# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/da96aab1-0cf7-48a9-930e-6bb083466c6a/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 AuCl / I4_1/amd (141) / materials id 32780](https://mdr.nims.go.jp/datasets/b548e0d6-9f1e-4e28-a3fa-60c1464a29b0) ## 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, 2 ]primitive_cell: lattice: - [ -3.399563635000000, 3.399563635000000, 4.207807850000000 ] # a - [ 3.399563635000000, -3.399563635000000, 4.207807850000000 ] # b - [ 3.399563635000000, 3.399563635000000, -4.207807850000000 ] # c points: - symbol: Au # 1 coordinates: [ 0.375000000000000, 0.625000000000000, 0.250000000000000 ] mass: 196.966569 - symbol: Au # 2 coordinates: [ 0.875000000000000, 0.625000000000000, 0.250000000000000 ] mass: 196.966569 - symbol: Au # 3 coordinates: [ 0.375000000000000, 0.625000000000000, 0.750000000000000 ] mass: 196.966569 - symbol: Au # 4 coordinates: [ 0.375000000000000, 0.125000000000000, 0.750000000000000 ] mass: 196.966569 - symbol: Cl # 5 coordinates: [ 0.193015820000000, 0.193015820000000, 0.000000000000000 ] mass: 35.453000 - symbol: Cl # 6 coordinates: [ 0.806984180000000, 0.806984180000000, 0.000000000000000 ] mass: 35.453000 - symbol: Cl # 7 coordinates: [ 0.943015820000000, 0.443015820000000, 0.500000000000000 ] mass: 35.453000 - symbol: Cl # 8 coordinates: [ 0.556984180000000, 0.056984180000000, 0.500000000000000 ] mass: 35.453000 reciprocal_lattice: # without 2pi - [ 0.000000000000000, 0.147077699870737, 0.118826718762835 ] # a* - [ 0.147077699870737, 0.000000000000000, 0.118826718762835 ] # b* - [ 0.147077699870737, 0.147077699870737, 0.000000000000000 ] # c*unit_cell: lattice: - [ 6.799127270000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.799127270000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 8.415615700000000 ] # c points: - symbol: Au # 1 coordinates: [ 0.250000000000000, 0.000000000000000, 0.375000000000000 ] mass: 196.966569 reduced_to: 1 - symbol: Au # 2 coordinates: [ 0.000000000000000, 0.250000000000000, 0.625000000000000 ] mass: 196.966569 reduced_to: 2 - symbol: Au # 3 coordinates: [ 0.000000000000000, 0.750000000000000, 0.625000000000000 ] mass: 196.966569 reduced_to: 3 - symbol: Au # 4 coordinates: [ 0.250000000000000, 0.500000000000000, 0.875000000000000 ] mass: 196.966569 reduced_to: 4 - symbol: Au # 5 coordinates: [ 0.750000000000000, 0.500000000000000, 0.875000000000000 ] mass: 196.966569 reduced_to: 1 - symbol: Au # 6 coordinates: [ 0.500000000000000, 0.750000000000000, 0.125000000000000 ] mass: 196.966569 reduced_to: 2 - symbol: Au # 7 coordinates: [ 0.500000000000000, 0.250000000000000, 0.125000000000000 ] mass: 196.966569 reduced_to: 3 - symbol: Au # 8 coordinates: [ 0.750000000000000, 0.000000000000000, 0.375000000000000 ] mass: 196.966569 reduced_to: 4 - symbol: Cl # 9 coordinates: [ 0.500000000000000, 0.500000000000000, 0.693015820000000 ] mass: 35.453000 reduced_to: 9 - symbol: Cl # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.806984180000000 ] mass: 35.453000 reduced_to: 10 - symbol: Cl # 11 coordinates: [ 0.500000000000000, 0.000000000000000, 0.943015820000000 ] mass: 35.453000 reduced_to: 11 - symbol: Cl # 12 coordinates: [ 0.000000000000000, 0.500000000000000, 0.056984180000000 ] mass: 35.453000 reduced_to: 12 - symbol: Cl # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.193015820000000 ] mass: 35.453000 reduced_to: 9 - symbol: Cl # 14 coordinates: [ 0.500000000000000, 0.500000000000000, 0.306984180000000 ] mass: 35.453000 reduced_to: 10 - symbol: Cl # 15 coordinates: [ 0.000000000000000, 0.500000000000000, 0.443015820000000 ] mass: 35.453000 reduced_to: 11 - symbol: Cl # 16 coordinates: [ 0.500000000000000, 0.000000000000000, 0.556984180000000 ] mass: 35.453000 reduced_to: 12supercell: lattice: - [ 13.598254539999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 13.598254539999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 16.831231400000000 ] # c points: - symbol: Au # 1 coordinates: [ 0.125000000000000, 0.000000000000000, 0.187500000000000 ] mass: 196.966569 reduced_to: 1 - symbol: Au # 2 coordinates: [ 0.625000000000000, 0.000000000000000, 0.187500000000000 ] mass: 196.966569 reduced_to: 1 - symbol: Au # 3 coordinates: [ 0.125000000000000, 0.500000000000000, 0.187500000000000 ] mass: 196.966569 reduced_to: 1 - symbol: Au # 4 coordinates: [ 0.625000000000000, 0.500000000000000, 0.187500000000000 ] mass: 196.966569 reduced_to: 1 - symbol: Au # 5 coordinates: [ 0.125000000000000, 0.000000000000000, 0.687500000000000 ] mass: 196.966569 reduced_to: 1 - symbol: Au # 6 coordinates: [ 0.625000000000000, 0.000000000000000, 0.687500000000000 ] mass: 196.966569 reduced_to: 1 - symbol: Au # 7 coordinates: [ 0.125000000000000, 0.500000000000000, 0.687500000000000 ] mass: 196.966569 reduced_to: 1 - symbol: Au # 8 coordinates: [ 0.625000000000000, 0.500000000000000, 0.687500000000000 ] mass: 196.966569 reduced_to: 1 - symbol: Au # 9 coordinates: [ 0.000000000000000, 0.125000000000000, 0.312500000000000 ] mass: 196.966569 reduced_to: 9 - symbol: Au # 10 coordinates: [ 0.500000000000000, 0.125000000000000, 0.312500000000000 ] mass: 196.966569 reduced_to: 9 - symbol: Au # 11 coordinates: [ 0.000000000000000, 0.625000000000000, 0.312500000000000 ] mass: 196.966569 reduced_to: 9 - symbol: Au # 12 coordinates: [ 0.500000000000000, 0.625000000000000, 0.312500000000000 ] mass: 196.966569 reduced_to: 9 - symbol: Au # 13 coordinates: [ 0.000000000000000, 0.125000000000000, 0.812500000000000 ] mass: 196.966569 reduced_to: 9 - symbol: Au # 14 coordinates: [ 0.500000000000000, 0.125000000000000, 0.812500000000000 ] mass: 196.966569 reduced_to: 9 - symbol: Au # 15 coordinates: [ 0.000000000000000, 0.625000000000000, 0.812500000000000 ] mass: 196.966569 reduced_to: 9 - symbol: Au # 16 coordinates: [ 0.500000000000000, 0.625000000000000, 0.812500000000000 ] mass: 196.966569 reduced_to: 9 - symbol: Au # 17 coordinates: [ 0.000000000000000, 0.375000000000000, 0.312500000000000 ] mass: 196.966569 reduced_to: 17 - symbol: Au # 18 coordinates: [ 0.500000000000000, 0.375000000000000, 0.312500000000000 ] mass: 196.966569 reduced_to: 17 - symbol: Au # 19 coordinates: [ 0.000000000000000, 0.875000000000000, 0.312500000000000 ] mass: 196.966569 reduced_to: 17 - symbol: Au # 20 coordinates: [ 0.500000000000000, 0.875000000000000, 0.312500000000000 ] mass: 196.966569 reduced_to: 17 - symbol: Au # 21 coordinates: [ 0.000000000000000, 0.375000000000000, 0.812500000000000 ] mass: 196.966569 reduced_to: 17 - symbol: Au # 22 coordinates: [ 0.500000000000000, 0.375000000000000, 0.812500000000000 ] mass: 196.966569 reduced_to: 17 - symbol: Au # 23 coordinates: [ 0.000000000000000, 0.875000000000000, 0.812500000000000 ] mass: 196.966569 reduced_to: 17 - symbol: Au # 24 coordinates: [ 0.500000000000000, 0.875000000000000, 0.812500000000000 ] mass: 196.966569 reduced_to: 17 - symbol: Au # 25 coordinates: [ 0.125000000000000, 0.250000000000000, 0.437500000000000 ] mass: 196.966569 reduced_to: 25 - symbol: Au # 26 coordinates: [ 0.625000000000000, 0.250000000000000, 0.437500000000000 ] mass: 196.966569 reduced_to: 25 - symbol: Au # 27 coordinates: [ 0.125000000000000, 0.750000000000000, 0.437500000000000 ] mass: 196.966569 reduced_to: 25 - symbol: Au # 28 coordinates: [ 0.625000000000000, 0.750000000000000, 0.437500000000000 ] mass: 196.966569 reduced_to: 25 - symbol: Au # 29 coordinates: [ 0.125000000000000, 0.250000000000000, 0.937500000000000 ] mass: 196.966569 reduced_to: 25 - symbol: Au # 30 coordinates: [ 0.625000000000000, 0.250000000000000, 0.937500000000000 ] mass: 196.966569 reduced_to: 25 - symbol: Au # 31 coordinates: [ 0.125000000000000, 0.750000000000000, 0.937500000000000 ] mass: 196.966569 reduced_to: 25 - symbol: Au # 32 coordinates: [ 0.625000000000000, 0.750000000000000, 0.937500000000000 ] mass: 196.966569 reduced_to: 25 - symbol: Au # 33 coordinates: [ 0.375000000000000, 0.250000000000000, 0.437500000000000 ] mass: 196.966569 reduced_to: 1 - symbol: Au # 34 coordinates: [ 0.875000000000000, 0.250000000000000, 0.437500000000000 ] mass: 196.966569 reduced_to: 1 - symbol: Au # 35 coordinates: [ 0.375000000000000, 0.750000000000000, 0.437500000000000 ] mass: 196.966569 reduced_to: 1 - symbol: Au # 36 coordinates: [ 0.875000000000000, 0.750000000000000, 0.437500000000000 ] mass: 196.966569 reduced_to: 1 - symbol: Au # 37 coordinates: [ 0.375000000000000, 0.250000000000000, 0.937500000000000 ] mass: 196.966569 reduced_to: 1 - symbol: Au # 38 coordinates: [ 0.875000000000000, 0.250000000000000, 0.937500000000000 ] mass: 196.966569 reduced_to: 1 - symbol: Au # 39 coordinates: [ 0.375000000000000, 0.750000000000000, 0.937500000000000 ] mass: 196.966569 reduced_to: 1 - symbol: Au # 40 coordinates: [ 0.875000000000000, 0.750000000000000, 0.937500000000000 ] mass: 196.966569 reduced_to: 1 - symbol: Au # 41 coordinates: [ 0.250000000000000, 0.375000000000000, 0.062500000000000 ] mass: 196.966569 reduced_to: 9 - symbol: Au # 42 coordinates: [ 0.750000000000000, 0.375000000000000, 0.062500000000000 ] mass: 196.966569 reduced_to: 9 - symbol: Au # 43 coordinates: [ 0.250000000000000, 0.875000000000000, 0.062500000000000 ] mass: 196.966569 reduced_to: 9 - symbol: Au # 44 coordinates: [ 0.750000000000000, 0.875000000000000, 0.062500000000000 ] mass: 196.966569 reduced_to: 9 - symbol: Au # 45 coordinates: [ 0.250000000000000, 0.375000000000000, 0.562500000000000 ] mass: 196.966569 reduced_to: 9 - symbol: Au # 46 coordinates: [ 0.750000000000000, 0.375000000000000, 0.562500000000000 ] mass: 196.966569 reduced_to: 9 - symbol: Au # 47 coordinates: [ 0.250000000000000, 0.875000000000000, 0.562500000000000 ] mass: 196.966569 reduced_to: 9 - symbol: Au # 48 coordinates: [ 0.750000000000000, 0.875000000000000, 0.562500000000000 ] mass: 196.966569 reduced_to: 9 - symbol: Au # 49 coordinates: [ 0.250000000000000, 0.125000000000000, 0.062500000000000 ] mass: 196.966569 reduced_to: 17 - symbol: Au # 50 coordinates: [ 0.750000000000000, 0.125000000000000, 0.062500000000000 ] mass: 196.966569 reduced_to: 17 - symbol: Au # 51 coordinates: [ 0.250000000000000, 0.625000000000000, 0.062500000000000 ] mass: 196.966569 reduced_to: 17 - symbol: Au # 52 coordinates: [ 0.750000000000000, 0.625000000000000, 0.062500000000000 ] mass: 196.966569 reduced_to: 17 - symbol: Au # 53 coordinates: [ 0.250000000000000, 0.125000000000000, 0.562500000000000 ] mass: 196.966569 reduced_to: 17 - symbol: Au # 54 coordinates: [ 0.750000000000000, 0.125000000000000, 0.562500000000000 ] mass: 196.966569 reduced_to: 17 - symbol: Au # 55 coordinates: [ 0.250000000000000, 0.625000000000000, 0.562500000000000 ] mass: 196.966569 reduced_to: 17 - symbol: Au # 56 coordinates: [ 0.750000000000000, 0.625000000000000, 0.562500000000000 ] mass: 196.966569 reduced_to: 17 - symbol: Au # 57 coordinates: [ 0.375000000000000, 0.000000000000000, 0.187500000000000 ] mass: 196.966569 reduced_to: 25 - symbol: Au # 58 coordinates: [ 0.875000000000000, 0.000000000000000, 0.187500000000000 ] mass: 196.966569 reduced_to: 25 - symbol: Au # 59 coordinates: [ 0.375000000000000, 0.500000000000000, 0.187500000000000 ] mass: 196.966569 reduced_to: 25 - symbol: Au # 60 coordinates: [ 0.875000000000000, 0.500000000000000, 0.187500000000000 ] mass: 196.966569 reduced_to: 25 - symbol: Au # 61 coordinates: [ 0.375000000000000, 0.000000000000000, 0.687500000000000 ] mass: 196.966569 reduced_to: 25 - symbol: Au # 62 coordinates: [ 0.875000000000000, 0.000000000000000, 0.687500000000000 ] mass: 196.966569 reduced_to: 25 - symbol: Au # 63 coordinates: [ 0.375000000000000, 0.500000000000000, 0.687500000000000 ] mass: 196.966569 reduced_to: 25 - symbol: Au # 64 coordinates: [ 0.875000000000000, 0.500000000000000, 0.687500000000000 ] mass: 196.966569 reduced_to: 25 - symbol: Cl # 65 coordinates: [ 0.250000000000000, 0.250000000000000, 0.346507910000000 ] mass: 35.453000 reduced_to: 65 - symbol: Cl # 66 coordinates: [ 0.750000000000000, 0.250000000000000, 0.346507910000000 ] mass: 35.453000 reduced_to: 65 - symbol: Cl # 67 coordinates: [ 0.250000000000000, 0.750000000000000, 0.346507910000000 ] mass: 35.453000 reduced_to: 65 - symbol: Cl # 68 coordinates: [ 0.750000000000000, 0.750000000000000, 0.346507910000000 ] mass: 35.453000 reduced_to: 65 - symbol: Cl # 69 coordinates: [ 0.250000000000000, 0.250000000000000, 0.846507910000000 ] mass: 35.453000 reduced_to: 65 - symbol: Cl # 70 coordinates: [ 0.750000000000000, 0.250000000000000, 0.846507910000000 ] mass: 35.453000 reduced_to: 65 - symbol: Cl # 71 coordinates: [ 0.250000000000000, 0.750000000000000, 0.846507910000000 ] mass: 35.453000 reduced_to: 65 - symbol: Cl # 72 coordinates: [ 0.750000000000000, 0.750000000000000, 0.846507910000000 ] mass: 35.453000 reduced_to: 65 - symbol: Cl # 73 coordinates: [ 0.000000000000000, 0.000000000000000, 0.403492090000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 74 coordinates: [ 0.500000000000000, 0.000000000000000, 0.403492090000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 75 coordinates: [ 0.000000000000000, 0.500000000000000, 0.403492090000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 76 coordinates: [ 0.500000000000000, 0.500000000000000, 0.403492090000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 77 coordinates: [ 0.000000000000000, 0.000000000000000, 0.903492090000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 78 coordinates: [ 0.500000000000000, 0.000000000000000, 0.903492090000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 79 coordinates: [ 0.000000000000000, 0.500000000000000, 0.903492090000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 80 coordinates: [ 0.500000000000000, 0.500000000000000, 0.903492090000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 81 coordinates: [ 0.250000000000000, 0.000000000000000, 0.471507910000000 ] mass: 35.453000 reduced_to: 81 - symbol: Cl # 82 coordinates: [ 0.750000000000000, 0.000000000000000, 0.471507910000000 ] mass: 35.453000 reduced_to: 81 - symbol: Cl # 83 coordinates: [ 0.250000000000000, 0.500000000000000, 0.471507910000000 ] mass: 35.453000 reduced_to: 81 - symbol: Cl # 84 coordinates: [ 0.750000000000000, 0.500000000000000, 0.471507910000000 ] mass: 35.453000 reduced_to: 81 - symbol: Cl # 85 coordinates: [ 0.250000000000000, 0.000000000000000, 0.971507910000000 ] mass: 35.453000 reduced_to: 81 - symbol: Cl # 86 coordinates: [ 0.750000000000000, 0.000000000000000, 0.971507910000000 ] mass: 35.453000 reduced_to: 81 - symbol: Cl # 87 coordinates: [ 0.250000000000000, 0.500000000000000, 0.971507910000000 ] mass: 35.453000 reduced_to: 81 - symbol: Cl # 88 coordinates: [ 0.750000000000000, 0.500000000000000, 0.971507910000000 ] mass: 35.453000 reduced_to: 81 - symbol: Cl # 89 coordinates: [ 0.000000000000000, 0.250000000000000, 0.028492090000000 ] mass: 35.453000 reduced_to: 89 - symbol: Cl # 90 coordinates: [ 0.500000000000000, 0.250000000000000, 0.028492090000000 ] mass: 35.453000 reduced_to: 89 - symbol: Cl # 91 coordinates: [ 0.000000000000000, 0.750000000000000, 0.028492090000000 ] mass: 35.453000 reduced_to: 89 - symbol: Cl # 92 coordinates: [ 0.500000000000000, 0.750000000000000, 0.028492090000000 ] mass: 35.453000 reduced_to: 89 - symbol: Cl # 93 coordinates: [ 0.000000000000000, 0.250000000000000, 0.528492090000000 ] mass: 35.453000 reduced_to: 89 - symbol: Cl # 94 coordinates: [ 0.500000000000000, 0.250000000000000, 0.528492090000000 ] mass: 35.453000 reduced_to: 89 - symbol: Cl # 95 coordinates: [ 0.000000000000000, 0.750000000000000, 0.528492090000000 ] mass: 35.453000 reduced_to: 89 - symbol: Cl # 96 coordinates: [ 0.500000000000000, 0.750000000000000, 0.528492090000000 ] mass: 35.453000 reduced_to: 89 - symbol: Cl # 97 coordinates: [ 0.000000000000000, 0.000000000000000, 0.096507910000000 ] mass: 35.453000 reduced_to: 65 - symbol: Cl # 98 coordinates: [ 0.500000000000000, 0.000000000000000, 0.096507910000000 ] mass: 35.453000 reduced_to: 65 - symbol: Cl # 99 coordinates: [ 0.000000000000000, 0.500000000000000, 0.096507910000000 ] mass: 35.453000 reduced_to: 65 - symbol: Cl # 100 coordinates: [ 0.500000000000000, 0.500000000000000, 0.096507910000000 ] mass: 35.453000 reduced_to: 65 - symbol: Cl # 101 coordinates: [ 0.000000000000000, 0.000000000000000, 0.596507910000000 ] mass: 35.453000 reduced_to: 65 - symbol: Cl # 102 coordinates: [ 0.500000000000000, 0.000000000000000, 0.596507910000000 ] mass: 35.453000 reduced_to: 65 - symbol: Cl # 103 coordinates: [ 0.000000000000000, 0.500000000000000, 0.596507910000000 ] mass: 35.453000 reduced_to: 65 - symbol: Cl # 104 coordinates: [ 0.500000000000000, 0.500000000000000, 0.596507910000000 ] mass: 35.453000 reduced_to: 65 - symbol: Cl # 105 coordinates: [ 0.250000000000000, 0.250000000000000, 0.153492090000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 106 coordinates: [ 0.750000000000000, 0.250000000000000, 0.153492090000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 107 coordinates: [ 0.250000000000000, 0.750000000000000, 0.153492090000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 108 coordinates: [ 0.750000000000000, 0.750000000000000, 0.153492090000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 109 coordinates: [ 0.250000000000000, 0.250000000000000, 0.653492090000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 110 coordinates: [ 0.750000000000000, 0.250000000000000, 0.653492090000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 111 coordinates: [ 0.250000000000000, 0.750000000000000, 0.653492090000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 112 coordinates: [ 0.750000000000000, 0.750000000000000, 0.653492090000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 113 coordinates: [ 0.000000000000000, 0.250000000000000, 0.221507910000000 ] mass: 35.453000 reduced_to: 81 - symbol: Cl # 114 coordinates: [ 0.500000000000000, 0.250000000000000, 0.221507910000000 ] mass: 35.453000 reduced_to: 81 - symbol: Cl # 115 coordinates: [ 0.000000000000000, 0.750000000000000, 0.221507910000000 ] mass: 35.453000 reduced_to: 81 - symbol: Cl # 116 coordinates: [ 0.500000000000000, 0.750000000000000, 0.221507910000000 ] mass: 35.453000 reduced_to: 81 - symbol: Cl # 117 coordinates: [ 0.000000000000000, 0.250000000000000, 0.721507910000000 ] mass: 35.453000 reduced_to: 81 - symbol: Cl # 118 coordinates: [ 0.500000000000000, 0.250000000000000, 0.721507910000000 ] mass: 35.453000 reduced_to: 81 - symbol: Cl # 119 coordinates: [ 0.000000000000000, 0.750000000000000, 0.721507910000000 ] mass: 35.453000 reduced_to: 81 - symbol: Cl # 120 coordinates: [ 0.500000000000000, 0.750000000000000, 0.721507910000000 ] mass: 35.453000 reduced_to: 81 - symbol: Cl # 121 coordinates: [ 0.250000000000000, 0.000000000000000, 0.278492090000000 ] mass: 35.453000 reduced_to: 89 - symbol: Cl # 122 coordinates: [ 0.750000000000000, 0.000000000000000, 0.278492090000000 ] mass: 35.453000 reduced_to: 89 - symbol: Cl # 123 coordinates: [ 0.250000000000000, 0.500000000000000, 0.278492090000000 ] mass: 35.453000 reduced_to: 89 - symbol: Cl # 124 coordinates: [ 0.750000000000000, 0.500000000000000, 0.278492090000000 ] mass: 35.453000 reduced_to: 89 - symbol: Cl # 125 coordinates: [ 0.250000000000000, 0.000000000000000, 0.778492090000000 ] mass: 35.453000 reduced_to: 89 - symbol: Cl # 126 coordinates: [ 0.750000000000000, 0.000000000000000, 0.778492090000000 ] mass: 35.453000 reduced_to: 89 - symbol: Cl # 127 coordinates: [ 0.250000000000000, 0.500000000000000, 0.778492090000000 ] mass: 35.453000 reduced_to: 89 - symbol: Cl # 128 coordinates: [ 0.750000000000000, 0.500000000000000, 0.778492090000000 ] mass: 35.453000 reduced_to: 89born_effective_charge:- # 1 (Au) - [ 1.100939710000000, 0.000000000000000, 0.607028370000000 ] - [ 0.000000000000000, 0.356636390000000, 0.000000000000000 ] - [ 0.336755450000000, 0.000000000000000, 0.775578180000000 ]- # 2 (Au) - [ 0.356636390000000, -0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 1.100939710000000, -0.607028370000000 ] - [ 0.000000000000000, -0.336755450000000, 0.775578180000000 ]- # 3 (Au) - [ 0.356636390000000, -0.000000000000000, -0.000000000000000 ] - [ -0.000000000000000, 1.100939710000000, 0.607028370000000 ] - [ -0.000000000000000, 0.336755450000000, 0.775578180000000 ]- # 4 (Au) - [ 1.100939710000000, 0.000000000000000, -0.607028370000000 ] - [ 0.000000000000000, 0.356636390000000, -0.000000000000000 ] - [ -0.336755450000000, -0.000000000000000, 0.775578180000000 ]- # 5 (Cl) - [ -1.154387760000000, -0.000000000000000, -0.000000000000000 ] - [ -0.000000000000000, -0.303188340000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.775578180000000 ]- # 6 (Cl) - [ -0.303188340000000, -0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -1.154387760000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.775578180000000 ]- # 7 (Cl) - [ -0.303188340000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.154387760000000, 0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, -0.775578180000000 ]- # 8 (Cl) - [ -1.154387760000000, 0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, -0.303188340000000, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, -0.775578180000000 ]dielectric_constant: - [ 5.932578010000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 5.932578010000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 6.929348450000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1194315500000000, 0.0000000000000000, -0.0913562300000000 ] - [ 0.0005523000000000, 0.0000000000000000, 0.0005547200000000 ] - [ -0.0001125700000000, 0.0000000000000000, -0.0000275400000000 ] - [ 0.0000553800000000, 0.0000000000000000, 0.0000083200000000 ] - [ -0.0000548700000000, 0.0000000000000000, -0.0000003500000000 ] - [ 0.0000590800000000, 0.0000000000000000, 0.0000458900000000 ] - [ -0.0000284200000000, 0.0000000000000000, 0.0000048700000000 ] - [ 0.0000230600000000, 0.0000000000000000, 0.0000223500000000 ] - [ -0.0003420200000000, -0.0002341900000000, -0.0004227900000000 ] - [ 0.0001356000000000, 0.0002046900000000, -0.0000679500000000 ] - [ 0.0000185700000000, 0.0002057000000000, 0.0000527700000000 ] - [ -0.0000044100000000, -0.0000598500000000, 0.0000381600000000 ] - [ 0.0000058100000000, -0.0002723200000000, 0.0000949200000000 ] - [ 0.0000191900000000, 0.0000105700000000, -0.0000102200000000 ] - [ -0.0000210800000000, 0.0000109800000000, 0.0000023600000000 ] - [ 0.0000129200000000, -0.0000043300000000, 0.0000026600000000 ] - [ 0.0000185700000000, -0.0002057000000000, 0.0000527700000000 ] - [ -0.0000044100000000, 0.0000598500000000, 0.0000381600000000 ] - [ -0.0003420200000000, 0.0002341900000000, -0.0004227900000000 ] - [ 0.0001356000000000, -0.0002046900000000, -0.0000679500000000 ] - [ -0.0000210800000000, -0.0000109800000000, 0.0000023600000000 ] - [ 0.0000129200000000, 0.0000043300000000, 0.0000026600000000 ] - [ 0.0000058100000000, 0.0002723200000000, 0.0000949200000000 ] - [ 0.0000191900000000, -0.0000105700000000, -0.0000102200000000 ] - [ -0.0002304100000000, -0.0000597500000000, 0.0001051100000000 ] - [ 0.0001112800000000, 0.0000217100000000, -0.0000398500000000 ] - [ -0.0002304100000000, 0.0000597500000000, 0.0001051100000000 ] - [ 0.0001112800000000, -0.0000217100000000, -0.0000398500000000 ] - [ -0.0002324400000000, 0.0000604500000000, 0.0001056400000000 ] - [ 0.0001127200000000, -0.0000225200000000, -0.0000407300000000 ] - [ -0.0002324400000000, -0.0000604500000000, 0.0001056400000000 ] - [ 0.0001127200000000, 0.0000225200000000, -0.0000407300000000 ] - [ 0.0001060900000000, 0.0000205100000000, 0.0000877900000000 ] - [ -0.0000442200000000, 0.0000848000000000, 0.0001312400000000 ] - [ 0.0001060900000000, -0.0000205100000000, 0.0000877900000000 ] - [ -0.0000442200000000, -0.0000848000000000, 0.0001312400000000 ] - [ -0.0000418000000000, -0.0000834400000000, 0.0001310500000000 ] - [ 0.0001059500000000, -0.0000210100000000, 0.0000887500000000 ] - [ -0.0000418000000000, 0.0000834400000000, 0.0001310500000000 ] - [ 0.0001059500000000, 0.0000210100000000, 0.0000887500000000 ] - [ 0.0000170000000000, 0.0002087300000000, 0.0000536400000000 ] - [ -0.0000041700000000, -0.0000609500000000, 0.0000385300000000 ] - [ -0.0003093700000000, -0.0002725100000000, -0.0004902300000000 ] - [ 0.0001398500000000, 0.0002097300000000, -0.0000658400000000 ] - [ -0.0000208200000000, 0.0000105600000000, 0.0000023500000000 ] - [ 0.0000122600000000, -0.0000042500000000, 0.0000037800000000 ] - [ 0.0000054300000000, -0.0002702800000000, 0.0000939900000000 ] - [ 0.0000181600000000, 0.0000109500000000, -0.0000094900000000 ] - [ -0.0003093700000000, 0.0002725100000000, -0.0004902300000000 ] - [ 0.0001398500000000, -0.0002097300000000, -0.0000658400000000 ] - [ 0.0000170000000000, -0.0002087300000000, 0.0000536400000000 ] - [ -0.0000041700000000, 0.0000609500000000, 0.0000385300000000 ] - [ 0.0000054300000000, 0.0002702800000000, 0.0000939900000000 ] - [ 0.0000181600000000, -0.0000109500000000, -0.0000094900000000 ] - [ -0.0000208200000000, -0.0000105600000000, 0.0000023500000000 ] - [ 0.0000122600000000, 0.0000042500000000, 0.0000037800000000 ] - [ 0.0062287700000000, 0.0000000000000000, -0.0008176700000000 ] - [ 0.0061487300000000, 0.0000000000000000, -0.0008233300000000 ] - [ 0.0000573300000000, 0.0000000000000000, -0.0000074500000000 ] - [ 0.0000568700000000, 0.0000000000000000, -0.0000073500000000 ] - [ -0.0000049100000000, 0.0000000000000000, 0.0000229100000000 ] - [ -0.0000058000000000, 0.0000000000000000, 0.0000232700000000 ] - [ 0.0000082400000000, 0.0000000000000000, 0.0000092900000000 ] - [ 0.0000084200000000, 0.0000000000000000, 0.0000095100000000 ] - [ 0.0001099600000000, -0.0000579700000000, -0.0038978500000000 ] - [ -0.0001119500000000, -0.0000053200000000, -0.0036650400000000 ] - [ 0.0001099600000000, 0.0000579700000000, -0.0038978500000000 ] - [ -0.0001119500000000, 0.0000053200000000, -0.0036650400000000 ] - [ 0.0000430300000000, -0.0000154700000000, -0.0037220600000000 ] - [ -0.0000496000000000, 0.0000143300000000, -0.0037176300000000 ] - [ 0.0000430300000000, 0.0000154700000000, -0.0037220600000000 ] - [ -0.0000496000000000, -0.0000143300000000, -0.0037176300000000 ] - [ 0.0002297300000000, 0.0000000000000000, 0.0018831600000000 ] - [ -0.0000524800000000, 0.0000000000000000, 0.0038368100000000 ] - [ 0.0000041200000000, 0.0000000000000000, 0.0035869300000000 ] - [ -0.0000087300000000, 0.0000000000000000, 0.0036964200000000 ] - [ -0.0000293900000000, 0.0000000000000000, 0.0033566400000000 ] - [ -0.0000201000000000, 0.0000000000000000, 0.0037215500000000 ] - [ 0.0000135300000000, 0.0000000000000000, 0.0036778800000000 ] - [ -0.0000156500000000, 0.0000000000000000, 0.0037009300000000 ] - [ -0.0000281200000000, 0.0000000000000000, -0.0040286300000000 ] - [ -0.0000200200000000, 0.0000000000000000, -0.0036601000000000 ] - [ 0.0000135900000000, 0.0000000000000000, -0.0037038100000000 ] - [ -0.0000150100000000, 0.0000000000000000, -0.0036814700000000 ] - [ 0.0002211700000000, 0.0000000000000000, -0.0054908200000000 ] - [ -0.0000550900000000, 0.0000000000000000, -0.0035482600000000 ] - [ 0.0000053100000000, 0.0000000000000000, -0.0037953400000000 ] - [ -0.0000088500000000, 0.0000000000000000, -0.0036836000000000 ] - [ 0.0001107000000000, 0.0000592800000000, 0.0034831300000000 ] - [ -0.0001175000000000, 0.0000054400000000, 0.0037162600000000 ] - [ 0.0001107000000000, -0.0000592800000000, 0.0034831300000000 ] - [ -0.0001175000000000, -0.0000054400000000, 0.0037162600000000 ] - [ 0.0000409900000000, 0.0000146300000000, 0.0036583100000000 ] - [ -0.0000490800000000, -0.0000141500000000, 0.0036641500000000 ] - [ 0.0000409900000000, -0.0000146300000000, 0.0036583100000000 ] - [ -0.0000490800000000, 0.0000141500000000, 0.0036641500000000 ] - [ 0.0529329000000000, 0.0000000000000000, 0.0443054200000000 ] - [ -0.0004590900000000, 0.0000000000000000, -0.0043882300000000 ] - [ 0.0000311200000000, 0.0000000000000000, -0.0036305300000000 ] - [ -0.0000263900000000, 0.0000000000000000, -0.0036881600000000 ] - [ 0.0000693000000000, 0.0000000000000000, -0.0037514800000000 ] - [ -0.0000586700000000, 0.0000000000000000, -0.0037065200000000 ] - [ 0.0000195000000000, 0.0000000000000000, -0.0037063500000000 ] - [ -0.0000208300000000, 0.0000000000000000, -0.0037035400000000 ] - [ 0.0001164400000000, 0.0014052000000000, 0.0039598500000000 ] - [ -0.0000236000000000, 0.0000728700000000, 0.0036458300000000 ] - [ 0.0001164400000000, -0.0014052000000000, 0.0039598500000000 ] - [ -0.0000236000000000, -0.0000728700000000, 0.0036458300000000 ] - [ 0.0000043400000000, -0.0000699400000000, 0.0036787900000000 ] - [ -0.0000128500000000, 0.0000011900000000, 0.0036885300000000 ] - [ 0.0000043400000000, 0.0000699400000000, 0.0036787900000000 ] - [ -0.0000128500000000, -0.0000011900000000, 0.0036885300000000 ] - [ 0.0001225600000000, -0.0013987000000000, -0.0034199100000000 ] - [ -0.0000228200000000, -0.0000693100000000, -0.0037364700000000 ] - [ 0.0001225600000000, 0.0013987000000000, -0.0034199100000000 ] - [ -0.0000228200000000, 0.0000693100000000, -0.0037364700000000 ] - [ 0.0000046500000000, 0.0000704900000000, -0.0037036000000000 ] - [ -0.0000129300000000, -0.0000011000000000, -0.0036919200000000 ] - [ 0.0000046500000000, -0.0000704900000000, -0.0037036000000000 ] - [ -0.0000129300000000, 0.0000011000000000, -0.0036919200000000 ] - [ 0.0547489700000000, 0.0000000000000000, 0.0539767400000000 ] - [ -0.0004897000000000, 0.0000000000000000, 0.0030114700000000 ] - [ 0.0000306200000000, 0.0000000000000000, 0.0037502400000000 ] - [ -0.0000258600000000, 0.0000000000000000, 0.0036924000000000 ] - [ 0.0000698400000000, 0.0000000000000000, 0.0036301100000000 ] - [ -0.0000588100000000, 0.0000000000000000, 0.0036741200000000 ] - [ 0.0000199200000000, 0.0000000000000000, 0.0036753800000000 ] - [ -0.0000217400000000, 0.0000000000000000, 0.0036774300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0149541400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002062800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001141500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000108700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000151200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000095600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000061200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000246000000000, 0.0000000000000000 ] - [ 0.0008676000000000, -0.0003162200000000, -0.0004188900000000 ] - [ -0.0000096200000000, 0.0000170600000000, -0.0000164600000000 ] - [ -0.0000082500000000, 0.0001378100000000, -0.0000071700000000 ] - [ -0.0000002500000000, -0.0000038200000000, 0.0000031900000000 ] - [ -0.0000286200000000, 0.0000039300000000, -0.0000019000000000 ] - [ 0.0000146900000000, -0.0000213700000000, -0.0000071600000000 ] - [ 0.0000144300000000, 0.0000183900000000, 0.0000027800000000 ] - [ -0.0000171100000000, 0.0000126900000000, -0.0000020000000000 ] - [ 0.0000095200000000, 0.0001379800000000, 0.0000087700000000 ] - [ 0.0000003600000000, -0.0000048700000000, -0.0000037600000000 ] - [ -0.0008837700000000, -0.0003352300000000, 0.0004501100000000 ] - [ 0.0000079900000000, 0.0000187100000000, 0.0000172600000000 ] - [ -0.0000146900000000, 0.0000189300000000, -0.0000031400000000 ] - [ 0.0000173900000000, 0.0000125800000000, 0.0000017300000000 ] - [ 0.0000291900000000, 0.0000072000000000, 0.0000027200000000 ] - [ -0.0000144900000000, -0.0000208200000000, 0.0000072100000000 ] - [ 0.0000607700000000, 0.0000604800000000, 0.0000101900000000 ] - [ -0.0000224900000000, -0.0000088500000000, 0.0000248700000000 ] - [ -0.0000594200000000, 0.0000596000000000, -0.0000088400000000 ] - [ 0.0000216500000000, -0.0000082100000000, -0.0000249800000000 ] - [ -0.0000607700000000, 0.0000604800000000, -0.0000101900000000 ] - [ 0.0000224900000000, -0.0000088500000000, -0.0000248700000000 ] - [ 0.0000594200000000, 0.0000596000000000, 0.0000088400000000 ] - [ -0.0000216500000000, -0.0000082100000000, 0.0000249800000000 ] - [ 0.0000211000000000, -0.0000341900000000, 0.0000030400000000 ] - [ 0.0000839900000000, -0.0001401300000000, -0.0001440800000000 ] - [ -0.0000204600000000, -0.0000337900000000, -0.0000033800000000 ] - [ -0.0000844300000000, -0.0001390100000000, 0.0001429400000000 ] - [ -0.0000839900000000, -0.0001401300000000, 0.0001440800000000 ] - [ -0.0000211000000000, -0.0000341900000000, -0.0000030400000000 ] - [ 0.0000844300000000, -0.0001390100000000, -0.0001429400000000 ] - [ 0.0000204600000000, -0.0000337900000000, 0.0000033800000000 ] - [ -0.0000095200000000, 0.0001379800000000, -0.0000087700000000 ] - [ -0.0000003600000000, -0.0000048700000000, 0.0000037600000000 ] - [ 0.0008837700000000, -0.0003352300000000, -0.0004501100000000 ] - [ -0.0000079900000000, 0.0000187100000000, -0.0000172600000000 ] - [ 0.0000146900000000, 0.0000189300000000, 0.0000031400000000 ] - [ -0.0000173900000000, 0.0000125800000000, -0.0000017300000000 ] - [ -0.0000291900000000, 0.0000072000000000, -0.0000027200000000 ] - [ 0.0000144900000000, -0.0000208200000000, -0.0000072100000000 ] - [ -0.0008676000000000, -0.0003162200000000, 0.0004188900000000 ] - [ 0.0000096200000000, 0.0000170600000000, 0.0000164600000000 ] - [ 0.0000082500000000, 0.0001378100000000, 0.0000071700000000 ] - [ 0.0000002500000000, -0.0000038200000000, -0.0000031900000000 ] - [ 0.0000286200000000, 0.0000039300000000, 0.0000019000000000 ] - [ -0.0000146900000000, -0.0000213700000000, 0.0000071600000000 ] - [ -0.0000144300000000, 0.0000183900000000, -0.0000027800000000 ] - [ 0.0000171100000000, 0.0000126900000000, 0.0000020000000000 ] - [ -0.0000174100000000, -0.0005445100000000, 0.0000117900000000 ] - [ 0.0000174100000000, -0.0005445100000000, -0.0000117900000000 ] - [ 0.0000000200000000, 0.0000094700000000, -0.0000004700000000 ] - [ -0.0000000200000000, 0.0000094700000000, 0.0000004700000000 ] - [ 0.0000003200000000, -0.0000050900000000, -0.0000001000000000 ] - [ -0.0000003200000000, -0.0000050900000000, 0.0000001000000000 ] - [ 0.0000001000000000, 0.0000109200000000, -0.0000000200000000 ] - [ -0.0000001000000000, 0.0000109200000000, 0.0000000200000000 ] - [ -0.0001328400000000, 0.0000644100000000, -0.0036783900000000 ] - [ 0.0000342900000000, 0.0000194800000000, -0.0037336400000000 ] - [ 0.0001321300000000, 0.0000659900000000, -0.0036951700000000 ] - [ -0.0000317900000000, 0.0000196300000000, -0.0036396100000000 ] - [ -0.0000312300000000, -0.0000039600000000, -0.0036891100000000 ] - [ 0.0000118500000000, 0.0000117900000000, -0.0036877800000000 ] - [ 0.0000314500000000, -0.0000036500000000, -0.0036837700000000 ] - [ -0.0000120000000000, 0.0000121100000000, -0.0036869400000000 ] - [ 0.0000011700000000, -0.0010133100000000, 0.0036816900000000 ] - [ 0.0000012800000000, -0.0000672800000000, 0.0036879100000000 ] - [ -0.0000004400000000, -0.0000381800000000, 0.0036874500000000 ] - [ -0.0000001400000000, -0.0000133200000000, 0.0036868100000000 ] - [ -0.0000005500000000, -0.0000600800000000, 0.0036857200000000 ] - [ -0.0000001700000000, 0.0000330200000000, 0.0036866900000000 ] - [ -0.0000000300000000, -0.0000389500000000, 0.0036867000000000 ] - [ -0.0000002200000000, -0.0000511200000000, 0.0036867300000000 ] - [ 0.0000005500000000, -0.0000600800000000, -0.0036857200000000 ] - [ 0.0000001700000000, 0.0000330200000000, -0.0036866900000000 ] - [ 0.0000000300000000, -0.0000389500000000, -0.0036867000000000 ] - [ 0.0000002200000000, -0.0000511200000000, -0.0036867300000000 ] - [ -0.0000011700000000, -0.0010133100000000, -0.0036816900000000 ] - [ -0.0000012800000000, -0.0000672800000000, -0.0036879100000000 ] - [ 0.0000004400000000, -0.0000381800000000, -0.0036874500000000 ] - [ 0.0000001400000000, -0.0000133200000000, -0.0036868100000000 ] - [ 0.0001328400000000, 0.0000644100000000, 0.0036783900000000 ] - [ -0.0000342900000000, 0.0000194800000000, 0.0037336400000000 ] - [ -0.0001321300000000, 0.0000659900000000, 0.0036951700000000 ] - [ 0.0000317900000000, 0.0000196300000000, 0.0036396100000000 ] - [ 0.0000312300000000, -0.0000039600000000, 0.0036891100000000 ] - [ -0.0000118500000000, 0.0000117900000000, 0.0036877800000000 ] - [ -0.0000314500000000, -0.0000036500000000, 0.0036837700000000 ] - [ 0.0000120000000000, 0.0000121100000000, 0.0036869400000000 ] - [ 0.0000607400000000, 0.0058022400000000, -0.0036095300000000 ] - [ 0.0000003600000000, -0.0000462300000000, -0.0036865300000000 ] - [ 0.0000005100000000, -0.0000224900000000, -0.0036866600000000 ] - [ -0.0000005400000000, 0.0000013000000000, -0.0036869600000000 ] - [ -0.0000002900000000, 0.0000077300000000, -0.0036872200000000 ] - [ 0.0000000900000000, 0.0000055700000000, -0.0036867500000000 ] - [ -0.0000001100000000, -0.0000021300000000, -0.0036870700000000 ] - [ 0.0000001600000000, -0.0000087100000000, -0.0036867500000000 ] - [ 0.0004960500000000, 0.0018550500000000, 0.0042823700000000 ] - [ -0.0000106500000000, 0.0000337800000000, 0.0036895700000000 ] - [ -0.0004915100000000, 0.0018437500000000, 0.0030996300000000 ] - [ 0.0000102100000000, 0.0000312000000000, 0.0036839300000000 ] - [ -0.0000089700000000, -0.0000127000000000, 0.0036703400000000 ] - [ 0.0000072500000000, -0.0000004800000000, 0.0036650500000000 ] - [ 0.0000087700000000, -0.0000139100000000, 0.0037035700000000 ] - [ -0.0000072200000000, -0.0000009100000000, 0.0037083500000000 ] - [ -0.0004960500000000, 0.0018550500000000, -0.0042823700000000 ] - [ 0.0000106500000000, 0.0000337800000000, -0.0036895700000000 ] - [ 0.0004915100000000, 0.0018437500000000, -0.0030996300000000 ] - [ -0.0000102100000000, 0.0000312000000000, -0.0036839300000000 ] - [ 0.0000089700000000, -0.0000127000000000, -0.0036703400000000 ] - [ -0.0000072500000000, -0.0000004800000000, -0.0036650500000000 ] - [ -0.0000087700000000, -0.0000139100000000, -0.0037035700000000 ] - [ 0.0000072200000000, -0.0000009100000000, -0.0037083500000000 ] - [ -0.0000607400000000, 0.0058022400000000, 0.0036095300000000 ] - [ -0.0000003600000000, -0.0000462300000000, 0.0036865300000000 ] - [ -0.0000005100000000, -0.0000224900000000, 0.0036866600000000 ] - [ 0.0000005400000000, 0.0000013000000000, 0.0036869600000000 ] - [ 0.0000002900000000, 0.0000077300000000, 0.0036872200000000 ] - [ -0.0000000900000000, 0.0000055700000000, 0.0036867500000000 ] - [ 0.0000001100000000, -0.0000021300000000, 0.0036870700000000 ] - [ -0.0000001600000000, -0.0000087100000000, 0.0036867500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0913468100000000, 0.0000000000000000, -0.0930331000000000 ] - [ 0.0005546400000000, 0.0000000000000000, -0.0003696000000000 ] - [ -0.0000276000000000, 0.0000000000000000, -0.0000772800000000 ] - [ 0.0000081400000000, 0.0000000000000000, -0.0000420800000000 ] - [ -0.0000001300000000, 0.0000000000000000, 0.0000358300000000 ] - [ 0.0000459500000000, 0.0000000000000000, 0.0000718200000000 ] - [ 0.0000047300000000, 0.0000000000000000, 0.0000495100000000 ] - [ 0.0000223100000000, 0.0000000000000000, 0.0000716200000000 ] - [ 0.0004077000000000, 0.0004852900000000, -0.0001677100000000 ] - [ 0.0000054900000000, -0.0000551400000000, -0.0000582100000000 ] - [ 0.0000176500000000, 0.0000673600000000, -0.0000572400000000 ] - [ -0.0000033700000000, -0.0000375500000000, -0.0000040200000000 ] - [ 0.0000026300000000, -0.0000957100000000, 0.0001268100000000 ] - [ -0.0000027000000000, -0.0000025800000000, 0.0000475100000000 ] - [ 0.0000070000000000, 0.0000100600000000, 0.0000472600000000 ] - [ 0.0000020200000000, -0.0000030700000000, 0.0000610500000000 ] - [ 0.0000176500000000, -0.0000673600000000, -0.0000572400000000 ] - [ -0.0000033700000000, 0.0000375500000000, -0.0000040200000000 ] - [ 0.0004077000000000, -0.0004852900000000, -0.0001677100000000 ] - [ 0.0000054900000000, 0.0000551400000000, -0.0000582100000000 ] - [ 0.0000070000000000, -0.0000100600000000, 0.0000472600000000 ] - [ 0.0000020200000000, 0.0000030700000000, 0.0000610500000000 ] - [ 0.0000026300000000, 0.0000957100000000, 0.0001268100000000 ] - [ -0.0000027000000000, 0.0000025800000000, 0.0000475100000000 ] - [ -0.0001047100000000, 0.0000098500000000, 0.0001100500000000 ] - [ 0.0000398300000000, 0.0000247000000000, 0.0000777200000000 ] - [ -0.0001047100000000, -0.0000098500000000, 0.0001100500000000 ] - [ 0.0000398300000000, -0.0000247000000000, 0.0000777200000000 ] - [ -0.0001059500000000, -0.0000092900000000, 0.0001094000000000 ] - [ 0.0000408900000000, -0.0000251600000000, 0.0000772600000000 ] - [ -0.0001059500000000, 0.0000092900000000, 0.0001094000000000 ] - [ 0.0000408900000000, 0.0000251600000000, 0.0000772600000000 ] - [ 0.0000883900000000, 0.0000029700000000, 0.0001311900000000 ] - [ 0.0001315600000000, -0.0001441100000000, -0.0001260600000000 ] - [ 0.0000883900000000, -0.0000029700000000, 0.0001311900000000 ] - [ 0.0001315600000000, 0.0001441100000000, -0.0001260600000000 ] - [ 0.0001306900000000, 0.0001430400000000, -0.0001246500000000 ] - [ 0.0000881800000000, -0.0000034900000000, 0.0001320100000000 ] - [ 0.0001306900000000, -0.0001430400000000, -0.0001246500000000 ] - [ 0.0000881800000000, 0.0000034900000000, 0.0001320100000000 ] - [ 0.0000158800000000, 0.0000664200000000, -0.0000581000000000 ] - [ -0.0000033900000000, -0.0000388100000000, -0.0000033100000000 ] - [ 0.0004606100000000, 0.0004278700000000, -0.0002281500000000 ] - [ 0.0000104400000000, -0.0000512200000000, -0.0000571800000000 ] - [ 0.0000072400000000, 0.0000104900000000, 0.0000474700000000 ] - [ 0.0000018400000000, -0.0000032100000000, 0.0000616600000000 ] - [ 0.0000017000000000, -0.0000932500000000, 0.0001259800000000 ] - [ -0.0000037200000000, -0.0000022000000000, 0.0000474500000000 ] - [ 0.0004606100000000, -0.0004278700000000, -0.0002281500000000 ] - [ 0.0000104400000000, 0.0000512200000000, -0.0000571800000000 ] - [ 0.0000158800000000, -0.0000664200000000, -0.0000581000000000 ] - [ -0.0000033900000000, 0.0000388100000000, -0.0000033100000000 ] - [ 0.0000017000000000, 0.0000932500000000, 0.0001259800000000 ] - [ -0.0000037200000000, 0.0000022000000000, 0.0000474500000000 ] - [ 0.0000072400000000, -0.0000104900000000, 0.0000474700000000 ] - [ 0.0000018400000000, 0.0000032100000000, 0.0000616600000000 ] - [ 0.0007911600000000, 0.0000000000000000, -0.0018187100000000 ] - [ 0.0008503700000000, 0.0000000000000000, -0.0018350300000000 ] - [ 0.0000077200000000, 0.0000000000000000, -0.0000698000000000 ] - [ 0.0000073200000000, 0.0000000000000000, -0.0000689700000000 ] - [ -0.0000225800000000, 0.0000000000000000, 0.0000475900000000 ] - [ -0.0000233400000000, 0.0000000000000000, 0.0000479600000000 ] - [ -0.0000093500000000, 0.0000000000000000, 0.0000588700000000 ] - [ -0.0000095900000000, 0.0000000000000000, 0.0000590100000000 ] - [ -0.0000483300000000, -0.0000738200000000, -0.0038817800000000 ] - [ -0.0000794600000000, 0.0000366000000000, -0.0037557200000000 ] - [ -0.0000483300000000, 0.0000738200000000, -0.0038817800000000 ] - [ -0.0000794600000000, -0.0000366000000000, -0.0037557200000000 ] - [ 0.0000569100000000, -0.0000010600000000, -0.0036964500000000 ] - [ -0.0000174300000000, 0.0000104200000000, -0.0037517900000000 ] - [ 0.0000569100000000, 0.0000010600000000, -0.0036964500000000 ] - [ -0.0000174300000000, -0.0000104200000000, -0.0037517900000000 ] - [ -0.0009417400000000, 0.0000000000000000, 0.0067614600000000 ] - [ -0.0001693500000000, 0.0000000000000000, 0.0036396500000000 ] - [ -0.0000021500000000, 0.0000000000000000, 0.0037259300000000 ] - [ 0.0000012800000000, 0.0000000000000000, 0.0037225900000000 ] - [ -0.0000277800000000, 0.0000000000000000, 0.0037051300000000 ] - [ -0.0000036400000000, 0.0000000000000000, 0.0036285000000000 ] - [ 0.0000005700000000, 0.0000000000000000, 0.0036483600000000 ] - [ -0.0000008900000000, 0.0000000000000000, 0.0036321100000000 ] - [ -0.0000267200000000, 0.0000000000000000, -0.0036746700000000 ] - [ -0.0000034800000000, 0.0000000000000000, -0.0037490800000000 ] - [ 0.0000006100000000, 0.0000000000000000, -0.0037295500000000 ] - [ -0.0000004000000000, 0.0000000000000000, -0.0037466000000000 ] - [ -0.0009257700000000, 0.0000000000000000, -0.0006483000000000 ] - [ -0.0001714900000000, 0.0000000000000000, -0.0037411200000000 ] - [ -0.0000011200000000, 0.0000000000000000, -0.0036517100000000 ] - [ 0.0000014500000000, 0.0000000000000000, -0.0036545500000000 ] - [ -0.0000466700000000, 0.0000750800000000, 0.0034948800000000 ] - [ -0.0000816600000000, -0.0000361300000000, 0.0036225100000000 ] - [ -0.0000466700000000, -0.0000750800000000, 0.0034948800000000 ] - [ -0.0000816600000000, 0.0000361300000000, 0.0036225100000000 ] - [ 0.0000564200000000, 0.0000006000000000, 0.0036805600000000 ] - [ -0.0000169700000000, -0.0000102100000000, 0.0036267600000000 ] - [ 0.0000564200000000, -0.0000006000000000, 0.0036805600000000 ] - [ -0.0000169700000000, 0.0000102100000000, 0.0036267600000000 ] - [ 0.0441924600000000, 0.0000000000000000, 0.0428049600000000 ] - [ 0.0000957300000000, 0.0000000000000000, -0.0036065900000000 ] - [ 0.0000243800000000, 0.0000000000000000, -0.0036311700000000 ] - [ -0.0000213000000000, 0.0000000000000000, -0.0036260200000000 ] - [ 0.0000247600000000, 0.0000000000000000, -0.0037336900000000 ] - [ -0.0000153800000000, 0.0000000000000000, -0.0037381200000000 ] - [ 0.0000019800000000, 0.0000000000000000, -0.0037419300000000 ] - [ -0.0000001200000000, 0.0000000000000000, -0.0037565500000000 ] - [ -0.0002904600000000, -0.0010485400000000, 0.0031971400000000 ] - [ -0.0000166300000000, 0.0000676900000000, 0.0036935100000000 ] - [ -0.0002904600000000, 0.0010485400000000, 0.0031971400000000 ] - [ -0.0000166300000000, -0.0000676900000000, 0.0036935100000000 ] - [ -0.0000012300000000, -0.0000002500000000, 0.0036324700000000 ] - [ -0.0000010900000000, 0.0000127500000000, 0.0036128200000000 ] - [ -0.0000012300000000, 0.0000002500000000, 0.0036324700000000 ] - [ -0.0000010900000000, -0.0000127500000000, 0.0036128200000000 ] - [ -0.0002896000000000, 0.0010417300000000, -0.0041849500000000 ] - [ -0.0000157200000000, -0.0000646000000000, -0.0036852000000000 ] - [ -0.0002896000000000, -0.0010417300000000, -0.0041849500000000 ] - [ -0.0000157200000000, 0.0000646000000000, -0.0036852000000000 ] - [ -0.0000009700000000, 0.0000018200000000, -0.0037469700000000 ] - [ -0.0000011700000000, -0.0000121000000000, -0.0037652100000000 ] - [ -0.0000009700000000, -0.0000018200000000, -0.0037469700000000 ] - [ -0.0000011700000000, 0.0000121000000000, -0.0037652100000000 ] - [ 0.0461491000000000, 0.0000000000000000, 0.0513870400000000 ] - [ 0.0000673900000000, 0.0000000000000000, 0.0037840700000000 ] - [ 0.0000234500000000, 0.0000000000000000, 0.0037458100000000 ] - [ -0.0000200500000000, 0.0000000000000000, 0.0037513200000000 ] - [ 0.0000251800000000, 0.0000000000000000, 0.0036458200000000 ] - [ -0.0000153000000000, 0.0000000000000000, 0.0036395900000000 ] - [ 0.0000025400000000, 0.0000000000000000, 0.0036366700000000 ] - [ -0.0000008300000000, 0.0000000000000000, 0.0036214500000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001107900000000, -0.0001327000000000, -0.0000474400000000 ] - [ -0.0001153900000000, 0.0000335800000000, -0.0000795800000000 ] - [ 0.0001107900000000, 0.0001327000000000, -0.0000474400000000 ] - [ -0.0001153900000000, -0.0000335800000000, -0.0000795800000000 ] - [ 0.0000410600000000, -0.0000311600000000, 0.0000563800000000 ] - [ -0.0000490800000000, 0.0000119900000000, -0.0000170500000000 ] - [ 0.0000410600000000, 0.0000311600000000, 0.0000563800000000 ] - [ -0.0000490800000000, -0.0000119900000000, -0.0000170500000000 ] - [ 0.0018442500000000, 0.0013963900000000, 0.0010427000000000 ] - [ 0.0018539000000000, -0.0014073100000000, -0.0010477700000000 ] - [ 0.0000326000000000, 0.0000708900000000, -0.0000658500000000 ] - [ 0.0000323400000000, -0.0000715100000000, 0.0000664600000000 ] - [ -0.0000135800000000, -0.0000699100000000, 0.0000011300000000 ] - [ -0.0000136800000000, 0.0000712000000000, -0.0000010900000000 ] - [ -0.0000013500000000, 0.0000009600000000, -0.0000123400000000 ] - [ -0.0000011700000000, -0.0000010600000000, 0.0000125600000000 ] - [ 0.0018442500000000, -0.0013963900000000, 0.0010427000000000 ] - [ 0.0018539000000000, 0.0014073100000000, -0.0010477700000000 ] - [ 0.0000326000000000, -0.0000708900000000, -0.0000658500000000 ] - [ 0.0000323400000000, 0.0000715100000000, 0.0000664600000000 ] - [ -0.0000135800000000, 0.0000699100000000, 0.0000011300000000 ] - [ -0.0000136800000000, -0.0000712000000000, -0.0000010900000000 ] - [ -0.0000013500000000, -0.0000009600000000, -0.0000123400000000 ] - [ -0.0000011700000000, 0.0000010600000000, 0.0000125600000000 ] - [ 0.0529453500000000, 0.0000000000000000, -0.0441756100000000 ] - [ -0.0004739600000000, 0.0000000000000000, -0.0000764800000000 ] - [ 0.0000308000000000, 0.0000000000000000, -0.0000235900000000 ] - [ -0.0000264900000000, 0.0000000000000000, 0.0000207900000000 ] - [ 0.0000701000000000, 0.0000000000000000, -0.0000248700000000 ] - [ -0.0000582800000000, 0.0000000000000000, 0.0000151900000000 ] - [ 0.0000199100000000, 0.0000000000000000, -0.0000022700000000 ] - [ -0.0000209700000000, 0.0000000000000000, 0.0000002400000000 ] - [ 0.0547390600000000, 0.0000000000000000, 0.0461732400000000 ] - [ -0.0004762600000000, 0.0000000000000000, 0.0000861600000000 ] - [ 0.0000311000000000, 0.0000000000000000, 0.0000237400000000 ] - [ -0.0000267800000000, 0.0000000000000000, -0.0000209000000000 ] - [ 0.0000706800000000, 0.0000000000000000, 0.0000250400000000 ] - [ -0.0000584300000000, 0.0000000000000000, -0.0000155600000000 ] - [ 0.0000199100000000, 0.0000000000000000, 0.0000022500000000 ] - [ -0.0000214000000000, 0.0000000000000000, -0.0000005900000000 ] - [ -0.0000603700000000, 0.0000005500000000, 0.0000012700000000 ] - [ -0.0000390900000000, -0.0000003000000000, 0.0000000500000000 ] - [ 0.0000331400000000, 0.0000001600000000, 0.0000000300000000 ] - [ -0.0000509000000000, 0.0000002100000000, 0.0000000400000000 ] - [ -0.0010132500000000, -0.0000027700000000, -0.0000061600000000 ] - [ -0.0000382400000000, -0.0000012800000000, 0.0000005000000000 ] - [ -0.0000672600000000, -0.0000009400000000, -0.0000000700000000 ] - [ -0.0000132900000000, 0.0000002100000000, -0.0000001500000000 ] - [ -0.0000603700000000, -0.0000005500000000, 0.0000012700000000 ] - [ -0.0000390900000000, 0.0000003000000000, 0.0000000500000000 ] - [ 0.0000331400000000, -0.0000001600000000, 0.0000000300000000 ] - [ -0.0000509000000000, -0.0000002100000000, 0.0000000400000000 ] - [ -0.0010132500000000, 0.0000027700000000, -0.0000061600000000 ] - [ -0.0000382400000000, 0.0000012800000000, 0.0000005000000000 ] - [ -0.0000672600000000, 0.0000009400000000, -0.0000000700000000 ] - [ -0.0000132900000000, -0.0000002100000000, -0.0000001500000000 ] - [ 0.0001107600000000, 0.0001323900000000, 0.0000474000000000 ] - [ -0.0001148300000000, -0.0000326200000000, 0.0000810000000000 ] - [ 0.0001107600000000, -0.0001323900000000, 0.0000474000000000 ] - [ -0.0001148300000000, 0.0000326200000000, 0.0000810000000000 ] - [ 0.0000426400000000, 0.0000311700000000, -0.0000566100000000 ] - [ -0.0000494900000000, -0.0000114000000000, 0.0000173000000000 ] - [ 0.0000426400000000, -0.0000311700000000, -0.0000566100000000 ] - [ -0.0000494900000000, 0.0000114000000000, 0.0000173000000000 ] - [ -0.1148916800000000, 0.0000000000000000, -0.0058649100000000 ] - [ 0.0002688300000000, 0.0000000000000000, -0.0036930400000000 ] - [ -0.0000893700000000, 0.0000000000000000, -0.0036914700000000 ] - [ 0.0000963900000000, 0.0000000000000000, -0.0036919400000000 ] - [ -0.0000320700000000, 0.0000000000000000, -0.0036914500000000 ] - [ 0.0000333200000000, 0.0000000000000000, -0.0036910400000000 ] - [ -0.0000022400000000, 0.0000000000000000, -0.0036914900000000 ] - [ -0.0000196100000000, 0.0000000000000000, -0.0036905900000000 ] - [ 0.0001834700000000, 0.0005117500000000, 0.0036303100000000 ] - [ 0.0001859500000000, -0.0005160400000000, 0.0037524700000000 ] - [ 0.0001834700000000, -0.0005117500000000, 0.0036303100000000 ] - [ 0.0001859500000000, 0.0005160400000000, 0.0037524700000000 ] - [ 0.0000012900000000, 0.0000308100000000, 0.0037152000000000 ] - [ 0.0000015200000000, -0.0000315900000000, 0.0036670300000000 ] - [ 0.0000012900000000, -0.0000308100000000, 0.0037152000000000 ] - [ 0.0000015200000000, 0.0000315900000000, 0.0036670300000000 ] - [ -0.0001432500000000, -0.0000018800000000, -0.0036922500000000 ] - [ 0.0000278200000000, -0.0000004800000000, -0.0036917400000000 ] - [ -0.0001432500000000, 0.0000018800000000, -0.0036922500000000 ] - [ 0.0000278200000000, 0.0000004800000000, -0.0036917400000000 ] - [ -0.0000070700000000, 0.0000003500000000, -0.0036919600000000 ] - [ 0.0000308500000000, 0.0000001600000000, -0.0036908100000000 ] - [ -0.0000070700000000, -0.0000003500000000, -0.0036919600000000 ] - [ 0.0000308500000000, -0.0000001600000000, -0.0036908100000000 ] - [ -0.0000066100000000, 0.0000000000000000, 0.0037178600000000 ] - [ -0.0000064100000000, 0.0000000000000000, 0.0036659200000000 ] - [ 0.0000195300000000, 0.0000000000000000, 0.0037140000000000 ] - [ 0.0000198900000000, 0.0000000000000000, 0.0036685700000000 ] - [ 0.0009721200000000, 0.0000000000000000, 0.0004312500000000 ] - [ 0.0011006200000000, 0.0000000000000000, 0.0071334100000000 ] - [ 0.0000023800000000, 0.0000000000000000, 0.0036588100000000 ] - [ 0.0000016200000000, 0.0000000000000000, 0.0037241200000000 ] - [ -0.0000363900000000, 0.0000551500000000, -0.0035703700000000 ] - [ -0.0000356900000000, -0.0000550800000000, -0.0038126200000000 ] - [ -0.0000363900000000, -0.0000551500000000, -0.0035703700000000 ] - [ -0.0000356900000000, 0.0000550800000000, -0.0038126200000000 ] - [ -0.0000349300000000, 0.0000209900000000, -0.0037362000000000 ] - [ -0.0000372500000000, -0.0000214700000000, -0.0036463000000000 ] - [ -0.0000349300000000, -0.0000209900000000, -0.0037362000000000 ] - [ -0.0000372500000000, 0.0000214700000000, -0.0036463000000000 ] - [ -0.0003218000000000, 0.0000000000000000, 0.0037047900000000 ] - [ 0.0000246500000000, 0.0000000000000000, 0.0036913900000000 ] - [ -0.0000104500000000, 0.0000000000000000, 0.0036923400000000 ] - [ 0.0000241500000000, 0.0000000000000000, 0.0036915600000000 ] - [ -0.0000611800000000, 0.0000000000000000, 0.0036930500000000 ] - [ 0.0000358300000000, 0.0000000000000000, 0.0036913000000000 ] - [ 0.0000354000000000, 0.0000000000000000, 0.0036916800000000 ] - [ 0.0000070100000000, 0.0000000000000000, 0.0036916600000000 ] - [ 0.0004437900000000, 0.0000000000000000, -0.0029061700000000 ] - [ 0.0004604100000000, 0.0000000000000000, -0.0044910300000000 ] - [ -0.0000297800000000, 0.0000000000000000, -0.0037076000000000 ] - [ -0.0000290100000000, 0.0000000000000000, -0.0036753700000000 ] - [ 0.0000091700000000, 0.0000000000000000, -0.0038264700000000 ] - [ 0.0000089600000000, 0.0000000000000000, -0.0035559900000000 ] - [ 0.0000001100000000, 0.0000000000000000, -0.0037015100000000 ] - [ -0.0000007000000000, 0.0000000000000000, -0.0036810800000000 ] - [ -0.0004734100000000, 0.0000048200000000, 0.0036927200000000 ] - [ 0.0004363600000000, -0.0000001500000000, 0.0036909300000000 ] - [ -0.0004734100000000, -0.0000048200000000, 0.0036927200000000 ] - [ 0.0004363600000000, 0.0000001500000000, 0.0036909300000000 ] - [ 0.0000147000000000, 0.0000002000000000, 0.0036905700000000 ] - [ 0.0000117700000000, 0.0000000200000000, 0.0036916200000000 ] - [ 0.0000147000000000, -0.0000002000000000, 0.0036905700000000 ] - [ 0.0000117700000000, -0.0000000200000000, 0.0036916200000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000586700000000, 0.0000642500000000, -0.0000750600000000 ] - [ -0.0000052600000000, 0.0000198700000000, 0.0000363500000000 ] - [ 0.0000592800000000, 0.0000670700000000, 0.0000740600000000 ] - [ 0.0000053300000000, 0.0000195300000000, -0.0000360200000000 ] - [ -0.0000150300000000, -0.0000036800000000, -0.0000009900000000 ] - [ 0.0000141400000000, 0.0000124400000000, 0.0000109200000000 ] - [ 0.0000150600000000, -0.0000037000000000, 0.0000009800000000 ] - [ -0.0000140400000000, 0.0000117900000000, -0.0000103600000000 ] - [ 0.0004962500000000, 0.0001224400000000, 0.0002915000000000 ] - [ -0.0004962500000000, 0.0001224400000000, 0.0002915000000000 ] - [ -0.0000102800000000, -0.0000234100000000, 0.0000163900000000 ] - [ 0.0000102800000000, -0.0000234100000000, 0.0000163900000000 ] - [ -0.0000091200000000, 0.0000049700000000, 0.0000013400000000 ] - [ 0.0000091200000000, 0.0000049700000000, 0.0000013400000000 ] - [ 0.0000069700000000, -0.0000127800000000, 0.0000010200000000 ] - [ -0.0000069700000000, -0.0000127800000000, 0.0000010200000000 ] - [ -0.0004908600000000, 0.0001157400000000, -0.0002884100000000 ] - [ 0.0004908600000000, 0.0001157400000000, -0.0002884100000000 ] - [ 0.0000103600000000, -0.0000231200000000, -0.0000164600000000 ] - [ -0.0000103600000000, -0.0000231200000000, -0.0000164600000000 ] - [ 0.0000089600000000, 0.0000048200000000, -0.0000010500000000 ] - [ -0.0000089600000000, 0.0000048200000000, -0.0000010500000000 ] - [ -0.0000072000000000, -0.0000127900000000, -0.0000008600000000 ] - [ 0.0000072000000000, -0.0000127900000000, -0.0000008600000000 ] - [ 0.0001560000000000, 0.0058031300000000, -0.0001383600000000 ] - [ -0.0000017800000000, -0.0000459700000000, 0.0000020300000000 ] - [ 0.0000000800000000, -0.0000222800000000, -0.0000001100000000 ] - [ -0.0000000500000000, 0.0000012500000000, -0.0000001100000000 ] - [ 0.0000000800000000, 0.0000075900000000, 0.0000001300000000 ] - [ -0.0000000100000000, 0.0000059100000000, 0.0000001200000000 ] - [ 0.0000000100000000, -0.0000015300000000, 0.0000000200000000 ] - [ 0.0000000600000000, -0.0000087500000000, -0.0000000900000000 ] - [ -0.0001560000000000, 0.0058031300000000, -0.0001383600000000 ] - [ 0.0000017800000000, -0.0000459700000000, 0.0000020300000000 ] - [ -0.0000000800000000, -0.0000222800000000, -0.0000001100000000 ] - [ 0.0000000500000000, 0.0000012500000000, -0.0000001100000000 ] - [ -0.0000000800000000, 0.0000075900000000, 0.0000001300000000 ] - [ 0.0000000100000000, 0.0000059100000000, 0.0000001200000000 ] - [ -0.0000000100000000, -0.0000015300000000, 0.0000000200000000 ] - [ -0.0000000600000000, -0.0000087500000000, -0.0000000900000000 ] - [ 0.0000000000000000, -0.0000316500000000, 0.0000273000000000 ] - [ 0.0000000000000000, 0.0000138000000000, -0.0000006000000000 ] - [ 0.0000000000000000, -0.0000196500000000, 0.0000031700000000 ] - [ 0.0000000000000000, -0.0000149600000000, 0.0000010900000000 ] - [ 0.0000000000000000, 0.0002196200000000, 0.0009283200000000 ] - [ 0.0000000000000000, 0.0000040400000000, 0.0000017600000000 ] - [ 0.0000000000000000, -0.0000534700000000, 0.0001698000000000 ] - [ 0.0000000000000000, -0.0000087800000000, -0.0000014800000000 ] - [ 0.0000000000000000, -0.0000252900000000, -0.0000272400000000 ] - [ 0.0000000000000000, 0.0000140600000000, 0.0000006900000000 ] - [ 0.0000000000000000, -0.0000201700000000, -0.0000036300000000 ] - [ 0.0000000000000000, -0.0000150800000000, -0.0000011700000000 ] - [ 0.0000000000000000, 0.0002317800000000, -0.0009384600000000 ] - [ 0.0000000000000000, 0.0000050500000000, -0.0000016700000000 ] - [ 0.0000000000000000, -0.0000545800000000, -0.0001713800000000 ] - [ 0.0000000000000000, -0.0000087800000000, 0.0000012400000000 ] - [ 0.0000586700000000, 0.0000642500000000, -0.0000750600000000 ] - [ 0.0000052600000000, 0.0000198700000000, 0.0000363500000000 ] - [ -0.0000592800000000, 0.0000670700000000, 0.0000740600000000 ] - [ -0.0000053300000000, 0.0000195300000000, -0.0000360200000000 ] - [ 0.0000150300000000, -0.0000036800000000, -0.0000009900000000 ] - [ -0.0000141400000000, 0.0000124400000000, 0.0000109200000000 ] - [ -0.0000150600000000, -0.0000037000000000, 0.0000009800000000 ] - [ 0.0000140400000000, 0.0000117900000000, -0.0000103600000000 ] - [ 0.0000000000000000, -0.0118278400000000, -0.0033962600000000 ] - [ 0.0000000000000000, 0.0000442900000000, -0.0036888100000000 ] - [ 0.0000000000000000, 0.0000741700000000, -0.0036889300000000 ] - [ 0.0000000000000000, 0.0000158600000000, -0.0036895900000000 ] - [ 0.0000000000000000, 0.0000076100000000, -0.0036901800000000 ] - [ 0.0000000000000000, -0.0000042200000000, -0.0036888600000000 ] - [ 0.0000000000000000, 0.0000000300000000, -0.0036892700000000 ] - [ 0.0000000000000000, 0.0000094000000000, -0.0036886900000000 ] - [ 0.0000846100000000, 0.0001853300000000, 0.0036501100000000 ] - [ -0.0000846100000000, 0.0001853300000000, 0.0036501100000000 ] - [ -0.0000842200000000, 0.0001846200000000, 0.0037280300000000 ] - [ 0.0000842200000000, 0.0001846200000000, 0.0037280300000000 ] - [ 0.0000054900000000, 0.0000015400000000, 0.0036790600000000 ] - [ -0.0000054900000000, 0.0000015400000000, 0.0036790600000000 ] - [ -0.0000055100000000, 0.0000016300000000, 0.0036987700000000 ] - [ 0.0000055100000000, 0.0000016300000000, 0.0036987700000000 ] - [ 0.0000000000000000, 0.0004491500000000, -0.0040210900000000 ] - [ 0.0000000000000000, -0.0000299400000000, -0.0036966000000000 ] - [ 0.0000000000000000, 0.0004549200000000, -0.0033502900000000 ] - [ 0.0000000000000000, -0.0000291100000000, -0.0036824900000000 ] - [ 0.0000000000000000, 0.0000077800000000, -0.0036929700000000 ] - [ 0.0000000000000000, -0.0000002200000000, -0.0036862400000000 ] - [ 0.0000000000000000, 0.0000104100000000, -0.0036859900000000 ] - [ 0.0000000000000000, -0.0000001700000000, -0.0036914400000000 ] - [ -0.0000004300000000, -0.0000040700000000, 0.0036895300000000 ] - [ 0.0000004300000000, -0.0000040700000000, 0.0036895300000000 ] - [ 0.0000000200000000, 0.0000065000000000, 0.0036893500000000 ] - [ -0.0000000200000000, 0.0000065000000000, 0.0036893500000000 ] - [ -0.0000115800000000, -0.0034889400000000, 0.0036958900000000 ] - [ 0.0000115800000000, -0.0034889400000000, 0.0036958900000000 ] - [ 0.0000000400000000, 0.0000219600000000, 0.0036894600000000 ] - [ -0.0000000400000000, 0.0000219600000000, 0.0036894600000000 ] - [ 0.0000208000000000, -0.0000009000000000, -0.0036584600000000 ] - [ -0.0000208000000000, -0.0000009000000000, -0.0036584600000000 ] - [ -0.0000218700000000, -0.0000014800000000, -0.0037205800000000 ] - [ 0.0000218700000000, -0.0000014800000000, -0.0037205800000000 ] - [ 0.0000560200000000, -0.0000011300000000, -0.0036914000000000 ] - [ -0.0000560200000000, -0.0000011300000000, -0.0036914000000000 ] - [ -0.0000549200000000, -0.0000012900000000, -0.0036874700000000 ] - [ 0.0000549200000000, -0.0000012900000000, -0.0036874700000000 ] - [ 0.0000000000000000, -0.0003216700000000, 0.0036927700000000 ] - [ 0.0000000000000000, -0.0000101500000000, 0.0036892200000000 ] - [ 0.0000000000000000, 0.0000247100000000, 0.0036898000000000 ] - [ 0.0000000000000000, 0.0000248700000000, 0.0036891700000000 ] - [ 0.0000000000000000, -0.0000611700000000, 0.0036873800000000 ] - [ 0.0000000000000000, 0.0000359400000000, 0.0036896300000000 ] - [ 0.0000000000000000, 0.0000360600000000, 0.0036893600000000 ] - [ 0.0000000000000000, 0.0000077300000000, 0.0036895700000000 ] - [ -0.0000009000000000, -0.0001432900000000, -0.0036879300000000 ] - [ 0.0000009000000000, -0.0001432900000000, -0.0036879300000000 ] - [ -0.0000001800000000, 0.0000277900000000, -0.0036892500000000 ] - [ 0.0000001800000000, 0.0000277900000000, -0.0036892500000000 ] - [ 0.0000000600000000, -0.0000070600000000, -0.0036895500000000 ] - [ -0.0000000600000000, -0.0000070600000000, -0.0036895500000000 ] - [ 0.0000002100000000, 0.0000307300000000, -0.0036889500000000 ] - [ -0.0000002100000000, 0.0000307300000000, -0.0036889500000000 ] - [ 0.0000000000000000, 0.0023775900000000, 0.0048735400000000 ] - [ 0.0000000000000000, 0.0000786100000000, 0.0036744300000000 ] - [ 0.0000000000000000, 0.0024507200000000, 0.0024684900000000 ] - [ 0.0000000000000000, 0.0000786300000000, 0.0037034900000000 ] - [ 0.0000000000000000, 0.0000203500000000, 0.0036688600000000 ] - [ 0.0000000000000000, -0.0000049500000000, 0.0036906400000000 ] - [ 0.0000000000000000, 0.0000201000000000, 0.0037083400000000 ] - [ 0.0000000000000000, -0.0000049800000000, 0.0036880400000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002053000000000, 0.0000087600000000, -0.0001923800000000 ] - [ 0.0000255500000000, -0.0000470800000000, -0.0000672800000000 ] - [ -0.0002053000000000, -0.0000087600000000, -0.0001923800000000 ] - [ 0.0000255500000000, 0.0000470800000000, -0.0000672800000000 ] - [ -0.0000316600000000, -0.0000025200000000, -0.0000080700000000 ] - [ -0.0000268800000000, -0.0000003200000000, -0.0000629500000000 ] - [ -0.0000316600000000, 0.0000025200000000, -0.0000080700000000 ] - [ -0.0000268800000000, 0.0000003200000000, -0.0000629500000000 ] - [ -0.0005834600000000, -0.0002634200000000, -0.0004924800000000 ] - [ 0.0005834600000000, -0.0002634200000000, -0.0004924800000000 ] - [ -0.0000020700000000, 0.0000451700000000, 0.0000038600000000 ] - [ 0.0000020700000000, 0.0000451700000000, 0.0000038600000000 ] - [ 0.0000167700000000, 0.0000121000000000, -0.0000571800000000 ] - [ -0.0000167700000000, 0.0000121000000000, -0.0000571800000000 ] - [ 0.0000216900000000, 0.0000018500000000, -0.0000764800000000 ] - [ -0.0000216900000000, 0.0000018500000000, -0.0000764800000000 ] - [ -0.0005834600000000, 0.0002634200000000, -0.0004924800000000 ] - [ 0.0005834600000000, 0.0002634200000000, -0.0004924800000000 ] - [ -0.0000020700000000, -0.0000451700000000, 0.0000038600000000 ] - [ 0.0000020700000000, -0.0000451700000000, 0.0000038600000000 ] - [ 0.0000167700000000, -0.0000121000000000, -0.0000571800000000 ] - [ -0.0000167700000000, -0.0000121000000000, -0.0000571800000000 ] - [ 0.0000216900000000, -0.0000018500000000, -0.0000764800000000 ] - [ -0.0000216900000000, -0.0000018500000000, -0.0000764800000000 ] - [ -0.0499353900000000, 0.0000000000000000, 0.0476904300000000 ] - [ 0.0006911900000000, 0.0000000000000000, 0.0000946200000000 ] - [ -0.0000595300000000, 0.0000000000000000, 0.0000573500000000 ] - [ -0.0000024600000000, 0.0000000000000000, 0.0000622000000000 ] - [ 0.0000607600000000, 0.0000000000000000, -0.0000437100000000 ] - [ 0.0000164400000000, 0.0000000000000000, -0.0000489300000000 ] - [ 0.0000152700000000, 0.0000000000000000, -0.0000522500000000 ] - [ 0.0000129100000000, 0.0000000000000000, -0.0000680300000000 ] - [ 0.0499353900000000, 0.0000000000000000, 0.0476904300000000 ] - [ -0.0006911900000000, 0.0000000000000000, 0.0000946200000000 ] - [ 0.0000595300000000, 0.0000000000000000, 0.0000573500000000 ] - [ 0.0000024600000000, 0.0000000000000000, 0.0000622000000000 ] - [ -0.0000607600000000, 0.0000000000000000, -0.0000437100000000 ] - [ -0.0000164400000000, 0.0000000000000000, -0.0000489300000000 ] - [ -0.0000152700000000, 0.0000000000000000, -0.0000522500000000 ] - [ -0.0000129100000000, 0.0000000000000000, -0.0000680300000000 ] - [ 0.0000000000000000, 0.0003296800000000, 0.0000147400000000 ] - [ 0.0000000000000000, 0.0000131200000000, -0.0000410700000000 ] - [ 0.0000000000000000, -0.0000307800000000, -0.0000599900000000 ] - [ 0.0000000000000000, -0.0000099200000000, -0.0000573700000000 ] - [ 0.0000000000000000, 0.0018148800000000, 0.0030719500000000 ] - [ 0.0000000000000000, 0.0001037100000000, 0.0000370700000000 ] - [ 0.0000000000000000, -0.0001441500000000, -0.0000510200000000 ] - [ 0.0000000000000000, -0.0000057500000000, 0.0000330700000000 ] - [ 0.0000000000000000, -0.0003296800000000, 0.0000147400000000 ] - [ 0.0000000000000000, -0.0000131200000000, -0.0000410700000000 ] - [ 0.0000000000000000, 0.0000307800000000, -0.0000599900000000 ] - [ 0.0000000000000000, 0.0000099200000000, -0.0000573700000000 ] - [ 0.0000000000000000, -0.0018148800000000, 0.0030719500000000 ] - [ 0.0000000000000000, -0.0001037100000000, 0.0000370700000000 ] - [ 0.0000000000000000, 0.0001441500000000, -0.0000510200000000 ] - [ 0.0000000000000000, 0.0000057500000000, 0.0000330700000000 ] - [ 0.0002053000000000, 0.0000087600000000, -0.0001923800000000 ] - [ -0.0000255500000000, -0.0000470800000000, -0.0000672800000000 ] - [ 0.0002053000000000, -0.0000087600000000, -0.0001923800000000 ] - [ -0.0000255500000000, 0.0000470800000000, -0.0000672800000000 ] - [ 0.0000316600000000, -0.0000025200000000, -0.0000080700000000 ] - [ 0.0000268800000000, -0.0000003200000000, -0.0000629500000000 ] - [ 0.0000316600000000, 0.0000025200000000, -0.0000080700000000 ] - [ 0.0000268800000000, 0.0000003200000000, -0.0000629500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1098283500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039941100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038559000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037376100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036179300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036660200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036209400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036427100000000 ] - [ -0.0000388000000000, -0.0000592300000000, 0.0037188300000000 ] - [ 0.0000388000000000, -0.0000592300000000, 0.0037188300000000 ] - [ -0.0000388000000000, 0.0000592300000000, 0.0037188300000000 ] - [ 0.0000388000000000, 0.0000592300000000, 0.0037188300000000 ] - [ -0.0000096300000000, 0.0000235600000000, 0.0037554100000000 ] - [ 0.0000096300000000, 0.0000235600000000, 0.0037554100000000 ] - [ -0.0000096300000000, -0.0000235600000000, 0.0037554100000000 ] - [ 0.0000096300000000, -0.0000235600000000, 0.0037554100000000 ] - [ 0.0000000000000000, -0.0007943100000000, -0.0035474400000000 ] - [ 0.0000000000000000, 0.0000157600000000, -0.0037194100000000 ] - [ 0.0000000000000000, 0.0007943100000000, -0.0035474400000000 ] - [ 0.0000000000000000, -0.0000157600000000, -0.0037194100000000 ] - [ 0.0000000000000000, 0.0001315400000000, -0.0035525000000000 ] - [ 0.0000000000000000, 0.0000096400000000, -0.0036336000000000 ] - [ 0.0000000000000000, -0.0001315400000000, -0.0035525000000000 ] - [ 0.0000000000000000, -0.0000096400000000, -0.0036336000000000 ] - [ 0.0000248900000000, 0.0000000000000000, 0.0037410200000000 ] - [ -0.0000248900000000, 0.0000000000000000, 0.0037410200000000 ] - [ 0.0000220600000000, 0.0000000000000000, 0.0037536300000000 ] - [ -0.0000220600000000, 0.0000000000000000, 0.0037536300000000 ] - [ -0.0034425600000000, 0.0000000000000000, 0.0036472500000000 ] - [ 0.0034425600000000, 0.0000000000000000, 0.0036472500000000 ] - [ -0.0000323000000000, 0.0000000000000000, 0.0036324100000000 ] - [ 0.0000323000000000, 0.0000000000000000, 0.0036324100000000 ] - [ 0.0000440800000000, 0.0000021000000000, -0.0036509400000000 ] - [ -0.0000440800000000, 0.0000021000000000, -0.0036509400000000 ] - [ 0.0000440800000000, -0.0000021000000000, -0.0036509400000000 ] - [ -0.0000440800000000, -0.0000021000000000, -0.0036509400000000 ] - [ -0.0001210300000000, -0.0000314200000000, -0.0036515700000000 ] - [ 0.0001210300000000, -0.0000314200000000, -0.0036515700000000 ] - [ -0.0001210300000000, 0.0000314200000000, -0.0036515700000000 ] - [ 0.0001210300000000, 0.0000314200000000, -0.0036515700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0087688100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037522200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037523300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037472600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0040750600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036779000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036773700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036612900000000 ] - [ 0.0003310400000000, 0.0000000000000000, -0.0035467100000000 ] - [ -0.0003310400000000, 0.0000000000000000, -0.0035467100000000 ] - [ 0.0000068300000000, 0.0000000000000000, -0.0037192700000000 ] - [ -0.0000068300000000, 0.0000000000000000, -0.0037192700000000 ] - [ 0.0000028800000000, 0.0000000000000000, -0.0035516500000000 ] - [ -0.0000028800000000, 0.0000000000000000, -0.0035516500000000 ] - [ -0.0000030100000000, 0.0000000000000000, -0.0036340300000000 ] - [ 0.0000030100000000, 0.0000000000000000, -0.0036340300000000 ] - [ 0.0000000000000000, 0.0011962000000000, 0.0042252500000000 ] - [ 0.0000000000000000, -0.0000148900000000, 0.0037422200000000 ] - [ 0.0000000000000000, -0.0011962000000000, 0.0042252500000000 ] - [ 0.0000000000000000, 0.0000148900000000, 0.0037422200000000 ] - [ 0.0000000000000000, -0.0000198800000000, 0.0038049600000000 ] - [ 0.0000000000000000, 0.0000014400000000, 0.0037069400000000 ] - [ 0.0000000000000000, 0.0000198800000000, 0.0038049600000000 ] - [ 0.0000000000000000, -0.0000014400000000, 0.0037069400000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002096200000000, -0.0000079500000000, 0.0001945000000000 ] - [ -0.0000263400000000, 0.0000473900000000, 0.0000665000000000 ] - [ 0.0002096200000000, 0.0000079500000000, 0.0001945000000000 ] - [ -0.0000263400000000, -0.0000473900000000, 0.0000665000000000 ] - [ 0.0000320400000000, 0.0000029200000000, 0.0000076800000000 ] - [ 0.0000272000000000, 0.0000005600000000, 0.0000624000000000 ] - [ 0.0000320400000000, -0.0000029200000000, 0.0000076800000000 ] - [ 0.0000272000000000, -0.0000005600000000, 0.0000624000000000 ] - [ 0.0005988000000000, 0.0002752900000000, 0.0004959700000000 ] - [ -0.0005988000000000, 0.0002752900000000, 0.0004959700000000 ] - [ 0.0000031000000000, -0.0000453200000000, -0.0000047900000000 ] - [ -0.0000031000000000, -0.0000453200000000, -0.0000047900000000 ] - [ -0.0000165400000000, -0.0000120900000000, 0.0000572400000000 ] - [ 0.0000165400000000, -0.0000120900000000, 0.0000572400000000 ] - [ -0.0000215800000000, -0.0000022200000000, 0.0000764400000000 ] - [ 0.0000215800000000, -0.0000022200000000, 0.0000764400000000 ] - [ 0.0005988000000000, -0.0002752900000000, 0.0004959700000000 ] - [ -0.0005988000000000, -0.0002752900000000, 0.0004959700000000 ] - [ 0.0000031000000000, 0.0000453200000000, -0.0000047900000000 ] - [ -0.0000031000000000, 0.0000453200000000, -0.0000047900000000 ] - [ -0.0000165400000000, 0.0000120900000000, 0.0000572400000000 ] - [ 0.0000165400000000, 0.0000120900000000, 0.0000572400000000 ] - [ -0.0000215800000000, 0.0000022200000000, 0.0000764400000000 ] - [ 0.0000215800000000, 0.0000022200000000, 0.0000764400000000 ] - [ 0.0483368500000000, 0.0000000000000000, -0.0465048100000000 ] - [ -0.0006846700000000, 0.0000000000000000, -0.0000832000000000 ] - [ 0.0000600900000000, 0.0000000000000000, -0.0000577500000000 ] - [ 0.0000022800000000, 0.0000000000000000, -0.0000627500000000 ] - [ -0.0000606800000000, 0.0000000000000000, 0.0000441000000000 ] - [ -0.0000167300000000, 0.0000000000000000, 0.0000492600000000 ] - [ -0.0000151900000000, 0.0000000000000000, 0.0000522200000000 ] - [ -0.0000131400000000, 0.0000000000000000, 0.0000678500000000 ] - [ -0.0483368500000000, 0.0000000000000000, -0.0465048100000000 ] - [ 0.0006846700000000, 0.0000000000000000, -0.0000832000000000 ] - [ -0.0000600900000000, 0.0000000000000000, -0.0000577500000000 ] - [ -0.0000022800000000, 0.0000000000000000, -0.0000627500000000 ] - [ 0.0000606800000000, 0.0000000000000000, 0.0000441000000000 ] - [ 0.0000167300000000, 0.0000000000000000, 0.0000492600000000 ] - [ 0.0000151900000000, 0.0000000000000000, 0.0000522200000000 ] - [ 0.0000131400000000, 0.0000000000000000, 0.0000678500000000 ] - [ 0.0000000000000000, -0.0003420100000000, -0.0000159000000000 ] - [ 0.0000000000000000, -0.0000135800000000, 0.0000407200000000 ] - [ 0.0000000000000000, 0.0000318900000000, 0.0000594700000000 ] - [ 0.0000000000000000, 0.0000098500000000, 0.0000563400000000 ] - [ 0.0000000000000000, -0.0017911900000000, -0.0030427100000000 ] - [ 0.0000000000000000, -0.0001034000000000, -0.0000374200000000 ] - [ 0.0000000000000000, 0.0001438800000000, 0.0000504900000000 ] - [ 0.0000000000000000, 0.0000060300000000, -0.0000333800000000 ] - [ 0.0000000000000000, 0.0003420100000000, -0.0000159000000000 ] - [ 0.0000000000000000, 0.0000135800000000, 0.0000407200000000 ] - [ 0.0000000000000000, -0.0000318900000000, 0.0000594700000000 ] - [ 0.0000000000000000, -0.0000098500000000, 0.0000563400000000 ] - [ 0.0000000000000000, 0.0017911900000000, -0.0030427100000000 ] - [ 0.0000000000000000, 0.0001034000000000, -0.0000374200000000 ] - [ 0.0000000000000000, -0.0001438800000000, 0.0000504900000000 ] - [ 0.0000000000000000, -0.0000060300000000, -0.0000333800000000 ] - [ -0.0002096200000000, -0.0000079500000000, 0.0001945000000000 ] - [ 0.0000263400000000, 0.0000473900000000, 0.0000665000000000 ] - [ -0.0002096200000000, 0.0000079500000000, 0.0001945000000000 ] - [ 0.0000263400000000, -0.0000473900000000, 0.0000665000000000 ] - [ -0.0000320400000000, 0.0000029200000000, 0.0000076800000000 ] - [ -0.0000272000000000, 0.0000005600000000, 0.0000624000000000 ] - [ -0.0000320400000000, -0.0000029200000000, 0.0000076800000000 ] - [ -0.0000272000000000, -0.0000005600000000, 0.0000624000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1001006500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0033895400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035156900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036360600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037573500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037080200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037536100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037307700000000 ] - [ 0.0000392300000000, 0.0000627200000000, 0.0036542800000000 ] - [ -0.0000392300000000, 0.0000627200000000, 0.0036542800000000 ] - [ 0.0000392300000000, -0.0000627200000000, 0.0036542800000000 ] - [ -0.0000392300000000, -0.0000627200000000, 0.0036542800000000 ] - [ 0.0000095500000000, -0.0000240300000000, 0.0036176600000000 ] - [ -0.0000095500000000, -0.0000240300000000, 0.0036176600000000 ] - [ 0.0000095500000000, 0.0000240300000000, 0.0036176600000000 ] - [ -0.0000095500000000, 0.0000240300000000, 0.0036176600000000 ] - [ 0.0000000000000000, 0.0007903200000000, -0.0038249800000000 ] - [ 0.0000000000000000, -0.0000164200000000, -0.0036544500000000 ] - [ 0.0000000000000000, -0.0007903200000000, -0.0038249800000000 ] - [ 0.0000000000000000, 0.0000164200000000, -0.0036544500000000 ] - [ 0.0000000000000000, -0.0001380100000000, -0.0038246700000000 ] - [ 0.0000000000000000, -0.0000102700000000, -0.0037395500000000 ] - [ 0.0000000000000000, 0.0001380100000000, -0.0038246700000000 ] - [ 0.0000000000000000, 0.0000102700000000, -0.0037395500000000 ] - [ -0.0000266600000000, 0.0000000000000000, 0.0036316800000000 ] - [ 0.0000266600000000, 0.0000000000000000, 0.0036316800000000 ] - [ -0.0000230000000000, 0.0000000000000000, 0.0036194800000000 ] - [ 0.0000230000000000, 0.0000000000000000, 0.0036194800000000 ] - [ 0.0032603000000000, 0.0000000000000000, 0.0037765700000000 ] - [ -0.0032603000000000, 0.0000000000000000, 0.0037765700000000 ] - [ 0.0000327400000000, 0.0000000000000000, 0.0037405100000000 ] - [ -0.0000327400000000, 0.0000000000000000, 0.0037405100000000 ] - [ -0.0000456100000000, -0.0000019400000000, -0.0037215000000000 ] - [ 0.0000456100000000, -0.0000019400000000, -0.0037215000000000 ] - [ -0.0000456100000000, 0.0000019400000000, -0.0037215000000000 ] - [ 0.0000456100000000, 0.0000019400000000, -0.0037215000000000 ] - [ 0.0001213500000000, 0.0000312100000000, -0.0037220900000000 ] - [ -0.0001213500000000, 0.0000312100000000, -0.0037220900000000 ] - [ 0.0001213500000000, -0.0000312100000000, -0.0037220900000000 ] - [ -0.0001213500000000, -0.0000312100000000, -0.0037220900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015689100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036203800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036204800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036259600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032952200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036967400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036962600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037119400000000 ] - [ -0.0003392100000000, 0.0000000000000000, -0.0038243200000000 ] - [ 0.0003392100000000, 0.0000000000000000, -0.0038243200000000 ] - [ -0.0000074900000000, 0.0000000000000000, -0.0036543300000000 ] - [ 0.0000074900000000, 0.0000000000000000, -0.0036543300000000 ] - [ -0.0000033500000000, 0.0000000000000000, -0.0038237500000000 ] - [ 0.0000033500000000, 0.0000000000000000, -0.0038237500000000 ] - [ 0.0000031100000000, 0.0000000000000000, -0.0037399800000000 ] - [ -0.0000031100000000, 0.0000000000000000, -0.0037399800000000 ] - [ 0.0000000000000000, -0.0012080600000000, 0.0031466700000000 ] - [ 0.0000000000000000, 0.0000152900000000, 0.0036310300000000 ] - [ 0.0000000000000000, 0.0012080600000000, 0.0031466700000000 ] - [ 0.0000000000000000, -0.0000152900000000, 0.0036310300000000 ] - [ 0.0000000000000000, 0.0000197800000000, 0.0035683100000000 ] - [ 0.0000000000000000, -0.0000015900000000, 0.0036668500000000 ] - [ 0.0000000000000000, -0.0000197800000000, 0.0035683100000000 ] - [ 0.0000000000000000, 0.0000015900000000, 0.0036668500000000 ]