, 0.078716940879321 ] # a* - [ 0.196572139645870, 0.000000000000000, 0.078716940879321 ] # b* - [ 0.196572139645870, 0.196572139645870, 0.000000000000000 ] # c*unit_cell: lattice: - [ 5.087190900000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.087190900000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.703745710000000 ] # c points: - symbol: Al # 1 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 2 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 2 - symbol: Al # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 26.981539 reduced_to: 2 - symbol: Tl # 5 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 204.383300 reduced_to: 5 - symbol: Tl # 6 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 204.383300 reduced_to: 6 - symbol: Tl # 7 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 204.383300 reduced_to: 5 - symbol: Tl # 8 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 204.383300 reduced_to: 6 - symbol: F # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.640438860000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 10 coordinates: [ 0.702359220000000, 0.797640780000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 10 - symbol: F # 11 coordinates: [ 0.000000000000000, 0.000000000000000, 0.859561140000000 ] mass: 18.998403 reduced_to: 11 - symbol: F # 12 coordinates: [ 0.500000000000000, 0.500000000000000, 0.859561140000000 ] mass: 18.998403 reduced_to: 12 - symbol: F # 13 coordinates: [ 0.297640780000000, 0.797640780000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 14 coordinates: [ 0.797640780000000, 0.702359220000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 14 - symbol: F # 15 coordinates: [ 0.202359220000000, 0.702359220000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 15 - symbol: F # 16 coordinates: [ 0.500000000000000, 0.500000000000000, 0.640438860000000 ] mass: 18.998403 reduced_to: 16 - symbol: F # 17 coordinates: [ 0.500000000000000, 0.500000000000000, 0.140438860000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 18 coordinates: [ 0.202359220000000, 0.297640780000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 10 - symbol: F # 19 coordinates: [ 0.500000000000000, 0.500000000000000, 0.359561140000000 ] mass: 18.998403 reduced_to: 11 - symbol: F # 20 coordinates: [ 0.000000000000000, 0.000000000000000, 0.359561140000000 ] mass: 18.998403 reduced_to: 12 - symbol: F # 21 coordinates: [ 0.797640780000000, 0.297640780000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 22 coordinates: [ 0.297640780000000, 0.202359220000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 14 - symbol: F # 23 coordinates: [ 0.702359220000000, 0.202359220000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 15 - symbol: F # 24 coordinates: [ 0.000000000000000, 0.000000000000000, 0.140438860000000 ] mass: 18.998403 reduced_to: 16supercell: lattice: - [ 10.174381800000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.174381800000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.703745710000000 ] # c points: - symbol: Al # 1 coordinates: [ 0.250000000000000, 0.250000000000000, 0.000000000000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 2 coordinates: [ 0.750000000000000, 0.250000000000000, 0.000000000000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 3 coordinates: [ 0.250000000000000, 0.750000000000000, 0.000000000000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 4 coordinates: [ 0.750000000000000, 0.750000000000000, 0.000000000000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 5 coordinates: [ 0.250000000000000, 0.250000000000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 5 - symbol: Al # 6 coordinates: [ 0.750000000000000, 0.250000000000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 5 - symbol: Al # 7 coordinates: [ 0.250000000000000, 0.750000000000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 5 - symbol: Al # 8 coordinates: [ 0.750000000000000, 0.750000000000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 5 - symbol: Al # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 10 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 11 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 12 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 26.981539 reduced_to: 5 - symbol: Al # 14 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 26.981539 reduced_to: 5 - symbol: Al # 15 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 26.981539 reduced_to: 5 - symbol: Al # 16 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 26.981539 reduced_to: 5 - symbol: Tl # 17 coordinates: [ 0.250000000000000, 0.000000000000000, 0.750000000000000 ] mass: 204.383300 reduced_to: 17 - symbol: Tl # 18 coordinates: [ 0.750000000000000, 0.000000000000000, 0.750000000000000 ] mass: 204.383300 reduced_to: 17 - symbol: Tl # 19 coordinates: [ 0.250000000000000, 0.500000000000000, 0.750000000000000 ] mass: 204.383300 reduced_to: 17 - symbol: Tl # 20 coordinates: [ 0.750000000000000, 0.500000000000000, 0.750000000000000 ] mass: 204.383300 reduced_to: 17 - symbol: Tl # 21 coordinates: [ 0.000000000000000, 0.250000000000000, 0.750000000000000 ] mass: 204.383300 reduced_to: 21 - symbol: Tl # 22 coordinates: [ 0.500000000000000, 0.250000000000000, 0.750000000000000 ] mass: 204.383300 reduced_to: 21 - symbol: Tl # 23 coordinates: [ 0.000000000000000, 0.750000000000000, 0.750000000000000 ] mass: 204.383300 reduced_to: 21 - symbol: Tl # 24 coordinates: [ 0.500000000000000, 0.750000000000000, 0.750000000000000 ] mass: 204.383300 reduced_to: 21 - symbol: Tl # 25 coordinates: [ 0.000000000000000, 0.250000000000000, 0.250000000000000 ] mass: 204.383300 reduced_to: 17 - symbol: Tl # 26 coordinates: [ 0.500000000000000, 0.250000000000000, 0.250000000000000 ] mass: 204.383300 reduced_to: 17 - symbol: Tl # 27 coordinates: [ 0.000000000000000, 0.750000000000000, 0.250000000000000 ] mass: 204.383300 reduced_to: 17 - symbol: Tl # 28 coordinates: [ 0.500000000000000, 0.750000000000000, 0.250000000000000 ] mass: 204.383300 reduced_to: 17 - symbol: Tl # 29 coordinates: [ 0.250000000000000, 0.000000000000000, 0.250000000000000 ] mass: 204.383300 reduced_to: 21 - symbol: Tl # 30 coordinates: [ 0.750000000000000, 0.000000000000000, 0.250000000000000 ] mass: 204.383300 reduced_to: 21 - symbol: Tl # 31 coordinates: [ 0.250000000000000, 0.500000000000000, 0.250000000000000 ] mass: 204.383300 reduced_to: 21 - symbol: Tl # 32 coordinates: [ 0.750000000000000, 0.500000000000000, 0.250000000000000 ] mass: 204.383300 reduced_to: 21 - symbol: F # 33 coordinates: [ 0.000000000000000, 0.000000000000000, 0.640438860000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 34 coordinates: [ 0.500000000000000, 0.000000000000000, 0.640438860000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 35 coordinates: [ 0.000000000000000, 0.500000000000000, 0.640438860000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 36 coordinates: [ 0.500000000000000, 0.500000000000000, 0.640438860000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 37 coordinates: [ 0.351179610000000, 0.398820390000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 38 coordinates: [ 0.851179610000000, 0.398820390000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 39 coordinates: [ 0.351179610000000, 0.898820390000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 40 coordinates: [ 0.851179610000000, 0.898820390000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 41 coordinates: [ 0.000000000000000, 0.000000000000000, 0.859561140000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 42 coordinates: [ 0.500000000000000, 0.000000000000000, 0.859561140000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 43 coordinates: [ 0.000000000000000, 0.500000000000000, 0.859561140000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 44 coordinates: [ 0.500000000000000, 0.500000000000000, 0.859561140000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 45 coordinates: [ 0.250000000000000, 0.250000000000000, 0.859561140000000 ] mass: 18.998403 reduced_to: 45 - symbol: F # 46 coordinates: [ 0.750000000000000, 0.250000000000000, 0.859561140000000 ] mass: 18.998403 reduced_to: 45 - symbol: F # 47 coordinates: [ 0.250000000000000, 0.750000000000000, 0.859561140000000 ] mass: 18.998403 reduced_to: 45 - symbol: F # 48 coordinates: [ 0.750000000000000, 0.750000000000000, 0.859561140000000 ] mass: 18.998403 reduced_to: 45 - symbol: F # 49 coordinates: [ 0.148820390000000, 0.398820390000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 50 coordinates: [ 0.648820390000000, 0.398820390000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 51 coordinates: [ 0.148820390000000, 0.898820390000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 52 coordinates: [ 0.648820390000000, 0.898820390000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 53 coordinates: [ 0.398820390000000, 0.351179610000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 53 - symbol: F # 54 coordinates: [ 0.898820390000000, 0.351179610000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 53 - symbol: F # 55 coordinates: [ 0.398820390000000, 0.851179610000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 53 - symbol: F # 56 coordinates: [ 0.898820390000000, 0.851179610000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 53 - symbol: F # 57 coordinates: [ 0.101179610000000, 0.351179610000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 58 coordinates: [ 0.601179610000000, 0.351179610000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 59 coordinates: [ 0.101179610000000, 0.851179610000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 60 coordinates: [ 0.601179610000000, 0.851179610000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 61 coordinates: [ 0.250000000000000, 0.250000000000000, 0.640438860000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 62 coordinates: [ 0.750000000000000, 0.250000000000000, 0.640438860000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 63 coordinates: [ 0.250000000000000, 0.750000000000000, 0.640438860000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 64 coordinates: [ 0.750000000000000, 0.750000000000000, 0.640438860000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 65 coordinates: [ 0.250000000000000, 0.250000000000000, 0.140438860000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 66 coordinates: [ 0.750000000000000, 0.250000000000000, 0.140438860000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 67 coordinates: [ 0.250000000000000, 0.750000000000000, 0.140438860000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 68 coordinates: [ 0.750000000000000, 0.750000000000000, 0.140438860000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 69 coordinates: [ 0.101179610000000, 0.148820390000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 70 coordinates: [ 0.601179610000000, 0.148820390000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 71 coordinates: [ 0.101179610000000, 0.648820390000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 72 coordinates: [ 0.601179610000000, 0.648820390000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 73 coordinates: [ 0.250000000000000, 0.250000000000000, 0.359561140000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 74 coordinates: [ 0.750000000000000, 0.250000000000000, 0.359561140000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 75 coordinates: [ 0.250000000000000, 0.750000000000000, 0.359561140000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 76 coordinates: [ 0.750000000000000, 0.750000000000000, 0.359561140000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 77 coordinates: [ 0.000000000000000, 0.000000000000000, 0.359561140000000 ] mass: 18.998403 reduced_to: 45 - symbol: F # 78 coordinates: [ 0.500000000000000, 0.000000000000000, 0.359561140000000 ] mass: 18.998403 reduced_to: 45 - symbol: F # 79 coordinates: [ 0.000000000000000, 0.500000000000000, 0.359561140000000 ] mass: 18.998403 reduced_to: 45 - symbol: F # 80 coordinates: [ 0.500000000000000, 0.500000000000000, 0.359561140000000 ] mass: 18.998403 reduced_to: 45 - symbol: F # 81 coordinates: [ 0.398820390000000, 0.148820390000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 82 coordinates: [ 0.898820390000000, 0.148820390000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 83 coordinates: [ 0.398820390000000, 0.648820390000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 84 coordinates: [ 0.898820390000000, 0.648820390000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 85 coordinates: [ 0.148820390000000, 0.101179610000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 53 - symbol: F # 86 coordinates: [ 0.648820390000000, 0.101179610000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 53 - symbol: F # 87 coordinates: [ 0.148820390000000, 0.601179610000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 53 - symbol: F # 88 coordinates: [ 0.648820390000000, 0.601179610000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 53 - symbol: F # 89 coordinates: [ 0.351179610000000, 0.101179610000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 90 coordinates: [ 0.851179610000000, 0.101179610000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 91 coordinates: [ 0.351179610000000, 0.601179610000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 92 coordinates: [ 0.851179610000000, 0.601179610000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 93 coordinates: [ 0.000000000000000, 0.000000000000000, 0.140438860000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 94 coordinates: [ 0.500000000000000, 0.000000000000000, 0.140438860000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 95 coordinates: [ 0.000000000000000, 0.500000000000000, 0.140438860000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 96 coordinates: [ 0.500000000000000, 0.500000000000000, 0.140438860000000 ] mass: 18.998403 reduced_to: 61displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.2071028000000000, 0.0000306500000000, 0.0000000000000000 ] - [ 0.0163204600000000, 0.0007081900000000, 0.0000000000000000 ] - [ -0.0092417800000000, -0.0007080700000000, 0.0000000000000000 ] - [ 0.0051796300000000, -0.0000000500000000, 0.0000000000000000 ] - [ -0.0014807800000000, -0.0000815100000000, 0.0000000000000000 ] - [ 0.0014837100000000, 0.0000708600000000, 0.0000000000000000 ] - [ -0.0009201000000000, 0.0000709600000000, 0.0000000000000000 ] - [ 0.0009256100000000, -0.0000612800000000, 0.0000000000000000 ] - [ 0.0000705600000000, 0.0002757300000000, 0.0000000000000000 ] - [ -0.0000781000000000, -0.0002785300000000, 0.0000000000000000 ] - [ -0.0000720000000000, -0.0002758100000000, 0.0000000000000000 ] - [ 0.0000643000000000, 0.0002786900000000, 0.0000000000000000 ] - [ 0.0159480500000000, 0.0159700400000000, 0.0000000000000000 ] - [ 0.0159546500000000, -0.0246326500000000, 0.0000000000000000 ] - [ 0.0159028500000000, -0.0245351800000000, 0.0000000000000000 ] - [ 0.0159097000000000, 0.0160623800000000, 0.0000000000000000 ] - [ -0.0031425700000000, 0.0000384900000000, 0.0002817300000000 ] - [ 0.0023178900000000, -0.0000151100000000, -0.0001424500000000 ] - [ -0.0031406800000000, 0.0000182100000000, -0.0002626500000000 ] - [ 0.0023169700000000, -0.0000113500000000, 0.0001380100000000 ] - [ 0.0012628900000000, 0.0003296300000000, 0.0047561000000000 ] - [ 0.0012460200000000, 0.0003307200000000, -0.0047677000000000 ] - [ 0.0000324200000000, -0.0001384200000000, 0.0010261600000000 ] - [ 0.0000267800000000, -0.0001393500000000, -0.0010276200000000 ] - [ 0.0012628900000000, 0.0003296300000000, -0.0047561000000000 ] - [ 0.0012460200000000, 0.0003307200000000, 0.0047677000000000 ] - [ 0.0000324200000000, -0.0001384200000000, -0.0010261600000000 ] - [ 0.0000267800000000, -0.0001393500000000, 0.0010276200000000 ] - [ -0.0031425700000000, 0.0000384900000000, -0.0002817300000000 ] - [ 0.0023178900000000, -0.0000151100000000, 0.0001424500000000 ] - [ -0.0031406800000000, 0.0000182100000000, 0.0002626500000000 ] - [ 0.0023169700000000, -0.0000113500000000, -0.0001380100000000 ] - [ -0.0000143800000000, -0.0003924300000000, -0.0003748800000000 ] - [ 0.0000840900000000, 0.0003802500000000, 0.0004215000000000 ] - [ 0.0000804800000000, 0.0003772900000000, -0.0004049500000000 ] - [ -0.0000107200000000, -0.0003954400000000, 0.0003883800000000 ] - [ 0.0268022800000000, 0.0225806400000000, 0.0000000000000000 ] - [ -0.0072976900000000, -0.0005915000000000, 0.0000000000000000 ] - [ 0.0044734300000000, 0.0056678300000000, 0.0000000000000000 ] - [ -0.0022898300000000, -0.0014016600000000, 0.0000000000000000 ] - [ -0.0022780800000000, -0.0023260400000000, -0.0042631900000000 ] - [ -0.0024021600000000, 0.0038850100000000, 0.0058093800000000 ] - [ -0.0024009900000000, 0.0038743900000000, -0.0058168900000000 ] - [ -0.0022658200000000, -0.0023341600000000, 0.0042440700000000 ] - [ 0.0177124000000000, -0.0000608500000000, 0.0003309600000000 ] - [ -0.0028221500000000, -0.0000885600000000, 0.0000004200000000 ] - [ 0.0015927900000000, 0.0001649800000000, -0.0000070700000000 ] - [ -0.0010382400000000, 0.0000228400000000, -0.0000060200000000 ] - [ 0.0004456900000000, -0.0000612600000000, 0.0000000000000000 ] - [ -0.0003764600000000, 0.0001291900000000, 0.0000000000000000 ] - [ 0.0003645500000000, -0.0001405100000000, 0.0000000000000000 ] - [ -0.0003023900000000, 0.0002086300000000, 0.0000000000000000 ] - [ 0.0004440600000000, 0.0000014400000000, 0.0000000000000000 ] - [ -0.0003855200000000, -0.0000722900000000, 0.0000000000000000 ] - [ 0.0003446100000000, 0.0001136100000000, 0.0000000000000000 ] - [ -0.0002756000000000, -0.0001755700000000, 0.0000000000000000 ] - [ 0.0430544000000000, -0.0166339600000000, 0.0000000000000000 ] - [ -0.0069688000000000, -0.0002046000000000, 0.0000000000000000 ] - [ 0.0013730000000000, -0.0040935300000000, 0.0000000000000000 ] - [ -0.0019711200000000, 0.0016289100000000, 0.0000000000000000 ] - [ 0.0010933400000000, 0.0000475700000000, 0.0000035600000000 ] - [ -0.0012752700000000, -0.0000290900000000, 0.0000091800000000 ] - [ 0.0004376900000000, -0.0000680100000000, 0.0000052000000000 ] - [ -0.0004466300000000, 0.0000437400000000, 0.0000077400000000 ] - [ 0.0177124000000000, -0.0000608500000000, -0.0003309600000000 ] - [ -0.0028221500000000, -0.0000885600000000, -0.0000004200000000 ] - [ 0.0015927900000000, 0.0001649800000000, 0.0000070700000000 ] - [ -0.0010382400000000, 0.0000228400000000, 0.0000060200000000 ] - [ 0.0003757900000000, 0.0000662300000000, 0.0000000000000000 ] - [ -0.0004503700000000, -0.0000045800000000, 0.0000000000000000 ] - [ 0.0002760000000000, 0.0001777600000000, 0.0000000000000000 ] - [ -0.0003400800000000, -0.0001102500000000, 0.0000000000000000 ] - [ 0.0010933400000000, 0.0000475700000000, -0.0000035600000000 ] - [ -0.0012752700000000, -0.0000290900000000, -0.0000091800000000 ] - [ 0.0004376900000000, -0.0000680100000000, -0.0000052000000000 ] - [ -0.0004466300000000, 0.0000437400000000, -0.0000077400000000 ] - [ -0.0000143800000000, -0.0003924300000000, 0.0003748800000000 ] - [ 0.0000840900000000, 0.0003802500000000, -0.0004215000000000 ] - [ 0.0000804800000000, 0.0003772900000000, 0.0004049500000000 ] - [ -0.0000107200000000, -0.0003954400000000, -0.0003883800000000 ] - [ 0.0461835200000000, -0.0189820100000000, 0.0000000000000000 ] - [ -0.0068809000000000, -0.0001159500000000, 0.0000000000000000 ] - [ 0.0014424100000000, -0.0040105900000000, 0.0000000000000000 ] - [ -0.0019061100000000, 0.0016907200000000, 0.0000000000000000 ] - [ 0.0261125900000000, 0.0210697700000000, 0.0000000000000000 ] - [ -0.0072203000000000, -0.0006432200000000, 0.0000000000000000 ] - [ 0.0045275300000000, 0.0055850300000000, 0.0000000000000000 ] - [ -0.0022224900000000, -0.0014733900000000, 0.0000000000000000 ] - [ 0.0003824200000000, -0.0001270900000000, 0.0000000000000000 ] - [ -0.0004430700000000, 0.0000647100000000, 0.0000000000000000 ] - [ 0.0003015600000000, -0.0002081300000000, 0.0000000000000000 ] - [ -0.0003692100000000, 0.0001425700000000, 0.0000000000000000 ] - [ -0.0022780800000000, -0.0023260400000000, 0.0042631900000000 ] - [ -0.0024021600000000, 0.0038850100000000, -0.0058093800000000 ] - [ -0.0024009900000000, 0.0038743900000000, 0.0058168900000000 ] - [ -0.0022658200000000, -0.0023341600000000, -0.0042440700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.2691223000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0057980900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0057980900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036864600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0092603800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0067678500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0067678500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036024300000000 ] - [ -0.0000017800000000, -0.0000015300000000, 0.0056610100000000 ] - [ 0.0000015300000000, -0.0000017800000000, 0.0056610100000000 ] - [ -0.0000015300000000, 0.0000017800000000, 0.0056610100000000 ] - [ 0.0000017800000000, 0.0000015300000000, 0.0056610100000000 ] - [ 0.0000310500000000, 0.0000251800000000, -0.0066467000000000 ] - [ -0.0000251800000000, 0.0000310500000000, -0.0066467000000000 ] - [ 0.0000251800000000, -0.0000310500000000, -0.0066467000000000 ] - [ -0.0000310500000000, -0.0000251800000000, -0.0066467000000000 ] - [ 0.0000395800000000, 0.0072074100000000, 0.0043472900000000 ] - [ -0.0000034600000000, 0.0009212400000000, 0.0000038300000000 ] - [ -0.0000395800000000, -0.0072074100000000, 0.0043472900000000 ] - [ 0.0000034600000000, -0.0009212400000000, 0.0000038300000000 ] - [ 0.0072074100000000, -0.0000395800000000, 0.0043472900000000 ] - [ -0.0072074100000000, 0.0000395800000000, 0.0043472900000000 ] - [ 0.0009212400000000, 0.0000034600000000, 0.0000038300000000 ] - [ -0.0009212400000000, -0.0000034600000000, 0.0000038300000000 ] - [ -0.0072349600000000, 0.0000399600000000, 0.0043558200000000 ] - [ 0.0072349600000000, -0.0000399600000000, 0.0043558200000000 ] - [ -0.0009226100000000, -0.0000034600000000, -0.0000032200000000 ] - [ 0.0009226100000000, 0.0000034600000000, -0.0000032200000000 ] - [ -0.0000399600000000, -0.0072349600000000, 0.0043558200000000 ] - [ 0.0000034600000000, -0.0009226100000000, -0.0000032200000000 ] - [ 0.0000399600000000, 0.0072349600000000, 0.0043558200000000 ] - [ -0.0000034600000000, 0.0009226100000000, -0.0000032200000000 ] - [ -0.0005796800000000, -0.0005949600000000, -0.0022034400000000 ] - [ 0.0005949600000000, -0.0005796800000000, -0.0022034400000000 ] - [ -0.0005949600000000, 0.0005796800000000, -0.0022034400000000 ] - [ 0.0005796800000000, 0.0005949600000000, -0.0022034400000000 ] - [ -0.0001729900000000, -0.0001792900000000, 0.0135310200000000 ] - [ -0.0000417000000000, 0.0000331100000000, 0.0014970800000000 ] - [ -0.0000335400000000, 0.0000214000000000, 0.0018988100000000 ] - [ -0.0000340500000000, 0.0000302500000000, 0.0013097400000000 ] - [ -0.0005039000000000, -0.0007096900000000, 0.0023850500000000 ] - [ 0.0007096900000000, -0.0005039000000000, 0.0023850500000000 ] - [ -0.0007096900000000, 0.0005039000000000, 0.0023850500000000 ] - [ 0.0005039000000000, 0.0007096900000000, 0.0023850500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0918321600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024876000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024876000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015117800000000 ] - [ 0.0000327500000000, 0.0000322100000000, -0.0021783400000000 ] - [ 0.0000321900000000, 0.0000315900000000, -0.0016467900000000 ] - [ 0.0000328400000000, 0.0000323700000000, -0.0018920400000000 ] - [ 0.0000314900000000, 0.0000330200000000, -0.0012183600000000 ] - [ 0.0000322100000000, -0.0000327500000000, -0.0021783400000000 ] - [ 0.0000323700000000, -0.0000328400000000, -0.0018920400000000 ] - [ 0.0000315900000000, -0.0000321900000000, -0.0016467900000000 ] - [ 0.0000330200000000, -0.0000314900000000, -0.0012183600000000 ] - [ 0.0001792900000000, -0.0001729900000000, 0.0135310200000000 ] - [ -0.0000214000000000, -0.0000335400000000, 0.0018988100000000 ] - [ -0.0000331100000000, -0.0000417000000000, 0.0014970800000000 ] - [ -0.0000302500000000, -0.0000340500000000, 0.0013097400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0046639200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029622400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029622400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014934000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0997038800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025296100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025296100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015439000000000 ] - [ -0.0000322100000000, 0.0000327500000000, -0.0021783400000000 ] - [ -0.0000323700000000, 0.0000328400000000, -0.0018920400000000 ] - [ -0.0000315900000000, 0.0000321900000000, -0.0016467900000000 ] - [ -0.0000330200000000, 0.0000314900000000, -0.0012183600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0046768700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029904500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029904500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015182100000000 ] - [ 0.0005830500000000, 0.0005982200000000, -0.0022296000000000 ] - [ -0.0005982200000000, 0.0005830500000000, -0.0022296000000000 ] - [ 0.0005982200000000, -0.0005830500000000, -0.0022296000000000 ] - [ -0.0005830500000000, -0.0005982200000000, -0.0022296000000000 ] - [ -0.0001792900000000, 0.0001729900000000, 0.0135310200000000 ] - [ 0.0000214000000000, 0.0000335400000000, 0.0018988100000000 ] - [ 0.0000331100000000, 0.0000417000000000, 0.0014970800000000 ] - [ 0.0000302500000000, 0.0000340500000000, 0.0013097400000000 ] - [ 0.0001729900000000, 0.0001792900000000, 0.0135310200000000 ] - [ 0.0000417000000000, -0.0000331100000000, 0.0014970800000000 ] - [ 0.0000335400000000, -0.0000214000000000, 0.0018988100000000 ] - [ 0.0000340500000000, -0.0000302500000000, 0.0013097400000000 ] - [ -0.0000327500000000, -0.0000322100000000, -0.0021783400000000 ] - [ -0.0000321900000000, -0.0000315900000000, -0.0016467900000000 ] - [ -0.0000328400000000, -0.0000323700000000, -0.0018920400000000 ] - [ -0.0000314900000000, -0.0000330200000000, -0.0012183600000000 ] - [ 0.0004979400000000, 0.0007064100000000, 0.0024383600000000 ] - [ -0.0007064100000000, 0.0004979400000000, 0.0024383600000000 ] - [ 0.0007064100000000, -0.0004979400000000, 0.0024383600000000 ] - [ -0.0004979400000000, -0.0007064100000000, 0.0024383600000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0031428800000000, -0.0003341800000000, 0.0000177300000000 ] - [ 0.0023170000000000, 0.0001451100000000, -0.0000000800000000 ] - [ -0.0031392200000000, -0.0003264000000000, -0.0000618100000000 ] - [ 0.0023175200000000, 0.0001330900000000, 0.0000068200000000 ] - [ -0.0031392200000000, 0.0003264000000000, 0.0000618100000000 ] - [ 0.0023175200000000, -0.0001330900000000, -0.0000068200000000 ] - [ -0.0031428800000000, 0.0003341800000000, -0.0000177300000000 ] - [ 0.0023170000000000, -0.0001451100000000, 0.0000000800000000 ] - [ 0.0012662800000000, -0.0000293200000000, 0.0071899100000000 ] - [ 0.0012413600000000, -0.0000271900000000, -0.0072520100000000 ] - [ 0.0000352900000000, 0.0000139300000000, 0.0009209800000000 ] - [ 0.0000220800000000, 0.0000127300000000, -0.0009236900000000 ] - [ 0.0012662800000000, 0.0000293200000000, -0.0071899100000000 ] - [ 0.0012413600000000, 0.0000271900000000, 0.0072520100000000 ] - [ 0.0000352900000000, -0.0000139300000000, -0.0009209800000000 ] - [ 0.0000220800000000, -0.0000127300000000, 0.0009236900000000 ] - [ -0.0185960500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0059703400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0014763800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0015318400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0025545100000000, -0.0055091600000000, -0.0000045500000000 ] - [ 0.0025465500000000, 0.0055738400000000, -0.0000046400000000 ] - [ 0.0025545100000000, 0.0055091600000000, 0.0000045500000000 ] - [ 0.0025465500000000, -0.0055738400000000, 0.0000046400000000 ] - [ 0.0000136200000000, -0.0001582500000000, 0.0000000600000000 ] - [ 0.0000103300000000, 0.0001593400000000, 0.0000001600000000 ] - [ 0.0000136200000000, 0.0001582500000000, -0.0000000600000000 ] - [ 0.0000103300000000, -0.0001593400000000, -0.0000001600000000 ] - [ -0.0006161800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005674600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002746800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002757000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001291600000000, 0.0000006600000000, -0.0009882800000000 ] - [ 0.0002907300000000, 0.0000009800000000, 0.0009340000000000 ] - [ 0.0000157000000000, -0.0000035600000000, -0.0006756900000000 ] - [ 0.0000197400000000, -0.0000033900000000, 0.0006921900000000 ] - [ 0.0003794100000000, 0.0000617100000000, -0.0000919200000000 ] - [ -0.0004209900000000, -0.0000064500000000, 0.0001144400000000 ] - [ 0.0014178600000000, 0.0011614900000000, -0.0010806300000000 ] - [ -0.0015560700000000, -0.0009393200000000, 0.0008163400000000 ] - [ 0.0001291600000000, -0.0000006600000000, 0.0009882800000000 ] - [ 0.0002907300000000, -0.0000009800000000, -0.0009340000000000 ] - [ 0.0000157000000000, 0.0000035600000000, 0.0006756900000000 ] - [ 0.0000197400000000, 0.0000033900000000, -0.0006921900000000 ] - [ 0.0015439200000000, 0.0000314300000000, -0.0000270000000000 ] - [ -0.0014310600000000, -0.0000240100000000, -0.0000077600000000 ] - [ 0.0015438900000000, 0.0000113400000000, 0.0000307500000000 ] - [ -0.0014310400000000, -0.0000180500000000, -0.0000060200000000 ] - [ 0.0004384400000000, 0.0000096300000000, -0.0000969000000000 ] - [ -0.0003522900000000, 0.0000703400000000, 0.0001155700000000 ] - [ 0.0014627200000000, -0.0010880600000000, -0.0010856700000000 ] - [ -0.0014939100000000, 0.0010114300000000, 0.0008240900000000 ] - [ 0.0003676700000000, -0.0001513300000000, 0.0001659700000000 ] - [ -0.0003178200000000, 0.0000114000000000, -0.0001882200000000 ] - [ 0.0012156500000000, 0.0011119100000000, 0.0010467100000000 ] - [ -0.0012635100000000, -0.0011014900000000, -0.0008550300000000 ] - [ 0.0002928600000000, 0.0000897900000000, 0.0001697700000000 ] - [ -0.0003808400000000, -0.0000806700000000, -0.0001894900000000 ] - [ 0.0011311000000000, -0.0011676500000000, 0.0010457300000000 ] - [ -0.0013317600000000, 0.0010419600000000, -0.0008627200000000 ] - [ 0.0015438900000000, -0.0000113400000000, -0.0000307500000000 ] - [ -0.0014310400000000, 0.0000180500000000, 0.0000060200000000 ] - [ 0.0015439200000000, -0.0000314300000000, 0.0000270000000000 ] - [ -0.0014310600000000, 0.0000240100000000, 0.0000077600000000 ] - [ 0.0004852400000000, 0.0000633800000000, 0.0000483600000000 ] - [ -0.0003997300000000, -0.0000282000000000, 0.0000023500000000 ] - [ 0.0004845300000000, 0.0000635000000000, -0.0000318600000000 ] - [ -0.0003998300000000, -0.0000262500000000, 0.0000062200000000 ] - [ 0.0011311000000000, 0.0011676500000000, -0.0010457300000000 ] - [ -0.0013317600000000, -0.0010419600000000, 0.0008627200000000 ] - [ 0.0002928600000000, -0.0000897900000000, -0.0001697700000000 ] - [ -0.0003808400000000, 0.0000806700000000, 0.0001894900000000 ] - [ 0.0004845300000000, -0.0000635000000000, 0.0000318600000000 ] - [ -0.0003998300000000, 0.0000262500000000, -0.0000062200000000 ] - [ 0.0004852400000000, -0.0000633800000000, -0.0000483600000000 ] - [ -0.0003997300000000, 0.0000282000000000, -0.0000023500000000 ] - [ -0.0000853900000000, 0.0000081200000000, -0.0007208400000000 ] - [ -0.0000811200000000, 0.0000076700000000, 0.0007110900000000 ] - [ -0.0000045600000000, -0.0000021600000000, -0.0001754700000000 ] - [ -0.0000021700000000, -0.0000019700000000, 0.0001624900000000 ] - [ 0.0012156500000000, -0.0011119100000000, -0.0010467100000000 ] - [ -0.0012635100000000, 0.0011014900000000, 0.0008550300000000 ] - [ 0.0003676700000000, 0.0001513300000000, -0.0001659700000000 ] - [ -0.0003178200000000, -0.0000114000000000, 0.0001882200000000 ] - [ 0.0014627200000000, 0.0010880600000000, 0.0010856700000000 ] - [ -0.0014939100000000, -0.0010114300000000, -0.0008240900000000 ] - [ 0.0004384400000000, -0.0000096300000000, 0.0000969000000000 ] - [ -0.0003522900000000, -0.0000703400000000, -0.0001155700000000 ] - [ 0.0014178600000000, -0.0011614900000000, 0.0010806300000000 ] - [ -0.0015560700000000, 0.0009393200000000, -0.0008163400000000 ] - [ 0.0003794100000000, -0.0000617100000000, 0.0000919200000000 ] - [ -0.0004209900000000, 0.0000064500000000, -0.0001144400000000 ] - [ -0.0000853900000000, -0.0000081200000000, 0.0007208400000000 ] - [ -0.0000811200000000, -0.0000076700000000, -0.0007110900000000 ] - [ -0.0000045600000000, 0.0000021600000000, 0.0001754700000000 ] - [ -0.0000021700000000, 0.0000019700000000, -0.0001624900000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002746000000000, 0.0047884000000000, 0.0043481700000000 ] - [ -0.0001403900000000, 0.0010291800000000, -0.0000067100000000 ] - [ -0.0002746000000000, -0.0047884000000000, 0.0043481700000000 ] - [ 0.0001403900000000, -0.0010291800000000, -0.0000067100000000 ] - [ 0.0002694500000000, -0.0047344600000000, 0.0043528000000000 ] - [ -0.0001397700000000, -0.0010254200000000, 0.0000064300000000 ] - [ -0.0002694500000000, 0.0047344600000000, 0.0043528000000000 ] - [ 0.0001397700000000, 0.0010254200000000, 0.0000064300000000 ] - [ 0.0047344600000000, -0.0002694500000000, 0.0043528000000000 ] - [ -0.0047344600000000, 0.0002694500000000, 0.0043528000000000 ] - [ 0.0010254200000000, 0.0001397700000000, 0.0000064300000000 ] - [ -0.0010254200000000, -0.0001397700000000, 0.0000064300000000 ] - [ -0.0047884000000000, -0.0002746000000000, 0.0043481700000000 ] - [ 0.0047884000000000, 0.0002746000000000, 0.0043481700000000 ] - [ -0.0010291800000000, 0.0001403900000000, -0.0000067100000000 ] - [ 0.0010291800000000, -0.0001403900000000, -0.0000067100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0103190600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021070000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021070000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003939500000000 ] - [ 0.0000046900000000, -0.0000046900000000, -0.0031476100000000 ] - [ -0.0000138500000000, -0.0000138500000000, -0.0031474500000000 ] - [ 0.0000138500000000, 0.0000138500000000, -0.0031474500000000 ] - [ -0.0000046900000000, 0.0000046900000000, -0.0031476100000000 ] - [ -0.0000017400000000, 0.0000017400000000, 0.0010058800000000 ] - [ 0.0000016200000000, 0.0000016200000000, 0.0010059000000000 ] - [ -0.0000016200000000, -0.0000016200000000, 0.0010059000000000 ] - [ 0.0000017400000000, -0.0000017400000000, 0.0010058800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019736100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008765700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008765700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004339300000000 ] - [ -0.0007414400000000, 0.0000237900000000, 0.0016822400000000 ] - [ 0.0007414400000000, -0.0000237900000000, 0.0016822400000000 ] - [ -0.0001549300000000, -0.0000175900000000, 0.0006456200000000 ] - [ 0.0001549300000000, 0.0000175900000000, 0.0006456200000000 ] - [ -0.0005919000000000, -0.0007622100000000, -0.0003703800000000 ] - [ 0.0000860100000000, -0.0000860100000000, 0.0000093200000000 ] - [ -0.0010119100000000, 0.0010119100000000, -0.0017449400000000 ] - [ 0.0007622100000000, 0.0005919000000000, -0.0003703800000000 ] - [ 0.0006917700000000, 0.0000248900000000, 0.0017114800000000 ] - [ -0.0006917700000000, -0.0000248900000000, 0.0017114800000000 ] - [ 0.0001560900000000, -0.0000176500000000, 0.0006421800000000 ] - [ -0.0001560900000000, 0.0000176500000000, 0.0006421800000000 ] - [ -0.0000248900000000, -0.0006917700000000, 0.0017114800000000 ] - [ 0.0000176500000000, -0.0001560900000000, 0.0006421800000000 ] - [ 0.0000248900000000, 0.0006917700000000, 0.0017114800000000 ] - [ -0.0000176500000000, 0.0001560900000000, 0.0006421800000000 ] - [ -0.0005254200000000, 0.0008256800000000, -0.0003754200000000 ] - [ 0.0001516900000000, 0.0001516900000000, 0.0000059400000000 ] - [ -0.0009382600000000, -0.0009382600000000, -0.0017494300000000 ] - [ 0.0008256800000000, -0.0005254200000000, -0.0003754200000000 ] - [ 0.0008215600000000, 0.0009279800000000, -0.0003591300000000 ] - [ -0.0001314000000000, 0.0001314000000000, 0.0000068200000000 ] - [ 0.0008476500000000, -0.0008476500000000, -0.0012108800000000 ] - [ -0.0009279800000000, -0.0008215600000000, -0.0003591300000000 ] - [ 0.0007575400000000, -0.0010003300000000, -0.0003542400000000 ] - [ -0.0001980400000000, -0.0001980400000000, 0.0000105200000000 ] - [ 0.0007894800000000, 0.0007894800000000, -0.0012108100000000 ] - [ -0.0010003300000000, 0.0007575400000000, -0.0003542400000000 ] - [ -0.0000237900000000, 0.0007414400000000, 0.0016822400000000 ] - [ 0.0000175900000000, 0.0001549300000000, 0.0006456200000000 ] - [ 0.0000237900000000, -0.0007414400000000, 0.0016822400000000 ] - [ -0.0000175900000000, -0.0001549300000000, 0.0006456200000000 ] - [ -0.0000565500000000, -0.0004594200000000, -0.0014852700000000 ] - [ 0.0000238000000000, -0.0001443400000000, -0.0005755400000000 ] - [ 0.0000565500000000, 0.0004594200000000, -0.0014852700000000 ] - [ -0.0000238000000000, 0.0001443400000000, -0.0005755400000000 ] - [ -0.0008476500000000, 0.0008476500000000, -0.0012108800000000 ] - [ 0.0009279800000000, 0.0008215600000000, -0.0003591300000000 ] - [ -0.0008215600000000, -0.0009279800000000, -0.0003591300000000 ] - [ 0.0001314000000000, -0.0001314000000000, 0.0000068200000000 ] - [ -0.0000556800000000, 0.0004535800000000, -0.0014950900000000 ] - [ 0.0000237200000000, 0.0001434600000000, -0.0005921800000000 ] - [ 0.0000556800000000, -0.0004535800000000, -0.0014950900000000 ] - [ -0.0000237200000000, -0.0001434600000000, -0.0005921800000000 ] - [ -0.0004535800000000, 0.0000556800000000, -0.0014950900000000 ] - [ 0.0004535800000000, -0.0000556800000000, -0.0014950900000000 ] - [ -0.0001434600000000, -0.0000237200000000, -0.0005921800000000 ] - [ 0.0001434600000000, 0.0000237200000000, -0.0005921800000000 ] - [ -0.0007894800000000, -0.0007894800000000, -0.0012108100000000 ] - [ 0.0010003300000000, -0.0007575400000000, -0.0003542400000000 ] - [ -0.0007575400000000, 0.0010003300000000, -0.0003542400000000 ] - [ 0.0001980400000000, 0.0001980400000000, 0.0000105200000000 ] - [ 0.0010119100000000, -0.0010119100000000, -0.0017449400000000 ] - [ -0.0007622100000000, -0.0005919000000000, -0.0003703800000000 ] - [ 0.0005919000000000, 0.0007622100000000, -0.0003703800000000 ] - [ -0.0000860100000000, 0.0000860100000000, 0.0000093200000000 ] - [ 0.0009382600000000, 0.0009382600000000, -0.0017494300000000 ] - [ -0.0008256800000000, 0.0005254200000000, -0.0003754200000000 ] - [ 0.0005254200000000, -0.0008256800000000, -0.0003754200000000 ] - [ -0.0001516900000000, -0.0001516900000000, 0.0000059400000000 ] - [ 0.0004594200000000, 0.0000565500000000, -0.0014852700000000 ] - [ -0.0004594200000000, -0.0000565500000000, -0.0014852700000000 ] - [ 0.0001443400000000, -0.0000238000000000, -0.0005755400000000 ] - [ -0.0001443400000000, 0.0000238000000000, -0.0005755400000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000086300000000, -0.0003835700000000, -0.0005867600000000 ] - [ 0.0000770600000000, 0.0003891000000000, 0.0005908800000000 ] - [ 0.0000862200000000, 0.0003989800000000, -0.0006018600000000 ] - [ -0.0000178700000000, -0.0003742900000000, 0.0005756500000000 ] - [ -0.0023797700000000, -0.0023195300000000, 0.0007146100000000 ] - [ -0.0022830400000000, 0.0038874300000000, -0.0004969200000000 ] - [ -0.0022595200000000, 0.0038707400000000, 0.0005046200000000 ] - [ -0.0024215400000000, -0.0023396300000000, -0.0007012300000000 ] - [ 0.0177098200000000, 0.0000604900000000, 0.0001612500000000 ] - [ -0.0028229800000000, -0.0001647500000000, 0.0000102000000000 ] - [ 0.0015932200000000, 0.0000886500000000, -0.0000002500000000 ] - [ -0.0010393500000000, -0.0000227600000000, 0.0000039300000000 ] - [ 0.0010945500000000, 0.0000474800000000, -0.0000020400000000 ] - [ -0.0012755700000000, -0.0000681000000000, -0.0000182600000000 ] - [ 0.0004373600000000, -0.0000290000000000, 0.0000021900000000 ] - [ -0.0004473200000000, 0.0000439200000000, -0.0000035200000000 ] - [ 0.0002694400000000, -0.0000203400000000, -0.0006822500000000 ] - [ 0.0001494400000000, -0.0000208000000000, 0.0007509000000000 ] - [ 0.0000219000000000, 0.0000216900000000, -0.0001544400000000 ] - [ 0.0000134600000000, 0.0000215500000000, 0.0001573400000000 ] - [ 0.0015433100000000, -0.0000028400000000, -0.0000198800000000 ] - [ -0.0014309800000000, -0.0000058500000000, 0.0000204300000000 ] - [ 0.0015439400000000, -0.0000003100000000, 0.0000288300000000 ] - [ -0.0014310900000000, 0.0000112800000000, -0.0000148500000000 ] - [ 0.0004843400000000, -0.0000056200000000, 0.0000529700000000 ] - [ -0.0003997000000000, 0.0000026400000000, -0.0000252400000000 ] - [ 0.0004852100000000, -0.0000087800000000, -0.0000593700000000 ] - [ -0.0004002100000000, 0.0000028400000000, 0.0000222600000000 ] - [ -0.0000803200000000, -0.0000644900000000, 0.0004533000000000 ] - [ -0.0000856600000000, -0.0000638100000000, -0.0004600300000000 ] - [ -0.0000030500000000, 0.0000267200000000, 0.0001427800000000 ] - [ -0.0000051000000000, 0.0000262000000000, -0.0001451400000000 ] - [ -0.0340549000000000, 0.0000000900000000, -0.0001059100000000 ] - [ 0.0021556600000000, 0.0000308400000000, -0.0000028000000000 ] - [ -0.0002696200000000, -0.0000323500000000, 0.0000040100000000 ] - [ 0.0002056600000000, -0.0000007600000000, 0.0000019800000000 ] - [ 0.0001224100000000, 0.0001435900000000, 0.0000690600000000 ] - [ -0.0001946900000000, -0.0000834500000000, -0.0000763500000000 ] - [ 0.0003047700000000, -0.0000023900000000, 0.0002492700000000 ] - [ -0.0003432400000000, 0.0000608000000000, -0.0002097500000000 ] - [ -0.0011723800000000, 0.0000101700000000, -0.0000150000000000 ] - [ 0.0037710900000000, -0.0000124500000000, 0.0000089400000000 ] - [ -0.0000781300000000, -0.0000124800000000, -0.0000110700000000 ] - [ 0.0001203800000000, -0.0000120100000000, -0.0000045600000000 ] - [ -0.0002127200000000, 0.0009528400000000, 0.0003364600000000 ] - [ -0.0001936300000000, -0.0009393600000000, -0.0003596400000000 ] - [ -0.0002019700000000, -0.0009514300000000, 0.0003526300000000 ] - [ -0.0002042700000000, 0.0009408200000000, -0.0003434900000000 ] - [ -0.0002803400000000, 0.0006841900000000, -0.0000532300000000 ] - [ 0.0004177100000000, -0.0002906500000000, 0.0000762200000000 ] - [ 0.0068831900000000, -0.0080340100000000, -0.0106214100000000 ] - [ 0.0011000900000000, 0.0000062500000000, 0.0001779200000000 ] - [ 0.0004910100000000, 0.0002475000000000, -0.0000753800000000 ] - [ -0.0007018800000000, -0.0008196200000000, 0.0000607000000000 ] - [ 0.0012111800000000, 0.0001172500000000, -0.0000708500000000 ] - [ 0.0018080600000000, 0.0070775100000000, 0.0074322000000000 ] - [ -0.0002303800000000, 0.0000866600000000, 0.0000568500000000 ] - [ 0.0001577100000000, -0.0001580000000000, -0.0000540900000000 ] - [ -0.0003183200000000, 0.0000089400000000, 0.0000982600000000 ] - [ 0.0002606900000000, -0.0000773800000000, -0.0001000800000000 ] - [ 0.0003883600000000, 0.0009429300000000, 0.0003412400000000 ] - [ 0.0003946500000000, -0.0010776300000000, -0.0004863300000000 ] - [ 0.0003890800000000, -0.0010810900000000, 0.0004885700000000 ] - [ 0.0003952500000000, 0.0009385300000000, -0.0003430100000000 ] - [ 0.0000087100000000, 0.0000704200000000, 0.0000521700000000 ] - [ -0.0000257800000000, -0.0000710400000000, -0.0000383500000000 ] - [ -0.0000277500000000, -0.0000719300000000, 0.0000551300000000 ] - [ 0.0000106200000000, 0.0000696400000000, -0.0000348100000000 ] - [ 0.0016575800000000, 0.0071357200000000, -0.0074487100000000 ] - [ 0.0011497600000000, 0.0001860500000000, 0.0000669500000000 ] - [ -0.0007717500000000, -0.0007502100000000, -0.0000604200000000 ] - [ 0.0004269600000000, 0.0003146300000000, 0.0000729100000000 ] - [ 0.0004061400000000, 0.0003356600000000, -0.0007467000000000 ] - [ 0.0004109400000000, -0.0006937300000000, 0.0010237300000000 ] - [ 0.0004084200000000, -0.0006925700000000, -0.0010332400000000 ] - [ 0.0004130800000000, 0.0003395300000000, 0.0007423300000000 ] - [ -0.0014567800000000, 0.0000008000000000, 0.0000109500000000 ] - [ 0.0004597200000000, 0.0000192300000000, -0.0000051500000000 ] - [ -0.0002785300000000, -0.0000178800000000, -0.0000064500000000 ] - [ 0.0002054100000000, 0.0000006800000000, -0.0000039900000000 ] - [ 0.0003237400000000, -0.0000052300000000, 0.0001068600000000 ] - [ -0.0002485600000000, 0.0000765500000000, -0.0000961400000000 ] - [ 0.0002242000000000, -0.0000927200000000, 0.0000567800000000 ] - [ -0.0001605800000000, 0.0001504100000000, -0.0000562300000000 ] - [ -0.0002808500000000, -0.0000050000000000, 0.0002139600000000 ] - [ 0.0003744500000000, -0.0000626100000000, -0.0002402200000000 ] - [ -0.0001318100000000, -0.0001524200000000, 0.0000775800000000 ] - [ 0.0001899300000000, 0.0000760600000000, -0.0000666100000000 ] - [ 0.0010229200000000, -0.0000559700000000, -0.0001824100000000 ] - [ 0.0068175200000000, -0.0080389400000000, 0.0104928700000000 ] - [ 0.0003490600000000, -0.0003567500000000, -0.0000781900000000 ] - [ -0.0003444400000000, 0.0006223000000000, 0.0000524200000000 ] - [ -0.0002489200000000, -0.0000225200000000, 0.0000077500000000 ] - [ 0.0002795000000000, 0.0000181900000000, 0.0000100000000000 ] - [ -0.0001211800000000, 0.0000181300000000, 0.0000056800000000 ] - [ 0.0001202100000000, -0.0000135800000000, 0.0000081100000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0003836300000000, -0.0004159500000000, -0.0022098900000000 ] - [ 0.0004159500000000, -0.0003836300000000, -0.0022098900000000 ] - [ -0.0004159500000000, 0.0003836300000000, -0.0022098900000000 ] - [ 0.0003836300000000, 0.0004159500000000, -0.0022098900000000 ] - [ 0.0058101000000000, 0.0042537900000000, 0.0024003300000000 ] - [ -0.0042537900000000, 0.0058101000000000, 0.0024003300000000 ] - [ 0.0042537900000000, -0.0058101000000000, 0.0024003300000000 ] - [ -0.0058101000000000, -0.0042537900000000, 0.0024003300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0918902900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025027000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025027000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015178700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0046786200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029710400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029710400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014999600000000 ] - [ -0.0009434100000000, 0.0000284600000000, 0.0017114400000000 ] - [ 0.0009434100000000, -0.0000284600000000, 0.0017114400000000 ] - [ -0.0006849700000000, 0.0000014800000000, 0.0006431600000000 ] - [ 0.0006849700000000, -0.0000014800000000, 0.0006431600000000 ] - [ -0.0000284600000000, -0.0009434100000000, 0.0017114400000000 ] - [ -0.0000014800000000, -0.0006849700000000, 0.0006431600000000 ] - [ 0.0000284600000000, 0.0009434100000000, 0.0017114400000000 ] - [ 0.0000014800000000, 0.0006849700000000, 0.0006431600000000 ] - [ -0.0000403600000000, 0.0007167100000000, -0.0014894800000000 ] - [ 0.0000011000000000, 0.0001683100000000, -0.0005841100000000 ] - [ 0.0000403600000000, -0.0007167100000000, -0.0014894800000000 ] - [ -0.0000011000000000, -0.0001683100000000, -0.0005841100000000 ] - [ 0.0007167100000000, 0.0000403600000000, -0.0014894800000000 ] - [ -0.0007167100000000, -0.0000403600000000, -0.0014894800000000 ] - [ 0.0001683100000000, -0.0000011000000000, -0.0005841100000000 ] - [ -0.0001683100000000, 0.0000011000000000, -0.0005841100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1447775000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025567200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025567200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011628500000000 ] - [ 0.0000583400000000, 0.0001228900000000, 0.0004839800000000 ] - [ -0.0002042500000000, 0.0000209200000000, 0.0006817700000000 ] - [ -0.0000389000000000, -0.0001140900000000, 0.0007804000000000 ] - [ -0.0004278800000000, -0.0003162400000000, 0.0009778500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0077903800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016860100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016860100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005173500000000 ] - [ 0.0003395400000000, 0.0003538300000000, 0.0006123800000000 ] - [ -0.0003538300000000, 0.0003395400000000, 0.0006123800000000 ] - [ 0.0003538300000000, -0.0003395400000000, 0.0006123800000000 ] - [ -0.0003395400000000, -0.0003538300000000, 0.0006123800000000 ] - [ 0.0000253000000000, -0.0011381900000000, -0.0006453800000000 ] - [ 0.0003669100000000, -0.0002884400000000, -0.0004862800000000 ] - [ -0.0133340500000000, 0.0107682500000000, 0.0088805200000000 ] - [ 0.0013937000000000, -0.0001596700000000, -0.0006629900000000 ] - [ -0.0002884400000000, -0.0003669100000000, -0.0004862800000000 ] - [ -0.0001596700000000, -0.0013937000000000, -0.0006629900000000 ] - [ -0.0011381900000000, -0.0000253000000000, -0.0006453800000000 ] - [ 0.0107682500000000, 0.0133340500000000, 0.0088805200000000 ] - [ 0.0001140900000000, -0.0000389000000000, 0.0007804000000000 ] - [ -0.0001228900000000, 0.0000583400000000, 0.0004839800000000 ] - [ 0.0003162400000000, -0.0004278800000000, 0.0009778500000000 ] - [ -0.0000209200000000, -0.0002042500000000, 0.0006817700000000 ] - [ -0.0004898900000000, -0.0003442700000000, -0.0024586000000000 ] - [ 0.0003442700000000, -0.0004898900000000, -0.0024586000000000 ] - [ -0.0003442700000000, 0.0004898900000000, -0.0024586000000000 ] - [ 0.0004898900000000, 0.0003442700000000, -0.0024586000000000 ] - [ -0.0000423500000000, -0.0000447800000000, 0.0010885800000000 ] - [ 0.0000447800000000, -0.0000423500000000, 0.0010885800000000 ] - [ -0.0000447800000000, 0.0000423500000000, 0.0010885800000000 ] - [ 0.0000423500000000, 0.0000447800000000, 0.0010885800000000 ] - [ -0.0107682500000000, -0.0133340500000000, 0.0088805200000000 ] - [ 0.0011381900000000, 0.0000253000000000, -0.0006453800000000 ] - [ 0.0001596700000000, 0.0013937000000000, -0.0006629900000000 ] - [ 0.0002884400000000, 0.0003669100000000, -0.0004862800000000 ] - [ -0.0010280500000000, -0.0007437800000000, 0.0011604900000000 ] - [ 0.0007437800000000, -0.0010280500000000, 0.0011604900000000 ] - [ -0.0007437800000000, 0.0010280500000000, 0.0011604900000000 ] - [ 0.0010280500000000, 0.0007437800000000, 0.0011604900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0049550600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001573700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001573700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001279200000000 ] - [ 0.0000209200000000, 0.0002042500000000, 0.0006817700000000 ] - [ -0.0003162400000000, 0.0004278800000000, 0.0009778500000000 ] - [ 0.0001228900000000, -0.0000583400000000, 0.0004839800000000 ] - [ -0.0001140900000000, 0.0000389000000000, 0.0007804000000000 ] - [ 0.0004278800000000, 0.0003162400000000, 0.0009778500000000 ] - [ 0.0000389000000000, 0.0001140900000000, 0.0007804000000000 ] - [ 0.0002042500000000, -0.0000209200000000, 0.0006817700000000 ] - [ -0.0000583400000000, -0.0001228900000000, 0.0004839800000000 ] - [ -0.0013937000000000, 0.0001596700000000, -0.0006629900000000 ] - [ 0.0133340500000000, -0.0107682500000000, 0.0088805200000000 ] - [ -0.0003669100000000, 0.0002884400000000, -0.0004862800000000 ] - [ -0.0000253000000000, 0.0011381900000000, -0.0006453800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014742100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010875700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010875700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007531800000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003808300000000, 0.0004122000000000, 0.0022172700000000 ] - [ -0.0004122000000000, 0.0003808300000000, 0.0022172700000000 ] - [ 0.0004122000000000, -0.0003808300000000, 0.0022172700000000 ] - [ -0.0003808300000000, -0.0004122000000000, 0.0022172700000000 ] - [ -0.0058160100000000, -0.0042534400000000, -0.0024160600000000 ] - [ 0.0042534400000000, -0.0058160100000000, -0.0024160600000000 ] - [ -0.0042534400000000, 0.0058160100000000, -0.0024160600000000 ] - [ 0.0058160100000000, 0.0042534400000000, -0.0024160600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0996370700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025052900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025052900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015222600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0046558100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029769200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029769200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015029200000000 ] - [ 0.0009821200000000, -0.0000286200000000, -0.0016814300000000 ] - [ -0.0009821200000000, 0.0000286200000000, -0.0016814300000000 ] - [ 0.0006834900000000, -0.0000014900000000, -0.0006439900000000 ] - [ -0.0006834900000000, 0.0000014900000000, -0.0006439900000000 ] - [ 0.0000286200000000, 0.0009821200000000, -0.0016814300000000 ] - [ 0.0000014900000000, 0.0006834900000000, -0.0006439900000000 ] - [ -0.0000286200000000, -0.0009821200000000, -0.0016814300000000 ] - [ -0.0000014900000000, -0.0006834900000000, -0.0006439900000000 ] - [ 0.0000404800000000, -0.0007197600000000, 0.0014907300000000 ] - [ -0.0000010900000000, -0.0001688700000000, 0.0005838800000000 ] - [ -0.0000404800000000, 0.0007197600000000, 0.0014907300000000 ] - [ 0.0000010900000000, 0.0001688700000000, 0.0005838800000000 ] - [ -0.0007197600000000, -0.0000404800000000, 0.0014907300000000 ] - [ 0.0007197600000000, 0.0000404800000000, 0.0014907300000000 ] - [ -0.0001688700000000, 0.0000010900000000, 0.0005838800000000 ] - [ 0.0001688700000000, -0.0000010900000000, 0.0005838800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1526459000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025649500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025649500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011757100000000 ] - [ -0.0001233500000000, -0.0000581800000000, -0.0004859300000000 ] - [ 0.0001390100000000, 0.0000446100000000, -0.0006839900000000 ] - [ -0.0000260200000000, 0.0001798200000000, -0.0007830500000000 ] - [ 0.0003546600000000, 0.0003753400000000, -0.0009758400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0075749000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017003500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017003500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005316000000000 ] - [ -0.0003419500000000, -0.0003562500000000, -0.0006322400000000 ] - [ 0.0003562500000000, -0.0003419500000000, -0.0006322400000000 ] - [ -0.0003562500000000, 0.0003419500000000, -0.0006322400000000 ] - [ 0.0003419500000000, 0.0003562500000000, -0.0006322400000000 ] - [ 0.0000406000000000, 0.0012062400000000, 0.0006469200000000 ] - [ -0.0003017500000000, 0.0003537000000000, 0.0004876900000000 ] - [ 0.0135542700000000, -0.0108136200000000, -0.0089666700000000 ] - [ -0.0013285200000000, 0.0002246600000000, 0.0006647300000000 ] - [ 0.0003537000000000, 0.0003017500000000, 0.0004876900000000 ] - [ 0.0002246600000000, 0.0013285200000000, 0.0006647300000000 ] - [ 0.0012062400000000, -0.0000406000000000, 0.0006469200000000 ] - [ -0.0108136200000000, -0.0135542700000000, -0.0089666700000000 ] - [ -0.0001798200000000, -0.0000260200000000, -0.0007830500000000 ] - [ 0.0000581800000000, -0.0001233500000000, -0.0004859300000000 ] - [ -0.0003753400000000, 0.0003546600000000, -0.0009758400000000 ] - [ -0.0000446100000000, 0.0001390100000000, -0.0006839900000000 ] - [ 0.0004870200000000, 0.0003403700000000, 0.0024790700000000 ] - [ -0.0003403700000000, 0.0004870200000000, 0.0024790700000000 ] - [ 0.0003403700000000, -0.0004870200000000, 0.0024790700000000 ] - [ -0.0004870200000000, -0.0003403700000000, 0.0024790700000000 ] - [ 0.0000431000000000, 0.0000456600000000, -0.0010744800000000 ] - [ -0.0000456600000000, 0.0000431000000000, -0.0010744800000000 ] - [ 0.0000456600000000, -0.0000431000000000, -0.0010744800000000 ] - [ -0.0000431000000000, -0.0000456600000000, -0.0010744800000000 ] - [ 0.0108136200000000, 0.0135542700000000, -0.0089666700000000 ] - [ -0.0012062400000000, 0.0000406000000000, 0.0006469200000000 ] - [ -0.0002246600000000, -0.0013285200000000, 0.0006647300000000 ] - [ -0.0003537000000000, -0.0003017500000000, 0.0004876900000000 ] - [ 0.0010305900000000, 0.0007449400000000, -0.0011775100000000 ] - [ -0.0007449400000000, 0.0010305900000000, -0.0011775100000000 ] - [ 0.0007449400000000, -0.0010305900000000, -0.0011775100000000 ] - [ -0.0010305900000000, -0.0007449400000000, -0.0011775100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0050015300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001736400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001736400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001152900000000 ] - [ 0.0000446100000000, -0.0001390100000000, -0.0006839900000000 ] - [ 0.0003753400000000, -0.0003546600000000, -0.0009758400000000 ] - [ -0.0000581800000000, 0.0001233500000000, -0.0004859300000000 ] - [ 0.0001798200000000, 0.0000260200000000, -0.0007830500000000 ] - [ -0.0003546600000000, -0.0003753400000000, -0.0009758400000000 ] - [ 0.0000260200000000, -0.0001798200000000, -0.0007830500000000 ] - [ -0.0001390100000000, -0.0000446100000000, -0.0006839900000000 ] - [ 0.0001233500000000, 0.0000581800000000, -0.0004859300000000 ] - [ 0.0013285200000000, -0.0002246600000000, 0.0006647300000000 ] - [ -0.0135542700000000, 0.0108136200000000, -0.0089666700000000 ] - [ 0.0003017500000000, -0.0003537000000000, 0.0004876900000000 ] - [ -0.0000406000000000, -0.0012062400000000, 0.0006469200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014580800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010761500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010761500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007394900000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0260443400000000, 0.0170124800000000, 0.0000000000000000 ] - [ -0.0072740500000000, 0.0040779400000000, 0.0000000000000000 ] - [ 0.0044872600000000, 0.0001621700000000, 0.0000000000000000 ] - [ -0.0022548200000000, -0.0016663400000000, 0.0000000000000000 ] - [ 0.0004129100000000, 0.0000340000000000, 0.0000000000000000 ] - [ -0.0004102300000000, 0.0001460100000000, 0.0000000000000000 ] - [ 0.0003332400000000, -0.0000384600000000, 0.0000000000000000 ] - [ -0.0003361200000000, -0.0001440000000000, 0.0000000000000000 ] - [ -0.0003084600000000, -0.0001763700000000, 0.0000000000000000 ] - [ 0.0003120300000000, -0.0000969400000000, 0.0000000000000000 ] - [ -0.0004191300000000, 0.0001749500000000, 0.0000000000000000 ] - [ 0.0004108300000000, 0.0000947500000000, 0.0000000000000000 ] - [ -0.0019429700000000, -0.0014342400000000, 0.0000000000000000 ] - [ 0.0014289600000000, -0.0006346300000000, 0.0000000000000000 ] - [ -0.0069187200000000, 0.0055971700000000, 0.0000000000000000 ] - [ 0.0461098400000000, 0.0230498400000000, 0.0000000000000000 ] - [ 0.0004074700000000, -0.0009768200000000, -0.0005609400000000 ] - [ -0.0003860500000000, -0.0000381300000000, 0.0001191800000000 ] - [ 0.0014367900000000, 0.0011272100000000, -0.0009776600000000 ] - [ -0.0015267100000000, 0.0000254000000000, 0.0007976600000000 ] - [ -0.0013016100000000, -0.0001187600000000, -0.0009616200000000 ] - [ 0.0011781200000000, 0.0011412800000000, 0.0008162700000000 ] - [ -0.0003508400000000, 0.0000449500000000, -0.0001639800000000 ] - [ 0.0003309100000000, -0.0010743900000000, 0.0007898300000000 ] - [ -0.0013016100000000, -0.0001187600000000, 0.0009616200000000 ] - [ 0.0011781200000000, 0.0011412800000000, -0.0008162700000000 ] - [ -0.0003508400000000, 0.0000449500000000, 0.0001639800000000 ] - [ 0.0003309100000000, -0.0010743900000000, -0.0007898300000000 ] - [ 0.0004074700000000, -0.0009768200000000, 0.0005609400000000 ] - [ -0.0003860500000000, -0.0000381300000000, -0.0001191800000000 ] - [ 0.0014367900000000, 0.0011272100000000, 0.0009776600000000 ] - [ -0.0015267100000000, 0.0000254000000000, -0.0007976600000000 ] - [ 0.0001563100000000, 0.0001254600000000, 0.0000965400000000 ] - [ -0.0001640300000000, 0.0000418500000000, -0.0001655500000000 ] - [ 0.0003405900000000, -0.0001184700000000, -0.0000007500000000 ] - [ -0.0003134100000000, -0.0000433200000000, -0.0003866700000000 ] - [ -0.1259512500000000, -0.0770425400000000, 0.0000000000000000 ] - [ 0.0034721600000000, 0.0006691500000000, 0.0000000000000000 ] - [ -0.0004239400000000, 0.0006697300000000, 0.0000000000000000 ] - [ 0.0004811500000000, 0.0003405700000000, 0.0000000000000000 ] - [ 0.0003841600000000, 0.0002807200000000, 0.0003277500000000 ] - [ -0.0003159000000000, 0.0001539500000000, -0.0000093900000000 ] - [ 0.0010614200000000, -0.0007812000000000, 0.0013478800000000 ] - [ 0.0068612800000000, 0.0071489400000000, -0.0135235500000000 ] - [ 0.0017681600000000, 0.0080245300000000, 0.0107746100000000 ] - [ 0.0011830100000000, -0.0006576000000000, -0.0011856700000000 ] - [ -0.0007355000000000, 0.0000248400000000, -0.0001962800000000 ] - [ 0.0004589700000000, 0.0003250500000000, -0.0003294900000000 ] - [ 0.0001051400000000, -0.0000489200000000, 0.0000000000000000 ] - [ 0.0001124500000000, -0.0000936000000000, 0.0000000000000000 ] - [ 0.0000238700000000, 0.0000937200000000, 0.0000000000000000 ] - [ 0.0000575900000000, 0.0000799900000000, 0.0000000000000000 ] - [ -0.0002839800000000, -0.0002098500000000, 0.0000000000000000 ] - [ 0.0002072200000000, -0.0000721200000000, 0.0000000000000000 ] - [ -0.0001959500000000, -0.0000719100000000, 0.0000000000000000 ] - [ 0.0002414500000000, 0.0001121500000000, 0.0000000000000000 ] - [ 0.0205822000000000, 0.0008570800000000, 0.0000000000000000 ] - [ 0.0210842500000000, -0.0069148700000000, 0.0000000000000000 ] - [ -0.0000574000000000, 0.0000310000000000, 0.0000000000000000 ] - [ -0.0000616800000000, 0.0004328600000000, 0.0000000000000000 ] - [ -0.0002831800000000, 0.0000280900000000, 0.0003524200000000 ] - [ 0.0002914100000000, -0.0001182800000000, 0.0000195600000000 ] - [ -0.0001958300000000, -0.0000328700000000, 0.0001531600000000 ] - [ 0.0001904700000000, 0.0001102600000000, -0.0000853000000000 ] - [ 0.0017681600000000, 0.0080245300000000, -0.0107746100000000 ] - [ 0.0011830100000000, -0.0006576000000000, 0.0011856700000000 ] - [ -0.0007355000000000, 0.0000248400000000, 0.0001962800000000 ] - [ 0.0004589700000000, 0.0003250500000000, 0.0003294900000000 ] - [ -0.0000070400000000, 0.0000891400000000, 0.0000000000000000 ] - [ 0.0000192600000000, 0.0000472300000000, 0.0000000000000000 ] - [ 0.0000208300000000, 0.0000468100000000, 0.0000000000000000 ] - [ -0.0000080100000000, 0.0000558600000000, 0.0000000000000000 ] - [ -0.0002831800000000, 0.0000280900000000, -0.0003524200000000 ] - [ 0.0002914100000000, -0.0001182800000000, -0.0000195600000000 ] - [ -0.0001958300000000, -0.0000328700000000, -0.0001531600000000 ] - [ 0.0001904700000000, 0.0001102600000000, 0.0000853000000000 ] - [ 0.0001563100000000, 0.0001254600000000, -0.0000965400000000 ] - [ -0.0001640300000000, 0.0000418500000000, 0.0001655500000000 ] - [ 0.0003405900000000, -0.0001184700000000, 0.0000007500000000 ] - [ -0.0003134100000000, -0.0000433200000000, 0.0003866700000000 ] - [ -0.0034400000000000, -0.0008372300000000, 0.0000000000000000 ] - [ 0.0012243700000000, -0.0000351400000000, 0.0000000000000000 ] - [ -0.0034312900000000, 0.0068191900000000, 0.0000000000000000 ] - [ 0.0012234200000000, -0.0004285400000000, 0.0000000000000000 ] - [ 0.0012792600000000, 0.0024365500000000, 0.0000000000000000 ] - [ -0.0000941200000000, -0.0011240300000000, 0.0000000000000000 ] - [ 0.0009333500000000, -0.0037627100000000, 0.0000000000000000 ] - [ 0.0025587100000000, 0.0024476700000000, 0.0000000000000000 ] - [ -0.0002991000000000, 0.0000936000000000, 0.0000000000000000 ] - [ 0.0001459700000000, -0.0000797100000000, 0.0000000000000000 ] - [ -0.0003159000000000, 0.0000486600000000, 0.0000000000000000 ] - [ 0.0001700500000000, -0.0000934800000000, 0.0000000000000000 ] - [ 0.0003841600000000, 0.0002807200000000, -0.0003277500000000 ] - [ -0.0003159000000000, 0.0001539500000000, 0.0000093900000000 ] - [ 0.0010614200000000, -0.0007812000000000, -0.0013478800000000 ] - [ 0.0068612800000000, 0.0071489400000000, 0.0135235500000000 ]- atom: 37 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0268710100000000, -0.0185744300000000, 0.0000000000000000 ] - [ 0.0072439800000000, -0.0040246600000000, 0.0000000000000000 ] - [ -0.0045134200000000, -0.0001581900000000, 0.0000000000000000 ] - [ 0.0022559200000000, 0.0016526800000000, 0.0000000000000000 ] - [ -0.0004143600000000, -0.0000335700000000, 0.0000000000000000 ] - [ 0.0004101300000000, -0.0001452800000000, 0.0000000000000000 ] - [ -0.0003341600000000, 0.0000387800000000, 0.0000000000000000 ] - [ 0.0003362900000000, 0.0001431700000000, 0.0000000000000000 ] - [ 0.0003068000000000, 0.0001757800000000, 0.0000000000000000 ] - [ -0.0003100700000000, 0.0000966900000000, 0.0000000000000000 ] - [ 0.0004162900000000, -0.0001741600000000, 0.0000000000000000 ] - [ -0.0004086600000000, -0.0000934100000000, 0.0000000000000000 ] - [ 0.0019334400000000, 0.0014404800000000, 0.0000000000000000 ] - [ -0.0013879700000000, 0.0006012500000000, 0.0000000000000000 ] - [ 0.0069309500000000, -0.0056560600000000, 0.0000000000000000 ] - [ -0.0431289100000000, -0.0206330600000000, 0.0000000000000000 ] - [ -0.0004098600000000, 0.0009742200000000, 0.0005572400000000 ] - [ 0.0003876100000000, 0.0000393700000000, -0.0001181800000000 ] - [ -0.0014427000000000, -0.0011226100000000, 0.0009721700000000 ] - [ 0.0015253700000000, -0.0000267300000000, -0.0007905600000000 ] - [ 0.0012948000000000, 0.0001221500000000, 0.0009668200000000 ] - [ -0.0011674100000000, -0.0011383800000000, -0.0008211000000000 ] - [ 0.0003479500000000, -0.0000467400000000, 0.0001655200000000 ] - [ -0.0003281900000000, 0.0010698000000000, -0.0007896700000000 ] - [ 0.0012948000000000, 0.0001221500000000, -0.0009668200000000 ] - [ -0.0011674100000000, -0.0011383800000000, 0.0008211000000000 ] - [ 0.0003479500000000, -0.0000467400000000, -0.0001655200000000 ] - [ -0.0003281900000000, 0.0010698000000000, 0.0007896700000000 ] - [ -0.0004098600000000, 0.0009742200000000, -0.0005572400000000 ] - [ 0.0003876100000000, 0.0000393700000000, 0.0001181800000000 ] - [ -0.0014427000000000, -0.0011226100000000, -0.0009721700000000 ] - [ 0.0015253700000000, -0.0000267300000000, 0.0007905600000000 ] - [ -0.0001557400000000, -0.0001252500000000, -0.0000862400000000 ] - [ 0.0001626300000000, -0.0000405900000000, 0.0001780200000000 ] - [ -0.0003384200000000, 0.0001186600000000, 0.0000129000000000 ] - [ 0.0003111400000000, 0.0000426200000000, 0.0003955000000000 ] - [ 0.1236814000000000, 0.0762314900000000, 0.0000000000000000 ] - [ -0.0035379200000000, -0.0005959400000000, 0.0000000000000000 ] - [ 0.0003614100000000, -0.0005951000000000, 0.0000000000000000 ] - [ -0.0005474500000000, -0.0002740800000000, 0.0000000000000000 ] - [ -0.0003824000000000, -0.0002811600000000, -0.0003414300000000 ] - [ 0.0003091300000000, -0.0001483100000000, 0.0000082400000000 ] - [ -0.0010613000000000, 0.0007888500000000, -0.0013730000000000 ] - [ -0.0068386200000000, -0.0070652500000000, 0.0133641900000000 ] - [ -0.0016967600000000, -0.0080476500000000, -0.0108046500000000 ] - [ -0.0011785700000000, 0.0006493400000000, 0.0011587600000000 ] - [ 0.0007383700000000, -0.0000247700000000, 0.0001873700000000 ] - [ -0.0004588300000000, -0.0003222300000000, 0.0003138800000000 ] - [ -0.0000376700000000, 0.0001150400000000, 0.0000000000000000 ] - [ -0.0000471700000000, 0.0001597100000000, 0.0000000000000000 ] - [ 0.0000436000000000, -0.0000264500000000, 0.0000000000000000 ] - [ 0.0000077800000000, -0.0000129600000000, 0.0000000000000000 ] - [ 0.0003485700000000, 0.0001434600000000, 0.0000000000000000 ] - [ -0.0001420300000000, 0.0000060200000000, 0.0000000000000000 ] - [ 0.0002614300000000, 0.0000060400000000, 0.0000000000000000 ] - [ -0.0001752000000000, -0.0001775600000000, 0.0000000000000000 ] - [ -0.0211549400000000, -0.0010147800000000, 0.0000000000000000 ] - [ -0.0206539000000000, 0.0067104100000000, 0.0000000000000000 ] - [ -0.0000067700000000, -0.0000965000000000, 0.0000000000000000 ] - [ -0.0000111700000000, -0.0004954500000000, 0.0000000000000000 ] - [ 0.0002837700000000, -0.0000276200000000, -0.0003393100000000 ] - [ -0.0002926600000000, 0.0001178000000000, -0.0000051900000000 ] - [ 0.0001956000000000, 0.0000324500000000, -0.0001412700000000 ] - [ -0.0001909900000000, -0.0001093200000000, 0.0000956400000000 ] - [ -0.0016967600000000, -0.0080476500000000, 0.0108046500000000 ] - [ -0.0011785700000000, 0.0006493400000000, -0.0011587600000000 ] - [ 0.0007383700000000, -0.0000247700000000, -0.0001873700000000 ] - [ -0.0004588300000000, -0.0003222300000000, -0.0003138800000000 ] - [ -0.0000582800000000, -0.0000226100000000, 0.0000000000000000 ] - [ -0.0000880300000000, 0.0000204500000000, 0.0000000000000000 ] - [ -0.0000864600000000, 0.0000200300000000, 0.0000000000000000 ] - [ -0.0000591300000000, 0.0000104200000000, 0.0000000000000000 ] - [ 0.0002837700000000, -0.0000276200000000, 0.0003393100000000 ] - [ -0.0002926600000000, 0.0001178000000000, 0.0000051900000000 ] - [ 0.0001956000000000, 0.0000324500000000, 0.0001412700000000 ] - [ -0.0001909900000000, -0.0001093200000000, -0.0000956400000000 ] - [ -0.0001557400000000, -0.0001252500000000, 0.0000862400000000 ] - [ 0.0001626300000000, -0.0000405900000000, -0.0001780200000000 ] - [ -0.0003384200000000, 0.0001186600000000, -0.0000129000000000 ] - [ 0.0003111400000000, 0.0000426200000000, -0.0003955000000000 ] - [ 0.0034498500000000, 0.0010333200000000, 0.0000000000000000 ] - [ -0.0011564600000000, 0.0000927700000000, 0.0000000000000000 ] - [ 0.0034595900000000, -0.0068028200000000, 0.0000000000000000 ] - [ -0.0011573700000000, 0.0005002200000000, 0.0000000000000000 ] - [ -0.0012023000000000, -0.0025060900000000, 0.0000000000000000 ] - [ 0.0001458200000000, 0.0010436500000000, 0.0000000000000000 ] - [ -0.0008807900000000, 0.0037424500000000, 0.0000000000000000 ] - [ -0.0024814400000000, -0.0024951400000000, 0.0000000000000000 ] - [ 0.0002319200000000, -0.0001591800000000, 0.0000000000000000 ] - [ -0.0002117800000000, 0.0000137200000000, 0.0000000000000000 ] - [ 0.0002482700000000, -0.0001148500000000, 0.0000000000000000 ] - [ -0.0002364400000000, 0.0000270100000000, 0.0000000000000000 ] - [ -0.0003824000000000, -0.0002811600000000, 0.0003414300000000 ] - [ 0.0003091300000000, -0.0001483100000000, -0.0000082400000000 ] - [ -0.0010613000000000, 0.0007888500000000, 0.0013730000000000 ] - [ -0.0068386200000000, -0.0070652500000000, -0.0133641900000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000603700000000, 0.0001163600000000, 0.0135222100000000 ] - [ 0.0000114700000000, -0.0000080800000000, 0.0014886600000000 ] - [ -0.0000087300000000, 0.0000049600000000, 0.0018907100000000 ] - [ 0.0000016300000000, 0.0000011800000000, 0.0013008000000000 ] - [ -0.0000006300000000, 0.0000016400000000, -0.0021715900000000 ] - [ -0.0000000600000000, 0.0000003600000000, -0.0016400200000000 ] - [ -0.0000002600000000, -0.0000015300000000, -0.0018851700000000 ] - [ -0.0000000700000000, -0.0000001900000000, -0.0012112400000000 ] - [ 0.0000001900000000, 0.0000000700000000, -0.0012112400000000 ] - [ -0.0000003600000000, 0.0000000600000000, -0.0016400200000000 ] - [ 0.0000015300000000, 0.0000002600000000, -0.0018851700000000 ] - [ -0.0000016400000000, 0.0000006300000000, -0.0021715900000000 ] - [ -0.0000011800000000, -0.0000016300000000, 0.0013008000000000 ] - [ 0.0000080800000000, -0.0000114700000000, 0.0014886600000000 ] - [ -0.0000049600000000, 0.0000087300000000, 0.0018907100000000 ] - [ -0.0001163600000000, -0.0000603700000000, 0.0135222100000000 ] - [ -0.0000953900000000, -0.0008190100000000, -0.0003744700000000 ] - [ 0.0001148600000000, -0.0001148600000000, 0.0000053000000000 ] - [ -0.0010823900000000, 0.0010823900000000, -0.0017486300000000 ] - [ 0.0008190100000000, 0.0000953900000000, -0.0003744700000000 ] - [ -0.0008572500000000, -0.0001678500000000, -0.0003588500000000 ] - [ 0.0010443800000000, -0.0010443800000000, -0.0012132900000000 ] - [ -0.0001886200000000, 0.0001886200000000, 0.0000072200000000 ] - [ 0.0001678500000000, 0.0008572500000000, -0.0003588500000000 ] - [ 0.0008605700000000, 0.0001684000000000, -0.0003565000000000 ] - [ -0.0010481100000000, 0.0010481100000000, -0.0012101500000000 ] - [ 0.0001893700000000, -0.0001893700000000, 0.0000095000000000 ] - [ -0.0001684000000000, -0.0008605700000000, -0.0003565000000000 ] - [ 0.0000938800000000, 0.0008221100000000, -0.0003727500000000 ] - [ -0.0001146000000000, 0.0001146000000000, 0.0000076000000000 ] - [ 0.0010837400000000, -0.0010837400000000, -0.0017465600000000 ] - [ -0.0008221100000000, -0.0000938800000000, -0.0003727500000000 ] - [ 0.0000675900000000, 0.0000556700000000, 0.0004901300000000 ] - [ -0.0000770700000000, 0.0001036600000000, 0.0006880100000000 ] - [ 0.0002432300000000, -0.0000564600000000, 0.0007874100000000 ] - [ -0.0002109400000000, -0.0000973500000000, 0.0009828800000000 ] - [ 0.0000061800000000, -0.0000061800000000, -0.0444048700000000 ] - [ -0.0000348600000000, 0.0000319300000000, -0.0004256800000000 ] - [ -0.0000319300000000, 0.0000348600000000, -0.0004256800000000 ] - [ -0.0000332800000000, 0.0000332800000000, -0.0003351000000000 ] - [ 0.0000769600000000, 0.0000744200000000, -0.0004902400000000 ] - [ -0.0000539500000000, 0.0000706900000000, -0.0006495600000000 ] - [ 0.0001803500000000, -0.0000614200000000, -0.0006658700000000 ] - [ -0.0104686200000000, -0.0073798900000000, 0.0088660300000000 ] - [ 0.0073798900000000, 0.0104686200000000, 0.0088660300000000 ] - [ -0.0000706900000000, 0.0000539500000000, -0.0006495600000000 ] - [ 0.0000614200000000, -0.0001803500000000, -0.0006658700000000 ] - [ -0.0000744200000000, -0.0000769600000000, -0.0004902400000000 ] - [ 0.0000327900000000, 0.0000328700000000, 0.0006358500000000 ] - [ 0.0000329800000000, 0.0000325300000000, 0.0005228900000000 ] - [ 0.0000324400000000, 0.0000336400000000, 0.0004353600000000 ] - [ 0.0000331000000000, 0.0000333300000000, 0.0003726300000000 ] - [ 0.0000329900000000, -0.0000329900000000, 0.0006299500000000 ] - [ 0.0000316400000000, -0.0000329700000000, 0.0004876600000000 ] - [ 0.0000329700000000, -0.0000316400000000, 0.0004876600000000 ] - [ 0.0000333500000000, -0.0000333500000000, 0.0003201600000000 ] - [ -0.0000056600000000, -0.0000306300000000, -0.0026974100000000 ] - [ -0.0000751700000000, -0.0000223600000000, -0.0026971800000000 ] - [ -0.0000328200000000, -0.0000335100000000, -0.0003868900000000 ] - [ -0.0000345300000000, -0.0000328100000000, -0.0003868500000000 ] - [ 0.0000973500000000, 0.0002109400000000, 0.0009828800000000 ] - [ -0.0001036600000000, 0.0000770700000000, 0.0006880100000000 ] - [ 0.0000564600000000, -0.0002432300000000, 0.0007874100000000 ] - [ -0.0000556700000000, -0.0000675900000000, 0.0004901300000000 ] - [ -0.0075027200000000, -0.0106468100000000, 0.0089863900000000 ] - [ 0.0000671000000000, -0.0000517700000000, -0.0006435100000000 ] - [ -0.0000597300000000, 0.0001799600000000, -0.0006599300000000 ] - [ 0.0000738400000000, 0.0000773900000000, -0.0004807500000000 ] - [ -0.0000337200000000, 0.0000327300000000, 0.0004604800000000 ] - [ -0.0000333200000000, 0.0000333200000000, 0.0005000300000000 ] - [ -0.0000336700000000, 0.0000336700000000, 0.0005000800000000 ] - [ -0.0000327300000000, 0.0000337200000000, 0.0004604800000000 ] - [ -0.0000971900000000, -0.0002127900000000, 0.0009678400000000 ] - [ 0.0001032100000000, -0.0000769500000000, 0.0006758900000000 ] - [ -0.0000566600000000, 0.0002463700000000, 0.0007736300000000 ] - [ 0.0000552200000000, 0.0000680700000000, 0.0004789000000000 ] - [ -0.0000680700000000, -0.0000552200000000, 0.0004789000000000 ] - [ 0.0000769500000000, -0.0001032100000000, 0.0006758900000000 ] - [ -0.0002463700000000, 0.0000566600000000, 0.0007736300000000 ] - [ 0.0002127900000000, 0.0000971900000000, 0.0009678400000000 ] - [ 0.0000223600000000, 0.0000751700000000, -0.0026971800000000 ] - [ 0.0000328100000000, 0.0000345300000000, -0.0003868500000000 ] - [ 0.0000306300000000, 0.0000056600000000, -0.0026974100000000 ] - [ 0.0000335100000000, 0.0000328200000000, -0.0003868900000000 ] - [ 0.0000355800000000, -0.0000300100000000, -0.0011980000000000 ] - [ 0.0000307500000000, -0.0000307500000000, -0.0004048600000000 ] - [ 0.0000363300000000, -0.0000363300000000, -0.0010402000000000 ] - [ 0.0000300100000000, -0.0000355800000000, -0.0011980000000000 ] - [ -0.0000325300000000, -0.0000329800000000, 0.0005228900000000 ] - [ -0.0000333300000000, -0.0000331000000000, 0.0003726300000000 ] - [ -0.0000328700000000, -0.0000327900000000, 0.0006358500000000 ] - [ -0.0000336400000000, -0.0000324400000000, 0.0004353600000000 ] - [ -0.0000773900000000, -0.0000738400000000, -0.0004807500000000 ] - [ 0.0000517700000000, -0.0000671000000000, -0.0006435100000000 ] - [ -0.0001799600000000, 0.0000597300000000, -0.0006599300000000 ] - [ 0.0106468100000000, 0.0075027200000000, 0.0089863900000000 ]