# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/26e3e8eb-f99e-4c39-83ef-66cc0f0fff98/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 TlN3 / I4/mcm (140) / materials id 870](https://mdr.nims.go.jp/datasets/5bd7b912-6ecd-4ed2-adf5-8ee298f2dd9b) ## 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, 2 ]primitive_cell: lattice: - [ -3.099547265000000, 3.099547265000000, 3.532172885000000 ] # a - [ 3.099547265000000, -3.099547265000000, 3.532172885000000 ] # b - [ 3.099547265000000, 3.099547265000000, -3.532172885000000 ] # c points: - symbol: N # 1 coordinates: [ 0.364665360000000, 0.864665360000000, 0.229330720000000 ] mass: 14.006700 - symbol: N # 2 coordinates: [ 0.864665360000000, 0.635334640000000, 0.500000000000000 ] mass: 14.006700 - symbol: N # 3 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 14.006700 - symbol: N # 4 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 14.006700 - symbol: N # 5 coordinates: [ 0.635334640000000, 0.135334640000000, 0.770669280000000 ] mass: 14.006700 - symbol: N # 6 coordinates: [ 0.135334640000000, 0.364665360000000, 0.500000000000000 ] mass: 14.006700 - symbol: Tl # 7 coordinates: [ 0.750000000000000, 0.750000000000000, 0.000000000000000 ] mass: 204.383300 - symbol: Tl # 8 coordinates: [ 0.250000000000000, 0.250000000000000, 0.000000000000000 ] mass: 204.383300 reciprocal_lattice: # without 2pi - [ 0.000000000000000, 0.161313881432294, 0.141555925001106 ] # a* - [ 0.161313881432294, 0.000000000000000, 0.141555925001106 ] # b* - [ 0.161313881432294, 0.161313881432294, 0.000000000000000 ] # c*unit_cell: lattice: - [ 6.199094530000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.199094530000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 7.064345770000000 ] # c points: - symbol: N # 1 coordinates: [ 0.364665360000000, 0.864665360000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 2 coordinates: [ 0.135334640000000, 0.364665360000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 2 - symbol: N # 3 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 3 - symbol: N # 4 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 4 - symbol: N # 5 coordinates: [ 0.135334640000000, 0.635334640000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 5 - symbol: N # 6 coordinates: [ 0.364665360000000, 0.135334640000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 6 - symbol: N # 7 coordinates: [ 0.864665360000000, 0.364665360000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 8 coordinates: [ 0.635334640000000, 0.864665360000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 2 - symbol: N # 9 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 3 - symbol: N # 10 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 4 - symbol: N # 11 coordinates: [ 0.635334640000000, 0.135334640000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 5 - symbol: N # 12 coordinates: [ 0.864665360000000, 0.635334640000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 6 - symbol: Tl # 13 coordinates: [ 0.500000000000000, 0.500000000000000, 0.250000000000000 ] mass: 204.383300 reduced_to: 13 - symbol: Tl # 14 coordinates: [ 0.500000000000000, 0.500000000000000, 0.750000000000000 ] mass: 204.383300 reduced_to: 14 - symbol: Tl # 15 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 204.383300 reduced_to: 13 - symbol: Tl # 16 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 204.383300 reduced_to: 14supercell: lattice: - [ 12.398189060000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 12.398189060000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.128691540000000 ] # c points: - symbol: N # 1 coordinates: [ 0.182332680000000, 0.432332680000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 2 coordinates: [ 0.682332680000000, 0.432332680000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 3 coordinates: [ 0.182332680000000, 0.932332680000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 4 coordinates: [ 0.682332680000000, 0.932332680000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 5 coordinates: [ 0.182332680000000, 0.432332680000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 6 coordinates: [ 0.682332680000000, 0.432332680000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 7 coordinates: [ 0.182332680000000, 0.932332680000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 8 coordinates: [ 0.682332680000000, 0.932332680000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 9 coordinates: [ 0.067667320000000, 0.182332680000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 9 - symbol: N # 10 coordinates: [ 0.567667320000000, 0.182332680000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 9 - symbol: N # 11 coordinates: [ 0.067667320000000, 0.682332680000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 9 - symbol: N # 12 coordinates: [ 0.567667320000000, 0.682332680000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 9 - symbol: N # 13 coordinates: [ 0.067667320000000, 0.182332680000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 9 - symbol: N # 14 coordinates: [ 0.567667320000000, 0.182332680000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 9 - symbol: N # 15 coordinates: [ 0.067667320000000, 0.682332680000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 9 - symbol: N # 16 coordinates: [ 0.567667320000000, 0.682332680000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 9 - symbol: N # 17 coordinates: [ 0.000000000000000, 0.250000000000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 17 - symbol: N # 18 coordinates: [ 0.500000000000000, 0.250000000000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 17 - symbol: N # 19 coordinates: [ 0.000000000000000, 0.750000000000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 17 - symbol: N # 20 coordinates: [ 0.500000000000000, 0.750000000000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 17 - symbol: N # 21 coordinates: [ 0.000000000000000, 0.250000000000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 17 - symbol: N # 22 coordinates: [ 0.500000000000000, 0.250000000000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 17 - symbol: N # 23 coordinates: [ 0.000000000000000, 0.750000000000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 17 - symbol: N # 24 coordinates: [ 0.500000000000000, 0.750000000000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 17 - symbol: N # 25 coordinates: [ 0.250000000000000, 0.000000000000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 25 - symbol: N # 26 coordinates: [ 0.750000000000000, 0.000000000000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 25 - symbol: N # 27 coordinates: [ 0.250000000000000, 0.500000000000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 25 - symbol: N # 28 coordinates: [ 0.750000000000000, 0.500000000000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 25 - symbol: N # 29 coordinates: [ 0.250000000000000, 0.000000000000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 25 - symbol: N # 30 coordinates: [ 0.750000000000000, 0.000000000000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 25 - symbol: N # 31 coordinates: [ 0.250000000000000, 0.500000000000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 25 - symbol: N # 32 coordinates: [ 0.750000000000000, 0.500000000000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 25 - symbol: N # 33 coordinates: [ 0.067667320000000, 0.317667320000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 33 - symbol: N # 34 coordinates: [ 0.567667320000000, 0.317667320000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 33 - symbol: N # 35 coordinates: [ 0.067667320000000, 0.817667320000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 33 - symbol: N # 36 coordinates: [ 0.567667320000000, 0.817667320000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 33 - symbol: N # 37 coordinates: [ 0.067667320000000, 0.317667320000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 33 - symbol: N # 38 coordinates: [ 0.567667320000000, 0.317667320000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 33 - symbol: N # 39 coordinates: [ 0.067667320000000, 0.817667320000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 33 - symbol: N # 40 coordinates: [ 0.567667320000000, 0.817667320000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 33 - symbol: N # 41 coordinates: [ 0.182332680000000, 0.067667320000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 41 - symbol: N # 42 coordinates: [ 0.682332680000000, 0.067667320000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 41 - symbol: N # 43 coordinates: [ 0.182332680000000, 0.567667320000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 41 - symbol: N # 44 coordinates: [ 0.682332680000000, 0.567667320000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 41 - symbol: N # 45 coordinates: [ 0.182332680000000, 0.067667320000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 41 - symbol: N # 46 coordinates: [ 0.682332680000000, 0.067667320000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 41 - symbol: N # 47 coordinates: [ 0.182332680000000, 0.567667320000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 41 - symbol: N # 48 coordinates: [ 0.682332680000000, 0.567667320000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 41 - symbol: N # 49 coordinates: [ 0.432332680000000, 0.182332680000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 50 coordinates: [ 0.932332680000000, 0.182332680000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 51 coordinates: [ 0.432332680000000, 0.682332680000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 52 coordinates: [ 0.932332680000000, 0.682332680000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 53 coordinates: [ 0.432332680000000, 0.182332680000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 54 coordinates: [ 0.932332680000000, 0.182332680000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 55 coordinates: [ 0.432332680000000, 0.682332680000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 56 coordinates: [ 0.932332680000000, 0.682332680000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 57 coordinates: [ 0.317667320000000, 0.432332680000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 9 - symbol: N # 58 coordinates: [ 0.817667320000000, 0.432332680000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 9 - symbol: N # 59 coordinates: [ 0.317667320000000, 0.932332680000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 9 - symbol: N # 60 coordinates: [ 0.817667320000000, 0.932332680000000, 0.000000000000000 ] mass: 14.006700 reduced_to: 9 - symbol: N # 61 coordinates: [ 0.317667320000000, 0.432332680000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 9 - symbol: N # 62 coordinates: [ 0.817667320000000, 0.432332680000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 9 - symbol: N # 63 coordinates: [ 0.317667320000000, 0.932332680000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 9 - symbol: N # 64 coordinates: [ 0.817667320000000, 0.932332680000000, 0.500000000000000 ] mass: 14.006700 reduced_to: 9 - symbol: N # 65 coordinates: [ 0.250000000000000, 0.000000000000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 17 - symbol: N # 66 coordinates: [ 0.750000000000000, 0.000000000000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 17 - symbol: N # 67 coordinates: [ 0.250000000000000, 0.500000000000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 17 - symbol: N # 68 coordinates: [ 0.750000000000000, 0.500000000000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 17 - symbol: N # 69 coordinates: [ 0.250000000000000, 0.000000000000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 17 - symbol: N # 70 coordinates: [ 0.750000000000000, 0.000000000000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 17 - symbol: N # 71 coordinates: [ 0.250000000000000, 0.500000000000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 17 - symbol: N # 72 coordinates: [ 0.750000000000000, 0.500000000000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 17 - symbol: N # 73 coordinates: [ 0.000000000000000, 0.250000000000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 25 - symbol: N # 74 coordinates: [ 0.500000000000000, 0.250000000000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 25 - symbol: N # 75 coordinates: [ 0.000000000000000, 0.750000000000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 25 - symbol: N # 76 coordinates: [ 0.500000000000000, 0.750000000000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 25 - symbol: N # 77 coordinates: [ 0.000000000000000, 0.250000000000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 25 - symbol: N # 78 coordinates: [ 0.500000000000000, 0.250000000000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 25 - symbol: N # 79 coordinates: [ 0.000000000000000, 0.750000000000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 25 - symbol: N # 80 coordinates: [ 0.500000000000000, 0.750000000000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 25 - symbol: N # 81 coordinates: [ 0.317667320000000, 0.067667320000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 33 - symbol: N # 82 coordinates: [ 0.817667320000000, 0.067667320000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 33 - symbol: N # 83 coordinates: [ 0.317667320000000, 0.567667320000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 33 - symbol: N # 84 coordinates: [ 0.817667320000000, 0.567667320000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 33 - symbol: N # 85 coordinates: [ 0.317667320000000, 0.067667320000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 33 - symbol: N # 86 coordinates: [ 0.817667320000000, 0.067667320000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 33 - symbol: N # 87 coordinates: [ 0.317667320000000, 0.567667320000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 33 - symbol: N # 88 coordinates: [ 0.817667320000000, 0.567667320000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 33 - symbol: N # 89 coordinates: [ 0.432332680000000, 0.317667320000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 41 - symbol: N # 90 coordinates: [ 0.932332680000000, 0.317667320000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 41 - symbol: N # 91 coordinates: [ 0.432332680000000, 0.817667320000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 41 - symbol: N # 92 coordinates: [ 0.932332680000000, 0.817667320000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 41 - symbol: N # 93 coordinates: [ 0.432332680000000, 0.317667320000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 41 - symbol: N # 94 coordinates: [ 0.932332680000000, 0.317667320000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 41 - symbol: N # 95 coordinates: [ 0.432332680000000, 0.817667320000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 41 - symbol: N # 96 coordinates: [ 0.932332680000000, 0.817667320000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 41 - symbol: Tl # 97 coordinates: [ 0.250000000000000, 0.250000000000000, 0.125000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 98 coordinates: [ 0.750000000000000, 0.250000000000000, 0.125000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 99 coordinates: [ 0.250000000000000, 0.750000000000000, 0.125000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 100 coordinates: [ 0.750000000000000, 0.750000000000000, 0.125000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 101 coordinates: [ 0.250000000000000, 0.250000000000000, 0.625000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 102 coordinates: [ 0.750000000000000, 0.250000000000000, 0.625000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 103 coordinates: [ 0.250000000000000, 0.750000000000000, 0.625000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 104 coordinates: [ 0.750000000000000, 0.750000000000000, 0.625000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 105 coordinates: [ 0.250000000000000, 0.250000000000000, 0.375000000000000 ] mass: 204.383300 reduced_to: 105 - symbol: Tl # 106 coordinates: [ 0.750000000000000, 0.250000000000000, 0.375000000000000 ] mass: 204.383300 reduced_to: 105 - symbol: Tl # 107 coordinates: [ 0.250000000000000, 0.750000000000000, 0.375000000000000 ] mass: 204.383300 reduced_to: 105 - symbol: Tl # 108 coordinates: [ 0.750000000000000, 0.750000000000000, 0.375000000000000 ] mass: 204.383300 reduced_to: 105 - symbol: Tl # 109 coordinates: [ 0.250000000000000, 0.250000000000000, 0.875000000000000 ] mass: 204.383300 reduced_to: 105 - symbol: Tl # 110 coordinates: [ 0.750000000000000, 0.250000000000000, 0.875000000000000 ] mass: 204.383300 reduced_to: 105 - symbol: Tl # 111 coordinates: [ 0.250000000000000, 0.750000000000000, 0.875000000000000 ] mass: 204.383300 reduced_to: 105 - symbol: Tl # 112 coordinates: [ 0.750000000000000, 0.750000000000000, 0.875000000000000 ] mass: 204.383300 reduced_to: 105 - symbol: Tl # 113 coordinates: [ 0.000000000000000, 0.000000000000000, 0.375000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 114 coordinates: [ 0.500000000000000, 0.000000000000000, 0.375000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 115 coordinates: [ 0.000000000000000, 0.500000000000000, 0.375000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 116 coordinates: [ 0.500000000000000, 0.500000000000000, 0.375000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 117 coordinates: [ 0.000000000000000, 0.000000000000000, 0.875000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 118 coordinates: [ 0.500000000000000, 0.000000000000000, 0.875000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 119 coordinates: [ 0.000000000000000, 0.500000000000000, 0.875000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 120 coordinates: [ 0.500000000000000, 0.500000000000000, 0.875000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 121 coordinates: [ 0.000000000000000, 0.000000000000000, 0.125000000000000 ] mass: 204.383300 reduced_to: 105 - symbol: Tl # 122 coordinates: [ 0.500000000000000, 0.000000000000000, 0.125000000000000 ] mass: 204.383300 reduced_to: 105 - symbol: Tl # 123 coordinates: [ 0.000000000000000, 0.500000000000000, 0.125000000000000 ] mass: 204.383300 reduced_to: 105 - symbol: Tl # 124 coordinates: [ 0.500000000000000, 0.500000000000000, 0.125000000000000 ] mass: 204.383300 reduced_to: 105 - symbol: Tl # 125 coordinates: [ 0.000000000000000, 0.000000000000000, 0.625000000000000 ] mass: 204.383300 reduced_to: 105 - symbol: Tl # 126 coordinates: [ 0.500000000000000, 0.000000000000000, 0.625000000000000 ] mass: 204.383300 reduced_to: 105 - symbol: Tl # 127 coordinates: [ 0.000000000000000, 0.500000000000000, 0.625000000000000 ] mass: 204.383300 reduced_to: 105 - symbol: Tl # 128 coordinates: [ 0.500000000000000, 0.500000000000000, 0.625000000000000 ] mass: 204.383300 reduced_to: 105displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.4566062400000000, -0.4177017500000000, 0.0000000000000000 ] - [ 0.0043923900000000, 0.0037244300000000, 0.0000000000000000 ] - [ 0.0024550000000000, 0.0037255700000000, 0.0000000000000000 ] - [ 0.0023164700000000, 0.0019750400000000, 0.0000000000000000 ] - [ 0.0013146200000000, 0.0015953000000000, 0.0000000000000000 ] - [ 0.0019931000000000, 0.0018888000000000, 0.0000000000000000 ] - [ 0.0017211600000000, 0.0018919600000000, 0.0000000000000000 ] - [ 0.0021017500000000, 0.0019421600000000, 0.0000000000000000 ] - [ -0.0021807200000000, 0.0027115700000000, 0.0000000000000000 ] - [ -0.0011516200000000, 0.0018346000000000, 0.0000000000000000 ] - [ -0.0021780600000000, 0.0001741000000000, 0.0000000000000000 ] - [ -0.0011449100000000, 0.0019727700000000, 0.0000000000000000 ] - [ -0.0020005400000000, 0.0019059600000000, 0.0000000000000000 ] - [ -0.0016756100000000, 0.0019648400000000, 0.0000000000000000 ] - [ -0.0020039000000000, 0.0015829000000000, 0.0000000000000000 ] - [ -0.0016748300000000, 0.0017465300000000, 0.0000000000000000 ] - [ -0.0015689500000000, -0.0013367200000000, 0.0001649600000000 ] - [ 0.0012247400000000, 0.0010320700000000, -0.0001264600000000 ] - [ 0.0033604800000000, 0.0030537100000000, 0.0001703700000000 ] - [ -0.0014485600000000, -0.0015128700000000, -0.0001799200000000 ] - [ -0.0015689500000000, -0.0013367200000000, -0.0001649600000000 ] - [ 0.0012247400000000, 0.0010320700000000, 0.0001264600000000 ] - [ 0.0033604800000000, 0.0030537100000000, -0.0001703700000000 ] - [ -0.0014485600000000, -0.0015128700000000, 0.0001799200000000 ] - [ 0.0025671200000000, -0.0019598500000000, -0.0002502400000000 ] - [ -0.0000778000000000, 0.0001612600000000, -0.0000088100000000 ] - [ 0.0006045400000000, -0.0008535900000000, -0.0001189000000000 ] - [ -0.0032124200000000, 0.0043443500000000, 0.0002235500000000 ] - [ 0.0025671200000000, -0.0019598500000000, 0.0002502400000000 ] - [ -0.0000778000000000, 0.0001612600000000, 0.0000088100000000 ] - [ 0.0006045400000000, -0.0008535900000000, 0.0001189000000000 ] - [ -0.0032124200000000, 0.0043443500000000, -0.0002235500000000 ] - [ -0.0013575400000000, -0.0006074600000000, 0.0004651100000000 ] - [ -0.0020113600000000, -0.0031134600000000, -0.0005116700000000 ] - [ -0.0046304300000000, -0.0031173900000000, -0.0007809900000000 ] - [ -0.0009045500000000, -0.0010396400000000, 0.0000908800000000 ] - [ -0.0013575400000000, -0.0006074600000000, -0.0004651100000000 ] - [ -0.0020113600000000, -0.0031134600000000, 0.0005116700000000 ] - [ -0.0046304300000000, -0.0031173900000000, 0.0007809900000000 ] - [ -0.0009045500000000, -0.0010396400000000, -0.0000908800000000 ] - [ 0.0004911900000000, -0.0005330500000000, 0.0003642500000000 ] - [ 0.0020444700000000, -0.0017497400000000, -0.0000157300000000 ] - [ 0.0007436400000000, -0.0019982600000000, 0.0002238900000000 ] - [ 0.0043056000000000, -0.0037492900000000, -0.0008677900000000 ] - [ 0.0004911900000000, -0.0005330500000000, -0.0003642500000000 ] - [ 0.0020444700000000, -0.0017497400000000, 0.0000157300000000 ] - [ 0.0007436400000000, -0.0019982600000000, -0.0002238900000000 ] - [ 0.0043056000000000, -0.0037492900000000, 0.0008677900000000 ] - [ 0.0006873300000000, 0.0015258200000000, 0.0003417700000000 ] - [ 0.0027244600000000, 0.0025958000000000, -0.0000831700000000 ] - [ 0.0027297900000000, 0.0025973000000000, -0.0005434900000000 ] - [ 0.0006841900000000, -0.0014391200000000, 0.0011040100000000 ] - [ 0.0006873300000000, 0.0015258200000000, -0.0003417700000000 ] - [ 0.0027244600000000, 0.0025958000000000, 0.0000831700000000 ] - [ 0.0027297900000000, 0.0025973000000000, 0.0005434900000000 ] - [ 0.0006841900000000, -0.0014391200000000, -0.0011040100000000 ] - [ -0.0023670000000000, 0.0019920800000000, -0.0000630800000000 ] - [ 0.0013270400000000, 0.0005347500000000, 0.0013403100000000 ] - [ -0.0025254300000000, 0.0037564600000000, -0.0008585600000000 ] - [ -0.0017406900000000, 0.0017515200000000, -0.0000004800000000 ] - [ -0.0023670000000000, 0.0019920800000000, 0.0000630800000000 ] - [ 0.0013270400000000, 0.0005347500000000, -0.0013403100000000 ] - [ -0.0025254300000000, 0.0037564600000000, 0.0008585600000000 ] - [ -0.0017406900000000, 0.0017515200000000, 0.0000004800000000 ] - [ -0.0026288700000000, -0.0019645900000000, 0.0000000000000000 ] - [ -0.0004518100000000, -0.0004873600000000, 0.0000000000000000 ] - [ 0.4254023800000000, 0.3643352000000000, 0.0000000000000000 ] - [ -0.0034896800000000, -0.0044642900000000, 0.0000000000000000 ] - [ -0.0000255800000000, 0.0000993500000000, 0.0000000000000000 ] - [ -0.0003060000000000, -0.0003450000000000, 0.0000000000000000 ] - [ 0.0005488100000000, 0.0006090200000000, 0.0000000000000000 ] - [ -0.0001289600000000, -0.0002697200000000, 0.0000000000000000 ] - [ 0.0017923100000000, -0.0013430000000000, 0.0000000000000000 ] - [ -0.0008399700000000, 0.0005250300000000, 0.0000000000000000 ] - [ -0.0011073400000000, -0.0002465800000000, 0.0000000000000000 ] - [ -0.0010989700000000, 0.0004379200000000, 0.0000000000000000 ] - [ 0.0002632300000000, -0.0002103900000000, 0.0000000000000000 ] - [ 0.0000209700000000, 0.0000329800000000, 0.0000000000000000 ] - [ -0.0001011700000000, -0.0000188300000000, 0.0000000000000000 ] - [ -0.0001720800000000, 0.0002230700000000, 0.0000000000000000 ] - [ -0.0006773400000000, -0.0003517600000000, 0.0000000000000000 ] - [ -0.0015588300000000, -0.0014009800000000, 0.0000000000000000 ] - [ 0.0335878500000000, 0.0636790900000000, 0.0000000000000000 ] - [ 0.0011381200000000, -0.0003632600000000, 0.0000000000000000 ] - [ -0.0018998000000000, -0.0017871800000000, 0.0000000000000000 ] - [ -0.0016500400000000, -0.0015811800000000, 0.0000000000000000 ] - [ -0.0020907400000000, -0.0022496700000000, 0.0000000000000000 ] - [ -0.0015865100000000, -0.0017893300000000, 0.0000000000000000 ] - [ 0.0016156400000000, -0.0027078700000000, 0.0000000000000000 ] - [ 0.0016051800000000, -0.0001534300000000, 0.0000000000000000 ] - [ 0.0028343700000000, -0.0018327900000000, 0.0000000000000000 ] - [ 0.0028207600000000, -0.0019729600000000, 0.0000000000000000 ] - [ 0.0017501200000000, -0.0019084900000000, 0.0000000000000000 ] - [ 0.0017475900000000, -0.0015811500000000, 0.0000000000000000 ] - [ 0.0019441000000000, -0.0019622300000000, 0.0000000000000000 ] - [ 0.0019450100000000, -0.0017475800000000, 0.0000000000000000 ] - [ 0.0019375800000000, -0.0034223100000000, -0.0023297400000000 ] - [ -0.0007011400000000, -0.0002447800000000, -0.0001061100000000 ] - [ 0.0024182900000000, -0.0040416600000000, 0.0034447600000000 ] - [ -0.0008071700000000, 0.0002519300000000, 0.0001138400000000 ] - [ 0.0002038600000000, -0.0001940500000000, 0.0001385800000000 ] - [ -0.0002577600000000, -0.0000973100000000, 0.0000936400000000 ] - [ 0.0002806300000000, 0.0001436900000000, -0.0004921500000000 ] - [ -0.0002392300000000, 0.0001524000000000, -0.0000060300000000 ] - [ 0.0019375800000000, -0.0034223100000000, 0.0023297400000000 ] - [ -0.0007011400000000, -0.0002447800000000, 0.0001061100000000 ] - [ 0.0024182900000000, -0.0040416600000000, -0.0034447600000000 ] - [ -0.0008071700000000, 0.0002519300000000, -0.0001138400000000 ] - [ 0.0002038600000000, -0.0001940500000000, -0.0001385800000000 ] - [ -0.0002577600000000, -0.0000973100000000, -0.0000936400000000 ] - [ 0.0002806300000000, 0.0001436900000000, 0.0004921500000000 ] - [ -0.0002392300000000, 0.0001524000000000, 0.0000060300000000 ] - [ 0.0002513300000000, -0.0003717000000000, 0.0001074900000000 ] - [ -0.0002756100000000, -0.0004726200000000, -0.0001904600000000 ] - [ -0.0028035300000000, 0.0008423600000000, 0.0020153000000000 ] - [ -0.0041280600000000, 0.0020563200000000, -0.0030840000000000 ] - [ 0.0001227300000000, -0.0000796300000000, -0.0000471900000000 ] - [ -0.0001129100000000, -0.0001495200000000, 0.0001651600000000 ] - [ 0.0001143700000000, 0.0001120100000000, -0.0007708000000000 ] - [ -0.0000936200000000, 0.0001117500000000, 0.0003458600000000 ] - [ 0.0002513300000000, -0.0003717000000000, -0.0001074900000000 ] - [ -0.0002756100000000, -0.0004726200000000, 0.0001904600000000 ] - [ -0.0028035300000000, 0.0008423600000000, -0.0020153000000000 ] - [ -0.0041280600000000, 0.0020563200000000, 0.0030840000000000 ] - [ 0.0001227300000000, -0.0000796300000000, 0.0000471900000000 ] - [ -0.0001129100000000, -0.0001495200000000, -0.0001651600000000 ] - [ 0.0001143700000000, 0.0001120100000000, 0.0007708000000000 ] - [ -0.0000936200000000, 0.0001117500000000, -0.0003458600000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.4417536000000000, 0.3942049000000000, 0.0000000000000000 ] - [ -0.0007563400000000, -0.0000791600000000, 0.0000000000000000 ] - [ 0.0011896500000000, -0.0000783300000000, 0.0000000000000000 ] - [ 0.0013273700000000, 0.0016681900000000, 0.0000000000000000 ] - [ 0.0023313500000000, 0.0020495200000000, 0.0000000000000000 ] - [ 0.0016432600000000, 0.0017474100000000, 0.0000000000000000 ] - [ 0.0019208700000000, 0.0017502000000000, 0.0000000000000000 ] - [ 0.0015342900000000, 0.0016940800000000, 0.0000000000000000 ] - [ -0.0014777000000000, 0.0009306600000000, 0.0000000000000000 ] - [ -0.0024980700000000, 0.0018171100000000, 0.0000000000000000 ] - [ -0.0014723900000000, 0.0034796800000000, 0.0000000000000000 ] - [ -0.0024902000000000, 0.0016601200000000, 0.0000000000000000 ] - [ -0.0016375100000000, 0.0017332200000000, 0.0000000000000000 ] - [ -0.0019704600000000, 0.0016819700000000, 0.0000000000000000 ] - [ -0.0016397200000000, 0.0020602500000000, 0.0000000000000000 ] - [ -0.0019675700000000, 0.0018947200000000, 0.0000000000000000 ] - [ 0.0015702000000000, 0.0013366100000000, -0.0001655800000000 ] - [ -0.0012323700000000, -0.0010383800000000, 0.0001272900000000 ] - [ -0.0033573700000000, -0.0030450100000000, -0.0001730500000000 ] - [ 0.0014453900000000, 0.0015083200000000, 0.0001792300000000 ] - [ 0.0015702000000000, 0.0013366100000000, 0.0001655800000000 ] - [ -0.0012323700000000, -0.0010383800000000, -0.0001272900000000 ] - [ -0.0033573700000000, -0.0030450100000000, 0.0001730500000000 ] - [ 0.0014453900000000, 0.0015083200000000, -0.0001792300000000 ] - [ -0.0025577900000000, 0.0019534600000000, 0.0002478100000000 ] - [ 0.0000799100000000, -0.0001627900000000, 0.0000090200000000 ] - [ -0.0006165700000000, 0.0008667700000000, 0.0001180800000000 ] - [ 0.0032165900000000, -0.0043528300000000, -0.0002248600000000 ] - [ -0.0025577900000000, 0.0019534600000000, -0.0002478100000000 ] - [ 0.0000799100000000, -0.0001627900000000, -0.0000090200000000 ] - [ -0.0006165700000000, 0.0008667700000000, -0.0001180800000000 ] - [ 0.0032165900000000, -0.0043528300000000, 0.0002248600000000 ] - [ -0.0022832700000000, -0.0030335500000000, -0.0004642500000000 ] - [ -0.0016228600000000, -0.0005157000000000, 0.0005156100000000 ] - [ 0.0009876100000000, -0.0005201700000000, 0.0007783000000000 ] - [ -0.0027347600000000, -0.0025981300000000, -0.0000906300000000 ] - [ -0.0022832700000000, -0.0030335500000000, 0.0004642500000000 ] - [ -0.0016228600000000, -0.0005157000000000, -0.0005156100000000 ] - [ 0.0009876100000000, -0.0005201700000000, -0.0007783000000000 ] - [ -0.0027347600000000, -0.0025981300000000, 0.0000906300000000 ] - [ 0.0031432500000000, -0.0031038200000000, -0.0003628600000000 ] - [ 0.0015958400000000, -0.0018890300000000, 0.0000159400000000 ] - [ 0.0028980700000000, -0.0016497300000000, -0.0002241300000000 ] - [ -0.0006729900000000, 0.0001139500000000, 0.0008715700000000 ] - [ 0.0031432500000000, -0.0031038200000000, 0.0003628600000000 ] - [ 0.0015958400000000, -0.0018890300000000, -0.0000159400000000 ] - [ 0.0028980700000000, -0.0016497300000000, 0.0002241300000000 ] - [ -0.0006729900000000, 0.0001139500000000, -0.0008715700000000 ] - [ 0.0029533600000000, 0.0021174000000000, -0.0003410500000000 ] - [ 0.0009137200000000, 0.0010444300000000, 0.0000838200000000 ] - [ 0.0009162900000000, 0.0010431600000000, 0.0005430700000000 ] - [ 0.0029502800000000, 0.0050727100000000, -0.0011029600000000 ] - [ 0.0029533600000000, 0.0021174000000000, 0.0003410500000000 ] - [ 0.0009137200000000, 0.0010444300000000, -0.0000838200000000 ] - [ 0.0009162900000000, 0.0010431600000000, -0.0005430700000000 ] - [ 0.0029502800000000, 0.0050727100000000, 0.0011029600000000 ] - [ -0.0012656700000000, 0.0016430200000000, 0.0000678400000000 ] - [ -0.0049710200000000, 0.0031068300000000, -0.0013399800000000 ] - [ -0.0011165700000000, -0.0001080700000000, 0.0008557500000000 ] - [ -0.0019016800000000, 0.0018908600000000, 0.0000007000000000 ] - [ -0.0012656700000000, 0.0016430200000000, -0.0000678400000000 ] - [ -0.0049710200000000, 0.0031068300000000, 0.0013399800000000 ] - [ -0.0011165700000000, -0.0001080700000000, -0.0008557500000000 ] - [ -0.0019016800000000, 0.0018908600000000, -0.0000007000000000 ] - [ 0.0026178100000000, 0.0019526000000000, 0.0000000000000000 ] - [ 0.0004488100000000, 0.0004849200000000, 0.0000000000000000 ] - [ -0.4067030000000000, -0.3384177400000000, 0.0000000000000000 ] - [ 0.0034961300000000, 0.0044681800000000, 0.0000000000000000 ] - [ 0.0000228800000000, -0.0001018500000000, 0.0000000000000000 ] - [ 0.0003068700000000, 0.0003464300000000, 0.0000000000000000 ] - [ -0.0005492700000000, -0.0006109600000000, 0.0000000000000000 ] - [ 0.0001318500000000, 0.0002724800000000, 0.0000000000000000 ] - [ -0.0017720000000000, 0.0012829000000000, 0.0000000000000000 ] - [ 0.0008449900000000, -0.0005312400000000, 0.0000000000000000 ] - [ 0.0011030700000000, 0.0002540000000000, 0.0000000000000000 ] - [ 0.0010803300000000, -0.0004212500000000, 0.0000000000000000 ] - [ -0.0002636000000000, 0.0002102900000000, 0.0000000000000000 ] - [ -0.0000193700000000, -0.0000341900000000, 0.0000000000000000 ] - [ 0.0001015000000000, 0.0000180200000000, 0.0000000000000000 ] - [ 0.0001721200000000, -0.0002228000000000, 0.0000000000000000 ] - [ -0.0029529800000000, -0.0032799300000000, 0.0000000000000000 ] - [ -0.0020822800000000, -0.0022373500000000, 0.0000000000000000 ] - [ -0.0372734300000000, -0.0660705200000000, 0.0000000000000000 ] - [ -0.0047735100000000, -0.0032916600000000, 0.0000000000000000 ] - [ -0.0017375700000000, -0.0018500800000000, 0.0000000000000000 ] - [ -0.0019910400000000, -0.0020587200000000, 0.0000000000000000 ] - [ -0.0015484500000000, -0.0013912600000000, 0.0000000000000000 ] - [ -0.0020553800000000, -0.0018525400000000, 0.0000000000000000 ] - [ 0.0020234600000000, -0.0009252300000000, 0.0000000000000000 ] - [ 0.0020142800000000, -0.0034601800000000, 0.0000000000000000 ] - [ 0.0008259000000000, -0.0018141200000000, 0.0000000000000000 ] - [ 0.0008130500000000, -0.0016610000000000, 0.0000000000000000 ] - [ 0.0018926400000000, -0.0017343500000000, 0.0000000000000000 ] - [ 0.0018910800000000, -0.0020591600000000, 0.0000000000000000 ] - [ 0.0016977500000000, -0.0016777900000000, 0.0000000000000000 ] - [ 0.0016991700000000, -0.0018967300000000, 0.0000000000000000 ] - [ -0.0019403300000000, 0.0033845000000000, 0.0023061200000000 ] - [ 0.0007001900000000, 0.0002434700000000, 0.0001020300000000 ] - [ -0.0024029300000000, 0.0040040300000000, -0.0034104200000000 ] - [ 0.0008080200000000, -0.0002524300000000, -0.0001143300000000 ] - [ -0.0002044800000000, 0.0001921200000000, -0.0001378800000000 ] - [ 0.0002584600000000, 0.0000969500000000, -0.0000928600000000 ] - [ -0.0002808300000000, -0.0001420400000000, 0.0004882500000000 ] - [ 0.0002398200000000, -0.0001521900000000, 0.0000055700000000 ] - [ -0.0019403300000000, 0.0033845000000000, -0.0023061200000000 ] - [ 0.0007001900000000, 0.0002434700000000, -0.0001020300000000 ] - [ -0.0024029300000000, 0.0040040300000000, 0.0034104200000000 ] - [ 0.0008080200000000, -0.0002524300000000, 0.0001143300000000 ] - [ -0.0002044800000000, 0.0001921200000000, 0.0001378800000000 ] - [ 0.0002584600000000, 0.0000969500000000, 0.0000928600000000 ] - [ -0.0002808300000000, -0.0001420400000000, -0.0004882500000000 ] - [ 0.0002398200000000, -0.0001521900000000, -0.0000055700000000 ] - [ -0.0002497300000000, 0.0003670500000000, -0.0001054500000000 ] - [ 0.0002734100000000, 0.0004687000000000, 0.0001905700000000 ] - [ 0.0027517700000000, -0.0008021100000000, -0.0019444300000000 ] - [ 0.0041130300000000, -0.0020454000000000, 0.0030775200000000 ] - [ -0.0001216500000000, 0.0000787500000000, 0.0000474400000000 ] - [ 0.0001126900000000, 0.0001479100000000, -0.0001649400000000 ] - [ -0.0001159900000000, -0.0001107400000000, 0.0007746400000000 ] - [ 0.0000948600000000, -0.0001107100000000, -0.0003465400000000 ] - [ -0.0002497300000000, 0.0003670500000000, 0.0001054500000000 ] - [ 0.0002734100000000, 0.0004687000000000, -0.0001905700000000 ] - [ 0.0027517700000000, -0.0008021100000000, 0.0019444300000000 ] - [ 0.0041130300000000, -0.0020454000000000, -0.0030775200000000 ] - [ -0.0001216500000000, 0.0000787500000000, -0.0000474400000000 ] - [ 0.0001126900000000, 0.0001479100000000, 0.0001649400000000 ] - [ -0.0001159900000000, -0.0001107400000000, -0.0007746400000000 ] - [ 0.0000948600000000, -0.0001107100000000, 0.0003465400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0039689900000000, 0.0039689900000000, -0.0379587200000000 ] - [ 0.0018068400000000, 0.0018122400000000, 0.0003895400000000 ] - [ 0.0018122400000000, 0.0018068400000000, 0.0003895400000000 ] - [ 0.0018202300000000, 0.0018202300000000, -0.0001227800000000 ] - [ 0.0018231000000000, 0.0018231000000000, 0.0002157300000000 ] - [ 0.0018198100000000, 0.0018200600000000, 0.0000948000000000 ] - [ 0.0018200600000000, 0.0018198100000000, 0.0000948000000000 ] - [ 0.0018162000000000, 0.0018162000000000, 0.0000637000000000 ] - [ -0.0018202900000000, 0.0018180200000000, -0.0002820400000000 ] - [ -0.0018219300000000, 0.0018181900000000, -0.0000244300000000 ] - [ -0.0018157900000000, 0.0018236100000000, -0.0002819800000000 ] - [ -0.0018227200000000, 0.0018184800000000, -0.0000243900000000 ] - [ -0.0018204900000000, 0.0018200000000000, 0.0001296000000000 ] - [ -0.0018219400000000, 0.0018207900000000, 0.0000759200000000 ] - [ -0.0018200200000000, 0.0018214800000000, 0.0001295500000000 ] - [ -0.0018215800000000, 0.0018217200000000, 0.0000758500000000 ] - [ -0.0008812800000000, -0.0008812800000000, 0.0001185800000000 ] - [ 0.0008740400000000, 0.0011294700000000, 0.0001841000000000 ] - [ 0.0011294700000000, 0.0008740400000000, 0.0001841000000000 ] - [ -0.0001796700000000, -0.0001796700000000, -0.0000096800000000 ] - [ 0.0008928600000000, 0.0008928600000000, 0.0001204900000000 ] - [ -0.0008964800000000, -0.0011505200000000, 0.0001832200000000 ] - [ -0.0011505200000000, -0.0008964800000000, 0.0001832200000000 ] - [ 0.0001947900000000, 0.0001947900000000, -0.0000112900000000 ] - [ 0.0016845500000000, -0.0012542500000000, 0.0001675200000000 ] - [ -0.0000010300000000, -0.0000010300000000, 0.0000090800000000 ] - [ 0.0000771400000000, 0.0000771400000000, -0.0001456800000000 ] - [ -0.0012542500000000, 0.0016845500000000, 0.0001675200000000 ] - [ -0.0017226000000000, 0.0012827400000000, 0.0001670800000000 ] - [ 0.0000005100000000, 0.0000005100000000, 0.0000090300000000 ] - [ -0.0000746500000000, -0.0000746500000000, -0.0001416000000000 ] - [ 0.0012827400000000, -0.0017226000000000, 0.0001670800000000 ] - [ -0.0013595500000000, -0.0013595500000000, 0.0001235400000000 ] - [ -0.0023313700000000, -0.0025896000000000, -0.0001985200000000 ] - [ -0.0025896000000000, -0.0023313700000000, -0.0001985200000000 ] - [ -0.0017338400000000, -0.0017338400000000, 0.0000300200000000 ] - [ -0.0022885400000000, -0.0022885400000000, 0.0001246500000000 ] - [ -0.0013015100000000, -0.0010276900000000, -0.0002067800000000 ] - [ -0.0010276900000000, -0.0013015100000000, -0.0002067800000000 ] - [ -0.0019140200000000, -0.0019140200000000, 0.0000310200000000 ] - [ 0.0014646100000000, -0.0004929000000000, 0.0006506300000000 ] - [ 0.0018355900000000, -0.0018211600000000, 0.0000096900000000 ] - [ 0.0015996000000000, -0.0018841300000000, 0.0002026700000000 ] - [ 0.0026781800000000, -0.0026707700000000, -0.0002813300000000 ] - [ 0.0021912900000000, -0.0031726400000000, 0.0006603200000000 ] - [ 0.0018046500000000, -0.0018207600000000, 0.0000096900000000 ] - [ 0.0020472200000000, -0.0017525700000000, 0.0002066300000000 ] - [ 0.0009389400000000, -0.0009565100000000, -0.0002917100000000 ] - [ 0.0007266000000000, 0.0014828100000000, 0.0004949500000000 ] - [ 0.0023589900000000, 0.0023589900000000, -0.0000490900000000 ] - [ 0.0019002900000000, 0.0019002900000000, -0.0000465400000000 ] - [ 0.0014828100000000, 0.0007266000000000, 0.0004949500000000 ] - [ 0.0029337600000000, 0.0021658200000000, 0.0005007100000000 ] - [ 0.0012752800000000, 0.0012752800000000, -0.0000494800000000 ] - [ 0.0017303300000000, 0.0017303300000000, -0.0000519900000000 ] - [ 0.0021658200000000, 0.0029337600000000, 0.0005007100000000 ] - [ -0.0018841300000000, 0.0015996000000000, 0.0002026700000000 ] - [ -0.0004929000000000, 0.0014646100000000, 0.0006506300000000 ] - [ -0.0026707700000000, 0.0026781800000000, -0.0002813300000000 ] - [ -0.0018211600000000, 0.0018355900000000, 0.0000096900000000 ] - [ -0.0017525700000000, 0.0020472200000000, 0.0002066300000000 ] - [ -0.0031726400000000, 0.0021912900000000, 0.0006603200000000 ] - [ -0.0009565100000000, 0.0009389400000000, -0.0002917100000000 ] - [ -0.0018207600000000, 0.0018046500000000, 0.0000096900000000 ] - [ 0.0000227200000000, 0.0000172300000000, -0.0003278100000000 ] - [ 0.0000025700000000, 0.0000025700000000, -0.0001050700000000 ] - [ -0.0021297900000000, -0.0021297900000000, 0.0658431700000000 ] - [ 0.0000172300000000, 0.0000227200000000, -0.0003278100000000 ] - [ 0.0000009900000000, 0.0000003600000000, 0.0000715900000000 ] - [ 0.0000028200000000, 0.0000028200000000, 0.0000832600000000 ] - [ -0.0000040900000000, -0.0000040900000000, 0.0000839500000000 ] - [ 0.0000003600000000, 0.0000009900000000, 0.0000715900000000 ] - [ -0.0000062300000000, -0.0000062300000000, -0.0002107000000000 ] - [ 0.0000034800000000, 0.0000004500000000, -0.0002076000000000 ] - [ 0.0000004500000000, 0.0000034800000000, -0.0002076000000000 ] - [ 0.0000015200000000, 0.0000015200000000, -0.0001105600000000 ] - [ -0.0000002600000000, -0.0000002600000000, 0.0000968300000000 ] - [ 0.0000000700000000, 0.0000001100000000, 0.0000771100000000 ] - [ 0.0000001100000000, 0.0000000700000000, 0.0000771100000000 ] - [ 0.0000000600000000, 0.0000000600000000, 0.0000818400000000 ] - [ -0.0018276100000000, -0.0018355200000000, -0.0011491000000000 ] - [ -0.0018241700000000, -0.0018241700000000, -0.0000939800000000 ] - [ -0.0018630200000000, -0.0018630200000000, -0.0319762400000000 ] - [ -0.0018355200000000, -0.0018276100000000, -0.0011491000000000 ] - [ -0.0018203600000000, -0.0018216600000000, 0.0001093100000000 ] - [ -0.0018209800000000, -0.0018209800000000, 0.0001048600000000 ] - [ -0.0018171000000000, -0.0018171000000000, 0.0000601900000000 ] - [ -0.0018216600000000, -0.0018203600000000, 0.0001093100000000 ] - [ 0.0018236100000000, -0.0018157900000000, -0.0002819800000000 ] - [ 0.0018180200000000, -0.0018202900000000, -0.0002820400000000 ] - [ 0.0018184800000000, -0.0018227200000000, -0.0000243900000000 ] - [ 0.0018181900000000, -0.0018219300000000, -0.0000244300000000 ] - [ 0.0018214800000000, -0.0018200200000000, 0.0001295500000000 ] - [ 0.0018200000000000, -0.0018204900000000, 0.0001296000000000 ] - [ 0.0018217200000000, -0.0018215800000000, 0.0000758500000000 ] - [ 0.0018207900000000, -0.0018219400000000, 0.0000759200000000 ] - [ -0.0001029500000000, -0.0005111600000000, 0.0007417800000000 ] - [ -0.0000947100000000, -0.0000912500000000, 0.0002266900000000 ] - [ 0.0002435100000000, -0.0001994100000000, 0.0003229200000000 ] - [ -0.0001152800000000, 0.0001337600000000, 0.0001788500000000 ] - [ -0.0000120900000000, 0.0000385400000000, -0.0005913900000000 ] - [ 0.0000318800000000, 0.0000612000000000, -0.0002416900000000 ] - [ -0.0000700100000000, -0.0000146700000000, -0.0001691900000000 ] - [ 0.0000504400000000, -0.0000733900000000, -0.0001688500000000 ] - [ 0.0001142600000000, 0.0005196700000000, 0.0007362400000000 ] - [ 0.0001001400000000, 0.0000913500000000, 0.0002260700000000 ] - [ -0.0002665100000000, 0.0002318100000000, 0.0003560900000000 ] - [ 0.0001219000000000, -0.0001340200000000, 0.0001802600000000 ] - [ 0.0000108700000000, -0.0000363300000000, -0.0005860300000000 ] - [ -0.0000300900000000, -0.0000611400000000, -0.0002412400000000 ] - [ 0.0000679900000000, 0.0000125500000000, -0.0001734900000000 ] - [ -0.0000489200000000, 0.0000733900000000, -0.0001701000000000 ] - [ 0.0000913500000000, 0.0001001400000000, 0.0002260700000000 ] - [ -0.0001340200000000, 0.0001219000000000, 0.0001802600000000 ] - [ 0.0005196700000000, 0.0001142600000000, 0.0007362400000000 ] - [ 0.0002318100000000, -0.0002665100000000, 0.0003560900000000 ] - [ -0.0000611400000000, -0.0000300900000000, -0.0002412400000000 ] - [ 0.0000733900000000, -0.0000489200000000, -0.0001701000000000 ] - [ -0.0000363300000000, 0.0000108700000000, -0.0005860300000000 ] - [ 0.0000125500000000, 0.0000679900000000, -0.0001734900000000 ] - [ -0.0000912500000000, -0.0000947100000000, 0.0002266900000000 ] - [ 0.0001337600000000, -0.0001152800000000, 0.0001788500000000 ] - [ -0.0005111600000000, -0.0001029500000000, 0.0007417800000000 ] - [ -0.0001994100000000, 0.0002435100000000, 0.0003229200000000 ] - [ 0.0000612000000000, 0.0000318800000000, -0.0002416900000000 ] - [ -0.0000733900000000, 0.0000504400000000, -0.0001688500000000 ] - [ 0.0000385400000000, -0.0000120900000000, -0.0005913900000000 ] - [ -0.0000146700000000, -0.0000700100000000, -0.0001691900000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002551500000000, 0.0004783600000000, -0.0008893200000000 ] - [ 0.0030338100000000, 0.0048401000000000, 0.0008750300000000 ] - [ 0.0052017100000000, 0.0028676500000000, 0.0011452100000000 ] - [ 0.0003710200000000, 0.0003074500000000, -0.0001870600000000 ] - [ 0.0002551500000000, 0.0004783600000000, 0.0008893200000000 ] - [ 0.0030338100000000, 0.0048401000000000, -0.0008750300000000 ] - [ 0.0052017100000000, 0.0028676500000000, -0.0011452100000000 ] - [ 0.0003710200000000, 0.0003074500000000, 0.0001870600000000 ] - [ -0.0012043400000000, 0.0026889200000000, -0.0000739500000000 ] - [ -0.0050270300000000, 0.0037827400000000, 0.0012622700000000 ] - [ 0.0007538800000000, -0.0025251600000000, -0.0017008000000000 ] - [ -0.0019017900000000, 0.0016575300000000, 0.0000005800000000 ] - [ -0.0012043400000000, 0.0026889200000000, 0.0000739500000000 ] - [ -0.0050270300000000, 0.0037827400000000, -0.0012622700000000 ] - [ 0.0007538800000000, -0.0025251600000000, 0.0017008000000000 ] - [ -0.0019017900000000, 0.0016575300000000, -0.0000005800000000 ] - [ -0.8571871700000000, -0.7210709700000000, 0.0000000000000000 ] - [ 0.0043036800000000, 0.0055199300000000, 0.0000000000000000 ] - [ 0.0071859500000000, 0.0055185700000000, 0.0000000000000000 ] - [ 0.0007015000000000, 0.0006498300000000, 0.0000000000000000 ] - [ -0.0009797500000000, -0.0009128400000000, 0.0000000000000000 ] - [ -0.0000858600000000, 0.0001116900000000, 0.0000000000000000 ] - [ 0.0003399500000000, 0.0001123700000000, 0.0000000000000000 ] - [ 0.0005391800000000, 0.0005074800000000, 0.0000000000000000 ] - [ 0.0012375600000000, 0.0008101300000000, 0.0000000000000000 ] - [ 0.0012787900000000, -0.0008739700000000, 0.0000000000000000 ] - [ 0.0011702200000000, -0.0007527000000000, 0.0000000000000000 ] - [ 0.0012124700000000, 0.0008156200000000, 0.0000000000000000 ] - [ -0.0000118100000000, 0.0000671700000000, 0.0000000000000000 ] - [ -0.0000055500000000, -0.0000713600000000, 0.0000000000000000 ] - [ -0.0000166300000000, -0.0000589600000000, 0.0000000000000000 ] - [ -0.0000099900000000, 0.0000608800000000, 0.0000000000000000 ] - [ 0.4235809300000000, 0.3632268000000000, 0.0000000000000000 ] - [ -0.0053075000000000, -0.0037870200000000, 0.0000000000000000 ] - [ -0.0044377900000000, -0.0062845600000000, 0.0000000000000000 ] - [ -0.0022737900000000, -0.0023035300000000, 0.0000000000000000 ] - [ -0.0012678700000000, -0.0012123800000000, 0.0000000000000000 ] - [ -0.0019482200000000, -0.0017174400000000, 0.0000000000000000 ] - [ -0.0018414600000000, -0.0020904900000000, 0.0000000000000000 ] - [ -0.0021277800000000, -0.0021645200000000, 0.0000000000000000 ] - [ 0.0036194200000000, -0.0005058500000000, 0.0000000000000000 ] - [ 0.0009573100000000, -0.0015298400000000, 0.0000000000000000 ] - [ 0.0007430200000000, -0.0023596400000000, 0.0000000000000000 ] - [ 0.0007313800000000, -0.0022483300000000, 0.0000000000000000 ] - [ 0.0020875900000000, -0.0016100000000000, 0.0000000000000000 ] - [ 0.0018376100000000, -0.0017980100000000, 0.0000000000000000 ] - [ 0.0017220600000000, -0.0018547000000000, 0.0000000000000000 ] - [ 0.0016440000000000, -0.0020401000000000, 0.0000000000000000 ] - [ -0.0016801500000000, -0.0001321000000000, 0.0000000000000000 ] - [ 0.4084930000000000, 0.3395221000000000, 0.0000000000000000 ] - [ 0.0013750500000000, 0.0013332600000000, 0.0000000000000000 ] - [ -0.0008078800000000, -0.0026469300000000, 0.0000000000000000 ] - [ 0.0016902600000000, 0.0019217600000000, 0.0000000000000000 ] - [ 0.0023668100000000, 0.0024335200000000, 0.0000000000000000 ] - [ 0.0015138300000000, 0.0014719500000000, 0.0000000000000000 ] - [ 0.0017943100000000, 0.0015494300000000, 0.0000000000000000 ] - [ -0.0026408600000000, 0.0020290800000000, 0.0000000000000000 ] - [ -0.0000557000000000, 0.0031347200000000, 0.0000000000000000 ] - [ -0.0029103400000000, 0.0013889500000000, 0.0000000000000000 ] - [ -0.0029547400000000, 0.0013044600000000, 0.0000000000000000 ] - [ -0.0017955900000000, 0.0018337100000000, 0.0000000000000000 ] - [ -0.0015591200000000, 0.0020296000000000, 0.0000000000000000 ] - [ -0.0019922300000000, 0.0015979400000000, 0.0000000000000000 ] - [ -0.0019277800000000, 0.0017908800000000, 0.0000000000000000 ] - [ -0.0031626000000000, -0.0034234200000000, 0.0001536400000000 ] - [ 0.0025036500000000, 0.0025707100000000, 0.0003563300000000 ] - [ 0.0025033000000000, 0.0025637800000000, -0.0003560500000000 ] - [ -0.0031030700000000, -0.0033646600000000, -0.0001550900000000 ] - [ -0.0031626000000000, -0.0034234200000000, -0.0001536400000000 ] - [ 0.0025036500000000, 0.0025707100000000, -0.0003563300000000 ] - [ 0.0025033000000000, 0.0025637800000000, 0.0003560500000000 ] - [ -0.0031030700000000, -0.0033646600000000, 0.0001550900000000 ] - [ 0.0001880700000000, -0.0000001000000000, 0.0000021700000000 ] - [ 0.0037720900000000, -0.0050057600000000, -0.0000029700000000 ] - [ -0.0067626900000000, 0.0050056600000000, 0.0000079300000000 ] - [ -0.0001218100000000, -0.0000001300000000, -0.0000002000000000 ] - [ 0.0001880700000000, -0.0000001000000000, -0.0000021700000000 ] - [ 0.0037720900000000, -0.0050057600000000, 0.0000029700000000 ] - [ -0.0067626900000000, 0.0050056600000000, -0.0000079300000000 ] - [ -0.0001218100000000, -0.0000001300000000, 0.0000002000000000 ] - [ -0.0005765600000000, 0.0012588300000000, -0.0008941700000000 ] - [ -0.0033962500000000, -0.0031537800000000, 0.0008863900000000 ] - [ -0.0032635100000000, -0.0033272100000000, 0.0001867800000000 ] - [ 0.0015157600000000, -0.0007976700000000, -0.0011334100000000 ] - [ -0.0005765600000000, 0.0012588300000000, 0.0008941700000000 ] - [ -0.0033962500000000, -0.0031537800000000, -0.0008863900000000 ] - [ -0.0032635100000000, -0.0033272100000000, -0.0001867800000000 ] - [ 0.0015157600000000, -0.0007976700000000, 0.0011334100000000 ] - [ -0.0014035300000000, 0.0001320700000000, -0.0012749400000000 ] - [ 0.0024251400000000, -0.0009683900000000, 0.0000780500000000 ] - [ 0.0017438500000000, -0.0019815600000000, -0.0000010500000000 ] - [ 0.0043724100000000, -0.0061734200000000, 0.0017066400000000 ] - [ -0.0014035300000000, 0.0001320700000000, 0.0012749400000000 ] - [ 0.0024251400000000, -0.0009683900000000, -0.0000780500000000 ] - [ 0.0017438500000000, -0.0019815600000000, 0.0000010500000000 ] - [ 0.0043724100000000, -0.0061734200000000, -0.0017066400000000 ] - [ 0.0090790500000000, -0.0026020000000000, 0.0060652200000000 ] - [ 0.0090086600000000, -0.0025621600000000, -0.0059659000000000 ] - [ -0.0000513400000000, 0.0009747900000000, 0.0002126700000000 ] - [ -0.0000374500000000, 0.0009734600000000, -0.0002113000000000 ] - [ 0.0000303400000000, -0.0003636100000000, -0.0006093900000000 ] - [ 0.0000376300000000, -0.0003628200000000, 0.0006020400000000 ] - [ -0.0000446500000000, 0.0003652300000000, -0.0001107600000000 ] - [ -0.0000385100000000, 0.0003670700000000, 0.0001121700000000 ] - [ 0.0000303400000000, -0.0003636100000000, 0.0006093900000000 ] - [ 0.0000376300000000, -0.0003628200000000, -0.0006020400000000 ] - [ -0.0000446500000000, 0.0003652300000000, 0.0001107600000000 ] - [ -0.0000385100000000, 0.0003670700000000, -0.0001121700000000 ] - [ 0.0090790500000000, -0.0026020000000000, -0.0060652200000000 ] - [ 0.0090086600000000, -0.0025621600000000, 0.0059659000000000 ] - [ -0.0000513400000000, 0.0009747900000000, -0.0002126700000000 ] - [ -0.0000374500000000, 0.0009734600000000, 0.0002113000000000 ] - [ -0.0002361500000000, 0.0000045900000000, -0.0008444300000000 ] - [ 0.0002390100000000, -0.0000241000000000, -0.0001487500000000 ] - [ -0.0002353700000000, 0.0000100300000000, 0.0008304800000000 ] - [ 0.0002394500000000, -0.0000192300000000, 0.0001517700000000 ] - [ -0.0032858300000000, 0.0077298900000000, 0.0057345100000000 ] - [ 0.0008540300000000, 0.0000197700000000, 0.0001062000000000 ] - [ -0.0032821200000000, 0.0076685400000000, -0.0056863300000000 ] - [ 0.0008564200000000, 0.0000302300000000, -0.0001101000000000 ] - [ -0.0032858300000000, 0.0077298900000000, -0.0057345100000000 ] - [ 0.0008540300000000, 0.0000197700000000, -0.0001062000000000 ] - [ -0.0032821200000000, 0.0076685400000000, 0.0056863300000000 ] - [ 0.0008564200000000, 0.0000302300000000, 0.0001101000000000 ] - [ -0.0002361500000000, 0.0000045900000000, 0.0008444300000000 ] - [ 0.0002390100000000, -0.0000241000000000, 0.0001487500000000 ] - [ -0.0002353700000000, 0.0000100300000000, -0.0008304800000000 ] - [ 0.0002394500000000, -0.0000192300000000, -0.0001517700000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0019823700000000, 0.0019823700000000, 0.0001205400000000 ] - [ 0.0016800300000000, 0.0019792300000000, 0.0001842400000000 ] - [ 0.0019792300000000, 0.0016800300000000, 0.0001842400000000 ] - [ 0.0016204400000000, 0.0016204400000000, -0.0000104100000000 ] - [ 0.0016648300000000, 0.0016648300000000, 0.0001187400000000 ] - [ 0.0019365600000000, 0.0016385800000000, 0.0001832700000000 ] - [ 0.0016385800000000, 0.0019365600000000, 0.0001832700000000 ] - [ 0.0019756100000000, 0.0019756100000000, -0.0000106100000000 ] - [ -0.0016921800000000, 0.0016921800000000, -0.0001438600000000 ] - [ -0.0020343800000000, 0.0015616000000000, 0.0001668800000000 ] - [ -0.0015616000000000, 0.0020343800000000, 0.0001668800000000 ] - [ -0.0017948100000000, 0.0017948100000000, 0.0000091900000000 ] - [ -0.0019261500000000, 0.0019261500000000, -0.0001434600000000 ] - [ -0.0015822100000000, 0.0020556300000000, 0.0001677000000000 ] - [ -0.0020556300000000, 0.0015822100000000, 0.0001677000000000 ] - [ -0.0018132200000000, 0.0018132200000000, 0.0000088300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1351004200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003403000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003403000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001175200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001290200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000389700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000389700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000829000000000 ] - [ 0.0000050300000000, -0.0000050300000000, 0.0000775700000000 ] - [ -0.0000022500000000, -0.0000022500000000, 0.0000775700000000 ] - [ 0.0000022500000000, 0.0000022500000000, 0.0000775700000000 ] - [ -0.0000050300000000, 0.0000050300000000, 0.0000775700000000 ] - [ 0.0000146500000000, -0.0000146500000000, 0.0000673600000000 ] - [ -0.0000002200000000, -0.0000002200000000, 0.0000673600000000 ] - [ 0.0000002200000000, 0.0000002200000000, 0.0000673600000000 ] - [ -0.0000146500000000, 0.0000146500000000, 0.0000673600000000 ] - [ -0.0033384800000000, -0.0033384800000000, 0.0658374400000000 ] - [ -0.0018053700000000, -0.0018084500000000, -0.0003279000000000 ] - [ -0.0018084500000000, -0.0018053700000000, -0.0003279000000000 ] - [ -0.0018070300000000, -0.0018070300000000, -0.0001051700000000 ] - [ -0.0018053000000000, -0.0018053000000000, 0.0000834300000000 ] - [ -0.0018107800000000, -0.0018115200000000, 0.0000715000000000 ] - [ -0.0018115200000000, -0.0018107800000000, 0.0000715000000000 ] - [ -0.0018151000000000, -0.0018151000000000, 0.0000832500000000 ] - [ 0.0018047700000000, -0.0018047700000000, -0.0002106800000000 ] - [ 0.0018088600000000, -0.0018114200000000, -0.0002076800000000 ] - [ 0.0018114200000000, -0.0018088600000000, -0.0002076800000000 ] - [ 0.0018013800000000, -0.0018013800000000, -0.0001105600000000 ] - [ 0.0017992500000000, -0.0017992500000000, 0.0000967300000000 ] - [ 0.0018097900000000, -0.0018099800000000, 0.0000770100000000 ] - [ 0.0018099800000000, -0.0018097900000000, 0.0000770100000000 ] - [ 0.0018151600000000, -0.0018151600000000, 0.0000818400000000 ] - [ 0.0018053700000000, 0.0018084500000000, -0.0003279000000000 ] - [ 0.0033384800000000, 0.0033384800000000, 0.0658374400000000 ] - [ 0.0018070300000000, 0.0018070300000000, -0.0001051700000000 ] - [ 0.0018084500000000, 0.0018053700000000, -0.0003279000000000 ] - [ 0.0018107800000000, 0.0018115200000000, 0.0000715000000000 ] - [ 0.0018053000000000, 0.0018053000000000, 0.0000834300000000 ] - [ 0.0018151000000000, 0.0018151000000000, 0.0000832500000000 ] - [ 0.0018115200000000, 0.0018107800000000, 0.0000715000000000 ] - [ -0.0018088600000000, 0.0018114200000000, -0.0002076800000000 ] - [ -0.0018047700000000, 0.0018047700000000, -0.0002106800000000 ] - [ -0.0018013800000000, 0.0018013800000000, -0.0001105600000000 ] - [ -0.0018114200000000, 0.0018088600000000, -0.0002076800000000 ] - [ -0.0018097900000000, 0.0018099800000000, 0.0000770100000000 ] - [ -0.0017992500000000, 0.0017992500000000, 0.0000967300000000 ] - [ -0.0018151600000000, 0.0018151600000000, 0.0000818400000000 ] - [ -0.0018099800000000, 0.0018097900000000, 0.0000770100000000 ] - [ 0.0001548100000000, -0.0001548100000000, 0.0001933300000000 ] - [ 0.0003699600000000, 0.0003699600000000, 0.0000111300000000 ] - [ -0.0003699600000000, -0.0003699600000000, 0.0000111300000000 ] - [ -0.0001548100000000, 0.0001548100000000, 0.0001933300000000 ] - [ -0.0001539800000000, 0.0001539800000000, 0.0001930000000000 ] - [ -0.0003271900000000, -0.0003271900000000, 0.0000103400000000 ] - [ 0.0003271900000000, 0.0003271900000000, 0.0000103400000000 ] - [ 0.0001539800000000, -0.0001539800000000, 0.0001930000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001037100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001916700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001916700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000081300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000948300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001912800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001912800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000079300000000 ] - [ -0.0016800300000000, -0.0019792300000000, 0.0001842400000000 ] - [ -0.0019823700000000, -0.0019823700000000, 0.0001205400000000 ] - [ -0.0016204400000000, -0.0016204400000000, -0.0000104100000000 ] - [ -0.0019792300000000, -0.0016800300000000, 0.0001842400000000 ] - [ -0.0019365600000000, -0.0016385800000000, 0.0001832700000000 ] - [ -0.0016648300000000, -0.0016648300000000, 0.0001187400000000 ] - [ -0.0019756100000000, -0.0019756100000000, -0.0000106100000000 ] - [ -0.0016385800000000, -0.0019365600000000, 0.0001832700000000 ] - [ 0.0020343800000000, -0.0015616000000000, 0.0001668800000000 ] - [ 0.0016921800000000, -0.0016921800000000, -0.0001438600000000 ] - [ 0.0017948100000000, -0.0017948100000000, 0.0000091900000000 ] - [ 0.0015616000000000, -0.0020343800000000, 0.0001668800000000 ] - [ 0.0015822100000000, -0.0020556300000000, 0.0001677000000000 ] - [ 0.0019261500000000, -0.0019261500000000, -0.0001434600000000 ] - [ 0.0018132200000000, -0.0018132200000000, 0.0000088300000000 ] - [ 0.0020556300000000, -0.0015822100000000, 0.0001677000000000 ] - [ 0.0007851500000000, 0.0005859800000000, 0.0003620200000000 ] - [ -0.0007851500000000, -0.0005859800000000, 0.0003620200000000 ] - [ -0.0001098600000000, 0.0000051000000000, 0.0001961800000000 ] - [ 0.0001098600000000, -0.0000051000000000, 0.0001961800000000 ] - [ -0.0001145900000000, -0.0000063200000000, -0.0002951400000000 ] - [ 0.0001145900000000, 0.0000063200000000, -0.0002951400000000 ] - [ 0.0000697400000000, -0.0000136700000000, -0.0002004300000000 ] - [ -0.0000697400000000, 0.0000136700000000, -0.0002004300000000 ] - [ 0.0001147700000000, 0.0000061600000000, -0.0002955400000000 ] - [ -0.0001147700000000, -0.0000061600000000, -0.0002955400000000 ] - [ -0.0000692300000000, 0.0000137300000000, -0.0002009000000000 ] - [ 0.0000692300000000, -0.0000137300000000, -0.0002009000000000 ] - [ -0.0007903600000000, -0.0005833000000000, 0.0003764700000000 ] - [ 0.0007903600000000, 0.0005833000000000, 0.0003764700000000 ] - [ 0.0001110700000000, -0.0000045300000000, 0.0001978900000000 ] - [ -0.0001110700000000, 0.0000045300000000, 0.0001978900000000 ] - [ -0.0000061600000000, -0.0001147700000000, -0.0002955400000000 ] - [ -0.0000137300000000, 0.0000692300000000, -0.0002009000000000 ] - [ 0.0000061600000000, 0.0001147700000000, -0.0002955400000000 ] - [ 0.0000137300000000, -0.0000692300000000, -0.0002009000000000 ] - [ 0.0005833000000000, 0.0007903600000000, 0.0003764700000000 ] - [ 0.0000045300000000, -0.0001110700000000, 0.0001978900000000 ] - [ -0.0005833000000000, -0.0007903600000000, 0.0003764700000000 ] - [ -0.0000045300000000, 0.0001110700000000, 0.0001978900000000 ] - [ -0.0005859800000000, -0.0007851500000000, 0.0003620200000000 ] - [ -0.0000051000000000, 0.0001098600000000, 0.0001961800000000 ] - [ 0.0005859800000000, 0.0007851500000000, 0.0003620200000000 ] - [ 0.0000051000000000, -0.0001098600000000, 0.0001961800000000 ] - [ 0.0000063200000000, 0.0001145900000000, -0.0002951400000000 ] - [ 0.0000136700000000, -0.0000697400000000, -0.0002004300000000 ] - [ -0.0000063200000000, -0.0001145900000000, -0.0002951400000000 ] - [ -0.0000136700000000, 0.0000697400000000, -0.0002004300000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0037635400000000, 0.0026681700000000, -0.0000941400000000 ] - [ 0.0011196500000000, 0.0014496600000000, -0.0000975200000000 ] - [ 0.0042121300000000, 0.0038595100000000, 0.0002527600000000 ] - [ 0.0010168500000000, 0.0013536100000000, -0.0001189800000000 ] - [ 0.0020254700000000, 0.0019345500000000, -0.0000119700000000 ] - [ 0.0015630600000000, 0.0017406300000000, 0.0000309200000000 ] - [ 0.0021003700000000, 0.0019323400000000, -0.0000691700000000 ] - [ 0.0015794600000000, 0.0016701200000000, 0.0000497800000000 ] - [ -0.0046250300000000, 0.0052074600000000, 0.0005406000000000 ] - [ -0.0059493300000000, 0.0058477500000000, 0.0002105900000000 ] - [ -0.0015701900000000, 0.0020630700000000, 0.0000911600000000 ] - [ -0.0020958900000000, 0.0015686100000000, -0.0001342600000000 ] - [ -0.0017079600000000, 0.0020148300000000, -0.0000377600000000 ] - [ -0.0019123400000000, 0.0016761300000000, 0.0000139500000000 ] - [ -0.0016997400000000, 0.0019178400000000, -0.0000610100000000 ] - [ -0.0019336000000000, 0.0016683300000000, 0.0000734700000000 ] - [ 0.0090018100000000, 0.0076876700000000, 0.0007672100000000 ] - [ 0.0090877600000000, 0.0077120200000000, -0.0008086300000000 ] - [ -0.0000429300000000, 0.0000269900000000, -0.0001104700000000 ] - [ -0.0000472200000000, 0.0000225300000000, 0.0001107200000000 ] - [ 0.0000356300000000, 0.0000102600000000, -0.0001141500000000 ] - [ 0.0000318200000000, 0.0000042500000000, 0.0001149600000000 ] - [ -0.0000407200000000, -0.0000203700000000, 0.0000697400000000 ] - [ -0.0000420500000000, -0.0000225900000000, -0.0000698200000000 ] - [ -0.0033131700000000, 0.0026100600000000, -0.0005833200000000 ] - [ 0.0008577800000000, -0.0009767200000000, -0.0000045200000000 ] - [ -0.0032546000000000, 0.0025547300000000, 0.0005857200000000 ] - [ 0.0008528600000000, -0.0009717500000000, 0.0000050100000000 ] - [ -0.0002367300000000, 0.0003640800000000, 0.0000063100000000 ] - [ 0.0002406200000000, -0.0003671600000000, 0.0000135700000000 ] - [ -0.0002351700000000, 0.0003631500000000, -0.0000061800000000 ] - [ 0.0002390300000000, -0.0003664000000000, -0.0000138600000000 ] - [ -0.0046250300000000, -0.0052074600000000, -0.0005406000000000 ] - [ -0.0059493300000000, -0.0058477500000000, -0.0002105900000000 ] - [ -0.0015701900000000, -0.0020630700000000, -0.0000911600000000 ] - [ -0.0020958900000000, -0.0015686100000000, 0.0001342600000000 ] - [ -0.0017079600000000, -0.0020148300000000, 0.0000377600000000 ] - [ -0.0019123400000000, -0.0016761300000000, -0.0000139500000000 ] - [ -0.0016997400000000, -0.0019178400000000, 0.0000610100000000 ] - [ -0.0019336000000000, -0.0016683300000000, -0.0000734700000000 ] - [ 0.0037635400000000, -0.0026681700000000, 0.0000941400000000 ] - [ 0.0011196500000000, -0.0014496600000000, 0.0000975200000000 ] - [ 0.0042121300000000, -0.0038595100000000, -0.0002527600000000 ] - [ 0.0010168500000000, -0.0013536100000000, 0.0001189800000000 ] - [ 0.0020254700000000, -0.0019345500000000, 0.0000119700000000 ] - [ 0.0015630600000000, -0.0017406300000000, -0.0000309200000000 ] - [ 0.0021003700000000, -0.0019323400000000, 0.0000691700000000 ] - [ 0.0015794600000000, -0.0016701200000000, -0.0000497800000000 ] - [ -0.0009344200000000, -0.0016048800000000, 0.0004900000000000 ] - [ -0.0022908200000000, -0.0021966800000000, 0.0002201800000000 ] - [ 0.0020772600000000, 0.0015801100000000, 0.0000908600000000 ] - [ 0.0015437100000000, 0.0020697900000000, -0.0001337000000000 ] - [ 0.0019384000000000, 0.0016291600000000, -0.0000372700000000 ] - [ 0.0017246800000000, 0.0019629400000000, 0.0000128200000000 ] - [ 0.0019440500000000, 0.0017232900000000, -0.0000608600000000 ] - [ 0.0017077300000000, 0.0019723500000000, 0.0000731300000000 ] - [ 0.0001173300000000, 0.0010206700000000, -0.0001222500000000 ] - [ -0.0025230000000000, 0.0021899700000000, -0.0000971000000000 ] - [ 0.0006081300000000, -0.0002412400000000, 0.0002573300000000 ] - [ -0.0026316100000000, 0.0022944200000000, -0.0001187200000000 ] - [ -0.0016150300000000, 0.0017097200000000, -0.0000109000000000 ] - [ -0.0020786400000000, 0.0018988700000000, 0.0000303700000000 ] - [ -0.0015382000000000, 0.0017094200000000, -0.0000689100000000 ] - [ -0.0020627900000000, 0.0019714400000000, 0.0000495700000000 ] - [ -0.0032546000000000, -0.0025547300000000, -0.0005857200000000 ] - [ 0.0008528600000000, 0.0009717500000000, -0.0000050100000000 ] - [ -0.0033131700000000, -0.0026100600000000, 0.0005833200000000 ] - [ 0.0008577800000000, 0.0009767200000000, 0.0000045200000000 ] - [ -0.0002351700000000, -0.0003631500000000, 0.0000061800000000 ] - [ 0.0002390300000000, 0.0003664000000000, 0.0000138600000000 ] - [ -0.0002367300000000, -0.0003640800000000, -0.0000063100000000 ] - [ 0.0002406200000000, 0.0003671600000000, -0.0000135700000000 ] - [ 0.0090018100000000, -0.0076876700000000, -0.0007672100000000 ] - [ 0.0090877600000000, -0.0077120200000000, 0.0008086300000000 ] - [ -0.0000429300000000, -0.0000269900000000, 0.0001104700000000 ] - [ -0.0000472200000000, -0.0000225300000000, -0.0001107200000000 ] - [ 0.0000356300000000, -0.0000102600000000, 0.0001141500000000 ] - [ 0.0000318200000000, -0.0000042500000000, -0.0001149600000000 ] - [ -0.0000407200000000, 0.0000203700000000, -0.0000697400000000 ] - [ -0.0000420500000000, 0.0000225900000000, 0.0000698200000000 ] - [ 0.0001173300000000, -0.0010206700000000, 0.0001222500000000 ] - [ -0.0025230000000000, -0.0021899700000000, 0.0000971000000000 ] - [ 0.0006081300000000, 0.0002412400000000, -0.0002573300000000 ] - [ -0.0026316100000000, -0.0022944200000000, 0.0001187200000000 ] - [ -0.0016150300000000, -0.0017097200000000, 0.0000109000000000 ] - [ -0.0020786400000000, -0.0018988700000000, -0.0000303700000000 ] - [ -0.0015382000000000, -0.0017094200000000, 0.0000689100000000 ] - [ -0.0020627900000000, -0.0019714400000000, -0.0000495700000000 ] - [ -0.0009344200000000, 0.0016048800000000, -0.0004900000000000 ] - [ -0.0022908200000000, 0.0021966800000000, -0.0002201800000000 ] - [ 0.0020772600000000, -0.0015801100000000, -0.0000908600000000 ] - [ 0.0015437100000000, -0.0020697900000000, 0.0001337000000000 ] - [ 0.0019384000000000, -0.0016291600000000, 0.0000372700000000 ] - [ 0.0017246800000000, -0.0019629400000000, -0.0000128200000000 ] - [ 0.0019440500000000, -0.0017232900000000, 0.0000608600000000 ] - [ 0.0017077300000000, -0.0019723500000000, -0.0000731300000000 ] - [ -0.0140024000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0025303400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002253200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0003743900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001179700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001142600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001439300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001418600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0025605400000000, 0.0000000200000000, -0.0000135800000000 ] - [ 0.0013074300000000, 0.0003663300000000, 0.0000028200000000 ] - [ -0.0001515600000000, -0.0003662500000000, -0.0000023200000000 ] - [ 0.0002543800000000, -0.0000001400000000, 0.0000004200000000 ] - [ -0.0025605400000000, -0.0000000200000000, 0.0000135800000000 ] - [ 0.0013074300000000, -0.0003663300000000, -0.0000028200000000 ] - [ -0.0001515600000000, 0.0003662500000000, 0.0000023200000000 ] - [ 0.0002543800000000, 0.0000001400000000, -0.0000004200000000 ] - [ 0.0000288900000000, 0.0006233300000000, -0.0004669400000000 ] - [ 0.0000239700000000, -0.0005816000000000, 0.0006223900000000 ] - [ 0.0000303500000000, -0.0005782100000000, -0.0006211900000000 ] - [ 0.0000254800000000, 0.0006291700000000, 0.0004687600000000 ] - [ 0.0000303500000000, 0.0005782100000000, 0.0006211900000000 ] - [ 0.0000254800000000, -0.0006291700000000, -0.0004687600000000 ] - [ 0.0000288900000000, -0.0006233300000000, 0.0004669400000000 ] - [ 0.0000239700000000, 0.0005816000000000, -0.0006223900000000 ] - [ 0.0008494000000000, 0.0022451700000000, -0.0002258900000000 ] - [ 0.0008442700000000, -0.0022625800000000, -0.0002251600000000 ] - [ 0.0008494000000000, -0.0022451700000000, 0.0002258900000000 ] - [ 0.0008442700000000, 0.0022625800000000, 0.0002251600000000 ] - [ 0.0000028700000000, -0.0000207600000000, 0.0000316500000000 ] - [ 0.0000014900000000, 0.0000205300000000, 0.0000316100000000 ] - [ 0.0000028700000000, 0.0000207600000000, -0.0000316500000000 ] - [ 0.0000014900000000, -0.0000205300000000, -0.0000316100000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0005063200000000, -0.0001285500000000, 0.0007620000000000 ] - [ 0.0017110500000000, 0.0017083800000000, 0.0002273200000000 ] - [ 0.0052435100000000, 0.0048998200000000, 0.0003359700000000 ] - [ 0.0019262800000000, 0.0020022300000000, 0.0001805300000000 ] - [ 0.0019443500000000, 0.0025751000000000, -0.0005868200000000 ] - [ 0.0019076400000000, 0.0018620500000000, -0.0002412900000000 ] - [ 0.0013268100000000, 0.0014702200000000, -0.0001719500000000 ] - [ 0.0018103000000000, 0.0016513900000000, -0.0001692700000000 ] - [ 0.0001285500000000, -0.0005063200000000, 0.0007620000000000 ] - [ -0.0048998200000000, 0.0052435100000000, 0.0003359700000000 ] - [ -0.0017083800000000, 0.0017110500000000, 0.0002273200000000 ] - [ -0.0020022300000000, 0.0019262800000000, 0.0001805300000000 ] - [ -0.0025751000000000, 0.0019443500000000, -0.0005868200000000 ] - [ -0.0014702200000000, 0.0013268100000000, -0.0001719500000000 ] - [ -0.0018620500000000, 0.0019076400000000, -0.0002412900000000 ] - [ -0.0016513900000000, 0.0018103000000000, -0.0001692700000000 ] - [ 0.0060156300000000, 0.0057189400000000, 0.0003642200000000 ] - [ -0.0060156300000000, -0.0057189400000000, 0.0003642200000000 ] - [ 0.0002173800000000, 0.0001140800000000, 0.0001965000000000 ] - [ -0.0002173800000000, -0.0001140800000000, 0.0001965000000000 ] - [ -0.0006085200000000, -0.0008412000000000, -0.0002956000000000 ] - [ 0.0006085200000000, 0.0008412000000000, -0.0002956000000000 ] - [ -0.0001211700000000, -0.0001606200000000, -0.0001997400000000 ] - [ 0.0001211700000000, 0.0001606200000000, -0.0001997400000000 ] - [ -0.0057189400000000, 0.0060156300000000, 0.0003642200000000 ] - [ -0.0001140800000000, 0.0002173800000000, 0.0001965000000000 ] - [ 0.0057189400000000, -0.0060156300000000, 0.0003642200000000 ] - [ 0.0001140800000000, -0.0002173800000000, 0.0001965000000000 ] - [ 0.0008412000000000, -0.0006085200000000, -0.0002956000000000 ] - [ 0.0001606200000000, -0.0001211700000000, -0.0001997400000000 ] - [ -0.0008412000000000, 0.0006085200000000, -0.0002956000000000 ] - [ -0.0001606200000000, 0.0001211700000000, -0.0001997400000000 ] - [ -0.0038223100000000, -0.0041214000000000, 0.0007161000000000 ] - [ 0.0012726900000000, 0.0016221600000000, 0.0003429900000000 ] - [ -0.0019212300000000, -0.0019188800000000, 0.0002257300000000 ] - [ -0.0016163200000000, -0.0016939500000000, 0.0001792300000000 ] - [ -0.0010381600000000, -0.0016757700000000, -0.0005903300000000 ] - [ -0.0021616300000000, -0.0023068300000000, -0.0001699700000000 ] - [ -0.0017656800000000, -0.0017200600000000, -0.0002405300000000 ] - [ -0.0019902600000000, -0.0018302700000000, -0.0001689700000000 ] - [ 0.0041214000000000, -0.0038223100000000, 0.0007161000000000 ] - [ 0.0019188800000000, -0.0019212300000000, 0.0002257300000000 ] - [ -0.0016221600000000, 0.0012726900000000, 0.0003429900000000 ] - [ 0.0016939500000000, -0.0016163200000000, 0.0001792300000000 ] - [ 0.0016757700000000, -0.0010381600000000, -0.0005903300000000 ] - [ 0.0017200600000000, -0.0017656800000000, -0.0002405300000000 ] - [ 0.0023068300000000, -0.0021616300000000, -0.0001699700000000 ] - [ 0.0018302700000000, -0.0019902600000000, -0.0001689700000000 ] - [ 0.0038223100000000, 0.0041214000000000, 0.0007161000000000 ] - [ -0.0012726900000000, -0.0016221600000000, 0.0003429900000000 ] - [ 0.0019212300000000, 0.0019188800000000, 0.0002257300000000 ] - [ 0.0016163200000000, 0.0016939500000000, 0.0001792300000000 ] - [ 0.0010381600000000, 0.0016757700000000, -0.0005903300000000 ] - [ 0.0021616300000000, 0.0023068300000000, -0.0001699700000000 ] - [ 0.0017656800000000, 0.0017200600000000, -0.0002405300000000 ] - [ 0.0019902600000000, 0.0018302700000000, -0.0001689700000000 ] - [ -0.0041214000000000, 0.0038223100000000, 0.0007161000000000 ] - [ -0.0019188800000000, 0.0019212300000000, 0.0002257300000000 ] - [ 0.0016221600000000, -0.0012726900000000, 0.0003429900000000 ] - [ -0.0016939500000000, 0.0016163200000000, 0.0001792300000000 ] - [ -0.0016757700000000, 0.0010381600000000, -0.0005903300000000 ] - [ -0.0017200600000000, 0.0017656800000000, -0.0002405300000000 ] - [ -0.0023068300000000, 0.0021616300000000, -0.0001699700000000 ] - [ -0.0018302700000000, 0.0019902600000000, -0.0001689700000000 ] - [ -0.0057037200000000, -0.0060172500000000, 0.0003752700000000 ] - [ -0.0001052900000000, -0.0002091200000000, 0.0001975700000000 ] - [ 0.0057037200000000, 0.0060172500000000, 0.0003752700000000 ] - [ 0.0001052900000000, 0.0002091200000000, 0.0001975700000000 ] - [ 0.0008261100000000, 0.0005958900000000, -0.0002945900000000 ] - [ 0.0001493300000000, 0.0001105100000000, -0.0002003100000000 ] - [ -0.0008261100000000, -0.0005958900000000, -0.0002945900000000 ] - [ -0.0001493300000000, -0.0001105100000000, -0.0002003100000000 ] - [ -0.0060172500000000, 0.0057037200000000, 0.0003752700000000 ] - [ 0.0060172500000000, -0.0057037200000000, 0.0003752700000000 ] - [ -0.0002091200000000, 0.0001052900000000, 0.0001975700000000 ] - [ 0.0002091200000000, -0.0001052900000000, 0.0001975700000000 ] - [ 0.0005958900000000, -0.0008261100000000, -0.0002945900000000 ] - [ -0.0005958900000000, 0.0008261100000000, -0.0002945900000000 ] - [ 0.0001105100000000, -0.0001493300000000, -0.0002003100000000 ] - [ -0.0001105100000000, 0.0001493300000000, -0.0002003100000000 ] - [ 0.0005063200000000, 0.0001285500000000, 0.0007620000000000 ] - [ -0.0017110500000000, -0.0017083800000000, 0.0002273200000000 ] - [ -0.0052435100000000, -0.0048998200000000, 0.0003359700000000 ] - [ -0.0019262800000000, -0.0020022300000000, 0.0001805300000000 ] - [ -0.0019443500000000, -0.0025751000000000, -0.0005868200000000 ] - [ -0.0019076400000000, -0.0018620500000000, -0.0002412900000000 ] - [ -0.0013268100000000, -0.0014702200000000, -0.0001719500000000 ] - [ -0.0018103000000000, -0.0016513900000000, -0.0001692700000000 ] - [ -0.0001285500000000, 0.0005063200000000, 0.0007620000000000 ] - [ 0.0048998200000000, -0.0052435100000000, 0.0003359700000000 ] - [ 0.0017083800000000, -0.0017110500000000, 0.0002273200000000 ] - [ 0.0020022300000000, -0.0019262800000000, 0.0001805300000000 ] - [ 0.0025751000000000, -0.0019443500000000, -0.0005868200000000 ] - [ 0.0014702200000000, -0.0013268100000000, -0.0001719500000000 ] - [ 0.0018620500000000, -0.0019076400000000, -0.0002412900000000 ] - [ 0.0016513900000000, -0.0018103000000000, -0.0001692700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0191332500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016063000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016063000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004717900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014495400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007533000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007533000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004512700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0076276700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004470600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004470600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000072900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0074860300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004502600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004502600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000109700000000 ] - [ -0.0006222500000000, -0.0004687500000000, 0.0004644100000000 ] - [ 0.0004687500000000, -0.0006222500000000, 0.0004644100000000 ] - [ -0.0004687500000000, 0.0006222500000000, 0.0004644100000000 ] - [ 0.0006222500000000, 0.0004687500000000, 0.0004644100000000 ] - [ 0.0004669100000000, 0.0006214300000000, 0.0004679600000000 ] - [ -0.0006214300000000, 0.0004669100000000, 0.0004679600000000 ] - [ 0.0006214300000000, -0.0004669100000000, 0.0004679600000000 ] - [ -0.0004669100000000, -0.0006214300000000, 0.0004679600000000 ] - [ -0.0002216600000000, 0.0002293900000000, -0.0018347900000000 ] - [ -0.0002293900000000, -0.0002216600000000, -0.0018347900000000 ] - [ 0.0002293900000000, 0.0002216600000000, -0.0018347900000000 ] - [ 0.0002216600000000, -0.0002293900000000, -0.0018347900000000 ] - [ 0.0000310400000000, -0.0000318800000000, 0.0007492700000000 ] - [ 0.0000318800000000, 0.0000310400000000, 0.0007492700000000 ] - [ -0.0000318800000000, -0.0000310400000000, 0.0007492700000000 ] - [ -0.0000310400000000, 0.0000318800000000, 0.0007492700000000 ]