# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/a4262fff-270b-41fa-b376-4f50bd8c6f02/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 Cd(AgO2)2 / I4_1/amd (141) / materials id 754454](https://mdr.nims.go.jp/datasets/dcbca738-06dd-4b7e-814e-06ba363ae00e) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "I4_1/amd" number: 141 Hall_symbol: "I 4bw 2bw -1bw"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: - [ -2.946253830000000, 2.946253830000000, 5.741075885000000 ] # a - [ 2.946253830000000, -2.946253830000000, 5.741075885000000 ] # b - [ 2.946253830000000, 2.946253830000000, -5.741075885000000 ] # c points: - symbol: Cd # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 112.411000 - symbol: Cd # 2 coordinates: [ 0.750000000000000, 0.250000000000000, 0.500000000000000 ] mass: 112.411000 - symbol: Ag # 3 coordinates: [ 0.375000000000000, 0.125000000000000, 0.750000000000000 ] mass: 107.868200 - symbol: Ag # 4 coordinates: [ 0.375000000000000, 0.625000000000000, 0.250000000000000 ] mass: 107.868200 - symbol: Ag # 5 coordinates: [ 0.375000000000000, 0.625000000000000, 0.750000000000000 ] mass: 107.868200 - symbol: Ag # 6 coordinates: [ 0.875000000000000, 0.625000000000000, 0.250000000000000 ] mass: 107.868200 - symbol: O # 7 coordinates: [ 0.137719560000000, 0.868060290000000, 0.269659270000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.151598980000000, 0.381939710000000, 0.769659270000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.131939710000000, 0.862280440000000, 0.730340730000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.131939710000000, 0.401598980000000, 0.269659270000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.612280440000000, 0.381939710000000, 0.230340730000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.598401020000000, 0.868060290000000, 0.730340730000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.618060290000000, 0.387719560000000, 0.769659270000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.618060290000000, 0.848401020000000, 0.230340730000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ -0.000000000000000, 0.169707034373206, 0.087091689783508 ] # a* - [ 0.169707034373206, 0.000000000000000, 0.087091689783508 ] # b* - [ 0.169707034373206, 0.169707034373206, 0.000000000000000 ] # c*unit_cell: lattice: - [ 5.892507660000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.892507660000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.482151770000000 ] # c points: - symbol: Cd # 1 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 2 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 112.411000 reduced_to: 2 - symbol: Cd # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 4 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 112.411000 reduced_to: 2 - symbol: Ag # 5 coordinates: [ 0.250000000000000, 0.500000000000000, 0.875000000000000 ] mass: 107.868200 reduced_to: 5 - symbol: Ag # 6 coordinates: [ 0.750000000000000, 0.500000000000000, 0.875000000000000 ] mass: 107.868200 reduced_to: 6 - symbol: Ag # 7 coordinates: [ 0.000000000000000, 0.750000000000000, 0.625000000000000 ] mass: 107.868200 reduced_to: 7 - symbol: Ag # 8 coordinates: [ 0.000000000000000, 0.250000000000000, 0.625000000000000 ] mass: 107.868200 reduced_to: 8 - symbol: Ag # 9 coordinates: [ 0.750000000000000, 0.000000000000000, 0.375000000000000 ] mass: 107.868200 reduced_to: 5 - symbol: Ag # 10 coordinates: [ 0.250000000000000, 0.000000000000000, 0.375000000000000 ] mass: 107.868200 reduced_to: 6 - symbol: Ag # 11 coordinates: [ 0.500000000000000, 0.250000000000000, 0.125000000000000 ] mass: 107.868200 reduced_to: 7 - symbol: Ag # 12 coordinates: [ 0.500000000000000, 0.750000000000000, 0.125000000000000 ] mass: 107.868200 reduced_to: 8 - symbol: O # 13 coordinates: [ 0.000000000000000, 0.269659270000000, 0.868060290000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.500000000000000, 0.269659270000000, 0.881939710000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.230340730000000, 0.500000000000000, 0.631939710000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.769659270000000, 0.500000000000000, 0.631939710000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.500000000000000, 0.730340730000000, 0.881939710000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.000000000000000, 0.730340730000000, 0.868060290000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.769659270000000, 0.000000000000000, 0.618060290000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.230340730000000, 0.000000000000000, 0.618060290000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.500000000000000, 0.769659270000000, 0.368060290000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 22 coordinates: [ 0.000000000000000, 0.769659270000000, 0.381939710000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 23 coordinates: [ 0.730340730000000, 0.000000000000000, 0.131939710000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 24 coordinates: [ 0.269659270000000, 0.000000000000000, 0.131939710000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 25 coordinates: [ 0.000000000000000, 0.230340730000000, 0.381939710000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 26 coordinates: [ 0.500000000000000, 0.230340730000000, 0.368060290000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 27 coordinates: [ 0.269659270000000, 0.500000000000000, 0.118060290000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 28 coordinates: [ 0.730340730000000, 0.500000000000000, 0.118060290000000 ] mass: 15.999400 reduced_to: 20supercell: lattice: - [ 11.785015319999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 11.785015319999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.482151770000000 ] # c points: - symbol: Cd # 1 coordinates: [ 0.250000000000000, 0.250000000000000, 0.500000000000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 2 coordinates: [ 0.750000000000000, 0.250000000000000, 0.500000000000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 3 coordinates: [ 0.250000000000000, 0.750000000000000, 0.500000000000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 4 coordinates: [ 0.750000000000000, 0.750000000000000, 0.500000000000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 5 coordinates: [ 0.250000000000000, 0.000000000000000, 0.750000000000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 6 coordinates: [ 0.750000000000000, 0.000000000000000, 0.750000000000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 7 coordinates: [ 0.250000000000000, 0.500000000000000, 0.750000000000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 8 coordinates: [ 0.750000000000000, 0.500000000000000, 0.750000000000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 10 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 11 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 12 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 13 coordinates: [ 0.000000000000000, 0.250000000000000, 0.250000000000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 14 coordinates: [ 0.500000000000000, 0.250000000000000, 0.250000000000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 15 coordinates: [ 0.000000000000000, 0.750000000000000, 0.250000000000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 16 coordinates: [ 0.500000000000000, 0.750000000000000, 0.250000000000000 ] mass: 112.411000 reduced_to: 5 - symbol: Ag # 17 coordinates: [ 0.125000000000000, 0.250000000000000, 0.875000000000000 ] mass: 107.868200 reduced_to: 17 - symbol: Ag # 18 coordinates: [ 0.625000000000000, 0.250000000000000, 0.875000000000000 ] mass: 107.868200 reduced_to: 17 - symbol: Ag # 19 coordinates: [ 0.125000000000000, 0.750000000000000, 0.875000000000000 ] mass: 107.868200 reduced_to: 17 - symbol: Ag # 20 coordinates: [ 0.625000000000000, 0.750000000000000, 0.875000000000000 ] mass: 107.868200 reduced_to: 17 - symbol: Ag # 21 coordinates: [ 0.375000000000000, 0.250000000000000, 0.875000000000000 ] mass: 107.868200 reduced_to: 21 - symbol: Ag # 22 coordinates: [ 0.875000000000000, 0.250000000000000, 0.875000000000000 ] mass: 107.868200 reduced_to: 21 - symbol: Ag # 23 coordinates: [ 0.375000000000000, 0.750000000000000, 0.875000000000000 ] mass: 107.868200 reduced_to: 21 - symbol: Ag # 24 coordinates: [ 0.875000000000000, 0.750000000000000, 0.875000000000000 ] mass: 107.868200 reduced_to: 21 - symbol: Ag # 25 coordinates: [ 0.000000000000000, 0.375000000000000, 0.625000000000000 ] mass: 107.868200 reduced_to: 25 - symbol: Ag # 26 coordinates: [ 0.500000000000000, 0.375000000000000, 0.625000000000000 ] mass: 107.868200 reduced_to: 25 - symbol: Ag # 27 coordinates: [ 0.000000000000000, 0.875000000000000, 0.625000000000000 ] mass: 107.868200 reduced_to: 25 - symbol: Ag # 28 coordinates: [ 0.500000000000000, 0.875000000000000, 0.625000000000000 ] mass: 107.868200 reduced_to: 25 - symbol: Ag # 29 coordinates: [ 0.000000000000000, 0.125000000000000, 0.625000000000000 ] mass: 107.868200 reduced_to: 29 - symbol: Ag # 30 coordinates: [ 0.500000000000000, 0.125000000000000, 0.625000000000000 ] mass: 107.868200 reduced_to: 29 - symbol: Ag # 31 coordinates: [ 0.000000000000000, 0.625000000000000, 0.625000000000000 ] mass: 107.868200 reduced_to: 29 - symbol: Ag # 32 coordinates: [ 0.500000000000000, 0.625000000000000, 0.625000000000000 ] mass: 107.868200 reduced_to: 29 - symbol: Ag # 33 coordinates: [ 0.375000000000000, 0.000000000000000, 0.375000000000000 ] mass: 107.868200 reduced_to: 17 - symbol: Ag # 34 coordinates: [ 0.875000000000000, 0.000000000000000, 0.375000000000000 ] mass: 107.868200 reduced_to: 17 - symbol: Ag # 35 coordinates: [ 0.375000000000000, 0.500000000000000, 0.375000000000000 ] mass: 107.868200 reduced_to: 17 - symbol: Ag # 36 coordinates: [ 0.875000000000000, 0.500000000000000, 0.375000000000000 ] mass: 107.868200 reduced_to: 17 - symbol: Ag # 37 coordinates: [ 0.125000000000000, 0.000000000000000, 0.375000000000000 ] mass: 107.868200 reduced_to: 21 - symbol: Ag # 38 coordinates: [ 0.625000000000000, 0.000000000000000, 0.375000000000000 ] mass: 107.868200 reduced_to: 21 - symbol: Ag # 39 coordinates: [ 0.125000000000000, 0.500000000000000, 0.375000000000000 ] mass: 107.868200 reduced_to: 21 - symbol: Ag # 40 coordinates: [ 0.625000000000000, 0.500000000000000, 0.375000000000000 ] mass: 107.868200 reduced_to: 21 - symbol: Ag # 41 coordinates: [ 0.250000000000000, 0.125000000000000, 0.125000000000000 ] mass: 107.868200 reduced_to: 25 - symbol: Ag # 42 coordinates: [ 0.750000000000000, 0.125000000000000, 0.125000000000000 ] mass: 107.868200 reduced_to: 25 - symbol: Ag # 43 coordinates: [ 0.250000000000000, 0.625000000000000, 0.125000000000000 ] mass: 107.868200 reduced_to: 25 - symbol: Ag # 44 coordinates: [ 0.750000000000000, 0.625000000000000, 0.125000000000000 ] mass: 107.868200 reduced_to: 25 - symbol: Ag # 45 coordinates: [ 0.250000000000000, 0.375000000000000, 0.125000000000000 ] mass: 107.868200 reduced_to: 29 - symbol: Ag # 46 coordinates: [ 0.750000000000000, 0.375000000000000, 0.125000000000000 ] mass: 107.868200 reduced_to: 29 - symbol: Ag # 47 coordinates: [ 0.250000000000000, 0.875000000000000, 0.125000000000000 ] mass: 107.868200 reduced_to: 29 - symbol: Ag # 48 coordinates: [ 0.750000000000000, 0.875000000000000, 0.125000000000000 ] mass: 107.868200 reduced_to: 29 - symbol: O # 49 coordinates: [ 0.000000000000000, 0.134829635000000, 0.868060290000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.500000000000000, 0.134829635000000, 0.868060290000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.000000000000000, 0.634829635000000, 0.868060290000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.500000000000000, 0.634829635000000, 0.868060290000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.250000000000000, 0.134829635000000, 0.881939710000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.750000000000000, 0.134829635000000, 0.881939710000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.250000000000000, 0.634829635000000, 0.881939710000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.750000000000000, 0.634829635000000, 0.881939710000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.115170365000000, 0.250000000000000, 0.631939710000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.615170365000000, 0.250000000000000, 0.631939710000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.115170365000000, 0.750000000000000, 0.631939710000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.615170365000000, 0.750000000000000, 0.631939710000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.384829635000000, 0.250000000000000, 0.631939710000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.884829635000000, 0.250000000000000, 0.631939710000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.384829635000000, 0.750000000000000, 0.631939710000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.884829635000000, 0.750000000000000, 0.631939710000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.250000000000000, 0.365170365000000, 0.881939710000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.750000000000000, 0.365170365000000, 0.881939710000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.250000000000000, 0.865170365000000, 0.881939710000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.750000000000000, 0.865170365000000, 0.881939710000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.000000000000000, 0.365170365000000, 0.868060290000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.500000000000000, 0.365170365000000, 0.868060290000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.000000000000000, 0.865170365000000, 0.868060290000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 72 coordinates: [ 0.500000000000000, 0.865170365000000, 0.868060290000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 73 coordinates: [ 0.384829635000000, 0.000000000000000, 0.618060290000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.884829635000000, 0.000000000000000, 0.618060290000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.384829635000000, 0.500000000000000, 0.618060290000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.884829635000000, 0.500000000000000, 0.618060290000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.115170365000000, 0.000000000000000, 0.618060290000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.615170365000000, 0.000000000000000, 0.618060290000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.115170365000000, 0.500000000000000, 0.618060290000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 80 coordinates: [ 0.615170365000000, 0.500000000000000, 0.618060290000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 81 coordinates: [ 0.250000000000000, 0.384829635000000, 0.368060290000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 82 coordinates: [ 0.750000000000000, 0.384829635000000, 0.368060290000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 83 coordinates: [ 0.250000000000000, 0.884829635000000, 0.368060290000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 84 coordinates: [ 0.750000000000000, 0.884829635000000, 0.368060290000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 85 coordinates: [ 0.000000000000000, 0.384829635000000, 0.381939710000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 86 coordinates: [ 0.500000000000000, 0.384829635000000, 0.381939710000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 87 coordinates: [ 0.000000000000000, 0.884829635000000, 0.381939710000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 88 coordinates: [ 0.500000000000000, 0.884829635000000, 0.381939710000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 89 coordinates: [ 0.365170365000000, 0.000000000000000, 0.131939710000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 90 coordinates: [ 0.865170365000000, 0.000000000000000, 0.131939710000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 91 coordinates: [ 0.365170365000000, 0.500000000000000, 0.131939710000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 92 coordinates: [ 0.865170365000000, 0.500000000000000, 0.131939710000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 93 coordinates: [ 0.134829635000000, 0.000000000000000, 0.131939710000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 94 coordinates: [ 0.634829635000000, 0.000000000000000, 0.131939710000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 95 coordinates: [ 0.134829635000000, 0.500000000000000, 0.131939710000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 96 coordinates: [ 0.634829635000000, 0.500000000000000, 0.131939710000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 97 coordinates: [ 0.000000000000000, 0.115170365000000, 0.381939710000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 98 coordinates: [ 0.500000000000000, 0.115170365000000, 0.381939710000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 99 coordinates: [ 0.000000000000000, 0.615170365000000, 0.381939710000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 100 coordinates: [ 0.500000000000000, 0.615170365000000, 0.381939710000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 101 coordinates: [ 0.250000000000000, 0.115170365000000, 0.368060290000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 102 coordinates: [ 0.750000000000000, 0.115170365000000, 0.368060290000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 103 coordinates: [ 0.250000000000000, 0.615170365000000, 0.368060290000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 104 coordinates: [ 0.750000000000000, 0.615170365000000, 0.368060290000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 105 coordinates: [ 0.134829635000000, 0.250000000000000, 0.118060290000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 106 coordinates: [ 0.634829635000000, 0.250000000000000, 0.118060290000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 107 coordinates: [ 0.134829635000000, 0.750000000000000, 0.118060290000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 108 coordinates: [ 0.634829635000000, 0.750000000000000, 0.118060290000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 109 coordinates: [ 0.365170365000000, 0.250000000000000, 0.118060290000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 110 coordinates: [ 0.865170365000000, 0.250000000000000, 0.118060290000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 111 coordinates: [ 0.365170365000000, 0.750000000000000, 0.118060290000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 112 coordinates: [ 0.865170365000000, 0.750000000000000, 0.118060290000000 ] mass: 15.999400 reduced_to: 77born_effective_charge:- # 1 (Cd) - [ 2.685130200000000, 0.000000000000000, -0.000000000000000 ] - [ -0.000000000000000, 2.685130200000000, -0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, 2.178345480000000 ]- # 2 (Cd) - [ 2.685130200000000, 0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, 2.685130200000000, -0.000000000000000 ] - [ -0.000000000000000, -0.000000000000000, 2.178345480000000 ]- # 3 (Ag) - [ 4.452548850000000, -0.000000000000000, 0.510176620000000 ] - [ -0.000000000000000, 1.322056880000000, -0.000000000000000 ] - [ -0.362379920000000, 0.000000000000000, 0.807984800000000 ]- # 4 (Ag) - [ 4.452548850000000, -0.000000000000000, -0.510176620000000 ] - [ -0.000000000000000, 1.322056880000000, 0.000000000000000 ] - [ 0.362379920000000, -0.000000000000000, 0.807984800000000 ]- # 5 (Ag) - [ 1.322056880000000, 0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, 4.452548850000000, -0.510176620000000 ] - [ 0.000000000000000, 0.362379920000000, 0.807984800000000 ]- # 6 (Ag) - [ 1.322056880000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 4.452548850000000, 0.510176619999999 ] - [ -0.000000000000000, -0.362379920000000, 0.807984800000000 ]- # 7 (O) - [ -2.561498850000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.668369110000000, 0.111431470000000 ] - [ -0.000000000000000, 0.286831050000000, -0.948578770000000 ]- # 8 (O) - [ -2.561498850000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.668369110000000, -0.111431470000000 ] - [ -0.000000000000000, -0.286831050000000, -0.948578770000000 ]- # 9 (O) - [ -1.668369110000000, -0.000000000000000, 0.111431470000000 ] - [ -0.000000000000000, -2.561498850000000, 0.000000000000000 ] - [ 0.286831050000000, -0.000000000000000, -0.948578770000000 ]- # 10 (O) - [ -1.668369110000000, 0.000000000000000, -0.111431470000000 ] - [ -0.000000000000000, -2.561498850000000, 0.000000000000000 ] - [ -0.286831050000000, 0.000000000000000, -0.948578770000000 ]- # 11 (O) - [ -2.561498850000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.668369110000000, 0.111431470000000 ] - [ 0.000000000000000, 0.286831050000000, -0.948578770000000 ]- # 12 (O) - [ -2.561498850000000, 0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, -1.668369110000000, -0.111431470000000 ] - [ 0.000000000000000, -0.286831050000000, -0.948578770000000 ]- # 13 (O) - [ -1.668369110000000, -0.000000000000000, 0.111431470000000 ] - [ -0.000000000000000, -2.561498850000000, 0.000000000000000 ] - [ 0.286831050000000, 0.000000000000000, -0.948578770000000 ]- # 14 (O) - [ -1.668369110000000, -0.000000000000000, -0.111431470000000 ] - [ -0.000000000000000, -2.561498850000000, 0.000000000000000 ] - [ -0.286831050000000, -0.000000000000000, -0.948578770000000 ]dielectric_constant: - [ 9.036700769999999, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 9.036700769999999, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 5.356022790000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0594364000000000, 0.0000000000000000, -0.0014764100000000 ] - [ 0.0024187800000000, 0.0000000000000000, 0.0000031300000000 ] - [ -0.0009650700000000, 0.0000000000000000, 0.0000011900000000 ] - [ 0.0009933600000000, 0.0000000000000000, -0.0000000100000000 ] - [ -0.0021896800000000, -0.0000034200000000, -0.0000004900000000 ] - [ 0.0019537600000000, -0.0000013600000000, 0.0000018800000000 ] - [ -0.0021896800000000, 0.0000034200000000, -0.0000004900000000 ] - [ 0.0019537600000000, 0.0000013600000000, 0.0000018800000000 ] - [ -0.0000233000000000, 0.0002319800000000, -0.0002151400000000 ] - [ -0.0000209100000000, -0.0002288700000000, 0.0002158600000000 ] - [ -0.0000233000000000, -0.0002319800000000, -0.0002151400000000 ] - [ -0.0000209100000000, 0.0002288700000000, 0.0002158600000000 ] - [ 0.0009168300000000, 0.0000000000000000, 0.0018117600000000 ] - [ 0.0009138400000000, 0.0000000000000000, -0.0018297000000000 ] - [ 0.0000415100000000, 0.0000000000000000, 0.0001061800000000 ] - [ 0.0000365500000000, 0.0000000000000000, -0.0001029800000000 ] - [ -0.0009100400000000, 0.0000000000000000, -0.0018276200000000 ] - [ 0.0009320200000000, 0.0000000000000000, 0.0005379400000000 ] - [ -0.0003044400000000, 0.0000000000000000, -0.0002176000000000 ] - [ 0.0003146300000000, 0.0000000000000000, 0.0002453800000000 ] - [ -0.0009016100000000, 0.0000000000000000, 0.0018342200000000 ] - [ 0.0009435800000000, 0.0000000000000000, -0.0005408900000000 ] - [ -0.0003147200000000, 0.0000000000000000, 0.0002181000000000 ] - [ 0.0003109300000000, 0.0000000000000000, -0.0002437200000000 ] - [ 0.0071412200000000, -0.0067662300000000, -0.0019617100000000 ] - [ 0.0072077300000000, 0.0067749100000000, 0.0020368400000000 ] - [ 0.0000702300000000, 0.0016485900000000, 0.0001973500000000 ] - [ 0.0000668700000000, -0.0016565700000000, -0.0001942000000000 ] - [ 0.0071412200000000, 0.0067662300000000, -0.0019617100000000 ] - [ 0.0072077300000000, -0.0067749100000000, 0.0020368400000000 ] - [ 0.0000702300000000, -0.0016485900000000, 0.0001973500000000 ] - [ 0.0000668700000000, 0.0016565700000000, -0.0001942000000000 ] - [ -0.0014390600000000, -0.0028937000000000, -0.0024342500000000 ] - [ 0.0013018600000000, 0.0008396500000000, 0.0000042900000000 ] - [ -0.0014390600000000, 0.0028937000000000, -0.0024342500000000 ] - [ 0.0013018600000000, -0.0008396500000000, 0.0000042900000000 ] - [ -0.0014066400000000, 0.0028878200000000, 0.0024391300000000 ] - [ 0.0013098500000000, -0.0008461900000000, -0.0000002200000000 ] - [ -0.0014066400000000, -0.0028878200000000, 0.0024391300000000 ] - [ 0.0013098500000000, 0.0008461900000000, -0.0000002200000000 ] - [ -0.0004319800000000, 0.0000034300000000, 0.0000034700000000 ] - [ 0.0002980700000000, -0.0000038700000000, 0.0000023300000000 ] - [ -0.0001103800000000, 0.0000022900000000, -0.0000006300000000 ] - [ 0.0001221200000000, -0.0000041800000000, 0.0000010000000000 ] - [ -0.0004319800000000, -0.0000034300000000, 0.0000034700000000 ] - [ 0.0002980700000000, 0.0000038700000000, 0.0000023300000000 ] - [ -0.0001103800000000, -0.0000022900000000, -0.0000006300000000 ] - [ 0.0001221200000000, 0.0000041800000000, 0.0000010000000000 ] - [ -0.0002434100000000, -0.0050003100000000, -0.0006129100000000 ] - [ -0.0002428700000000, -0.0049240800000000, -0.0021412700000000 ] - [ 0.0000011400000000, -0.0047568100000000, -0.0012050700000000 ] - [ 0.0000036200000000, -0.0051785600000000, -0.0015523700000000 ] - [ 0.0010474400000000, -0.0049660400000000, 0.0013760800000000 ] - [ -0.0006420700000000, -0.0049675300000000, 0.0013772400000000 ] - [ 0.0003484600000000, -0.0049626600000000, 0.0013739200000000 ] - [ -0.0003669600000000, -0.0049659700000000, 0.0013739900000000 ] - [ 0.0229159200000000, 0.0000000000000000, -0.0193446600000000 ] - [ 0.0037659800000000, 0.0000000000000000, 0.0012619500000000 ] - [ 0.0056619700000000, 0.0000000000000000, 0.0012635300000000 ] - [ 0.0042113600000000, 0.0000000000000000, 0.0015597700000000 ] - [ 0.0139433600000000, 0.0000000000000000, 0.0232435600000000 ] - [ -0.0061726400000000, 0.0000000000000000, 0.0014855600000000 ] - [ -0.0042770200000000, 0.0000000000000000, 0.0014856300000000 ] - [ -0.0057068600000000, 0.0000000000000000, 0.0011842100000000 ] - [ 0.0010474400000000, 0.0049660400000000, 0.0013760800000000 ] - [ -0.0006420700000000, 0.0049675300000000, 0.0013772400000000 ] - [ 0.0003484600000000, 0.0049626600000000, 0.0013739200000000 ] - [ -0.0003669600000000, 0.0049659700000000, 0.0013739900000000 ] - [ -0.0002434100000000, 0.0050003100000000, -0.0006129100000000 ] - [ -0.0002428700000000, 0.0049240800000000, -0.0021412700000000 ] - [ 0.0000011400000000, 0.0047568100000000, -0.0012050700000000 ] - [ 0.0000036200000000, 0.0051785600000000, -0.0015523700000000 ] - [ -0.0043959900000000, 0.0017515200000000, -0.0016489400000000 ] - [ -0.0068876300000000, -0.0021898700000000, -0.0012706200000000 ] - [ -0.0043959900000000, -0.0017515200000000, -0.0016489400000000 ] - [ -0.0068876300000000, 0.0021898700000000, -0.0012706200000000 ] - [ 0.0055391600000000, -0.0017646400000000, -0.0010995000000000 ] - [ 0.0030412900000000, 0.0021792400000000, -0.0014917300000000 ] - [ 0.0055391600000000, 0.0017646400000000, -0.0010995000000000 ] - [ 0.0030412900000000, -0.0021792400000000, -0.0014917300000000 ] - [ 0.0028711800000000, -0.0050939900000000, -0.0012845800000000 ] - [ -0.0007356800000000, -0.0049608500000000, -0.0013744100000000 ] - [ 0.0005760200000000, -0.0049679700000000, -0.0013739300000000 ] - [ -0.0010306800000000, -0.0049643200000000, -0.0013749500000000 ] - [ -0.0016391500000000, -0.0026795000000000, 0.0005717000000000 ] - [ -0.0016520700000000, -0.0072754100000000, 0.0021925300000000 ] - [ 0.0004157600000000, -0.0049305900000000, 0.0010037600000000 ] - [ 0.0004204400000000, -0.0050204300000000, 0.0017486200000000 ] - [ 0.0051482200000000, 0.0000139700000000, 0.0013405600000000 ] - [ 0.0047997900000000, -0.0000555100000000, 0.0013515900000000 ] - [ 0.0051482200000000, -0.0000139700000000, 0.0013405600000000 ] - [ 0.0047997900000000, 0.0000555100000000, 0.0013515900000000 ] - [ -0.0047745500000000, -0.0000146900000000, 0.0014077800000000 ] - [ -0.0051230500000000, 0.0000561800000000, 0.0013947100000000 ] - [ -0.0047745500000000, 0.0000146900000000, 0.0014077800000000 ] - [ -0.0051230500000000, -0.0000561800000000, 0.0013947100000000 ] - [ -0.0016391500000000, 0.0026795000000000, 0.0005717000000000 ] - [ -0.0016520700000000, 0.0072754100000000, 0.0021925300000000 ] - [ 0.0004157600000000, 0.0049305900000000, 0.0010037600000000 ] - [ 0.0004204400000000, 0.0050204300000000, 0.0017486200000000 ] - [ 0.0028711800000000, 0.0050939900000000, -0.0012845800000000 ] - [ -0.0007356800000000, 0.0049608500000000, -0.0013744100000000 ] - [ 0.0005760200000000, 0.0049679700000000, -0.0013739300000000 ] - [ -0.0010306800000000, 0.0049643200000000, -0.0013749500000000 ] - [ -0.0045961800000000, 0.0000000000000000, -0.0015097100000000 ] - [ -0.0053295200000000, 0.0000000000000000, -0.0012634400000000 ] - [ -0.0049067600000000, 0.0000000000000000, -0.0014040700000000 ] - [ -0.0050481200000000, 0.0000000000000000, -0.0013628800000000 ] - [ 0.0053500600000000, 0.0000000000000000, -0.0012445000000000 ] - [ 0.0046140200000000, 0.0000000000000000, -0.0014912000000000 ] - [ 0.0050345300000000, 0.0000000000000000, -0.0013453400000000 ] - [ 0.0048938000000000, 0.0000000000000000, -0.0013928400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.1133293800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021722600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021721300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017310100000000 ] - [ 0.0000000000000000, -0.0018347100000000, 0.0017481200000000 ] - [ 0.0000000000000000, -0.0001040500000000, 0.0009155700000000 ] - [ 0.0000000000000000, 0.0018347100000000, 0.0017481200000000 ] - [ 0.0000000000000000, 0.0001040500000000, 0.0009155700000000 ] - [ 0.0002155900000000, -0.0002175300000000, 0.0010446900000000 ] - [ -0.0002155900000000, -0.0002175300000000, 0.0010446900000000 ] - [ 0.0002155900000000, 0.0002175300000000, 0.0010446900000000 ] - [ -0.0002155900000000, 0.0002175300000000, 0.0010446900000000 ] - [ 0.0018123500000000, 0.0000000000000000, 0.0017461000000000 ] - [ -0.0018123500000000, 0.0000000000000000, 0.0017461000000000 ] - [ 0.0001031000000000, 0.0000000000000000, 0.0009194800000000 ] - [ -0.0001031000000000, 0.0000000000000000, 0.0009194800000000 ] - [ -0.0008143400000000, 0.0000000000000000, 0.0017626200000000 ] - [ 0.0000979000000000, 0.0000000000000000, 0.0004622500000000 ] - [ -0.0001876900000000, 0.0000000000000000, 0.0002208000000000 ] - [ -0.0002228100000000, 0.0000000000000000, 0.0001765900000000 ] - [ 0.0008143400000000, 0.0000000000000000, 0.0017626200000000 ] - [ -0.0000979000000000, 0.0000000000000000, 0.0004622500000000 ] - [ 0.0001876900000000, 0.0000000000000000, 0.0002208000000000 ] - [ 0.0002228100000000, 0.0000000000000000, 0.0001765900000000 ] - [ -0.0041711000000000, 0.0046361700000000, -0.0002265300000000 ] - [ 0.0041711000000000, 0.0046361700000000, -0.0002265300000000 ] - [ -0.0000009300000000, -0.0016136800000000, -0.0003090000000000 ] - [ 0.0000009300000000, -0.0016136800000000, -0.0003090000000000 ] - [ -0.0041711000000000, -0.0046361700000000, -0.0002265300000000 ] - [ 0.0041711000000000, -0.0046361700000000, -0.0002265300000000 ] - [ -0.0000009300000000, 0.0016136800000000, -0.0003090000000000 ] - [ 0.0000009300000000, 0.0016136800000000, -0.0003090000000000 ] - [ -0.0046467300000000, 0.0041405000000000, -0.0002431300000000 ] - [ 0.0016191900000000, -0.0000027000000000, -0.0003079600000000 ] - [ -0.0046467300000000, -0.0041405000000000, -0.0002431300000000 ] - [ 0.0016191900000000, 0.0000027000000000, -0.0003079600000000 ] - [ 0.0046467300000000, 0.0041405000000000, -0.0002431300000000 ] - [ -0.0016191900000000, -0.0000027000000000, -0.0003079600000000 ] - [ 0.0046467300000000, -0.0041405000000000, -0.0002431300000000 ] - [ -0.0016191900000000, 0.0000027000000000, -0.0003079600000000 ] - [ 0.0000000000000000, 0.0007970200000000, 0.0017502100000000 ] - [ 0.0000000000000000, 0.0001856100000000, 0.0002202900000000 ] - [ 0.0000000000000000, -0.0000941300000000, 0.0004639200000000 ] - [ 0.0000000000000000, 0.0002242800000000, 0.0001770100000000 ] - [ 0.0000000000000000, -0.0007970200000000, 0.0017502100000000 ] - [ 0.0000000000000000, -0.0001856100000000, 0.0002202900000000 ] - [ 0.0000000000000000, 0.0000941300000000, 0.0004639200000000 ] - [ 0.0000000000000000, -0.0002242800000000, 0.0001770100000000 ] - [ 0.0001920300000000, -0.0046630600000000, -0.0020266800000000 ] - [ -0.0001920300000000, -0.0046630600000000, -0.0020266800000000 ] - [ -0.0000312000000000, -0.0049237100000000, -0.0016428600000000 ] - [ 0.0000312000000000, -0.0049237100000000, -0.0016428600000000 ] - [ 0.0000000000000000, -0.0050340600000000, 0.0003137900000000 ] - [ 0.0000000000000000, -0.0049794300000000, 0.0010408500000000 ] - [ 0.0000000000000000, -0.0052504100000000, 0.0009423100000000 ] - [ 0.0000000000000000, -0.0052075800000000, 0.0010221200000000 ] - [ -0.0189746400000000, 0.0000000000000000, 0.0282161000000000 ] - [ 0.0043228900000000, 0.0000000000000000, 0.0016077900000000 ] - [ 0.0043051000000000, 0.0000000000000000, 0.0018116700000000 ] - [ 0.0045115500000000, 0.0000000000000000, 0.0016684200000000 ] - [ 0.0189746400000000, 0.0000000000000000, 0.0282161000000000 ] - [ -0.0043228900000000, 0.0000000000000000, 0.0016077900000000 ] - [ -0.0043051000000000, 0.0000000000000000, 0.0018116700000000 ] - [ -0.0045115500000000, 0.0000000000000000, 0.0016684200000000 ] - [ 0.0000000000000000, 0.0050340600000000, 0.0003137900000000 ] - [ 0.0000000000000000, 0.0049794300000000, 0.0010408500000000 ] - [ 0.0000000000000000, 0.0052504100000000, 0.0009423100000000 ] - [ 0.0000000000000000, 0.0052075800000000, 0.0010221200000000 ] - [ 0.0001920300000000, 0.0046630600000000, -0.0020266800000000 ] - [ -0.0001920300000000, 0.0046630600000000, -0.0020266800000000 ] - [ -0.0000312000000000, 0.0049237100000000, -0.0016428600000000 ] - [ 0.0000312000000000, 0.0049237100000000, -0.0016428600000000 ] - [ -0.0051099800000000, 0.0016440300000000, -0.0010204000000000 ] - [ -0.0040855000000000, 0.0019047500000000, -0.0011365000000000 ] - [ -0.0051099800000000, -0.0016440300000000, -0.0010204000000000 ] - [ -0.0040855000000000, -0.0019047500000000, -0.0011365000000000 ] - [ 0.0051099800000000, 0.0016440300000000, -0.0010204000000000 ] - [ 0.0040855000000000, 0.0019047500000000, -0.0011365000000000 ] - [ 0.0051099800000000, -0.0016440300000000, -0.0010204000000000 ] - [ 0.0040855000000000, -0.0019047500000000, -0.0011365000000000 ] - [ 0.0000000000000000, -0.0276378400000000, 0.0247360300000000 ] - [ 0.0000000000000000, -0.0056150300000000, -0.0009383400000000 ] - [ 0.0000000000000000, -0.0055948400000000, -0.0011393100000000 ] - [ 0.0000000000000000, -0.0054076100000000, -0.0010801600000000 ] - [ -0.0016501100000000, -0.0048152600000000, 0.0017275900000000 ] - [ 0.0016501100000000, -0.0048152600000000, 0.0017275900000000 ] - [ -0.0019146400000000, -0.0058371300000000, 0.0016187800000000 ] - [ 0.0019146400000000, -0.0058371300000000, 0.0016187800000000 ] - [ 0.0052535900000000, -0.0001886400000000, 0.0007206800000000 ] - [ 0.0049941200000000, 0.0000321900000000, 0.0011052000000000 ] - [ 0.0052535900000000, 0.0001886400000000, 0.0007206800000000 ] - [ 0.0049941200000000, -0.0000321900000000, 0.0011052000000000 ] - [ -0.0052535900000000, -0.0001886400000000, 0.0007206800000000 ] - [ -0.0049941200000000, 0.0000321900000000, 0.0011052000000000 ] - [ -0.0052535900000000, 0.0001886400000000, 0.0007206800000000 ] - [ -0.0049941200000000, -0.0000321900000000, 0.0011052000000000 ] - [ -0.0016501100000000, 0.0048152600000000, 0.0017275900000000 ] - [ 0.0016501100000000, 0.0048152600000000, 0.0017275900000000 ] - [ -0.0019146400000000, 0.0058371300000000, 0.0016187800000000 ] - [ 0.0019146400000000, 0.0058371300000000, 0.0016187800000000 ] - [ 0.0000000000000000, 0.0276378400000000, 0.0247360300000000 ] - [ 0.0000000000000000, 0.0056150300000000, -0.0009383400000000 ] - [ 0.0000000000000000, 0.0055948400000000, -0.0011393100000000 ] - [ 0.0000000000000000, 0.0054076100000000, -0.0010801600000000 ] - [ -0.0048836000000000, 0.0000000000000000, -0.0024269100000000 ] - [ -0.0046694000000000, 0.0000000000000000, -0.0018063100000000 ] - [ -0.0049364600000000, 0.0000000000000000, -0.0017089300000000 ] - [ -0.0047101600000000, 0.0000000000000000, -0.0017274800000000 ] - [ 0.0048836000000000, 0.0000000000000000, -0.0024269100000000 ] - [ 0.0046694000000000, 0.0000000000000000, -0.0018063100000000 ] - [ 0.0049364600000000, 0.0000000000000000, -0.0017089300000000 ] - [ 0.0047101600000000, 0.0000000000000000, -0.0017274800000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0009079400000000, 0.0000000000000000, -0.0008055800000000 ] - [ 0.0009374600000000, 0.0000000000000000, 0.0000956400000000 ] - [ -0.0003109900000000, 0.0000000000000000, -0.0001839100000000 ] - [ 0.0003134400000000, 0.0000000000000000, -0.0002212200000000 ] - [ -0.0014221800000000, -0.0067730300000000, -0.0046472700000000 ] - [ 0.0013120000000000, 0.0016520300000000, 0.0016057600000000 ] - [ -0.0014221800000000, 0.0067730300000000, -0.0046472700000000 ] - [ 0.0013120000000000, -0.0016520300000000, 0.0016057600000000 ] - [ -0.0014267000000000, 0.0067608200000000, -0.0046504900000000 ] - [ 0.0013010300000000, -0.0016634500000000, 0.0016090100000000 ] - [ -0.0014267000000000, -0.0067608200000000, -0.0046504900000000 ] - [ 0.0013010300000000, 0.0016634500000000, 0.0016090100000000 ] - [ -0.0009016800000000, 0.0000000000000000, -0.0008058200000000 ] - [ 0.0009386400000000, 0.0000000000000000, 0.0000974900000000 ] - [ -0.0003091600000000, 0.0000000000000000, -0.0001858100000000 ] - [ 0.0003123000000000, 0.0000000000000000, -0.0002232300000000 ] - [ -0.3601936100000000, 0.0000000000000000, -0.0173179800000000 ] - [ 0.0101018800000000, 0.0000000000000000, 0.0003974600000000 ] - [ -0.0030941600000000, 0.0000000000000000, -0.0007026600000000 ] - [ 0.0019723800000000, 0.0000000000000000, 0.0004005700000000 ] - [ 0.0468570100000000, 0.0000000000000000, 0.0023844700000000 ] - [ 0.0461445300000000, 0.0000000000000000, 0.0023879000000000 ] - [ 0.0004025800000000, 0.0000000000000000, -0.0000838200000000 ] - [ 0.0004081200000000, 0.0000000000000000, -0.0000873600000000 ] - [ -0.0008783600000000, -0.0014322500000000, 0.0042103300000000 ] - [ 0.0011881600000000, 0.0003159900000000, -0.0005114400000000 ] - [ -0.0004379700000000, 0.0003119400000000, 0.0004236200000000 ] - [ 0.0004684400000000, -0.0005450500000000, 0.0000703800000000 ] - [ -0.0008783600000000, 0.0014322500000000, 0.0042103300000000 ] - [ 0.0011881600000000, -0.0003159900000000, -0.0005114400000000 ] - [ -0.0004379700000000, -0.0003119400000000, 0.0004236200000000 ] - [ 0.0004684400000000, 0.0005450500000000, 0.0000703800000000 ] - [ 0.0000408400000000, -0.0001310800000000, -0.0001074200000000 ] - [ 0.0000422100000000, 0.0001292200000000, -0.0001057300000000 ] - [ 0.0000408400000000, 0.0001310800000000, -0.0001074200000000 ] - [ 0.0000422100000000, -0.0001292200000000, -0.0001057300000000 ] - [ -0.0004986300000000, 0.0000006900000000, 0.0001005400000000 ] - [ 0.0004345000000000, -0.0000027400000000, -0.0002367100000000 ] - [ -0.0004986300000000, -0.0000006900000000, 0.0001005400000000 ] - [ 0.0004345000000000, 0.0000027400000000, -0.0002367100000000 ] - [ -0.0008926600000000, -0.0014436600000000, 0.0042155800000000 ] - [ 0.0011852000000000, 0.0003089800000000, -0.0005137100000000 ] - [ -0.0004369500000000, 0.0003079600000000, 0.0004228100000000 ] - [ 0.0004690800000000, -0.0005409300000000, 0.0000694700000000 ] - [ -0.0008926600000000, 0.0014436600000000, 0.0042155800000000 ] - [ 0.0011852000000000, -0.0003089800000000, -0.0005137100000000 ] - [ -0.0004369500000000, -0.0003079600000000, 0.0004228100000000 ] - [ 0.0004690800000000, 0.0005409300000000, 0.0000694700000000 ] - [ 0.0698771800000000, 0.0386711300000000, 0.0018401700000000 ] - [ -0.0070315900000000, -0.0037204900000000, -0.0021681900000000 ] - [ 0.0011432500000000, -0.0025938400000000, -0.0016838800000000 ] - [ -0.0009115900000000, -0.0055066300000000, -0.0014533700000000 ] - [ 0.0725821700000000, -0.0513405600000000, 0.0047882400000000 ] - [ -0.0070407800000000, -0.0062202200000000, 0.0005877800000000 ] - [ 0.0011467600000000, -0.0073368000000000, 0.0010601000000000 ] - [ -0.0009156800000000, -0.0044205000000000, 0.0012964400000000 ] - [ 0.0064494600000000, 0.0000000000000000, 0.0018432400000000 ] - [ 0.0041289700000000, 0.0000000000000000, 0.0014457000000000 ] - [ 0.0052188600000000, 0.0000000000000000, 0.0013749100000000 ] - [ 0.0045442700000000, 0.0000000000000000, 0.0012999300000000 ] - [ -0.0060074800000000, 0.0000000000000000, 0.0026760100000000 ] - [ -0.0051058400000000, 0.0000000000000000, -0.0003161500000000 ] - [ -0.0048219500000000, 0.0000000000000000, 0.0015470800000000 ] - [ -0.0049514900000000, 0.0000000000000000, 0.0011205900000000 ] - [ 0.0725821700000000, 0.0513405600000000, 0.0047882400000000 ] - [ -0.0070407800000000, 0.0062202200000000, 0.0005877800000000 ] - [ 0.0011467600000000, 0.0073368000000000, 0.0010601000000000 ] - [ -0.0009156800000000, 0.0044205000000000, 0.0012964400000000 ] - [ 0.0698771800000000, -0.0386711300000000, 0.0018401700000000 ] - [ -0.0070315900000000, 0.0037204900000000, -0.0021681900000000 ] - [ 0.0011432500000000, 0.0025938400000000, -0.0016838800000000 ] - [ -0.0009115900000000, 0.0055066300000000, -0.0014533700000000 ] - [ -0.0059332500000000, 0.0008112900000000, -0.0003789000000000 ] - [ -0.0047623700000000, -0.0004088300000000, -0.0020181000000000 ] - [ -0.0059332500000000, -0.0008112900000000, -0.0003789000000000 ] - [ -0.0047623700000000, 0.0004088300000000, -0.0020181000000000 ] - [ 0.0064826700000000, -0.0000025300000000, -0.0011624900000000 ] - [ 0.0041820000000000, 0.0001200200000000, -0.0016038100000000 ] - [ 0.0064826700000000, 0.0000025300000000, -0.0011624900000000 ] - [ 0.0041820000000000, -0.0001200200000000, -0.0016038100000000 ] - [ 0.0002676200000000, -0.0051563100000000, -0.0014052700000000 ] - [ -0.0002903100000000, -0.0048073500000000, -0.0012551000000000 ] - [ 0.0001874900000000, -0.0050013000000000, -0.0013260300000000 ] - [ -0.0001771700000000, -0.0049785300000000, -0.0012344600000000 ] - [ 0.0002675100000000, -0.0047655700000000, 0.0013429300000000 ] - [ -0.0002907000000000, -0.0051143100000000, 0.0014935100000000 ] - [ 0.0001865800000000, -0.0049184500000000, 0.0014217800000000 ] - [ -0.0001764800000000, -0.0049420300000000, 0.0015136000000000 ] - [ 0.0051615900000000, 0.0004086800000000, 0.0007307100000000 ] - [ 0.0039826000000000, -0.0008092300000000, 0.0023723300000000 ] - [ 0.0051615900000000, -0.0004086800000000, 0.0007307100000000 ] - [ 0.0039826000000000, 0.0008092300000000, 0.0023723300000000 ] - [ -0.0034362000000000, 0.0000020900000000, 0.0015893000000000 ] - [ -0.0057392500000000, -0.0001144200000000, 0.0011448200000000 ] - [ -0.0034362000000000, -0.0000020900000000, 0.0015893000000000 ] - [ -0.0057392500000000, 0.0001144200000000, 0.0011448200000000 ] - [ 0.0002675100000000, 0.0047655700000000, 0.0013429300000000 ] - [ -0.0002907000000000, 0.0051143100000000, 0.0014935100000000 ] - [ 0.0001865800000000, 0.0049184500000000, 0.0014217800000000 ] - [ -0.0001764800000000, 0.0049420300000000, 0.0015136000000000 ] - [ 0.0002676200000000, 0.0051563100000000, -0.0014052700000000 ] - [ -0.0002903100000000, 0.0048073500000000, -0.0012551000000000 ] - [ 0.0001874900000000, 0.0050013000000000, -0.0013260300000000 ] - [ -0.0001771700000000, 0.0049785300000000, -0.0012344600000000 ] - [ -0.0034783500000000, 0.0000000000000000, -0.0009075300000000 ] - [ -0.0057934100000000, 0.0000000000000000, -0.0013037200000000 ] - [ -0.0047042700000000, 0.0000000000000000, -0.0013710000000000 ] - [ -0.0053772300000000, 0.0000000000000000, -0.0014473200000000 ] - [ 0.0048184000000000, 0.0000000000000000, -0.0030835600000000 ] - [ 0.0039193300000000, 0.0000000000000000, -0.0000880600000000 ] - [ 0.0049718200000000, 0.0000000000000000, -0.0016287300000000 ] - [ 0.0050979800000000, 0.0000000000000000, -0.0012011900000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000018100000000, -0.0004335100000000, -0.0000001100000000 ] - [ -0.0000039500000000, -0.0001113200000000, 0.0000008000000000 ] - [ 0.0000015400000000, 0.0002969400000000, 0.0000010000000000 ] - [ -0.0000019700000000, 0.0001205200000000, 0.0000004800000000 ] - [ -0.0028480900000000, 0.0071352100000000, 0.0041506100000000 ] - [ 0.0008460700000000, 0.0000832900000000, 0.0000158400000000 ] - [ 0.0029385300000000, 0.0072072400000000, -0.0041926700000000 ] - [ -0.0008450300000000, 0.0000624400000000, 0.0000070000000000 ] - [ 0.0028480900000000, 0.0071352100000000, -0.0041506100000000 ] - [ -0.0008460700000000, 0.0000832900000000, -0.0000158400000000 ] - [ -0.0029385300000000, 0.0072072400000000, 0.0041926700000000 ] - [ 0.0008450300000000, 0.0000624400000000, -0.0000070000000000 ] - [ -0.0000018100000000, -0.0004335100000000, 0.0000001100000000 ] - [ 0.0000039500000000, -0.0001113200000000, -0.0000008000000000 ] - [ -0.0000015400000000, 0.0002969400000000, -0.0000010000000000 ] - [ 0.0000019700000000, 0.0001205200000000, -0.0000004800000000 ] - [ 0.0000000000000000, -0.2875070100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000116400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0007488800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001204000000000, 0.0000000000000000 ] - [ -0.0001555500000000, -0.0102712300000000, -0.0000213800000000 ] - [ 0.0001555500000000, -0.0102712300000000, 0.0000213800000000 ] - [ 0.0000112200000000, 0.0005936200000000, -0.0000021800000000 ] - [ -0.0000112200000000, 0.0005936200000000, 0.0000021800000000 ] - [ -0.0014443100000000, -0.0008919900000000, -0.0036998200000000 ] - [ 0.0004115000000000, -0.0004354800000000, -0.0001608200000000 ] - [ 0.0004041900000000, 0.0011834200000000, -0.0000729800000000 ] - [ -0.0002572700000000, 0.0004708000000000, -0.0001446600000000 ] - [ 0.0014372800000000, -0.0008870600000000, 0.0036853300000000 ] - [ -0.0004074600000000, -0.0004411000000000, 0.0001715500000000 ] - [ -0.0004148000000000, 0.0011904600000000, 0.0000745400000000 ] - [ 0.0002572600000000, 0.0004650500000000, 0.0001456300000000 ] - [ -0.0001272100000000, -0.0000052100000000, -0.0000147600000000 ] - [ 0.0001272100000000, -0.0000052100000000, 0.0000147600000000 ] - [ 0.0001315100000000, -0.0000010400000000, 0.0000173800000000 ] - [ -0.0001315100000000, -0.0000010400000000, -0.0000173800000000 ] - [ 0.0000000000000000, 0.0000522900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000181800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000568600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000217200000000, 0.0000000000000000 ] - [ -0.0014372800000000, -0.0008870600000000, -0.0036853300000000 ] - [ 0.0004074600000000, -0.0004411000000000, -0.0001715500000000 ] - [ 0.0004148000000000, 0.0011904600000000, -0.0000745400000000 ] - [ -0.0002572600000000, 0.0004650500000000, -0.0001456300000000 ] - [ 0.0014443100000000, -0.0008919900000000, 0.0036998200000000 ] - [ -0.0004115000000000, -0.0004354800000000, 0.0001608200000000 ] - [ -0.0004041900000000, 0.0011834200000000, 0.0000729800000000 ] - [ 0.0002572700000000, 0.0004708000000000, 0.0001446600000000 ] - [ 0.0428408800000000, 0.0624468600000000, -0.0003257700000000 ] - [ -0.0008808300000000, -0.0032840000000000, -0.0014283400000000 ] - [ 0.0000591000000000, -0.0058070500000000, -0.0012439300000000 ] - [ -0.0001445300000000, -0.0050734000000000, -0.0013740100000000 ] - [ -0.0428408800000000, 0.0624468600000000, 0.0003257700000000 ] - [ 0.0008808300000000, -0.0032840000000000, 0.0014283400000000 ] - [ -0.0000591000000000, -0.0058070500000000, 0.0012439300000000 ] - [ 0.0001445300000000, -0.0050734000000000, 0.0013740100000000 ] - [ 0.0049577100000000, 0.0011909600000000, 0.0013797700000000 ] - [ 0.0049616200000000, 0.0001829900000000, 0.0013705800000000 ] - [ 0.0049619600000000, -0.0005133900000000, 0.0013735300000000 ] - [ 0.0049628100000000, -0.0003507500000000, 0.0013728000000000 ] - [ -0.0049666600000000, 0.0008315000000000, 0.0013800800000000 ] - [ -0.0049608700000000, 0.0012826700000000, 0.0013798100000000 ] - [ -0.0049634000000000, -0.0002582300000000, 0.0013741300000000 ] - [ -0.0049595100000000, -0.0006703400000000, 0.0013737900000000 ] - [ 0.0451723900000000, 0.0746384800000000, 0.0025363600000000 ] - [ -0.0009432900000000, 0.0066762600000000, 0.0013077100000000 ] - [ 0.0000362100000000, 0.0041243400000000, 0.0015068400000000 ] - [ -0.0001425200000000, 0.0048415700000000, 0.0013738200000000 ] - [ -0.0451723900000000, 0.0746384800000000, -0.0025363600000000 ] - [ 0.0009432900000000, 0.0066762600000000, -0.0013077100000000 ] - [ -0.0000362100000000, 0.0041243400000000, -0.0015068400000000 ] - [ 0.0001425200000000, 0.0048415700000000, -0.0013738200000000 ] - [ -0.0039568500000000, -0.0003022900000000, -0.0019123100000000 ] - [ -0.0049523900000000, -0.0000723700000000, -0.0017868700000000 ] - [ -0.0059659300000000, -0.0003013100000000, -0.0008426800000000 ] - [ -0.0049612600000000, -0.0000730500000000, -0.0009656600000000 ] - [ 0.0038537200000000, -0.0008527800000000, -0.0025631300000000 ] - [ 0.0050082600000000, 0.0000568700000000, -0.0013639800000000 ] - [ 0.0060820500000000, -0.0008599700000000, -0.0001665100000000 ] - [ 0.0049126800000000, 0.0000583100000000, -0.0013889000000000 ] - [ -0.0000466700000000, -0.0048484000000000, -0.0014969800000000 ] - [ 0.0000531000000000, -0.0048840200000000, -0.0014046400000000 ] - [ 0.0000657400000000, -0.0050810900000000, -0.0013334900000000 ] - [ -0.0000442300000000, -0.0050348500000000, -0.0013358400000000 ] - [ 0.0000466700000000, -0.0048484000000000, 0.0014969800000000 ] - [ -0.0000531000000000, -0.0048840200000000, 0.0014046400000000 ] - [ -0.0000657400000000, -0.0050810900000000, 0.0013334900000000 ] - [ 0.0000442300000000, -0.0050348500000000, 0.0013358400000000 ] - [ 0.0049523900000000, -0.0000723700000000, 0.0017868700000000 ] - [ 0.0039568500000000, -0.0003022900000000, 0.0019123100000000 ] - [ 0.0049612600000000, -0.0000730500000000, 0.0009656600000000 ] - [ 0.0059659300000000, -0.0003013100000000, 0.0008426800000000 ] - [ -0.0038537200000000, -0.0008527800000000, 0.0025631300000000 ] - [ -0.0050082600000000, 0.0000568700000000, 0.0013639800000000 ] - [ -0.0060820500000000, -0.0008599700000000, 0.0001665100000000 ] - [ -0.0049126800000000, 0.0000583100000000, 0.0013889000000000 ] - [ -0.0000439900000000, 0.0050766200000000, 0.0012520800000000 ] - [ 0.0000510500000000, 0.0050384500000000, 0.0013416700000000 ] - [ 0.0000679500000000, 0.0048411300000000, 0.0014150900000000 ] - [ -0.0000455300000000, 0.0048877600000000, 0.0014110300000000 ] - [ 0.0000439900000000, 0.0050766200000000, -0.0012520800000000 ] - [ -0.0000510500000000, 0.0050384500000000, -0.0013416700000000 ] - [ -0.0000679500000000, 0.0048411300000000, -0.0014150900000000 ] - [ 0.0000455300000000, 0.0048877600000000, -0.0014110300000000 ] - [ -0.0049577100000000, 0.0011909600000000, -0.0013797700000000 ] - [ -0.0049616200000000, 0.0001829900000000, -0.0013705800000000 ] - [ -0.0049619600000000, -0.0005133900000000, -0.0013735300000000 ] - [ -0.0049628100000000, -0.0003507500000000, -0.0013728000000000 ] - [ 0.0049608700000000, 0.0012826700000000, -0.0013798100000000 ] - [ 0.0049666600000000, 0.0008315000000000, -0.0013800800000000 ] - [ 0.0049595100000000, -0.0006703400000000, -0.0013737900000000 ] - [ 0.0049634000000000, -0.0002582300000000, -0.0013741300000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0018109700000000, 0.0000000000000000, 0.0017578300000000 ] - [ 0.0005364600000000, 0.0000000000000000, 0.0004611700000000 ] - [ -0.0002173700000000, 0.0000000000000000, 0.0002194600000000 ] - [ 0.0002433200000000, 0.0000000000000000, 0.0001807000000000 ] - [ -0.0024260200000000, 0.0020032500000000, -0.0002074400000000 ] - [ 0.0000032100000000, -0.0001889400000000, -0.0002932200000000 ] - [ -0.0024260200000000, -0.0020032500000000, -0.0002074400000000 ] - [ 0.0000032100000000, 0.0001889400000000, -0.0002932200000000 ] - [ -0.0024461700000000, -0.0019982200000000, -0.0002525500000000 ] - [ -0.0000006200000000, 0.0002055000000000, -0.0003143500000000 ] - [ -0.0024461700000000, 0.0019982200000000, -0.0002525500000000 ] - [ -0.0000006200000000, -0.0002055000000000, -0.0003143500000000 ] - [ -0.0018476300000000, 0.0000000000000000, 0.0017703900000000 ] - [ 0.0005421100000000, 0.0000000000000000, 0.0004607800000000 ] - [ -0.0002176100000000, 0.0000000000000000, 0.0002235400000000 ] - [ 0.0002438800000000, 0.0000000000000000, 0.0001810800000000 ] - [ -0.0173063500000000, 0.0000000000000000, -0.0646918200000000 ] - [ 0.0003929200000000, 0.0000000000000000, 0.0003576300000000 ] - [ -0.0006987200000000, 0.0000000000000000, -0.0006953900000000 ] - [ 0.0003975900000000, 0.0000000000000000, -0.0000101800000000 ] - [ -0.0024716300000000, 0.0000000000000000, -0.0014283800000000 ] - [ -0.0022937700000000, 0.0000000000000000, -0.0014576000000000 ] - [ 0.0000874100000000, 0.0000000000000000, -0.0002727200000000 ] - [ 0.0000832800000000, 0.0000000000000000, -0.0002702600000000 ] - [ 0.0036706200000000, -0.0041909700000000, 0.0026388900000000 ] - [ 0.0000709200000000, -0.0004240500000000, -0.0001069400000000 ] - [ 0.0001677200000000, 0.0005015800000000, -0.0001077300000000 ] - [ 0.0001452400000000, -0.0000672100000000, 0.0000883100000000 ] - [ 0.0036706200000000, 0.0041909700000000, 0.0026388900000000 ] - [ 0.0000709200000000, 0.0004240500000000, -0.0001069400000000 ] - [ 0.0001677200000000, -0.0005015800000000, -0.0001077300000000 ] - [ 0.0001452400000000, 0.0000672100000000, 0.0000883100000000 ] - [ -0.0001040800000000, -0.0000163500000000, 0.0000322100000000 ] - [ -0.0001108700000000, 0.0000140100000000, 0.0000298100000000 ] - [ -0.0001040800000000, 0.0000163500000000, 0.0000322100000000 ] - [ -0.0001108700000000, -0.0000140100000000, 0.0000298100000000 ] - [ -0.0000961700000000, -0.0000040500000000, 0.0004755100000000 ] - [ 0.0002356100000000, 0.0000013000000000, -0.0000276600000000 ] - [ -0.0000961700000000, 0.0000040500000000, 0.0004755100000000 ] - [ 0.0002356100000000, -0.0000013000000000, -0.0000276600000000 ] - [ 0.0037328600000000, -0.0042538900000000, 0.0026659100000000 ] - [ 0.0000700200000000, -0.0004292400000000, -0.0001127300000000 ] - [ 0.0001702800000000, 0.0005098800000000, -0.0001105200000000 ] - [ 0.0001433600000000, -0.0000768800000000, 0.0000871300000000 ] - [ 0.0037328600000000, 0.0042538900000000, 0.0026659100000000 ] - [ 0.0000700200000000, 0.0004292400000000, -0.0001127300000000 ] - [ 0.0001702800000000, -0.0005098800000000, -0.0001105200000000 ] - [ 0.0001433600000000, 0.0000768800000000, 0.0000871300000000 ] - [ 0.0064834800000000, -0.0011213700000000, 0.0120911100000000 ] - [ 0.0000606600000000, -0.0048463400000000, -0.0014850500000000 ] - [ 0.0003297100000000, -0.0043681300000000, -0.0011578600000000 ] - [ -0.0002450300000000, -0.0049388100000000, -0.0012974700000000 ] - [ 0.0064938600000000, -0.0087371700000000, 0.0147478800000000 ] - [ 0.0000548700000000, -0.0051111000000000, 0.0012656300000000 ] - [ 0.0003268400000000, -0.0055708800000000, 0.0015952400000000 ] - [ -0.0002460100000000, -0.0049952000000000, 0.0014531000000000 ] - [ 0.0022505100000000, 0.0000000000000000, 0.0013154600000000 ] - [ 0.0047533600000000, 0.0000000000000000, 0.0013827900000000 ] - [ 0.0051887800000000, 0.0000000000000000, 0.0013147000000000 ] - [ 0.0048058100000000, 0.0000000000000000, 0.0013343500000000 ] - [ -0.0041989700000000, 0.0000000000000000, 0.0012779100000000 ] - [ -0.0057373900000000, 0.0000000000000000, 0.0013830400000000 ] - [ -0.0049317200000000, 0.0000000000000000, 0.0014013400000000 ] - [ -0.0052527300000000, 0.0000000000000000, 0.0013846800000000 ] - [ 0.0064938600000000, 0.0087371700000000, 0.0147478800000000 ] - [ 0.0000548700000000, 0.0051111000000000, 0.0012656300000000 ] - [ 0.0003268400000000, 0.0055708800000000, 0.0015952400000000 ] - [ -0.0002460100000000, 0.0049952000000000, 0.0014531000000000 ] - [ 0.0064834800000000, 0.0011213700000000, 0.0120911100000000 ] - [ 0.0000606600000000, 0.0048463400000000, -0.0014850500000000 ] - [ 0.0003297100000000, 0.0043681300000000, -0.0011578600000000 ] - [ -0.0002450300000000, 0.0049388100000000, -0.0012974700000000 ] - [ -0.0053453200000000, 0.0002271200000000, -0.0008010600000000 ] - [ -0.0052052300000000, -0.0003654500000000, -0.0010201900000000 ] - [ -0.0053453200000000, -0.0002271200000000, -0.0008010600000000 ] - [ -0.0052052300000000, 0.0003654500000000, -0.0010201900000000 ] - [ 0.0050526400000000, -0.0008075900000000, -0.0015558700000000 ] - [ 0.0048452000000000, -0.0000838600000000, -0.0013642700000000 ] - [ 0.0050526400000000, 0.0008075900000000, -0.0015558700000000 ] - [ 0.0048452000000000, 0.0000838600000000, -0.0013642700000000 ] - [ 0.0001517400000000, -0.0048599400000000, -0.0018502900000000 ] - [ -0.0000936600000000, -0.0048602900000000, -0.0014832700000000 ] - [ 0.0000724600000000, -0.0049838500000000, -0.0015294100000000 ] - [ -0.0000778900000000, -0.0049396100000000, -0.0013861700000000 ] - [ 0.0001571100000000, -0.0050667300000000, 0.0009015200000000 ] - [ -0.0000965100000000, -0.0050676800000000, 0.0012656500000000 ] - [ 0.0000751300000000, -0.0049678900000000, 0.0012249400000000 ] - [ -0.0000803800000000, -0.0050013000000000, 0.0013629400000000 ] - [ 0.0047229600000000, 0.0003688500000000, 0.0017327400000000 ] - [ 0.0045970100000000, -0.0002277200000000, 0.0019491500000000 ] - [ 0.0047229600000000, -0.0003688500000000, 0.0017327400000000 ] - [ 0.0045970100000000, 0.0002277200000000, 0.0019491500000000 ] - [ -0.0048711400000000, 0.0008201400000000, 0.0011952100000000 ] - [ -0.0050902200000000, 0.0000796300000000, 0.0013880300000000 ] - [ -0.0048711400000000, -0.0008201400000000, 0.0011952100000000 ] - [ -0.0050902200000000, -0.0000796300000000, 0.0013880300000000 ] - [ 0.0001571100000000, 0.0050667300000000, 0.0009015200000000 ] - [ -0.0000965100000000, 0.0050676800000000, 0.0012656500000000 ] - [ 0.0000751300000000, 0.0049678900000000, 0.0012249400000000 ] - [ -0.0000803800000000, 0.0050013000000000, 0.0013629400000000 ] - [ 0.0001517400000000, 0.0048599400000000, -0.0018502900000000 ] - [ -0.0000936600000000, 0.0048602900000000, -0.0014832700000000 ] - [ 0.0000724600000000, 0.0049838500000000, -0.0015294100000000 ] - [ -0.0000778900000000, 0.0049396100000000, -0.0013861700000000 ] - [ -0.0077097100000000, 0.0000000000000000, -0.0012921000000000 ] - [ -0.0051742200000000, 0.0000000000000000, -0.0013600400000000 ] - [ -0.0047455500000000, 0.0000000000000000, -0.0014328700000000 ] - [ -0.0051271300000000, 0.0000000000000000, -0.0014119800000000 ] - [ 0.0041913900000000, 0.0000000000000000, -0.0013642800000000 ] - [ 0.0057495400000000, 0.0000000000000000, -0.0014689200000000 ] - [ 0.0046740100000000, 0.0000000000000000, -0.0013567400000000 ] - [ 0.0050047200000000, 0.0000000000000000, -0.0013472900000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002380200000000, -0.0000129800000000, 0.0001888200000000 ] - [ -0.0002508500000000, 0.0000148800000000, -0.0001913900000000 ] - [ 0.0000033100000000, 0.0000549000000000, -0.0000296500000000 ] - [ 0.0000013700000000, -0.0000562200000000, 0.0000316500000000 ] - [ -0.0016524600000000, 0.0017688400000000, 0.0016569100000000 ] - [ -0.0016395300000000, -0.0017512100000000, -0.0016350400000000 ] - [ 0.0004217300000000, -0.0021946600000000, 0.0019259800000000 ] - [ 0.0004130200000000, 0.0021714000000000, -0.0018952200000000 ] - [ 0.0028700900000000, 0.0000427100000000, -0.0000522800000000 ] - [ -0.0007375300000000, 0.0000060300000000, -0.0000056700000000 ] - [ 0.0005773800000000, -0.0000124500000000, -0.0000138700000000 ] - [ -0.0010341900000000, -0.0000058300000000, -0.0000070900000000 ] - [ 0.0010481500000000, 0.0000010300000000, 0.0000041800000000 ] - [ -0.0006431800000000, 0.0000001200000000, -0.0000004900000000 ] - [ 0.0003486300000000, -0.0000013400000000, -0.0000010600000000 ] - [ -0.0003689200000000, -0.0000008900000000, -0.0000014900000000 ] - [ 0.0724622000000000, 0.0450669600000000, 0.0065910500000000 ] - [ -0.0070198800000000, -0.0009054400000000, 0.0000601900000000 ] - [ 0.0011512800000000, 0.0000516800000000, 0.0003314500000000 ] - [ -0.0009167700000000, -0.0001398200000000, -0.0002466400000000 ] - [ -0.0070538900000000, 0.0009215900000000, -0.0000530100000000 ] - [ 0.0699949100000000, -0.0429511200000000, -0.0063908800000000 ] - [ -0.0009108000000000, 0.0001469600000000, 0.0002470200000000 ] - [ 0.0011356400000000, -0.0000428400000000, -0.0003262300000000 ] - [ 0.0012828600000000, 0.0000170100000000, 0.0000010200000000 ] - [ -0.0006690700000000, 0.0000039100000000, 0.0000013300000000 ] - [ 0.0008324500000000, -0.0000009800000000, -0.0000019000000000 ] - [ -0.0002575800000000, 0.0000012600000000, 0.0000015300000000 ] - [ 0.0011913000000000, -0.0000114100000000, -0.0000028300000000 ] - [ -0.0005128800000000, -0.0000007100000000, 0.0000027200000000 ] - [ 0.0001835800000000, -0.0000055900000000, -0.0000007000000000 ] - [ -0.0003500100000000, -0.0000045300000000, -0.0000009600000000 ] - [ -0.0002938600000000, 0.0000518200000000, -0.0000965700000000 ] - [ 0.0002644900000000, -0.0000460000000000, 0.0001557000000000 ] - [ -0.0001737800000000, -0.0000460500000000, -0.0000797600000000 ] - [ 0.0001870200000000, 0.0000662400000000, 0.0000755300000000 ] - [ 0.0002703200000000, 0.0000439900000000, -0.0001556200000000 ] - [ -0.0002900100000000, -0.0000519500000000, 0.0000975800000000 ] - [ 0.0001842400000000, -0.0000670600000000, -0.0000741000000000 ] - [ -0.0001796800000000, 0.0000435700000000, 0.0000819100000000 ] - [ -0.0008487200000000, -0.0000029800000000, -0.0008147100000000 ] - [ -0.0008622500000000, -0.0000009500000000, 0.0008115300000000 ] - [ 0.0000587200000000, -0.0001206400000000, -0.0000800500000000 ] - [ 0.0000581400000000, 0.0001183000000000, 0.0000805500000000 ] - [ -0.0000670100000000, -0.0004018300000000, -0.0003750300000000 ] - [ -0.0000762900000000, 0.0004113800000000, 0.0003567300000000 ] - [ -0.0002983300000000, 0.0008116200000000, 0.0002279300000000 ] - [ -0.0003034700000000, -0.0008167600000000, -0.0002296600000000 ] - [ -0.1340178800000000, -0.0074269000000000, -0.0015185200000000 ] - [ 0.0034339000000000, -0.0049683600000000, -0.0013720300000000 ] - [ -0.0005354900000000, -0.0049531500000000, -0.0013740000000000 ] - [ 0.0007543600000000, -0.0049561300000000, -0.0013738300000000 ] - [ 0.0055264100000000, -0.0051373500000000, 0.0014922300000000 ] - [ 0.0054326600000000, -0.0047594300000000, 0.0012569500000000 ] - [ -0.0002580500000000, -0.0039605100000000, 0.0013159300000000 ] - [ -0.0002480400000000, -0.0059436500000000, 0.0014317700000000 ] - [ 0.0044911500000000, 0.0005971800000000, -0.0004133900000000 ] - [ 0.0053880800000000, 0.0000403600000000, 0.0015940000000000 ] - [ 0.0048222000000000, 0.0000416700000000, 0.0013037300000000 ] - [ 0.0050746700000000, 0.0000446400000000, 0.0014469100000000 ] - [ -0.0045304700000000, -0.0000407500000000, 0.0011498900000000 ] - [ -0.0054149300000000, -0.0006039100000000, 0.0031800100000000 ] - [ -0.0048430500000000, -0.0000424200000000, 0.0012999600000000 ] - [ -0.0050921100000000, -0.0000391200000000, 0.0014442800000000 ] - [ -0.0003837800000000, 0.0072816500000000, 0.0000668900000000 ] - [ -0.0004439400000000, 0.0028451900000000, 0.0026699100000000 ] - [ 0.0003582400000000, 0.0039323400000000, 0.0013494500000000 ] - [ 0.0003613200000000, 0.0059774600000000, 0.0013986000000000 ] - [ -0.0137324000000000, 0.0049664900000000, -0.0013795000000000 ] - [ 0.0033467200000000, 0.0049688300000000, -0.0013756400000000 ] - [ -0.0025957600000000, 0.0050017600000000, -0.0013689300000000 ] - [ 0.0005333500000000, 0.0049581000000000, -0.0013753600000000 ] - [ -0.0045614100000000, -0.0001230800000000, -0.0015778200000000 ] - [ -0.0055532900000000, 0.0004999000000000, -0.0003267800000000 ] - [ -0.0043902400000000, 0.0002425100000000, -0.0017618100000000 ] - [ -0.0055072900000000, -0.0000830700000000, -0.0011901300000000 ] - [ 0.0043507600000000, -0.0004943000000000, -0.0024283000000000 ] - [ 0.0053590300000000, 0.0001208300000000, -0.0011721700000000 ] - [ 0.0044047800000000, 0.0000801400000000, -0.0015638500000000 ] - [ 0.0055252500000000, -0.0002392200000000, -0.0009931400000000 ] - [ 0.0000171200000000, -0.0047803400000000, -0.0013336200000000 ] - [ 0.0000202600000000, -0.0051360100000000, -0.0014132800000000 ] - [ 0.0000175200000000, -0.0049712700000000, -0.0012785400000000 ] - [ 0.0000198400000000, -0.0049433000000000, -0.0014695800000000 ] - [ -0.0002721400000000, -0.0049626700000000, 0.0013749800000000 ] - [ 0.0001915900000000, -0.0049584900000000, 0.0013749000000000 ] - [ -0.0002717100000000, -0.0049577700000000, 0.0013749200000000 ] - [ 0.0001911600000000, -0.0049590900000000, 0.0013746900000000 ] - [ 0.0053318900000000, -0.0002034500000000, 0.0014463400000000 ] - [ 0.0068029500000000, 0.0006917000000000, -0.0007490000000000 ] - [ 0.0051282300000000, 0.0001099600000000, 0.0013919300000000 ] - [ 0.0046493000000000, -0.0002048000000000, 0.0013050100000000 ] - [ -0.0031153900000000, -0.0006764800000000, 0.0034905200000000 ] - [ -0.0045787100000000, 0.0002082800000000, 0.0013053000000000 ] - [ -0.0052639600000000, 0.0002070000000000, 0.0014490400000000 ] - [ -0.0047815700000000, -0.0001119400000000, 0.0013632100000000 ] - [ -0.0003201800000000, 0.0049611200000000, 0.0013750400000000 ] - [ 0.0002595200000000, 0.0049567900000000, 0.0013731400000000 ] - [ -0.0000944200000000, 0.0049587500000000, 0.0013741800000000 ] - [ 0.0001755200000000, 0.0049599400000000, 0.0013738400000000 ] - [ 0.0001051800000000, 0.0048338500000000, -0.0012810400000000 ] - [ 0.0001084200000000, 0.0050823100000000, -0.0014684000000000 ] - [ -0.0000231700000000, 0.0049239400000000, -0.0013379600000000 ] - [ -0.0000208100000000, 0.0049900500000000, -0.0014108500000000 ] - [ -0.0047175000000000, 0.0004920800000000, 0.0002683200000000 ] - [ -0.0045436900000000, -0.0000827500000000, -0.0016701000000000 ] - [ -0.0052130400000000, -0.0001209800000000, -0.0013041400000000 ] - [ -0.0046817900000000, 0.0002412200000000, -0.0013696000000000 ] - [ 0.0053734200000000, 0.0000797400000000, -0.0010739800000000 ] - [ 0.0052149000000000, -0.0005017000000000, -0.0030370800000000 ] - [ 0.0052373200000000, -0.0002403100000000, -0.0013784500000000 ] - [ 0.0047073300000000, 0.0001229700000000, -0.0014444700000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000308300000000, 0.0001876600000000, 0.0002938700000000 ] - [ 0.0000308300000000, 0.0001876600000000, 0.0002938700000000 ] - [ 0.0002128800000000, -0.0001637600000000, 0.0000357900000000 ] - [ -0.0002128800000000, -0.0001637600000000, 0.0000357900000000 ] - [ 0.0022894600000000, 0.0005786400000000, -0.0001337100000000 ] - [ -0.0022894600000000, 0.0005786400000000, -0.0001337100000000 ] - [ 0.0000536100000000, -0.0019202200000000, 0.0008865500000000 ] - [ -0.0000536100000000, -0.0019202200000000, 0.0008865500000000 ] - [ 0.0000000000000000, 0.0179420600000000, -0.0226607100000000 ] - [ 0.0000000000000000, 0.0007129600000000, -0.0006581600000000 ] - [ 0.0000000000000000, -0.0011951600000000, -0.0006301400000000 ] - [ 0.0000000000000000, -0.0007432500000000, -0.0004544800000000 ] - [ 0.0000000000000000, 0.0003769000000000, 0.0000780700000000 ] - [ 0.0000000000000000, 0.0000651100000000, 0.0000210700000000 ] - [ 0.0000000000000000, -0.0003616100000000, 0.0002892600000000 ] - [ 0.0000000000000000, -0.0000806300000000, 0.0002479800000000 ] - [ 0.0458417000000000, 0.0695680500000000, 0.0038503600000000 ] - [ 0.0012462500000000, 0.0016952900000000, 0.0001323400000000 ] - [ 0.0023660100000000, -0.0008254600000000, 0.0005974900000000 ] - [ -0.0005448000000000, -0.0001067400000000, 0.0000219300000000 ] - [ -0.0012462500000000, 0.0016952900000000, 0.0001323400000000 ] - [ -0.0458417000000000, 0.0695680500000000, 0.0038503600000000 ] - [ 0.0005448000000000, -0.0001067400000000, 0.0000219300000000 ] - [ -0.0023660100000000, -0.0008254600000000, 0.0005974900000000 ] - [ 0.0000000000000000, -0.0001359500000000, 0.0007642100000000 ] - [ 0.0000000000000000, 0.0000102200000000, 0.0002817400000000 ] - [ 0.0000000000000000, -0.0010416900000000, -0.0007590600000000 ] - [ 0.0000000000000000, 0.0001386800000000, -0.0000219700000000 ] - [ 0.0000000000000000, 0.0014699000000000, -0.0027183500000000 ] - [ 0.0000000000000000, 0.0002552500000000, 0.0002406900000000 ] - [ 0.0000000000000000, -0.0008300800000000, -0.0002135800000000 ] - [ 0.0000000000000000, -0.0004165700000000, -0.0001688400000000 ] - [ 0.0001543300000000, 0.0000763900000000, 0.0001049100000000 ] - [ -0.0001957200000000, 0.0001134400000000, 0.0001056300000000 ] - [ -0.0000170700000000, -0.0000723500000000, 0.0000342100000000 ] - [ -0.0000420700000000, -0.0001189000000000, -0.0000068100000000 ] - [ 0.0001957200000000, 0.0001134400000000, 0.0001056300000000 ] - [ -0.0001543300000000, 0.0000763900000000, 0.0001049100000000 ] - [ 0.0000420700000000, -0.0001189000000000, -0.0000068100000000 ] - [ 0.0000170700000000, -0.0000723500000000, 0.0000342100000000 ] - [ 0.0011180100000000, 0.0015166200000000, -0.0001030800000000 ] - [ -0.0011180100000000, 0.0015166200000000, -0.0001030800000000 ] - [ -0.0000464700000000, -0.0007768200000000, 0.0001341400000000 ] - [ 0.0000464700000000, -0.0007768200000000, 0.0001341400000000 ] - [ 0.0000099800000000, 0.0002015300000000, -0.0002327300000000 ] - [ -0.0000099800000000, 0.0002015300000000, -0.0002327300000000 ] - [ 0.0010047100000000, -0.0009727300000000, -0.0003789500000000 ] - [ -0.0010047100000000, -0.0009727300000000, -0.0003789500000000 ] - [ 0.0000000000000000, -0.1619255600000000, 0.0200861000000000 ] - [ 0.0000000000000000, -0.0062469000000000, -0.0013438900000000 ] - [ 0.0000000000000000, -0.0042769700000000, -0.0014506500000000 ] - [ 0.0000000000000000, -0.0046230700000000, -0.0013909900000000 ] - [ 0.0001989300000000, -0.0112566700000000, 0.0010167000000000 ] - [ -0.0001989300000000, -0.0112566700000000, 0.0010167000000000 ] - [ -0.0009893400000000, -0.0039657600000000, 0.0013038300000000 ] - [ 0.0009893400000000, -0.0039657600000000, 0.0013038300000000 ] - [ 0.0049781700000000, -0.0004675800000000, -0.0000569500000000 ] - [ 0.0048739900000000, -0.0001347600000000, 0.0011398500000000 ] - [ 0.0048720200000000, 0.0004282800000000, 0.0015806700000000 ] - [ 0.0051577700000000, 0.0001167600000000, 0.0013979100000000 ] - [ -0.0048739900000000, -0.0001347600000000, 0.0011398500000000 ] - [ -0.0049781700000000, -0.0004675800000000, -0.0000569500000000 ] - [ -0.0051577700000000, 0.0001167600000000, 0.0013979100000000 ] - [ -0.0048720200000000, 0.0004282800000000, 0.0015806700000000 ] - [ 0.0023282900000000, -0.0012624400000000, 0.0007161400000000 ] - [ -0.0023282900000000, -0.0012624400000000, 0.0007161400000000 ] - [ -0.0010186700000000, 0.0045380900000000, 0.0014680000000000 ] - [ 0.0010186700000000, 0.0045380900000000, 0.0014680000000000 ] - [ 0.0000000000000000, 0.0175056500000000, -0.0022850600000000 ] - [ 0.0000000000000000, 0.0047790600000000, -0.0012383800000000 ] - [ 0.0000000000000000, 0.0148234200000000, 0.0001630900000000 ] - [ 0.0000000000000000, 0.0046251700000000, -0.0013552500000000 ] - [ -0.0050822900000000, -0.0002529300000000, -0.0014688400000000 ] - [ -0.0046700000000000, 0.0002539600000000, -0.0001732700000000 ] - [ -0.0047952400000000, 0.0002780200000000, -0.0015440500000000 ] - [ -0.0047588500000000, 0.0004123400000000, -0.0015995700000000 ] - [ 0.0046700000000000, 0.0002539600000000, -0.0001732700000000 ] - [ 0.0050822900000000, -0.0002529300000000, -0.0014688400000000 ] - [ 0.0047588500000000, 0.0004123400000000, -0.0015995700000000 ] - [ 0.0047952400000000, 0.0002780200000000, -0.0015440500000000 ] - [ 0.0000123400000000, -0.0049150900000000, -0.0013979200000000 ] - [ -0.0000123400000000, -0.0049150900000000, -0.0013979200000000 ] - [ -0.0001790000000000, -0.0049134000000000, -0.0015172800000000 ] - [ 0.0001790000000000, -0.0049134000000000, -0.0015172800000000 ] - [ 0.0000000000000000, -0.0049345200000000, 0.0013590300000000 ] - [ 0.0000000000000000, -0.0049639300000000, 0.0013002900000000 ] - [ 0.0000000000000000, -0.0049319000000000, 0.0013525700000000 ] - [ 0.0000000000000000, -0.0049638600000000, 0.0012992200000000 ] - [ 0.0046724200000000, -0.0003045600000000, 0.0015075600000000 ] - [ 0.0076465000000000, 0.0018393400000000, -0.0012931600000000 ] - [ 0.0047819600000000, 0.0001716000000000, 0.0014596400000000 ] - [ 0.0046774100000000, 0.0003755200000000, 0.0015633400000000 ] - [ -0.0076465000000000, 0.0018393400000000, -0.0012931600000000 ] - [ -0.0046724200000000, -0.0003045600000000, 0.0015075600000000 ] - [ -0.0046774100000000, 0.0003755200000000, 0.0015633400000000 ] - [ -0.0047819600000000, 0.0001716000000000, 0.0014596400000000 ] - [ 0.0000000000000000, 0.0048239900000000, 0.0014312000000000 ] - [ 0.0000000000000000, 0.0048665400000000, 0.0013252100000000 ] - [ 0.0000000000000000, 0.0051590000000000, 0.0013300200000000 ] - [ 0.0000000000000000, 0.0050756800000000, 0.0012922800000000 ] - [ -0.0001250300000000, 0.0047172300000000, -0.0015018000000000 ] - [ 0.0001250300000000, 0.0047172300000000, -0.0015018000000000 ] - [ -0.0000333600000000, 0.0050731600000000, -0.0013863800000000 ] - [ 0.0000333600000000, 0.0050731600000000, -0.0013863800000000 ] - [ -0.0046831200000000, -0.0006041100000000, -0.0003586300000000 ] - [ -0.0047610400000000, -0.0005519400000000, -0.0011088700000000 ] - [ -0.0050841900000000, 0.0003983900000000, -0.0015278900000000 ] - [ -0.0047961500000000, 0.0005669300000000, -0.0013172400000000 ] - [ 0.0047610400000000, -0.0005519400000000, -0.0011088700000000 ] - [ 0.0046831200000000, -0.0006041100000000, -0.0003586300000000 ] - [ 0.0047961500000000, 0.0005669300000000, -0.0013172400000000 ] - [ 0.0050841900000000, 0.0003983900000000, -0.0015278900000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000431300000000, -0.0001875500000000, -0.0002960200000000 ] - [ -0.0000431300000000, -0.0001875500000000, -0.0002960200000000 ] - [ -0.0002109100000000, 0.0001637400000000, -0.0000338100000000 ] - [ 0.0002109100000000, 0.0001637400000000, -0.0000338100000000 ] - [ -0.0022997000000000, -0.0005675200000000, 0.0001624900000000 ] - [ 0.0022997000000000, -0.0005675200000000, 0.0001624900000000 ] - [ -0.0000409400000000, 0.0019103400000000, -0.0008705800000000 ] - [ 0.0000409400000000, 0.0019103400000000, -0.0008705800000000 ] - [ 0.0000000000000000, -0.0189158400000000, 0.0239460600000000 ] - [ 0.0000000000000000, -0.0007060800000000, 0.0006466100000000 ] - [ 0.0000000000000000, 0.0012233300000000, 0.0006435900000000 ] - [ 0.0000000000000000, 0.0007362500000000, 0.0004409000000000 ] - [ 0.0000000000000000, -0.0003787100000000, -0.0000730000000000 ] - [ 0.0000000000000000, -0.0000662000000000, -0.0000225300000000 ] - [ 0.0000000000000000, 0.0003606800000000, -0.0002913300000000 ] - [ 0.0000000000000000, 0.0000800400000000, -0.0002505400000000 ] - [ -0.0441526700000000, -0.0674848400000000, -0.0037593300000000 ] - [ -0.0012485500000000, -0.0016806100000000, -0.0001236000000000 ] - [ -0.0023688300000000, 0.0008404700000000, -0.0006018400000000 ] - [ 0.0005482400000000, 0.0001149600000000, -0.0000228200000000 ] - [ 0.0012485500000000, -0.0016806100000000, -0.0001236000000000 ] - [ 0.0441526700000000, -0.0674848400000000, -0.0037593300000000 ] - [ -0.0005482400000000, 0.0001149600000000, -0.0000228200000000 ] - [ 0.0023688300000000, 0.0008404700000000, -0.0006018400000000 ] - [ 0.0000000000000000, 0.0001532200000000, -0.0007758000000000 ] - [ 0.0000000000000000, -0.0000072300000000, -0.0002787900000000 ] - [ 0.0000000000000000, 0.0010439500000000, 0.0007715000000000 ] - [ 0.0000000000000000, -0.0001364700000000, 0.0000258200000000 ] - [ 0.0000000000000000, -0.0014987300000000, 0.0027201800000000 ] - [ 0.0000000000000000, -0.0002586500000000, -0.0002336900000000 ] - [ 0.0000000000000000, 0.0008360800000000, 0.0002122900000000 ] - [ 0.0000000000000000, 0.0004144800000000, 0.0001673700000000 ] - [ -0.0001526700000000, -0.0000784200000000, -0.0001040100000000 ] - [ 0.0001939300000000, -0.0001156700000000, -0.0001069200000000 ] - [ 0.0000210200000000, 0.0000733400000000, -0.0000324500000000 ] - [ 0.0000423800000000, 0.0001201500000000, 0.0000060300000000 ] - [ -0.0001939300000000, -0.0001156700000000, -0.0001069200000000 ] - [ 0.0001526700000000, -0.0000784200000000, -0.0001040100000000 ] - [ -0.0000423800000000, 0.0001201500000000, 0.0000060300000000 ] - [ -0.0000210200000000, 0.0000733400000000, -0.0000324500000000 ] - [ -0.0011098300000000, -0.0015265200000000, 0.0000905400000000 ] - [ 0.0011098300000000, -0.0015265200000000, 0.0000905400000000 ] - [ 0.0000481200000000, 0.0007796900000000, -0.0001355400000000 ] - [ -0.0000481200000000, 0.0007796900000000, -0.0001355400000000 ] - [ -0.0000005900000000, -0.0001964300000000, 0.0002216800000000 ] - [ 0.0000005900000000, -0.0001964300000000, 0.0002216800000000 ] - [ -0.0010038200000000, 0.0009758100000000, 0.0003762700000000 ] - [ 0.0010038200000000, 0.0009758100000000, 0.0003762700000000 ] - [ 0.0000000000000000, 0.1490743300000000, -0.0243340700000000 ] - [ 0.0000000000000000, -0.0036968000000000, -0.0014054700000000 ] - [ 0.0000000000000000, -0.0056563000000000, -0.0012973500000000 ] - [ 0.0000000000000000, -0.0052963500000000, -0.0013561700000000 ] - [ -0.0001790500000000, 0.0011987700000000, 0.0017214300000000 ] - [ 0.0001790500000000, 0.0011987700000000, 0.0017214300000000 ] - [ 0.0009949700000000, -0.0059661200000000, 0.0014478400000000 ] - [ -0.0009949700000000, -0.0059661200000000, 0.0014478400000000 ] - [ 0.0049364400000000, 0.0004584900000000, 0.0028234900000000 ] - [ 0.0050490600000000, 0.0001344100000000, 0.0016051700000000 ] - [ 0.0050468200000000, -0.0004296400000000, 0.0011656200000000 ] - [ 0.0047639400000000, -0.0001160000000000, 0.0013487700000000 ] - [ -0.0050490600000000, 0.0001344100000000, 0.0016051700000000 ] - [ -0.0049364400000000, 0.0004584900000000, 0.0028234900000000 ] - [ -0.0047639400000000, -0.0001160000000000, 0.0013487700000000 ] - [ -0.0050468200000000, -0.0004296400000000, 0.0011656200000000 ] - [ -0.0021095000000000, 0.0111431300000000, 0.0020347000000000 ] - [ 0.0021095000000000, 0.0111431300000000, 0.0020347000000000 ] - [ 0.0010258500000000, 0.0053751200000000, 0.0012805800000000 ] - [ -0.0010258500000000, 0.0053751200000000, 0.0012805800000000 ] - [ 0.0000000000000000, -0.0073474000000000, -0.0004547700000000 ] - [ 0.0000000000000000, 0.0051464300000000, -0.0015121800000000 ] - [ 0.0000000000000000, -0.0050166000000000, -0.0029418800000000 ] - [ 0.0000000000000000, 0.0052945700000000, -0.0013928400000000 ] - [ -0.0048369800000000, 0.0002520800000000, -0.0012819700000000 ] - [ -0.0052404600000000, -0.0002439800000000, -0.0025877800000000 ] - [ -0.0051252200000000, -0.0002778600000000, -0.0012077400000000 ] - [ -0.0051562700000000, -0.0004189000000000, -0.0011500200000000 ] - [ 0.0052404600000000, -0.0002439800000000, -0.0025877800000000 ] - [ 0.0048369800000000, 0.0002520800000000, -0.0012819700000000 ] - [ 0.0051562700000000, -0.0004189000000000, -0.0011500200000000 ] - [ 0.0051252200000000, -0.0002778600000000, -0.0012077400000000 ] - [ -0.0000156600000000, -0.0050076500000000, -0.0013484800000000 ] - [ 0.0000156600000000, -0.0050076500000000, -0.0013484800000000 ] - [ 0.0001778700000000, -0.0050061800000000, -0.0012293500000000 ] - [ -0.0001778700000000, -0.0050061800000000, -0.0012293500000000 ] - [ 0.0000000000000000, -0.0049903200000000, 0.0013906700000000 ] - [ 0.0000000000000000, -0.0049555900000000, 0.0014486100000000 ] - [ 0.0000000000000000, -0.0049882100000000, 0.0013964400000000 ] - [ 0.0000000000000000, -0.0049557000000000, 0.0014485300000000 ] - [ 0.0052455400000000, 0.0003078900000000, 0.0012443300000000 ] - [ 0.0022841200000000, -0.0018503100000000, 0.0040615000000000 ] - [ 0.0051337600000000, -0.0001736000000000, 0.0012935700000000 ] - [ 0.0052501100000000, -0.0003782000000000, 0.0011834000000000 ] - [ -0.0022841200000000, -0.0018503100000000, 0.0040615000000000 ] - [ -0.0052455400000000, 0.0003078900000000, 0.0012443300000000 ] - [ -0.0052501100000000, -0.0003782000000000, 0.0011834000000000 ] - [ -0.0051337600000000, -0.0001736000000000, 0.0012935700000000 ] - [ 0.0000000000000000, 0.0051010400000000, 0.0013192300000000 ] - [ 0.0000000000000000, 0.0050521600000000, 0.0014206400000000 ] - [ 0.0000000000000000, 0.0047600400000000, 0.0014173300000000 ] - [ 0.0000000000000000, 0.0048442100000000, 0.0014540600000000 ] - [ 0.0001221000000000, 0.0052051000000000, -0.0012463400000000 ] - [ -0.0001221000000000, 0.0052051000000000, -0.0012463400000000 ] - [ 0.0000314700000000, 0.0048458700000000, -0.0013626100000000 ] - [ -0.0000314700000000, 0.0048458700000000, -0.0013626100000000 ] - [ -0.0052522600000000, 0.0005992200000000, -0.0024069500000000 ] - [ -0.0051583500000000, 0.0005508200000000, -0.0016354400000000 ] - [ -0.0048381500000000, -0.0003988000000000, -0.0012190900000000 ] - [ -0.0051253300000000, -0.0005693800000000, -0.0014294000000000 ] - [ 0.0051583500000000, 0.0005508200000000, -0.0016354400000000 ] - [ 0.0052522600000000, 0.0005992200000000, -0.0024069500000000 ] - [ 0.0051253300000000, -0.0005693800000000, -0.0014294000000000 ] - [ 0.0048381500000000, -0.0003988000000000, -0.0012190900000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0007642800000000, -0.0000311500000000, -0.0006535300000000 ] - [ -0.0007642800000000, -0.0000311500000000, -0.0006535300000000 ] - [ 0.0001751700000000, -0.0000216700000000, -0.0002684000000000 ] - [ -0.0001751700000000, -0.0000216700000000, -0.0002684000000000 ] - [ 0.0008061800000000, -0.0002778300000000, 0.0003565800000000 ] - [ -0.0008061800000000, -0.0002778300000000, 0.0003565800000000 ] - [ 0.0003732800000000, 0.0001208100000000, 0.0002431100000000 ] - [ -0.0003732800000000, 0.0001208100000000, 0.0002431100000000 ] - [ 0.0000000000000000, -0.0218634100000000, 0.0268208800000000 ] - [ 0.0000000000000000, -0.0000997500000000, 0.0004375000000000 ] - [ 0.0000000000000000, -0.0001116000000000, 0.0002363600000000 ] - [ 0.0000000000000000, 0.0001900600000000, 0.0002945300000000 ] - [ 0.0000000000000000, -0.0001342400000000, -0.0010610500000000 ] - [ 0.0000000000000000, -0.0000291700000000, -0.0003355700000000 ] - [ 0.0000000000000000, 0.0001121100000000, -0.0004339400000000 ] - [ 0.0000000000000000, 0.0000145000000000, -0.0003539700000000 ] - [ 0.0031078400000000, 0.0008759300000000, 0.0133565800000000 ] - [ -0.0007952600000000, -0.0000620000000000, -0.0001107600000000 ] - [ -0.0003158100000000, 0.0001334000000000, 0.0002169400000000 ] - [ -0.0000796600000000, 0.0000017200000000, 0.0000770000000000 ] - [ 0.0007952600000000, -0.0000620000000000, -0.0001107600000000 ] - [ -0.0031078400000000, 0.0008759300000000, 0.0133565800000000 ] - [ 0.0000796600000000, 0.0000017200000000, 0.0000770000000000 ] - [ 0.0003158100000000, 0.0001334000000000, 0.0002169400000000 ] - [ 0.0000000000000000, 0.0017000400000000, 0.0000068600000000 ] - [ 0.0000000000000000, 0.0002569200000000, 0.0000138700000000 ] - [ 0.0000000000000000, -0.0012936600000000, -0.0000937400000000 ] - [ 0.0000000000000000, -0.0001714300000000, 0.0000304100000000 ] - [ 0.0000000000000000, 0.0004545700000000, -0.0000392300000000 ] - [ 0.0000000000000000, -0.0000005300000000, -0.0000524400000000 ] - [ 0.0000000000000000, 0.0000681100000000, 0.0000122000000000 ] - [ 0.0000000000000000, -0.0000744800000000, -0.0000394100000000 ] - [ 0.0001191400000000, -0.0000340500000000, -0.0001094200000000 ] - [ -0.0000329800000000, -0.0001233900000000, -0.0004726300000000 ] - [ 0.0001420300000000, 0.0000395000000000, -0.0000107900000000 ] - [ 0.0000506700000000, 0.0000404600000000, -0.0001507800000000 ] - [ 0.0000329800000000, -0.0001233900000000, -0.0004726300000000 ] - [ -0.0001191400000000, -0.0000340500000000, -0.0001094200000000 ] - [ -0.0000506700000000, 0.0000404600000000, -0.0001507800000000 ] - [ -0.0001420300000000, 0.0000395000000000, -0.0000107900000000 ] - [ -0.0011958200000000, -0.0002073900000000, -0.0001794300000000 ] - [ 0.0011958200000000, -0.0002073900000000, -0.0001794300000000 ] - [ 0.0000127500000000, 0.0002318800000000, 0.0000146600000000 ] - [ -0.0000127500000000, 0.0002318800000000, 0.0000146600000000 ] - [ -0.0004115700000000, -0.0006492100000000, 0.0003630600000000 ] - [ 0.0004115700000000, -0.0006492100000000, 0.0003630600000000 ] - [ -0.0005304900000000, 0.0009960200000000, 0.0005753400000000 ] - [ 0.0005304900000000, 0.0009960200000000, 0.0005753400000000 ] - [ 0.0000000000000000, 0.0181550800000000, -0.0530346700000000 ] - [ 0.0000000000000000, -0.0049294300000000, -0.0014324900000000 ] - [ 0.0000000000000000, -0.0050344400000000, -0.0015463400000000 ] - [ 0.0000000000000000, -0.0049750500000000, -0.0014485500000000 ] - [ 0.0001091500000000, -0.0045983600000000, 0.0012633100000000 ] - [ -0.0001091500000000, -0.0045983600000000, 0.0012633100000000 ] - [ -0.0000555200000000, -0.0048873000000000, 0.0013008600000000 ] - [ 0.0000555200000000, -0.0048873000000000, 0.0013008600000000 ] - [ 0.0035348400000000, -0.0017802400000000, 0.0032955800000000 ] - [ 0.0051664500000000, -0.0000692300000000, 0.0013774700000000 ] - [ 0.0047258500000000, 0.0002232800000000, 0.0013768400000000 ] - [ 0.0049831500000000, 0.0000742100000000, 0.0013663000000000 ] - [ -0.0051664500000000, -0.0000692300000000, 0.0013774700000000 ] - [ -0.0035348400000000, -0.0017802400000000, 0.0032955800000000 ] - [ -0.0049831500000000, 0.0000742100000000, 0.0013663000000000 ] - [ -0.0047258500000000, 0.0002232800000000, 0.0013768400000000 ] - [ -0.0012537100000000, 0.0043500900000000, -0.0051056000000000 ] - [ 0.0012537100000000, 0.0043500900000000, -0.0051056000000000 ] - [ -0.0000222000000000, 0.0050566500000000, 0.0011078700000000 ] - [ 0.0000222000000000, 0.0050566500000000, 0.0011078700000000 ] - [ 0.0000000000000000, 0.0058315600000000, -0.0009990900000000 ] - [ 0.0000000000000000, 0.0048217100000000, -0.0014492800000000 ] - [ 0.0000000000000000, 0.0034134000000000, -0.0024724500000000 ] - [ 0.0000000000000000, 0.0049417200000000, -0.0014792300000000 ] - [ -0.0051136900000000, 0.0000693500000000, -0.0013241900000000 ] - [ -0.0039394600000000, 0.0016446700000000, -0.0001242100000000 ] - [ -0.0049033100000000, 0.0000041900000000, -0.0014929200000000 ] - [ -0.0046962500000000, -0.0002983200000000, -0.0014706200000000 ] - [ 0.0039394600000000, 0.0016446700000000, -0.0001242100000000 ] - [ 0.0051136900000000, 0.0000693500000000, -0.0013241900000000 ] - [ 0.0046962500000000, -0.0002983200000000, -0.0014706200000000 ] - [ 0.0049033100000000, 0.0000041900000000, -0.0014929200000000 ] - [ -0.0000961700000000, -0.0051020800000000, -0.0011600800000000 ] - [ 0.0000961700000000, -0.0051020800000000, -0.0011600800000000 ] - [ -0.0000403700000000, -0.0049824100000000, -0.0011600800000000 ] - [ 0.0000403700000000, -0.0049824100000000, -0.0011600800000000 ] - [ 0.0000000000000000, -0.0049381100000000, 0.0016383300000000 ] - [ 0.0000000000000000, -0.0048851100000000, 0.0014698600000000 ] - [ 0.0000000000000000, -0.0049431400000000, 0.0016385500000000 ] - [ 0.0000000000000000, -0.0048851900000000, 0.0014695500000000 ] - [ 0.0051484100000000, -0.0000699300000000, 0.0013562000000000 ] - [ 0.0022733200000000, -0.0021250900000000, 0.0031776600000000 ] - [ 0.0050417400000000, 0.0000170000000000, 0.0012030300000000 ] - [ 0.0050927600000000, 0.0000713400000000, 0.0013568900000000 ] - [ -0.0022733200000000, -0.0021250900000000, 0.0031776600000000 ] - [ -0.0051484100000000, -0.0000699300000000, 0.0013562000000000 ] - [ -0.0050927600000000, 0.0000713400000000, 0.0013568900000000 ] - [ -0.0050417400000000, 0.0000170000000000, 0.0012030300000000 ] - [ 0.0000000000000000, 0.0050170800000000, 0.0020648400000000 ] - [ 0.0000000000000000, 0.0049117800000000, 0.0015062000000000 ] - [ 0.0000000000000000, 0.0049165600000000, 0.0015373700000000 ] - [ 0.0000000000000000, 0.0048797400000000, 0.0014334700000000 ] - [ -0.0000943600000000, 0.0050858400000000, -0.0010811000000000 ] - [ 0.0000943600000000, 0.0050858400000000, -0.0010811000000000 ] - [ -0.0000367600000000, 0.0049709800000000, -0.0012794100000000 ] - [ 0.0000367600000000, 0.0049709800000000, -0.0012794100000000 ] - [ -0.0037441400000000, 0.0010580100000000, -0.0001131700000000 ] - [ -0.0051834900000000, 0.0001836600000000, -0.0014715000000000 ] - [ -0.0050549000000000, -0.0002025300000000, -0.0013234100000000 ] - [ -0.0051270800000000, -0.0003849000000000, -0.0014929100000000 ] - [ 0.0051834900000000, 0.0001836600000000, -0.0014715000000000 ] - [ 0.0037441400000000, 0.0010580100000000, -0.0001131700000000 ] - [ 0.0051270800000000, -0.0003849000000000, -0.0014929100000000 ] - [ 0.0050549000000000, -0.0002025300000000, -0.0013234100000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0007647700000000, 0.0000335900000000, 0.0006565800000000 ] - [ 0.0007647700000000, 0.0000335900000000, 0.0006565800000000 ] - [ -0.0001756700000000, 0.0000186000000000, 0.0002673700000000 ] - [ 0.0001756700000000, 0.0000186000000000, 0.0002673700000000 ] - [ -0.0008082900000000, 0.0002726500000000, -0.0003507100000000 ] - [ 0.0008082900000000, 0.0002726500000000, -0.0003507100000000 ] - [ -0.0003696700000000, -0.0001102900000000, -0.0002414800000000 ] - [ 0.0003696700000000, -0.0001102900000000, -0.0002414800000000 ] - [ 0.0000000000000000, 0.0207182700000000, -0.0261361200000000 ] - [ 0.0000000000000000, 0.0001027900000000, -0.0004389900000000 ] - [ 0.0000000000000000, 0.0001185800000000, -0.0002249900000000 ] - [ 0.0000000000000000, -0.0001910000000000, -0.0002999700000000 ] - [ 0.0000000000000000, 0.0001318800000000, 0.0010448700000000 ] - [ 0.0000000000000000, 0.0000259000000000, 0.0003389900000000 ] - [ 0.0000000000000000, -0.0001147500000000, 0.0004337000000000 ] - [ 0.0000000000000000, -0.0000155000000000, 0.0003558300000000 ] - [ -0.0035185400000000, -0.0013234100000000, -0.0134836200000000 ] - [ 0.0007835100000000, 0.0000637900000000, 0.0001070200000000 ] - [ 0.0003162000000000, -0.0001335200000000, -0.0002211000000000 ] - [ 0.0000809400000000, -0.0000007900000000, -0.0000778200000000 ] - [ -0.0007835100000000, 0.0000637900000000, 0.0001070200000000 ] - [ 0.0035185400000000, -0.0013234100000000, -0.0134836200000000 ] - [ -0.0000809400000000, -0.0000007900000000, -0.0000778200000000 ] - [ -0.0003162000000000, -0.0001335200000000, -0.0002211000000000 ] - [ 0.0000000000000000, -0.0017090100000000, -0.0000142800000000 ] - [ 0.0000000000000000, -0.0002594900000000, -0.0000145300000000 ] - [ 0.0000000000000000, 0.0012896700000000, 0.0000903000000000 ] - [ 0.0000000000000000, 0.0001732100000000, -0.0000306000000000 ] - [ 0.0000000000000000, -0.0004774100000000, -0.0000664300000000 ] - [ 0.0000000000000000, 0.0000011900000000, 0.0000518000000000 ] - [ 0.0000000000000000, -0.0000687500000000, -0.0000128400000000 ] - [ 0.0000000000000000, 0.0000739100000000, 0.0000398000000000 ] - [ -0.0001151300000000, 0.0000326300000000, 0.0001103300000000 ] - [ 0.0000293700000000, 0.0001180900000000, 0.0004731300000000 ] - [ -0.0001386200000000, -0.0000383200000000, 0.0000114600000000 ] - [ -0.0000500700000000, -0.0000387500000000, 0.0001510000000000 ] - [ -0.0000293700000000, 0.0001180900000000, 0.0004731300000000 ] - [ 0.0001151300000000, 0.0000326300000000, 0.0001103300000000 ] - [ 0.0000500700000000, -0.0000387500000000, 0.0001510000000000 ] - [ 0.0001386200000000, -0.0000383200000000, 0.0000114600000000 ] - [ 0.0011962900000000, 0.0002162000000000, 0.0001813700000000 ] - [ -0.0011962900000000, 0.0002162000000000, 0.0001813700000000 ] - [ -0.0000128200000000, -0.0002315200000000, -0.0000157200000000 ] - [ 0.0000128200000000, -0.0002315200000000, -0.0000157200000000 ] - [ 0.0004084100000000, 0.0006405900000000, -0.0003600600000000 ] - [ -0.0004084100000000, 0.0006405900000000, -0.0003600600000000 ] - [ 0.0005353800000000, -0.0009960400000000, -0.0005734200000000 ] - [ -0.0005353800000000, -0.0009960400000000, -0.0005734200000000 ] - [ 0.0000000000000000, -0.0262744800000000, 0.0499682400000000 ] - [ 0.0000000000000000, -0.0049815900000000, -0.0013044800000000 ] - [ 0.0000000000000000, -0.0048913500000000, -0.0012033000000000 ] - [ 0.0000000000000000, -0.0049477400000000, -0.0013037900000000 ] - [ -0.0001270700000000, -0.0053035400000000, 0.0014877000000000 ] - [ 0.0001270700000000, -0.0053035400000000, 0.0014877000000000 ] - [ 0.0000583300000000, -0.0050436400000000, 0.0014531300000000 ] - [ -0.0000583300000000, -0.0050436400000000, 0.0014531300000000 ] - [ 0.0064255400000000, 0.0018128300000000, -0.0005705300000000 ] - [ 0.0047580600000000, 0.0000701100000000, 0.0013766300000000 ] - [ 0.0051982900000000, -0.0002230300000000, 0.0013732500000000 ] - [ 0.0049432900000000, -0.0000747500000000, 0.0013840700000000 ] - [ -0.0047580600000000, 0.0000701100000000, 0.0013766300000000 ] - [ -0.0064255400000000, 0.0018128300000000, -0.0005705300000000 ] - [ -0.0049432900000000, -0.0000747500000000, 0.0013840700000000 ] - [ -0.0051982900000000, -0.0002230300000000, 0.0013732500000000 ] - [ 0.0013486900000000, 0.0056834200000000, 0.0078806600000000 ] - [ -0.0013486900000000, 0.0056834200000000, 0.0078806600000000 ] - [ 0.0000258000000000, 0.0048788500000000, 0.0016448100000000 ] - [ -0.0000258000000000, 0.0048788500000000, 0.0016448100000000 ] - [ 0.0000000000000000, 0.0040043900000000, -0.0017258000000000 ] - [ 0.0000000000000000, 0.0051117400000000, -0.0013073400000000 ] - [ 0.0000000000000000, 0.0065277400000000, -0.0002724800000000 ] - [ 0.0000000000000000, 0.0049877800000000, -0.0012760600000000 ] - [ -0.0048125100000000, -0.0000717900000000, -0.0014284600000000 ] - [ -0.0059963700000000, -0.0016620200000000, -0.0026496000000000 ] - [ -0.0050224800000000, -0.0000030400000000, -0.0012582500000000 ] - [ -0.0052298900000000, 0.0002994000000000, -0.0012802700000000 ] - [ 0.0059963700000000, -0.0016620200000000, -0.0026496000000000 ] - [ 0.0048125100000000, -0.0000717900000000, -0.0014284600000000 ] - [ 0.0052298900000000, 0.0002994000000000, -0.0012802700000000 ] - [ 0.0050224800000000, -0.0000030400000000, -0.0012582500000000 ] - [ 0.0000944900000000, -0.0048161100000000, -0.0015905800000000 ] - [ -0.0000944900000000, -0.0048161100000000, -0.0015905800000000 ] - [ 0.0000364800000000, -0.0049473800000000, -0.0015931800000000 ] - [ -0.0000364800000000, -0.0049473800000000, -0.0015931800000000 ] - [ 0.0000000000000000, -0.0049814000000000, 0.0011109300000000 ] - [ 0.0000000000000000, -0.0050411100000000, 0.0012852100000000 ] - [ 0.0000000000000000, -0.0049960000000000, 0.0011168600000000 ] - [ 0.0000000000000000, -0.0050462900000000, 0.0012831400000000 ] - [ 0.0047675900000000, 0.0000717200000000, 0.0013908100000000 ] - [ 0.0076421600000000, 0.0021116600000000, -0.0004183500000000 ] - [ 0.0048719100000000, -0.0000128900000000, 0.0015446100000000 ] - [ 0.0048463100000000, -0.0000707200000000, 0.0013945900000000 ] - [ -0.0076421600000000, 0.0021116600000000, -0.0004183500000000 ] - [ -0.0047675900000000, 0.0000717200000000, 0.0013908100000000 ] - [ -0.0048463100000000, -0.0000707200000000, 0.0013945900000000 ] - [ -0.0048719100000000, -0.0000128900000000, 0.0015446100000000 ] - [ 0.0000000000000000, 0.0049053300000000, 0.0006923800000000 ] - [ 0.0000000000000000, 0.0050137800000000, 0.0012450400000000 ] - [ 0.0000000000000000, 0.0050199800000000, 0.0012142400000000 ] - [ 0.0000000000000000, 0.0050515000000000, 0.0013182200000000 ] - [ 0.0000922700000000, 0.0048311000000000, -0.0016722700000000 ] - [ -0.0000922700000000, 0.0048311000000000, -0.0016722700000000 ] - [ 0.0000334400000000, 0.0049590900000000, -0.0014736400000000 ] - [ -0.0000334400000000, 0.0049590900000000, -0.0014736400000000 ] - [ -0.0061769500000000, -0.0010425700000000, -0.0026391000000000 ] - [ -0.0047363500000000, -0.0001895000000000, -0.0012811800000000 ] - [ -0.0048879000000000, 0.0002038900000000, -0.0014308100000000 ] - [ -0.0047909000000000, 0.0003845500000000, -0.0012571400000000 ] - [ 0.0047363500000000, -0.0001895000000000, -0.0012811800000000 ] - [ 0.0061769500000000, -0.0010425700000000, -0.0026391000000000 ] - [ 0.0047909000000000, 0.0003845500000000, -0.0012571400000000 ] - [ 0.0048879000000000, 0.0002038900000000, -0.0014308100000000 ]