# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/c9f2b7e9-767b-4f8f-82a1-558f04390f61/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 Rb2In4O7 / P-31m (162) / materials id 27563](https://mdr.nims.go.jp/datasets/943c01ec-5826-4cc6-aef5-d81cf017c5c6) ## 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: "P-31m" number: 162 Hall_symbol: "-P 3 2"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 5.658513720000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.829256860000000, 4.900416620000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 7.347246110000000 ] # c points: - symbol: Rb # 1 coordinates: [ 0.333333330000000, 0.666666670000000, 0.000000000000000 ] mass: 85.467800 - symbol: Rb # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.000000000000000 ] mass: 85.467800 - symbol: In # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.723056020000000 ] mass: 114.818000 - symbol: In # 4 coordinates: [ 0.666666670000000, 0.333333330000000, 0.500000000000000 ] mass: 114.818000 - symbol: In # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.276943980000000 ] mass: 114.818000 - symbol: In # 6 coordinates: [ 0.333333330000000, 0.666666670000000, 0.500000000000000 ] mass: 114.818000 - symbol: O # 7 coordinates: [ 0.358991230000000, 0.000000000000000, 0.666332490000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.641008770000000, 0.641008770000000, 0.666332490000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.358991230000000, 0.358991230000000, 0.333667510000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.000000000000000, 0.641008770000000, 0.333667510000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.000000000000000, 0.358991230000000, 0.666332490000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.641008770000000, 0.000000000000000, 0.333667510000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.176724852051786, 0.102032141095791, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.204064282191582, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.136105417598431 ] # c*unit_cell: lattice: - [ 5.658513720000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.829256860000000, 4.900416620000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 7.347246110000000 ] # c points: - symbol: Rb # 1 coordinates: [ 0.333333330000000, 0.666666670000000, 0.000000000000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.000000000000000 ] mass: 85.467800 reduced_to: 2 - symbol: In # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.723056020000000 ] mass: 114.818000 reduced_to: 3 - symbol: In # 4 coordinates: [ 0.666666670000000, 0.333333330000000, 0.500000000000000 ] mass: 114.818000 reduced_to: 4 - symbol: In # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.276943980000000 ] mass: 114.818000 reduced_to: 5 - symbol: In # 6 coordinates: [ 0.333333330000000, 0.666666670000000, 0.500000000000000 ] mass: 114.818000 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.358991230000000, 0.000000000000000, 0.666332490000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.641008770000000, 0.641008770000000, 0.666332490000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.358991230000000, 0.358991230000000, 0.333667510000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.000000000000000, 0.641008770000000, 0.333667510000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.000000000000000, 0.358991230000000, 0.666332490000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.641008770000000, 0.000000000000000, 0.333667510000000 ] mass: 15.999400 reduced_to: 13supercell: lattice: - [ 11.317027440000000, 0.000000000000000, 0.000000000000000 ] # a - [ -5.658513720000000, 9.800833239999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.694492220000001 ] # c points: - symbol: Rb # 1 coordinates: [ 0.166666665000000, 0.333333335000000, 0.000000000000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 2 coordinates: [ 0.666666665000000, 0.333333335000000, 0.000000000000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 3 coordinates: [ 0.166666665000000, 0.833333335000000, 0.000000000000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 4 coordinates: [ 0.666666665000000, 0.833333335000000, 0.000000000000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 5 coordinates: [ 0.166666665000000, 0.333333335000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 6 coordinates: [ 0.666666665000000, 0.333333335000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 7 coordinates: [ 0.166666665000000, 0.833333335000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 8 coordinates: [ 0.666666665000000, 0.833333335000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 9 coordinates: [ 0.333333335000000, 0.166666665000000, 0.000000000000000 ] mass: 85.467800 reduced_to: 9 - symbol: Rb # 10 coordinates: [ 0.833333335000000, 0.166666665000000, 0.000000000000000 ] mass: 85.467800 reduced_to: 9 - symbol: Rb # 11 coordinates: [ 0.333333335000000, 0.666666665000000, 0.000000000000000 ] mass: 85.467800 reduced_to: 9 - symbol: Rb # 12 coordinates: [ 0.833333335000000, 0.666666665000000, 0.000000000000000 ] mass: 85.467800 reduced_to: 9 - symbol: Rb # 13 coordinates: [ 0.333333335000000, 0.166666665000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 9 - symbol: Rb # 14 coordinates: [ 0.833333335000000, 0.166666665000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 9 - symbol: Rb # 15 coordinates: [ 0.333333335000000, 0.666666665000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 9 - symbol: Rb # 16 coordinates: [ 0.833333335000000, 0.666666665000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 9 - symbol: In # 17 coordinates: [ 0.000000000000000, 0.000000000000000, 0.361528010000000 ] mass: 114.818000 reduced_to: 17 - symbol: In # 18 coordinates: [ 0.500000000000000, 0.000000000000000, 0.361528010000000 ] mass: 114.818000 reduced_to: 17 - symbol: In # 19 coordinates: [ 0.000000000000000, 0.500000000000000, 0.361528010000000 ] mass: 114.818000 reduced_to: 17 - symbol: In # 20 coordinates: [ 0.500000000000000, 0.500000000000000, 0.361528010000000 ] mass: 114.818000 reduced_to: 17 - symbol: In # 21 coordinates: [ 0.000000000000000, 0.000000000000000, 0.861528010000000 ] mass: 114.818000 reduced_to: 17 - symbol: In # 22 coordinates: [ 0.500000000000000, 0.000000000000000, 0.861528010000000 ] mass: 114.818000 reduced_to: 17 - symbol: In # 23 coordinates: [ 0.000000000000000, 0.500000000000000, 0.861528010000000 ] mass: 114.818000 reduced_to: 17 - symbol: In # 24 coordinates: [ 0.500000000000000, 0.500000000000000, 0.861528010000000 ] mass: 114.818000 reduced_to: 17 - symbol: In # 25 coordinates: [ 0.333333335000000, 0.166666665000000, 0.250000000000000 ] mass: 114.818000 reduced_to: 25 - symbol: In # 26 coordinates: [ 0.833333335000000, 0.166666665000000, 0.250000000000000 ] mass: 114.818000 reduced_to: 25 - symbol: In # 27 coordinates: [ 0.333333335000000, 0.666666665000000, 0.250000000000000 ] mass: 114.818000 reduced_to: 25 - symbol: In # 28 coordinates: [ 0.833333335000000, 0.666666665000000, 0.250000000000000 ] mass: 114.818000 reduced_to: 25 - symbol: In # 29 coordinates: [ 0.333333335000000, 0.166666665000000, 0.750000000000000 ] mass: 114.818000 reduced_to: 25 - symbol: In # 30 coordinates: [ 0.833333335000000, 0.166666665000000, 0.750000000000000 ] mass: 114.818000 reduced_to: 25 - symbol: In # 31 coordinates: [ 0.333333335000000, 0.666666665000000, 0.750000000000000 ] mass: 114.818000 reduced_to: 25 - symbol: In # 32 coordinates: [ 0.833333335000000, 0.666666665000000, 0.750000000000000 ] mass: 114.818000 reduced_to: 25 - symbol: In # 33 coordinates: [ 0.000000000000000, 0.000000000000000, 0.138471990000000 ] mass: 114.818000 reduced_to: 33 - symbol: In # 34 coordinates: [ 0.500000000000000, 0.000000000000000, 0.138471990000000 ] mass: 114.818000 reduced_to: 33 - symbol: In # 35 coordinates: [ 0.000000000000000, 0.500000000000000, 0.138471990000000 ] mass: 114.818000 reduced_to: 33 - symbol: In # 36 coordinates: [ 0.500000000000000, 0.500000000000000, 0.138471990000000 ] mass: 114.818000 reduced_to: 33 - symbol: In # 37 coordinates: [ 0.000000000000000, 0.000000000000000, 0.638471990000000 ] mass: 114.818000 reduced_to: 33 - symbol: In # 38 coordinates: [ 0.500000000000000, 0.000000000000000, 0.638471990000000 ] mass: 114.818000 reduced_to: 33 - symbol: In # 39 coordinates: [ 0.000000000000000, 0.500000000000000, 0.638471990000000 ] mass: 114.818000 reduced_to: 33 - symbol: In # 40 coordinates: [ 0.500000000000000, 0.500000000000000, 0.638471990000000 ] mass: 114.818000 reduced_to: 33 - symbol: In # 41 coordinates: [ 0.166666665000000, 0.333333335000000, 0.250000000000000 ] mass: 114.818000 reduced_to: 41 - symbol: In # 42 coordinates: [ 0.666666665000000, 0.333333335000000, 0.250000000000000 ] mass: 114.818000 reduced_to: 41 - symbol: In # 43 coordinates: [ 0.166666665000000, 0.833333335000000, 0.250000000000000 ] mass: 114.818000 reduced_to: 41 - symbol: In # 44 coordinates: [ 0.666666665000000, 0.833333335000000, 0.250000000000000 ] mass: 114.818000 reduced_to: 41 - symbol: In # 45 coordinates: [ 0.166666665000000, 0.333333335000000, 0.750000000000000 ] mass: 114.818000 reduced_to: 41 - symbol: In # 46 coordinates: [ 0.666666665000000, 0.333333335000000, 0.750000000000000 ] mass: 114.818000 reduced_to: 41 - symbol: In # 47 coordinates: [ 0.166666665000000, 0.833333335000000, 0.750000000000000 ] mass: 114.818000 reduced_to: 41 - symbol: In # 48 coordinates: [ 0.666666665000000, 0.833333335000000, 0.750000000000000 ] mass: 114.818000 reduced_to: 41 - symbol: O # 49 coordinates: [ 0.179495615000000, 0.000000000000000, 0.333166245000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.679495615000000, 0.000000000000000, 0.333166245000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.179495615000000, 0.500000000000000, 0.333166245000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.679495615000000, 0.500000000000000, 0.333166245000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.179495615000000, 0.000000000000000, 0.833166245000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 54 coordinates: [ 0.679495615000000, 0.000000000000000, 0.833166245000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 55 coordinates: [ 0.179495615000000, 0.500000000000000, 0.833166245000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 56 coordinates: [ 0.679495615000000, 0.500000000000000, 0.833166245000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 57 coordinates: [ 0.320504385000000, 0.320504385000000, 0.333166245000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.820504385000000, 0.320504385000000, 0.333166245000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.320504385000000, 0.820504385000000, 0.333166245000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.820504385000000, 0.820504385000000, 0.333166245000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.320504385000000, 0.320504385000000, 0.833166245000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 62 coordinates: [ 0.820504385000000, 0.320504385000000, 0.833166245000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 63 coordinates: [ 0.320504385000000, 0.820504385000000, 0.833166245000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 64 coordinates: [ 0.820504385000000, 0.820504385000000, 0.833166245000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 65 coordinates: [ 0.179495615000000, 0.179495615000000, 0.166833755000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.679495615000000, 0.179495615000000, 0.166833755000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.179495615000000, 0.679495615000000, 0.166833755000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.679495615000000, 0.679495615000000, 0.166833755000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.179495615000000, 0.179495615000000, 0.666833755000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 70 coordinates: [ 0.679495615000000, 0.179495615000000, 0.666833755000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 71 coordinates: [ 0.179495615000000, 0.679495615000000, 0.666833755000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 72 coordinates: [ 0.679495615000000, 0.679495615000000, 0.666833755000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 73 coordinates: [ 0.000000000000000, 0.320504385000000, 0.166833755000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.500000000000000, 0.320504385000000, 0.166833755000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.000000000000000, 0.820504385000000, 0.166833755000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.500000000000000, 0.820504385000000, 0.166833755000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.000000000000000, 0.320504385000000, 0.666833755000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 78 coordinates: [ 0.500000000000000, 0.320504385000000, 0.666833755000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 79 coordinates: [ 0.000000000000000, 0.820504385000000, 0.666833755000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 80 coordinates: [ 0.500000000000000, 0.820504385000000, 0.666833755000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 81 coordinates: [ 0.000000000000000, 0.179495615000000, 0.333166245000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.500000000000000, 0.179495615000000, 0.333166245000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.000000000000000, 0.679495615000000, 0.333166245000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 84 coordinates: [ 0.500000000000000, 0.679495615000000, 0.333166245000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 85 coordinates: [ 0.000000000000000, 0.179495615000000, 0.833166245000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 86 coordinates: [ 0.500000000000000, 0.179495615000000, 0.833166245000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 87 coordinates: [ 0.000000000000000, 0.679495615000000, 0.833166245000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 88 coordinates: [ 0.500000000000000, 0.679495615000000, 0.833166245000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 89 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 92 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 93 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 94 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 95 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 96 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 97 coordinates: [ 0.320504385000000, 0.000000000000000, 0.166833755000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.820504385000000, 0.000000000000000, 0.166833755000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.320504385000000, 0.500000000000000, 0.166833755000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 100 coordinates: [ 0.820504385000000, 0.500000000000000, 0.166833755000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 101 coordinates: [ 0.320504385000000, 0.000000000000000, 0.666833755000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 102 coordinates: [ 0.820504385000000, 0.000000000000000, 0.666833755000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 103 coordinates: [ 0.320504385000000, 0.500000000000000, 0.666833755000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 104 coordinates: [ 0.820504385000000, 0.500000000000000, 0.666833755000000 ] mass: 15.999400 reduced_to: 97born_effective_charge:- # 1 (Rb) - [ 1.167543810000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.167543810000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.568419020000000 ]- # 2 (Rb) - [ 1.167543810000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.167543810000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.568419020000000 ]- # 3 (In) - [ 2.884751260000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.884751260000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.164170650000000 ]- # 4 (In) - [ 3.454157160000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.454157160000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.417730200000000 ]- # 5 (In) - [ 2.884751260000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.884751260000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.164170650000000 ]- # 6 (In) - [ 3.454157160000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.454157160000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.417730200000000 ]- # 7 (O) - [ -2.385662410000000, 0.000000000000000, 0.446880960000000 ] - [ 0.000000000000000, -2.114498240000000, -0.000000000000000 ] - [ 0.439048840000000, 0.000000000000000, -1.806692850000000 ]- # 8 (O) - [ -2.182289282500000, -0.117417529688035, -0.223440480000000 ] - [ -0.117417530128087, -2.317871367500000, -0.387010264552788 ] - [ -0.219524420000000, -0.380227448229589, -1.806692850000000 ]- # 9 (O) - [ -2.182289282500000, -0.117417529688035, -0.223440480000000 ] - [ -0.117417530128087, -2.317871367500000, -0.387010264552788 ] - [ -0.219524420000000, -0.380227448229589, -1.806692850000000 ]- # 10 (O) - [ -2.182289282500000, 0.117417529688035, -0.223440480000000 ] - [ 0.117417530128087, -2.317871367500000, 0.387010264552788 ] - [ -0.219524420000000, 0.380227448229589, -1.806692850000000 ]- # 11 (O) - [ -2.182289282500000, 0.117417529688035, -0.223440480000000 ] - [ 0.117417530128087, -2.317871367500000, 0.387010264552788 ] - [ -0.219524420000000, 0.380227448229589, -1.806692850000000 ]- # 12 (O) - [ -1.512422530000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.512422530000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -3.460482660000000 ]- # 13 (O) - [ -2.385662410000000, 0.000000000000000, 0.446880960000000 ] - [ 0.000000000000000, -2.114498240000000, -0.000000000000000 ] - [ 0.439048840000000, 0.000000000000000, -1.806692850000000 ]dielectric_constant: - [ 4.527093550000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 4.527093550000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.223556930000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0286468700000000, 0.0001388000000000, 0.0000005500000000 ] - [ 0.0012666200000000, 0.0000002900000000, -0.0000054700000000 ] - [ 0.0000080100000000, -0.0007263800000000, 0.0000026600000000 ] - [ 0.0000096500000000, 0.0007260900000000, 0.0000025800000000 ] - [ -0.0000986000000000, -0.0000001900000000, -0.0000001600000000 ] - [ 0.0000896300000000, -0.0000000700000000, -0.0000122900000000 ] - [ 0.0000012800000000, -0.0000510800000000, 0.0000062900000000 ] - [ 0.0000016300000000, 0.0000507100000000, 0.0000063900000000 ] - [ 0.0102570300000000, -0.0073631100000000, 0.0000177500000000 ] - [ 0.0100284200000000, 0.0071806500000000, 0.0000185500000000 ] - [ -0.0024519200000000, -0.0000238100000000, -0.0000363200000000 ] - [ 0.0005905000000000, 0.0000016600000000, -0.0000001900000000 ] - [ 0.0000022800000000, -0.0000344000000000, -0.0000011600000000 ] - [ 0.0000038300000000, 0.0000348800000000, -0.0000011900000000 ] - [ -0.0000574500000000, -0.0000001200000000, 0.0000024500000000 ] - [ 0.0000503400000000, 0.0000002400000000, 0.0000001400000000 ] - [ -0.0002632800000000, 0.0000736500000000, -0.0012315800000000 ] - [ 0.0001740800000000, -0.0000669900000000, -0.0013332000000000 ] - [ 0.0000068900000000, -0.0002328100000000, -0.0017237800000000 ] - [ 0.0001340500000000, 0.0001535600000000, -0.0010447300000000 ] - [ -0.0015775000000000, 0.0003577400000000, -0.0015448600000000 ] - [ 0.0005982200000000, -0.0001900300000000, -0.0013338700000000 ] - [ 0.0027674400000000, -0.0023978800000000, 0.0028118200000000 ] - [ 0.0030042400000000, 0.0027485500000000, -0.0052941400000000 ] - [ 0.0003337400000000, -0.0005474700000000, 0.0009566500000000 ] - [ 0.0006099500000000, 0.0010080600000000, -0.0011725600000000 ] - [ -0.0008699600000000, 0.0004618300000000, 0.0002185900000000 ] - [ 0.0005291400000000, -0.0002383100000000, 0.0000002800000000 ] - [ 0.0006079000000000, -0.0010067200000000, -0.0011768000000000 ] - [ 0.0003450900000000, 0.0005450400000000, 0.0009537800000000 ] - [ -0.0008729100000000, -0.0004639100000000, 0.0002204700000000 ] - [ 0.0005264900000000, 0.0002421100000000, -0.0000002800000000 ] - [ -0.0015781900000000, -0.0003363100000000, 0.0011024800000000 ] - [ 0.0005949500000000, 0.0001870900000000, 0.0013341300000000 ] - [ 0.0029752200000000, -0.0027250800000000, -0.0025905100000000 ] - [ 0.0027820600000000, 0.0024286100000000, 0.0055151900000000 ] - [ -0.0002687000000000, -0.0000718900000000, 0.0014365100000000 ] - [ 0.0001684200000000, 0.0000660000000000, 0.0013329400000000 ] - [ 0.0001323900000000, -0.0001539200000000, 0.0016210900000000 ] - [ 0.0000024400000000, 0.0002326400000000, 0.0009422800000000 ] - [ -0.0029759200000000, -0.0000844400000000, -0.0000143800000000 ] - [ 0.0011592500000000, 0.0000952500000000, 0.0000862200000000 ] - [ 0.0001441100000000, -0.0006251800000000, -0.0000919800000000 ] - [ 0.0000271900000000, 0.0006110500000000, 0.0000084700000000 ] - [ -0.0029807600000000, 0.0000789000000000, 0.0000142500000000 ] - [ 0.0011544300000000, -0.0000949900000000, 0.0000822400000000 ] - [ 0.0000280200000000, -0.0006099900000000, 0.0000079400000000 ] - [ 0.0001483700000000, 0.0006245900000000, -0.0000929400000000 ] - [ 0.0006756800000000, 0.0001826700000000, 0.0003204300000000 ] - [ 0.0005291200000000, -0.0001266200000000, 0.0005963900000000 ] - [ 0.0011517000000000, 0.0002667900000000, 0.0005899000000000 ] - [ 0.0003215500000000, -0.0000936600000000, 0.0004632100000000 ] - [ 0.0009748800000000, 0.0007919400000000, 0.0009563100000000 ] - [ 0.0002909000000000, -0.0005659700000000, 0.0001210000000000 ] - [ 0.0024218600000000, 0.0001689300000000, -0.0002753300000000 ] - [ -0.0005491800000000, -0.0001308900000000, 0.0010443100000000 ] - [ -0.0003106700000000, -0.0006041000000000, 0.0000913800000000 ] - [ -0.0006026600000000, -0.0004981200000000, 0.0008591300000000 ] - [ -0.0002699900000000, -0.0003698900000000, 0.0005790000000000 ] - [ -0.0003268600000000, -0.0007228700000000, 0.0004556400000000 ] - [ 0.0012623800000000, -0.0004946200000000, 0.0015829200000000 ] - [ -0.0013696500000000, -0.0006911600000000, -0.0006180000000000 ] - [ -0.0002691100000000, -0.0002775600000000, 0.0005156400000000 ] - [ -0.0003893500000000, -0.0008181800000000, 0.0005153500000000 ] - [ 0.0020909900000000, 0.0006431800000000, -0.0008243400000000 ] - [ -0.0005531600000000, 0.0003620600000000, -0.0001345600000000 ] - [ 0.0007681600000000, 0.0014321100000000, 0.0001679300000000 ] - [ -0.0001900700000000, -0.0002134900000000, -0.0010598700000000 ] - [ 0.0008617700000000, 0.0008893100000000, -0.0001791900000000 ] - [ 0.0000251800000000, 0.0003943900000000, -0.0006724700000000 ] - [ 0.0003115200000000, 0.0007168900000000, -0.0006762600000000 ] - [ 0.0002281600000000, 0.0004217200000000, -0.0004166000000000 ] - [ 0.0018390200000000, -0.0006013200000000, 0.0006400200000000 ] - [ -0.0007406300000000, -0.0004033300000000, -0.0016312000000000 ] - [ 0.0002456400000000, -0.0002815100000000, -0.0004849200000000 ] - [ 0.0003641900000000, -0.0008157800000000, -0.0004869900000000 ] - [ 0.0003202400000000, -0.0004899200000000, -0.0009126400000000 ] - [ 0.0000324500000000, -0.0005975300000000, -0.0001437400000000 ] - [ 0.0003063500000000, -0.0003732300000000, -0.0005464300000000 ] - [ 0.0003639500000000, -0.0007258300000000, -0.0004229500000000 ] - [ 0.0002277300000000, 0.0002060000000000, 0.0008236500000000 ] - [ -0.0006080000000000, 0.0007031300000000, 0.0003284100000000 ] - [ -0.0004053100000000, 0.0006728800000000, 0.0005851600000000 ] - [ -0.0003210600000000, 0.0003792500000000, 0.0003274300000000 ] - [ 0.0014464000000000, 0.0004378000000000, 0.0001514000000000 ] - [ -0.0011869400000000, 0.0007352400000000, 0.0008717600000000 ] - [ -0.0008226300000000, 0.0013053700000000, -0.0000547900000000 ] - [ 0.0001379000000000, -0.0003397800000000, 0.0011735200000000 ] - [ 0.0018118900000000, -0.0000110500000000, 0.0001471400000000 ] - [ -0.0008759900000000, 0.0000013300000000, -0.0000002200000000 ] - [ -0.0018172600000000, 0.0020880400000000, -0.0000726500000000 ] - [ -0.0017577900000000, -0.0020680100000000, -0.0000748300000000 ] - [ 0.0000642000000000, 0.0000001100000000, 0.0000342200000000 ] - [ -0.0000503400000000, 0.0000000400000000, 0.0000003200000000 ] - [ -0.0000040700000000, 0.0000396500000000, -0.0000168500000000 ] - [ -0.0000045100000000, -0.0000399300000000, -0.0000168900000000 ] - [ -0.0009697900000000, 0.0005670800000000, -0.0008876000000000 ] - [ -0.0002904700000000, -0.0007899200000000, -0.0000491700000000 ] - [ 0.0011678200000000, -0.0001625300000000, -0.0012742600000000 ] - [ -0.0018084500000000, 0.0001290800000000, 0.0000381200000000 ] - [ -0.0007321800000000, 0.0001275900000000, -0.0004075200000000 ] - [ -0.0005869000000000, -0.0001844400000000, -0.0006859800000000 ] - [ -0.0001088900000000, -0.0002671300000000, -0.0004144200000000 ] - [ -0.0009409700000000, 0.0000928600000000, -0.0005393200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0210444500000000 ] - [ -0.0000054700000000, 0.0000000600000000, -0.0007821400000000 ] - [ 0.0000026800000000, -0.0000047600000000, -0.0007821400000000 ] - [ 0.0000027800000000, 0.0000047000000000, -0.0007821400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009759100000000 ] - [ -0.0000124200000000, 0.0000000600000000, 0.0005991400000000 ] - [ 0.0000061500000000, -0.0000107800000000, 0.0005991400000000 ] - [ 0.0000062600000000, 0.0000107200000000, 0.0005991400000000 ] - [ -0.0000093100000000, 0.0000472800000000, -0.0034370900000000 ] - [ 0.0000456000000000, -0.0000155800000000, -0.0034370900000000 ] - [ -0.0000362900000000, -0.0000317100000000, -0.0034370900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007067800000000 ] - [ -0.0000009400000000, -0.0000020700000000, 0.0007334900000000 ] - [ -0.0000013200000000, 0.0000018500000000, 0.0007334900000000 ] - [ 0.0000022600000000, 0.0000002200000000, 0.0007334900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005620600000000 ] - [ -0.0000003000000000, -0.0006878700000000, 0.0001905800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003640500000000 ] - [ -0.0005955600000000, 0.0003442000000000, 0.0001905800000000 ] - [ 0.0005958600000000, 0.0003436800000000, 0.0001905800000000 ] - [ -0.0005730600000000, 0.0047159000000000, -0.0021913900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024079300000000 ] - [ 0.0043706200000000, -0.0018616600000000, -0.0021913900000000 ] - [ -0.0037975600000000, -0.0028542400000000, -0.0021913900000000 ] - [ 0.0019673100000000, -0.0005823100000000, 0.0013810400000000 ] - [ -0.0014879500000000, -0.0014125900000000, 0.0013810400000000 ] - [ -0.0004793600000000, 0.0019949000000000, 0.0013810400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003400600000000 ] - [ -0.0014792800000000, 0.0014104800000000, 0.0013778700000000 ] - [ 0.0019611500000000, 0.0005758600000000, 0.0013778700000000 ] - [ -0.0004818700000000, -0.0019863300000000, 0.0013778700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003430800000000 ] - [ -0.0005740900000000, -0.0047405300000000, 0.0004503400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002488700000000 ] - [ -0.0038183700000000, 0.0028674400000000, 0.0004503400000000 ] - [ 0.0043924700000000, 0.0018730900000000, 0.0004503400000000 ] - [ -0.0000022900000000, 0.0006844800000000, 0.0028536200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023004400000000 ] - [ 0.0005939300000000, -0.0003402600000000, 0.0028536200000000 ] - [ -0.0005916400000000, -0.0003442300000000, 0.0028536200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102712800000000 ] - [ 0.0000465100000000, -0.0000164400000000, 0.0003781600000000 ] - [ -0.0000090200000000, 0.0000484900000000, 0.0003781600000000 ] - [ -0.0000374900000000, -0.0000320600000000, 0.0003781600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101166000000000 ] - [ 0.0000450800000000, 0.0000165800000000, 0.0003802100000000 ] - [ -0.0000369000000000, 0.0000307500000000, 0.0003802100000000 ] - [ -0.0000081800000000, -0.0000473300000000, 0.0003802100000000 ] - [ 0.0005177900000000, 0.0005238100000000, -0.0003234200000000 ] - [ 0.0008884600000000, 0.0000460200000000, 0.0000027000000000 ] - [ 0.0012405000000000, -0.0005304900000000, -0.0009289600000000 ] - [ 0.0006140900000000, -0.0000945600000000, 0.0000339400000000 ] - [ 0.0010585700000000, -0.0009441300000000, 0.0006911800000000 ] - [ 0.0000874300000000, -0.0002622900000000, 0.0009226200000000 ] - [ -0.0002055900000000, 0.0011002100000000, 0.0006033600000000 ] - [ 0.0010966800000000, 0.0002398900000000, 0.0008129100000000 ] - [ -0.0010796700000000, -0.0008090600000000, -0.0009289600000000 ] - [ 0.0001947400000000, -0.0007103300000000, -0.0003234200000000 ] - [ -0.0004043800000000, -0.0007924400000000, 0.0000027000000000 ] - [ -0.0003889400000000, -0.0004845300000000, 0.0000339400000000 ] - [ 0.0010556100000000, -0.0003720600000000, 0.0006033600000000 ] - [ -0.0013469200000000, -0.0004446900000000, 0.0006911800000000 ] - [ -0.0002708600000000, 0.0000554300000000, 0.0009226200000000 ] - [ -0.0003405900000000, -0.0010697000000000, 0.0008129100000000 ] - [ -0.0001799700000000, 0.0017643500000000, -0.0002806100000000 ] - [ 0.0008165000000000, 0.0008888500000000, -0.0000753300000000 ] - [ 0.0009225400000000, -0.0003006100000000, -0.0003065000000000 ] - [ -0.0001267600000000, 0.0002623800000000, -0.0001850800000000 ] - [ 0.0004669800000000, -0.0002414800000000, -0.0019272700000000 ] - [ 0.0001486900000000, 0.0003484900000000, -0.0009999200000000 ] - [ -0.0000809300000000, 0.0009061400000000, -0.0013271800000000 ] - [ 0.0004056400000000, 0.0005138800000000, -0.0009687800000000 ] - [ 0.0016179600000000, -0.0007263100000000, -0.0002806100000000 ] - [ -0.0007216100000000, -0.0006486400000000, -0.0003065000000000 ] - [ 0.0002906100000000, -0.0000214100000000, -0.0001850800000000 ] - [ 0.0003615200000000, -0.0011515400000000, -0.0000753300000000 ] - [ -0.0004426200000000, -0.0002836800000000, -0.0019272700000000 ] - [ 0.0008252000000000, -0.0003829800000000, -0.0013271800000000 ] - [ 0.0002422100000000, -0.0006082300000000, -0.0009687800000000 ] - [ 0.0002274600000000, -0.0003030100000000, -0.0009999200000000 ] - [ -0.0001608400000000, 0.0013395500000000, -0.0009289600000000 ] - [ -0.0004840800000000, 0.0007464200000000, 0.0000027000000000 ] - [ -0.0002251500000000, 0.0005791000000000, 0.0000339400000000 ] - [ -0.0007125300000000, 0.0001865100000000, -0.0003234200000000 ] - [ -0.0008500200000000, -0.0007281500000000, 0.0006033600000000 ] - [ 0.0001834400000000, 0.0002068600000000, 0.0009226200000000 ] - [ -0.0007560900000000, 0.0008298100000000, 0.0008129100000000 ] - [ 0.0002883500000000, 0.0013888100000000, 0.0006911800000000 ] - [ 0.0001504200000000, -0.0000141300000000, 0.0036218600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014120700000000 ] - [ -0.0000874500000000, -0.0001232000000000, 0.0036218600000000 ] - [ -0.0000629700000000, 0.0001373400000000, 0.0036218600000000 ] - [ -0.0000349700000000, 0.0000006600000000, -0.0015851200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011898600000000 ] - [ 0.0000180600000000, 0.0000299500000000, -0.0015851200000000 ] - [ 0.0000169100000000, -0.0000306100000000, -0.0015851200000000 ] - [ -0.0011780200000000, 0.0002626900000000, -0.0000753300000000 ] - [ -0.0002009300000000, 0.0009492500000000, -0.0003065000000000 ] - [ -0.0014379900000000, -0.0010380300000000, -0.0002806100000000 ] - [ -0.0001638500000000, -0.0002409700000000, -0.0001850800000000 ] - [ -0.0003761500000000, -0.0000454800000000, -0.0009999200000000 ] - [ -0.0007442700000000, -0.0005231500000000, -0.0013271800000000 ] - [ -0.0000243600000000, 0.0005251600000000, -0.0019272700000000 ] - [ -0.0006478500000000, 0.0000943600000000, -0.0009687800000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002660000000000, 0.0000798900000000, -0.0000017800000000 ] - [ 0.0001713200000000, 0.0000705900000000, -0.0000005000000000 ] - [ 0.0000044800000000, -0.0002249300000000, -0.0005947300000000 ] - [ 0.0001337800000000, 0.0001613500000000, 0.0005936300000000 ] - [ -0.0015795800000000, -0.0001052000000000, -0.0005781300000000 ] - [ 0.0005966700000000, 0.0001944300000000, 0.0000006300000000 ] - [ 0.0027841500000000, -0.0028692700000000, 0.0044005500000000 ] - [ 0.0029836000000000, 0.0022805800000000, -0.0037903400000000 ] - [ 0.0000044800000000, 0.0002249300000000, -0.0005947300000000 ] - [ 0.0001337800000000, -0.0001613500000000, 0.0005936300000000 ] - [ 0.0001713200000000, -0.0000705900000000, -0.0000005000000000 ] - [ -0.0002660000000000, -0.0000798900000000, -0.0000017800000000 ] - [ 0.0027841500000000, 0.0028692700000000, 0.0044005500000000 ] - [ 0.0029836000000000, -0.0022805800000000, -0.0037903400000000 ] - [ 0.0005966700000000, -0.0001944300000000, 0.0000006300000000 ] - [ -0.0015795800000000, 0.0001052000000000, -0.0005781300000000 ] - [ -0.1753044100000000, 0.0000000000000000, -0.0001608500000000 ] - [ 0.0071526900000000, 0.0000000000000000, -0.0016399700000000 ] - [ 0.0017168200000000, -0.0031613500000000, -0.0011766900000000 ] - [ 0.0017168200000000, 0.0031613500000000, -0.0011766900000000 ] - [ -0.0002037500000000, 0.0000000000000000, -0.0013361800000000 ] - [ 0.0002178200000000, 0.0000000000000000, -0.0016214300000000 ] - [ -0.0000350400000000, -0.0001451400000000, -0.0011899800000000 ] - [ -0.0000350400000000, 0.0001451400000000, -0.0011899800000000 ] - [ 0.0095459600000000, 0.0139367600000000, -0.0101826100000000 ] - [ 0.0101809300000000, -0.0064741600000000, 0.0061938800000000 ] - [ 0.0014808100000000, -0.0011900200000000, 0.0000000000000000 ] - [ -0.0078579600000000, 0.0031022600000000, 0.0039267800000000 ] - [ -0.0002175100000000, 0.0001469700000000, 0.0003204300000000 ] - [ 0.0000014300000000, 0.0001067100000000, -0.0002024700000000 ] - [ 0.0003453500000000, -0.0000305000000000, 0.0000014000000000 ] - [ -0.0001394300000000, -0.0000489000000000, -0.0001186900000000 ] - [ -0.0100382000000000, 0.0000000000000000, 0.0013590400000000 ] - [ 0.0042182600000000, 0.0000000000000000, 0.0013295000000000 ] - [ 0.0005867700000000, -0.0021007800000000, 0.0013311700000000 ] - [ 0.0005867700000000, 0.0021007800000000, 0.0013311700000000 ] - [ 0.0006438400000000, 0.0000000000000000, 0.0013169100000000 ] - [ 0.0007826400000000, 0.0000000000000000, 0.0014227900000000 ] - [ -0.0001114200000000, -0.0005165600000000, 0.0012935400000000 ] - [ -0.0001114200000000, 0.0005165600000000, 0.0012935400000000 ] - [ -0.0078579600000000, -0.0031022600000000, 0.0039267800000000 ] - [ 0.0014808100000000, 0.0011900200000000, 0.0000000000000000 ] - [ 0.0095459600000000, -0.0139367600000000, -0.0101826100000000 ] - [ 0.0101809300000000, 0.0064741600000000, 0.0061938800000000 ] - [ -0.0001394300000000, 0.0000489000000000, -0.0001186900000000 ] - [ 0.0003453500000000, 0.0000305000000000, 0.0000014000000000 ] - [ -0.0002175100000000, -0.0001469700000000, 0.0003204300000000 ] - [ 0.0000014300000000, -0.0001067100000000, -0.0002024700000000 ] - [ 0.0923055200000000, 0.0000000000000000, -0.0122186500000000 ] - [ -0.0071751600000000, 0.0000000000000000, -0.0001450200000000 ] - [ 0.0003916400000000, 0.0030038300000000, 0.0006670600000000 ] - [ 0.0003916400000000, -0.0030038300000000, 0.0006670600000000 ] - [ 0.0008180100000000, 0.0000000000000000, 0.0005086000000000 ] - [ 0.0004560800000000, 0.0000000000000000, 0.0004811700000000 ] - [ 0.0006475600000000, 0.0000793800000000, 0.0004900100000000 ] - [ 0.0006475600000000, -0.0000793800000000, 0.0004900100000000 ] - [ 0.0014115000000000, -0.0060887300000000, 0.0008340200000000 ] - [ -0.0019653200000000, 0.0013624000000000, 0.0005844000000000 ] - [ -0.0055043600000000, 0.0012133000000000, 0.0002560300000000 ] - [ 0.0282827000000000, 0.0337389500000000, 0.0064184000000000 ] - [ -0.0002463100000000, -0.0006870100000000, 0.0005142600000000 ] - [ -0.0003847200000000, -0.0005041600000000, 0.0004572200000000 ] - [ -0.0004485800000000, -0.0004543900000000, 0.0005590800000000 ] - [ -0.0001967200000000, -0.0005075300000000, 0.0004994300000000 ] - [ 0.0055245100000000, -0.0027388900000000, 0.0022790500000000 ] - [ -0.0018189100000000, 0.0007398200000000, -0.0010214800000000 ] - [ -0.0001420600000000, 0.0019837500000000, -0.0000566400000000 ] - [ -0.0006742600000000, -0.0018259000000000, -0.0030904900000000 ] - [ 0.0007053700000000, 0.0008420400000000, -0.0004710200000000 ] - [ -0.0000690100000000, 0.0004864800000000, -0.0001622400000000 ] - [ 0.0001336800000000, 0.0009597200000000, -0.0009519700000000 ] - [ 0.0004093100000000, 0.0003132100000000, -0.0001778500000000 ] - [ -0.0006742600000000, 0.0018259000000000, -0.0030904900000000 ] - [ -0.0001420600000000, -0.0019837500000000, -0.0000566400000000 ] - [ 0.0055245100000000, 0.0027388900000000, 0.0022790500000000 ] - [ -0.0018189100000000, -0.0007398200000000, -0.0010214800000000 ] - [ 0.0004093100000000, -0.0003132100000000, -0.0001778500000000 ] - [ 0.0001336800000000, -0.0009597200000000, -0.0009519700000000 ] - [ 0.0007053700000000, -0.0008420400000000, -0.0004710200000000 ] - [ -0.0000690100000000, -0.0004864800000000, -0.0001622400000000 ] - [ 0.0282827000000000, -0.0337389500000000, 0.0064184000000000 ] - [ -0.0055043600000000, -0.0012133000000000, 0.0002560300000000 ] - [ 0.0014115000000000, 0.0060887300000000, 0.0008340200000000 ] - [ -0.0019653200000000, -0.0013624000000000, 0.0005844000000000 ] - [ -0.0001967200000000, 0.0005075300000000, 0.0004994300000000 ] - [ -0.0004485800000000, 0.0004543900000000, 0.0005590800000000 ] - [ -0.0002463100000000, 0.0006870100000000, 0.0005142600000000 ] - [ -0.0003847200000000, 0.0005041600000000, 0.0004572200000000 ] - [ 0.0008099000000000, 0.0000000000000000, -0.0000002000000000 ] - [ -0.0007712400000000, 0.0000000000000000, 0.0006793300000000 ] - [ -0.0000714600000000, 0.0004047900000000, -0.0003382400000000 ] - [ -0.0000714600000000, -0.0004047900000000, -0.0003382400000000 ] - [ 0.0055237800000000, 0.0000000000000000, -0.0002910400000000 ] - [ -0.0019262900000000, 0.0000000000000000, 0.0001091100000000 ] - [ -0.0001648100000000, 0.0010189200000000, -0.0000599100000000 ] - [ -0.0001648100000000, -0.0010189200000000, -0.0000599100000000 ] - [ -0.0057234900000000, 0.0000000000000000, 0.0046587800000000 ] - [ -0.0011232800000000, 0.0000000000000000, -0.0060393900000000 ] - [ -0.0005169700000000, -0.0008349100000000, -0.0004188900000000 ] - [ -0.0005169700000000, 0.0008349100000000, -0.0004188900000000 ] - [ -0.0009396600000000, 0.0000000000000000, -0.0011535600000000 ] - [ 0.0002427300000000, 0.0000000000000000, -0.0005397100000000 ] - [ -0.0006108000000000, 0.0000611300000000, -0.0003958900000000 ] - [ -0.0006108000000000, -0.0000611300000000, -0.0003958900000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002658000000000, -0.0000803600000000, 0.0000006800000000 ] - [ -0.0001714800000000, -0.0000703300000000, -0.0000005300000000 ] - [ -0.0000048300000000, 0.0002246100000000, 0.0005929400000000 ] - [ -0.0001330900000000, -0.0001625400000000, -0.0005963200000000 ] - [ 0.0015757400000000, 0.0000863700000000, 0.0005694800000000 ] - [ -0.0005954500000000, -0.0001902400000000, 0.0000008700000000 ] - [ -0.0027663700000000, 0.0028442200000000, -0.0043630500000000 ] - [ -0.0029960900000000, -0.0023065300000000, 0.0038261400000000 ] - [ -0.0000048300000000, -0.0002246100000000, 0.0005929400000000 ] - [ -0.0001330900000000, 0.0001625400000000, -0.0005963200000000 ] - [ -0.0001714800000000, 0.0000703300000000, -0.0000005300000000 ] - [ 0.0002658000000000, 0.0000803600000000, 0.0000006800000000 ] - [ -0.0027663700000000, -0.0028442200000000, -0.0043630500000000 ] - [ -0.0029960900000000, 0.0023065300000000, 0.0038261400000000 ] - [ -0.0005954500000000, 0.0001902400000000, 0.0000008700000000 ] - [ 0.0015757400000000, -0.0000863700000000, 0.0005694800000000 ] - [ 0.1699469400000000, 0.0000000000000000, -0.0001871200000000 ] - [ -0.0071911700000000, 0.0000000000000000, -0.0010186700000000 ] - [ -0.0016991400000000, 0.0031465000000000, -0.0014876500000000 ] - [ -0.0016991400000000, -0.0031465000000000, -0.0014876500000000 ] - [ 0.0002063700000000, 0.0000000000000000, -0.0013362200000000 ] - [ -0.0002107700000000, 0.0000000000000000, -0.0010463700000000 ] - [ 0.0000389300000000, 0.0001454300000000, -0.0014781300000000 ] - [ 0.0000389300000000, -0.0001454300000000, -0.0014781300000000 ] - [ -0.0094474000000000, -0.0138822300000000, 0.0101056400000000 ] - [ -0.0102096900000000, 0.0065675500000000, -0.0062566600000000 ] - [ -0.0014806700000000, 0.0011800500000000, -0.0000000300000000 ] - [ 0.0078358600000000, -0.0030753800000000, -0.0039115800000000 ] - [ 0.0002077600000000, -0.0001460400000000, -0.0003190400000000 ] - [ 0.0000059100000000, -0.0001129500000000, 0.0002012600000000 ] - [ -0.0003438000000000, 0.0000300600000000, 0.0000006500000000 ] - [ 0.0001403700000000, 0.0000574700000000, 0.0001161800000000 ] - [ 0.0100335300000000, 0.0000000000000000, 0.0013594100000000 ] - [ -0.0042280800000000, 0.0000000000000000, 0.0013284400000000 ] - [ -0.0005897000000000, 0.0020963300000000, 0.0013327400000000 ] - [ -0.0005897000000000, -0.0020963300000000, 0.0013327400000000 ] - [ -0.0006560100000000, 0.0000000000000000, 0.0013169100000000 ] - [ -0.0007831000000000, 0.0000000000000000, 0.0012563700000000 ] - [ 0.0001065200000000, 0.0005136900000000, 0.0013772600000000 ] - [ 0.0001065200000000, -0.0005136900000000, 0.0013772600000000 ] - [ 0.0078358600000000, 0.0030753800000000, -0.0039115800000000 ] - [ -0.0014806700000000, -0.0011800500000000, -0.0000000300000000 ] - [ -0.0094474000000000, 0.0138822300000000, 0.0101056400000000 ] - [ -0.0102096900000000, -0.0065675500000000, -0.0062566600000000 ] - [ 0.0001403700000000, -0.0000574700000000, 0.0001161800000000 ] - [ -0.0003438000000000, -0.0000300600000000, 0.0000006500000000 ] - [ 0.0002077600000000, 0.0001460400000000, -0.0003190400000000 ] - [ 0.0000059100000000, 0.0001129500000000, 0.0002012600000000 ] - [ -0.0856214500000000, 0.0000000000000000, 0.0118982500000000 ] - [ 0.0085152000000000, 0.0000000000000000, 0.0011734500000000 ] - [ 0.0008694100000000, -0.0029921300000000, 0.0003357100000000 ] - [ 0.0008694100000000, 0.0029921300000000, 0.0003357100000000 ] - [ 0.0004428800000000, 0.0000000000000000, 0.0004983900000000 ] - [ 0.0008035000000000, 0.0000000000000000, 0.0005255400000000 ] - [ 0.0006123700000000, -0.0000795700000000, 0.0005156200000000 ] - [ 0.0006123700000000, 0.0000795700000000, 0.0005156200000000 ] - [ -0.0020391800000000, 0.0049611700000000, 0.0001748700000000 ] - [ 0.0013259000000000, -0.0024608100000000, 0.0004188700000000 ] - [ 0.0048834700000000, -0.0023101200000000, 0.0007529300000000 ] - [ -0.0290422000000000, -0.0358401200000000, -0.0056278200000000 ] - [ -0.0003854500000000, -0.0004062700000000, 0.0004918500000000 ] - [ -0.0002472900000000, -0.0005922200000000, 0.0005464900000000 ] - [ -0.0001840000000000, -0.0006400800000000, 0.0004437700000000 ] - [ -0.0004364900000000, -0.0005858200000000, 0.0005048800000000 ] - [ -0.0048720100000000, 0.0038265500000000, -0.0032714800000000 ] - [ 0.0024579000000000, 0.0003510100000000, 0.0000272600000000 ] - [ 0.0007743700000000, -0.0008862200000000, -0.0009423600000000 ] - [ 0.0013005600000000, 0.0029150900000000, 0.0020752100000000 ] - [ -0.0000609500000000, 0.0002663700000000, -0.0005164400000000 ] - [ 0.0007019800000000, 0.0006066300000000, -0.0008441700000000 ] - [ 0.0004991500000000, 0.0001382100000000, -0.0000561100000000 ] - [ 0.0002199800000000, 0.0007810500000000, -0.0008247700000000 ] - [ 0.0013005600000000, -0.0029150900000000, 0.0020752100000000 ] - [ 0.0007743700000000, 0.0008862200000000, -0.0009423600000000 ] - [ -0.0048720100000000, -0.0038265500000000, -0.0032714800000000 ] - [ 0.0024579000000000, -0.0003510100000000, 0.0000272600000000 ] - [ 0.0002199800000000, -0.0007810500000000, -0.0008247700000000 ] - [ 0.0004991500000000, -0.0001382100000000, -0.0000561100000000 ] - [ -0.0000609500000000, -0.0002663700000000, -0.0005164400000000 ] - [ 0.0007019800000000, -0.0006066300000000, -0.0008441700000000 ] - [ -0.0290422000000000, 0.0358401200000000, -0.0056278200000000 ] - [ 0.0048834700000000, 0.0023101200000000, 0.0007529300000000 ] - [ -0.0020391800000000, -0.0049611700000000, 0.0001748700000000 ] - [ 0.0013259000000000, 0.0024608100000000, 0.0004188700000000 ] - [ -0.0004364900000000, 0.0005858200000000, 0.0005048800000000 ] - [ -0.0001840000000000, 0.0006400800000000, 0.0004437700000000 ] - [ -0.0003854500000000, 0.0004062700000000, 0.0004918500000000 ] - [ -0.0002472900000000, 0.0005922200000000, 0.0005464900000000 ] - [ -0.0008122000000000, 0.0000000000000000, -0.0000000200000000 ] - [ 0.0007732900000000, 0.0000000000000000, -0.0006774100000000 ] - [ 0.0000709300000000, -0.0004047300000000, 0.0003403400000000 ] - [ 0.0000709300000000, 0.0004047300000000, 0.0003403400000000 ] - [ -0.0055380400000000, 0.0000000000000000, -0.0002906000000000 ] - [ 0.0019277200000000, 0.0000000000000000, -0.0001205900000000 ] - [ 0.0001636900000000, -0.0010164700000000, 0.0000557900000000 ] - [ 0.0001636900000000, 0.0010164700000000, 0.0000557900000000 ] - [ 0.0044620200000000, 0.0000000000000000, -0.0056733000000000 ] - [ -0.0001471000000000, 0.0000000000000000, 0.0050612300000000 ] - [ -0.0007426000000000, 0.0008345600000000, -0.0005826100000000 ] - [ -0.0007426000000000, -0.0008345600000000, -0.0005826100000000 ] - [ -0.0003184400000000, 0.0000000000000000, 0.0001408400000000 ] - [ -0.0015227400000000, 0.0000000000000000, -0.0004483700000000 ] - [ -0.0006498600000000, -0.0000583900000000, -0.0006088000000000 ] - [ -0.0006498600000000, 0.0000583900000000, -0.0006088000000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001016200000000, -0.0003896300000000, 0.0015205000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009691900000000 ] - [ -0.0003882400000000, 0.0001068100000000, 0.0015205000000000 ] - [ 0.0002866200000000, 0.0002828200000000, 0.0015205000000000 ] - [ -0.0002211300000000, 0.0046920100000000, -0.0008745100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010832100000000 ] - [ 0.0041739600000000, -0.0021545000000000, -0.0008745100000000 ] - [ -0.0039528300000000, -0.0025375100000000, -0.0008745100000000 ] - [ -0.0003882400000000, -0.0001068100000000, 0.0015205000000000 ] - [ 0.0002866200000000, -0.0002828200000000, 0.0015205000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009691900000000 ] - [ 0.0001016200000000, 0.0003896300000000, 0.0015205000000000 ] - [ 0.0041739600000000, 0.0021545000000000, -0.0008745100000000 ] - [ -0.0039528300000000, 0.0025375100000000, -0.0008745100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010832100000000 ] - [ -0.0002211300000000, -0.0046920100000000, -0.0008745100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1773867200000000 ] - [ -0.0003122800000000, 0.0000000000000000, -0.0043739700000000 ] - [ 0.0001561400000000, -0.0002704400000000, -0.0043739700000000 ] - [ 0.0001561400000000, 0.0002704400000000, -0.0043739700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032691200000000 ] - [ -0.0002873700000000, 0.0000000000000000, 0.0007873200000000 ] - [ 0.0001436900000000, -0.0002488700000000, 0.0007873200000000 ] - [ 0.0001436900000000, 0.0002488700000000, 0.0007873200000000 ] - [ -0.0068889100000000, -0.0038071300000000, 0.0003391500000000 ] - [ 0.0067415200000000, -0.0040624000000000, 0.0003391500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006394100000000 ] - [ 0.0001473800000000, 0.0078695300000000, 0.0003391500000000 ] - [ 0.0020332800000000, 0.0001414400000000, 0.0023234000000000 ] - [ -0.0011391300000000, 0.0016901500000000, 0.0023234000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011628500000000 ] - [ -0.0008941500000000, -0.0018316000000000, 0.0023234000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0212219200000000 ] - [ -0.0000025700000000, 0.0000000000000000, 0.0027369100000000 ] - [ 0.0000012900000000, -0.0000022300000000, 0.0027369100000000 ] - [ 0.0000012900000000, 0.0000022300000000, 0.0027369100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0204269800000000 ] - [ 0.0000837500000000, 0.0000000000000000, 0.0006977600000000 ] - [ -0.0000418700000000, 0.0000725300000000, 0.0006977600000000 ] - [ -0.0000418700000000, -0.0000725300000000, 0.0006977600000000 ] - [ 0.0001473800000000, -0.0078695300000000, 0.0003391500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006394100000000 ] - [ -0.0068889100000000, 0.0038071300000000, 0.0003391500000000 ] - [ 0.0067415200000000, 0.0040624000000000, 0.0003391500000000 ] - [ -0.0008941500000000, 0.0018316000000000, 0.0023234000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011628500000000 ] - [ 0.0020332800000000, -0.0001414400000000, 0.0023234000000000 ] - [ -0.0011391300000000, -0.0016901500000000, 0.0023234000000000 ] - [ -0.0134336200000000, 0.0000000000000000, 0.0107604100000000 ] - [ -0.0012172700000000, 0.0000000000000000, 0.0034037800000000 ] - [ 0.0005188300000000, 0.0007963900000000, 0.0018844800000000 ] - [ 0.0005188300000000, -0.0007963900000000, 0.0018844800000000 ] - [ 0.0007868500000000, 0.0000000000000000, -0.0016692200000000 ] - [ 0.0016669700000000, 0.0000000000000000, -0.0013999100000000 ] - [ 0.0008071800000000, -0.0000556500000000, -0.0006159000000000 ] - [ 0.0008071800000000, 0.0000556500000000, -0.0006159000000000 ] - [ 0.0006086300000000, 0.0010541800000000, 0.0034037800000000 ] - [ -0.0009491100000000, -0.0000511300000000, 0.0018844800000000 ] - [ 0.0004302800000000, -0.0008475200000000, 0.0018844800000000 ] - [ 0.0067168100000000, 0.0116338600000000, 0.0107604100000000 ] - [ -0.0008334800000000, -0.0014436400000000, -0.0013999100000000 ] - [ -0.0003554000000000, -0.0007268600000000, -0.0006159000000000 ] - [ -0.0004517800000000, -0.0006712100000000, -0.0006159000000000 ] - [ -0.0003934300000000, -0.0006814300000000, -0.0016692200000000 ] - [ 0.0019318900000000, 0.0033461400000000, -0.0034123800000000 ] - [ -0.0003938100000000, 0.0007883600000000, -0.0007768500000000 ] - [ 0.0008796400000000, 0.0000531300000000, -0.0007768500000000 ] - [ -0.0004230400000000, -0.0007327200000000, -0.0011372300000000 ] - [ -0.0020648400000000, -0.0035764200000000, -0.0056613500000000 ] - [ 0.0009772000000000, 0.0003206800000000, -0.0007509900000000 ] - [ -0.0002108800000000, 0.0010066200000000, -0.0007509900000000 ] - [ 0.0009383300000000, 0.0016252300000000, -0.0010953800000000 ] - [ -0.0004230400000000, 0.0007327200000000, -0.0011372300000000 ] - [ 0.0008796400000000, -0.0000531300000000, -0.0007768500000000 ] - [ 0.0019318900000000, -0.0033461400000000, -0.0034123800000000 ] - [ -0.0003938100000000, -0.0007883600000000, -0.0007768500000000 ] - [ 0.0009383300000000, -0.0016252300000000, -0.0010953800000000 ] - [ -0.0002108800000000, -0.0010066200000000, -0.0007509900000000 ] - [ -0.0020648400000000, 0.0035764200000000, -0.0056613500000000 ] - [ 0.0009772000000000, -0.0003206800000000, -0.0007509900000000 ] - [ 0.0067168100000000, -0.0116338600000000, 0.0107604100000000 ] - [ 0.0004302800000000, 0.0008475200000000, 0.0018844800000000 ] - [ 0.0006086300000000, -0.0010541800000000, 0.0034037800000000 ] - [ -0.0009491100000000, 0.0000511300000000, 0.0018844800000000 ] - [ -0.0003934300000000, 0.0006814300000000, -0.0016692200000000 ] - [ -0.0004517800000000, 0.0006712100000000, -0.0006159000000000 ] - [ -0.0008334800000000, 0.0014436400000000, -0.0013999100000000 ] - [ -0.0003554000000000, 0.0007268600000000, -0.0006159000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0058707300000000 ] - [ 0.0000749300000000, 0.0000000000000000, -0.0022476900000000 ] - [ -0.0000374700000000, 0.0000648900000000, -0.0022476900000000 ] - [ -0.0000374700000000, -0.0000648900000000, -0.0022476900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1196113600000000 ] - [ -0.0000325600000000, 0.0000000000000000, 0.0024821000000000 ] - [ 0.0000162800000000, -0.0000282000000000, 0.0024821000000000 ] - [ 0.0000162800000000, 0.0000282000000000, 0.0024821000000000 ] - [ 0.0008460800000000, 0.0000000000000000, -0.0011372300000000 ] - [ -0.0038637900000000, 0.0000000000000000, -0.0034123800000000 ] - [ -0.0004858400000000, 0.0007352300000000, -0.0007768500000000 ] - [ -0.0004858400000000, -0.0007352300000000, -0.0007768500000000 ] - [ -0.0018766500000000, 0.0000000000000000, -0.0010953800000000 ] - [ 0.0041296900000000, 0.0000000000000000, -0.0056613500000000 ] - [ -0.0007663200000000, -0.0006859400000000, -0.0007509900000000 ] - [ -0.0007663200000000, 0.0006859400000000, -0.0007509900000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001033000000000, 0.0003939900000000, -0.0015231400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009676600000000 ] - [ 0.0003928500000000, -0.0001075400000000, -0.0015231400000000 ] - [ -0.0002895500000000, -0.0002864500000000, -0.0015231400000000 ] - [ 0.0002211900000000, -0.0046679400000000, 0.0008656100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010782800000000 ] - [ -0.0041531500000000, 0.0021424100000000, 0.0008656100000000 ] - [ 0.0039319600000000, 0.0025255300000000, 0.0008656100000000 ] - [ 0.0003928500000000, 0.0001075400000000, -0.0015231400000000 ] - [ -0.0002895500000000, 0.0002864500000000, -0.0015231400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009676600000000 ] - [ -0.0001033000000000, -0.0003939900000000, -0.0015231400000000 ] - [ -0.0041531500000000, -0.0021424100000000, 0.0008656100000000 ] - [ 0.0039319600000000, -0.0025255300000000, 0.0008656100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010782800000000 ] - [ 0.0002211900000000, 0.0046679400000000, 0.0008656100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1672278000000000 ] - [ 0.0003086100000000, 0.0000000000000000, 0.0016956200000000 ] - [ -0.0001543000000000, 0.0002672600000000, 0.0016956200000000 ] - [ -0.0001543000000000, -0.0002672600000000, 0.0016956200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0059493700000000 ] - [ 0.0002878500000000, 0.0000000000000000, -0.0034521200000000 ] - [ -0.0001439300000000, 0.0002492900000000, -0.0034521200000000 ] - [ -0.0001439300000000, -0.0002492900000000, -0.0034521200000000 ] - [ 0.0069179300000000, 0.0037923200000000, -0.0002834800000000 ] - [ -0.0067432100000000, 0.0040949400000000, -0.0002834800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006522800000000 ] - [ -0.0001747200000000, -0.0078872600000000, -0.0002834800000000 ] - [ -0.0020351400000000, -0.0001414200000000, -0.0023225100000000 ] - [ 0.0011400400000000, -0.0016917800000000, -0.0023225100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011614300000000 ] - [ 0.0008951000000000, 0.0018331900000000, -0.0023225100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0188294100000000 ] - [ -0.0000041800000000, 0.0000000000000000, -0.0000646600000000 ] - [ 0.0000020900000000, -0.0000036200000000, -0.0000646600000000 ] - [ 0.0000020900000000, 0.0000036200000000, -0.0000646600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0176951200000000 ] - [ -0.0000831700000000, 0.0000000000000000, 0.0019672700000000 ] - [ 0.0000415900000000, -0.0000720300000000, 0.0019672700000000 ] - [ 0.0000415900000000, 0.0000720300000000, 0.0019672700000000 ] - [ -0.0001747200000000, 0.0078872600000000, -0.0002834800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006522800000000 ] - [ 0.0069179300000000, -0.0037923200000000, -0.0002834800000000 ] - [ -0.0067432100000000, -0.0040949400000000, -0.0002834800000000 ] - [ 0.0008951000000000, -0.0018331900000000, -0.0023225100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011614300000000 ] - [ -0.0020351400000000, 0.0001414200000000, -0.0023225100000000 ] - [ 0.0011400400000000, 0.0016917800000000, -0.0023225100000000 ] - [ 0.0145284700000000, 0.0000000000000000, -0.0095981900000000 ] - [ 0.0024641300000000, 0.0000000000000000, -0.0024004500000000 ] - [ 0.0007483000000000, -0.0007835100000000, -0.0008751000000000 ] - [ 0.0007483000000000, 0.0007835100000000, -0.0008751000000000 ] - [ 0.0004739300000000, 0.0000000000000000, 0.0026791100000000 ] - [ -0.0003995200000000, 0.0000000000000000, 0.0024094000000000 ] - [ 0.0004588300000000, 0.0000537900000000, 0.0016232500000000 ] - [ 0.0004588300000000, -0.0000537900000000, 0.0016232500000000 ] - [ -0.0012320700000000, -0.0021340000000000, -0.0024004500000000 ] - [ 0.0003043900000000, -0.0010398000000000, -0.0008751000000000 ] - [ -0.0010526900000000, -0.0002562900000000, -0.0008751000000000 ] - [ -0.0072642300000000, -0.0125820200000000, -0.0095981900000000 ] - [ 0.0001997600000000, 0.0003459900000000, 0.0024094000000000 ] - [ -0.0002760000000000, -0.0003704600000000, 0.0016232500000000 ] - [ -0.0001828300000000, -0.0004242500000000, 0.0016232500000000 ] - [ -0.0002369600000000, -0.0004104300000000, 0.0026791100000000 ] - [ -0.0013122400000000, -0.0022728600000000, 0.0023977200000000 ] - [ 0.0010317900000000, 0.0003043400000000, -0.0002360600000000 ] - [ -0.0002523300000000, 0.0010457200000000, -0.0002360600000000 ] - [ 0.0010541600000000, 0.0018258500000000, 0.0001064500000000 ] - [ 0.0027054000000000, 0.0046858900000000, 0.0046591800000000 ] - [ -0.0003425200000000, 0.0007763200000000, -0.0002571200000000 ] - [ 0.0008435700000000, 0.0000915300000000, -0.0002571200000000 ] - [ -0.0003034700000000, -0.0005256200000000, 0.0000874700000000 ] - [ 0.0010541600000000, -0.0018258500000000, 0.0001064500000000 ] - [ -0.0002523300000000, -0.0010457200000000, -0.0002360600000000 ] - [ -0.0013122400000000, 0.0022728600000000, 0.0023977200000000 ] - [ 0.0010317900000000, -0.0003043400000000, -0.0002360600000000 ] - [ -0.0003034700000000, 0.0005256200000000, 0.0000874700000000 ] - [ 0.0008435700000000, -0.0000915300000000, -0.0002571200000000 ] - [ 0.0027054000000000, -0.0046858900000000, 0.0046591800000000 ] - [ -0.0003425200000000, -0.0007763200000000, -0.0002571200000000 ] - [ -0.0072642300000000, 0.0125820200000000, -0.0095981900000000 ] - [ -0.0010526900000000, 0.0002562900000000, -0.0008751000000000 ] - [ -0.0012320700000000, 0.0021340000000000, -0.0024004500000000 ] - [ 0.0003043900000000, 0.0010398000000000, -0.0008751000000000 ] - [ -0.0002369600000000, 0.0004104300000000, 0.0026791100000000 ] - [ -0.0001828300000000, 0.0004242500000000, 0.0016232500000000 ] - [ 0.0001997600000000, -0.0003459900000000, 0.0024094000000000 ] - [ -0.0002760000000000, 0.0003704600000000, 0.0016232500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0059125300000000 ] - [ -0.0000739500000000, 0.0000000000000000, 0.0022445200000000 ] - [ 0.0000369700000000, -0.0000640400000000, 0.0022445200000000 ] - [ 0.0000369700000000, 0.0000640400000000, 0.0022445200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1125926300000000 ] - [ 0.0000325400000000, 0.0000000000000000, -0.0024731300000000 ] - [ -0.0000162700000000, 0.0000281800000000, -0.0024731300000000 ] - [ -0.0000162700000000, -0.0000281800000000, -0.0024731300000000 ] - [ -0.0021083200000000, 0.0000000000000000, 0.0001064500000000 ] - [ 0.0026244700000000, 0.0000000000000000, 0.0023977200000000 ] - [ -0.0007794600000000, -0.0007413800000000, -0.0002360600000000 ] - [ -0.0007794600000000, 0.0007413800000000, -0.0002360600000000 ] - [ 0.0006069300000000, 0.0000000000000000, 0.0000874700000000 ] - [ -0.0054108000000000, 0.0000000000000000, 0.0046591800000000 ] - [ -0.0005010500000000, 0.0006847900000000, -0.0002571200000000 ] - [ -0.0005010500000000, -0.0006847900000000, -0.0002571200000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003401100000000, -0.0011619000000000, 0.0019612600000000 ] - [ 0.0006083100000000, 0.0003931300000000, -0.0014848600000000 ] - [ -0.0008699800000000, -0.0001520200000000, -0.0004796400000000 ] - [ 0.0005283500000000, 0.0002390200000000, -0.0000007900000000 ] - [ 0.0006112900000000, -0.0003900800000000, -0.0014819100000000 ] - [ 0.0003410900000000, 0.0011640000000000, 0.0019669500000000 ] - [ -0.0008721800000000, 0.0001531500000000, -0.0004814900000000 ] - [ 0.0005287900000000, -0.0002412000000000, 0.0000008700000000 ] - [ -0.0029781000000000, -0.0000814100000000, 0.0000141800000000 ] - [ 0.0011559500000000, -0.0000414200000000, 0.0000431200000000 ] - [ 0.0000262800000000, -0.0005556900000000, -0.0000372800000000 ] - [ 0.0001449800000000, 0.0006778000000000, -0.0000092100000000 ] - [ -0.0029805100000000, 0.0000819400000000, -0.0000141300000000 ] - [ 0.0011546100000000, 0.0000418800000000, 0.0000484600000000 ] - [ 0.0001456800000000, -0.0006791100000000, -0.0000081900000000 ] - [ 0.0000270300000000, 0.0005568200000000, -0.0000365100000000 ] - [ 0.0094849000000000, 0.0068825900000000, -0.0082034500000000 ] - [ 0.0102364300000000, -0.0135319400000000, 0.0054462200000000 ] - [ 0.0014824200000000, 0.0011944400000000, -0.0013327000000000 ] - [ -0.0078562400000000, -0.0039085300000000, -0.0011808100000000 ] - [ -0.0002100600000000, 0.0000147800000000, 0.0006980800000000 ] - [ -0.0000004700000000, -0.0000216200000000, -0.0024730400000000 ] - [ 0.0003463400000000, 0.0000349800000000, -0.0013343500000000 ] - [ -0.0001368200000000, -0.0001852700000000, -0.0022272700000000 ] - [ -0.1648329200000000, -0.0004601500000000, -0.0000196100000000 ] - [ 0.0080083300000000, -0.0000000800000000, 0.0005009200000000 ] - [ 0.0016759200000000, -0.0036560900000000, -0.0002512700000000 ] - [ 0.0016736800000000, 0.0036567700000000, -0.0002504200000000 ] - [ -0.0005791300000000, 0.0000001700000000, -0.0000000200000000 ] - [ 0.0008733100000000, 0.0000004500000000, 0.0000704700000000 ] - [ -0.0001805100000000, -0.0006071800000000, -0.0000351100000000 ] - [ -0.0001805300000000, 0.0006082300000000, -0.0000352900000000 ] - [ 0.0101540700000000, 0.0134716100000000, 0.0080397100000000 ] - [ 0.0095093700000000, -0.0069744900000000, -0.0056039200000000 ] - [ 0.0014782400000000, -0.0011822100000000, 0.0013325500000000 ] - [ -0.0078380300000000, 0.0038740800000000, 0.0015031600000000 ] - [ -0.0000045200000000, 0.0000215200000000, 0.0001947300000000 ] - [ -0.0002158200000000, -0.0000156400000000, 0.0033696000000000 ] - [ 0.0003422400000000, -0.0000340200000000, 0.0013342300000000 ] - [ -0.0001409000000000, 0.0001857800000000, 0.0004370200000000 ] - [ 0.0223728500000000, -0.0193328600000000, -0.0026327600000000 ] - [ 0.0226273400000000, 0.0195926000000000, -0.0026455000000000 ] - [ -0.0112098100000000, 0.0000478000000000, 0.0052778100000000 ] - [ 0.0020269800000000, -0.0000077400000000, -0.0000002100000000 ] - [ -0.0001279100000000, -0.0002269700000000, 0.0000523500000000 ] - [ -0.0001317300000000, 0.0002268100000000, 0.0000528200000000 ] - [ -0.0005230300000000, -0.0000004300000000, -0.0001051000000000 ] - [ 0.0008295100000000, -0.0000009600000000, -0.0000000400000000 ] - [ 0.0149416200000000, 0.0064232900000000, -0.0074120100000000 ] - [ -0.0042994100000000, 0.0017376400000000, 0.0013251500000000 ] - [ -0.0012619400000000, 0.0021012700000000, 0.0009291700000000 ] - [ 0.0024533500000000, -0.0038624000000000, -0.0011382800000000 ] - [ 0.0014002200000000, -0.0000052100000000, 0.0001294400000000 ] - [ 0.0000202300000000, -0.0000143600000000, 0.0007639300000000 ] - [ 0.0004989700000000, 0.0003450500000000, 0.0002911100000000 ] - [ 0.0005666300000000, -0.0002434800000000, 0.0008124300000000 ] - [ 0.0181442600000000, -0.0095799000000000, -0.0090079200000000 ] - [ -0.0049664700000000, -0.0023677600000000, -0.0001936400000000 ] - [ 0.0008327500000000, 0.0037941500000000, 0.0000621400000000 ] - [ -0.0019601700000000, -0.0024139800000000, 0.0002148500000000 ] - [ 0.0001444300000000, -0.0002818600000000, 0.0005888600000000 ] - [ -0.0006958500000000, -0.0006266400000000, 0.0005865300000000 ] - [ -0.0000782300000000, -0.0002439000000000, 0.0008002600000000 ] - [ -0.0007069900000000, -0.0011441600000000, -0.0000077700000000 ] - [ 0.0295087400000000, -0.0016907700000000, 0.0164753400000000 ] - [ -0.0053118100000000, 0.0008909100000000, 0.0015908700000000 ] - [ 0.0004416800000000, 0.0027864500000000, -0.0002396900000000 ] - [ 0.0001494300000000, -0.0022316900000000, -0.0010392200000000 ] - [ 0.0006967400000000, 0.0006828900000000, -0.0002164700000000 ] - [ -0.0000708800000000, 0.0002545800000000, -0.0011123000000000 ] - [ 0.0004275200000000, 0.0006293500000000, -0.0003740500000000 ] - [ 0.0003205600000000, 0.0006630900000000, -0.0002522900000000 ] - [ -0.0043309200000000, 0.0012610700000000, -0.0011875700000000 ] - [ 0.0189070800000000, 0.0089298400000000, -0.0103626700000000 ] - [ 0.0014570900000000, -0.0048790200000000, -0.0009503600000000 ] - [ -0.0013188000000000, 0.0013197100000000, -0.0007880500000000 ] - [ -0.0000641700000000, -0.0004697100000000, -0.0004169500000000 ] - [ 0.0007794400000000, -0.0008151000000000, -0.0004133400000000 ] - [ 0.0005546100000000, -0.0008523800000000, -0.0002020300000000 ] - [ -0.0000738800000000, 0.0000495800000000, -0.0010110900000000 ] - [ -0.0059161700000000, 0.0002108500000000, 0.0025807400000000 ] - [ 0.0307064400000000, 0.0029047800000000, 0.0189193800000000 ] - [ -0.0001938900000000, -0.0017007800000000, 0.0007631500000000 ] - [ -0.0004887500000000, 0.0033411700000000, -0.0000387700000000 ] - [ -0.0007057300000000, 0.0008401800000000, -0.0001076800000000 ] - [ 0.0000645700000000, 0.0004122400000000, 0.0007868500000000 ] - [ -0.0002060900000000, 0.0004658500000000, 0.0006281900000000 ] - [ -0.0003140800000000, 0.0004352800000000, 0.0007487100000000 ] - [ -0.0007118300000000, -0.0018119500000000, -0.0046033800000000 ] - [ -0.0005840200000000, 0.0003666200000000, 0.0024249200000000 ] - [ -0.0004958000000000, 0.0002979900000000, 0.0000017100000000 ] - [ 0.0012326800000000, -0.0008293900000000, 0.0021795600000000 ] - [ -0.0005925000000000, -0.0003627000000000, 0.0024238200000000 ] - [ -0.0007122900000000, 0.0018116600000000, -0.0046105500000000 ] - [ -0.0004959700000000, -0.0003009000000000, -0.0000006100000000 ] - [ 0.0012369600000000, 0.0008323100000000, 0.0021867000000000 ] - [ 0.0136755900000000, -0.0066623000000000, -0.0085930600000000 ] - [ -0.0055687300000000, -0.0017279600000000, 0.0003257200000000 ] - [ 0.0011789600000000, 0.0038474700000000, -0.0021453400000000 ] - [ -0.0025178700000000, -0.0021070000000000, -0.0000721800000000 ] - [ 0.0001394800000000, 0.0000038900000000, -0.0008749300000000 ] - [ -0.0012429700000000, 0.0000148200000000, -0.0002408900000000 ] - [ -0.0006975000000000, 0.0002446500000000, -0.0001916700000000 ] - [ -0.0007615300000000, -0.0003446300000000, -0.0007143800000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0009502700000000, -0.0008031100000000, 0.0013788600000000 ] - [ -0.0011706500000000, -0.0004214000000000, 0.0013788600000000 ] - [ 0.0002203800000000, 0.0012245200000000, 0.0013788600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003426000000000 ] - [ -0.0011786600000000, 0.0004277900000000, 0.0013782200000000 ] - [ 0.0009598100000000, 0.0008068600000000, 0.0013782200000000 ] - [ 0.0002188600000000, -0.0012346400000000, 0.0013782200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003396700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101206900000000 ] - [ 0.0000847000000000, -0.0000578700000000, 0.0003807500000000 ] - [ 0.0000077700000000, 0.0001022900000000, 0.0003807500000000 ] - [ -0.0000924700000000, -0.0000444200000000, 0.0003807500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102669000000000 ] - [ 0.0000838300000000, 0.0000582400000000, 0.0003773200000000 ] - [ -0.0000923500000000, 0.0000434800000000, 0.0003773200000000 ] - [ 0.0000085200000000, -0.0001017200000000, 0.0003773200000000 ] - [ -0.0101523000000000, -0.0013441700000000, -0.0010330900000000 ] - [ 0.0062402300000000, -0.0081200600000000, -0.0010330900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019832600000000 ] - [ 0.0039120600000000, 0.0094642300000000, -0.0010330900000000 ] - [ 0.0003163300000000, 0.0000472400000000, 0.0009910800000000 ] - [ -0.0001990700000000, 0.0002503300000000, 0.0009910800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001682100000000 ] - [ -0.0001172600000000, -0.0002975700000000, 0.0009910800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1312352700000000 ] - [ 0.0005016700000000, -0.0000000900000000, -0.0043146400000000 ] - [ -0.0002507600000000, 0.0004345000000000, -0.0043146400000000 ] - [ -0.0002509100000000, -0.0004344200000000, -0.0043146400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025619900000000 ] - [ 0.0000707300000000, -0.0000002800000000, 0.0013668800000000 ] - [ -0.0000351200000000, 0.0000613900000000, 0.0013668800000000 ] - [ -0.0000356100000000, -0.0000611100000000, 0.0013668800000000 ] - [ 0.0062089400000000, 0.0081181200000000, 0.0016558600000000 ] - [ -0.0101349700000000, 0.0013180400000000, 0.0016558600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006916800000000 ] - [ 0.0039260300000000, -0.0094361600000000, 0.0016558600000000 ] - [ -0.0002047700000000, -0.0002541300000000, 0.0036544000000000 ] - [ 0.0003224700000000, -0.0000502700000000, 0.0036544000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024927900000000 ] - [ -0.0001177000000000, 0.0003044000000000, 0.0036544000000000 ] - [ -0.0026110000000000, -0.0045874000000000, -0.0139588000000000 ] - [ -0.0026673100000000, 0.0045548900000000, -0.0139588000000000 ] - [ 0.0052783000000000, 0.0000325100000000, -0.0139588000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0046346700000000 ] - [ 0.0000494700000000, 0.0000926900000000, 0.0016788800000000 ] - [ 0.0000555300000000, -0.0000891800000000, 0.0016788800000000 ] - [ -0.0001050000000000, -0.0000035000000000, 0.0016788800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014297300000000 ] - [ -0.0064057200000000, -0.0139677200000000, 0.0231668500000000 ] - [ -0.0018421900000000, 0.0008406500000000, 0.0023908400000000 ] - [ 0.0020869400000000, -0.0011792400000000, 0.0017333400000000 ] - [ -0.0008182700000000, -0.0012320500000000, 0.0038589500000000 ] - [ 0.0007759100000000, -0.0003128100000000, -0.0012475100000000 ] - [ 0.0010903000000000, 0.0000063300000000, -0.0005843800000000 ] - [ 0.0006933000000000, 0.0001116700000000, -0.0004017000000000 ] - [ 0.0009616700000000, 0.0000569900000000, -0.0006181500000000 ] - [ -0.0088935400000000, 0.0125313700000000, 0.0231668500000000 ] - [ -0.0020647200000000, -0.0012177200000000, 0.0017333400000000 ] - [ -0.0006578600000000, 0.0013246700000000, 0.0038589500000000 ] - [ 0.0016491200000000, 0.0011750600000000, 0.0023908400000000 ] - [ -0.0006588500000000, -0.0005155600000000, -0.0012475100000000 ] - [ -0.0002499400000000, -0.0006562500000000, -0.0004017000000000 ] - [ -0.0004314800000000, -0.0008613200000000, -0.0006181500000000 ] - [ -0.0005396700000000, -0.0009473900000000, -0.0005843800000000 ] - [ 0.0150951500000000, -0.0002959300000000, 0.0218008300000000 ] - [ 0.0021054400000000, 0.0011894200000000, 0.0028494400000000 ] - [ 0.0006096700000000, -0.0013061700000000, 0.0007289500000000 ] - [ 0.0008265400000000, 0.0031147000000000, 0.0013862100000000 ] - [ 0.0005217000000000, 0.0002660400000000, -0.0022556900000000 ] - [ 0.0000993800000000, 0.0002891300000000, -0.0016194700000000 ] - [ 0.0001888000000000, 0.0005506100000000, -0.0014029100000000 ] - [ 0.0000802500000000, 0.0001524500000000, -0.0015851900000000 ] - [ -0.0014360100000000, 0.0001250900000000, 0.0007289500000000 ] - [ -0.0078038600000000, -0.0129248200000000, 0.0218008300000000 ] - [ -0.0000226600000000, -0.0024180700000000, 0.0028494400000000 ] - [ 0.0022841300000000, -0.0022731600000000, 0.0013862100000000 ] - [ 0.0003824500000000, -0.0004388100000000, -0.0014029100000000 ] - [ -0.0000304500000000, -0.0005848300000000, -0.0022556900000000 ] - [ 0.0002007100000000, -0.0002306300000000, -0.0016194700000000 ] - [ 0.0000919000000000, -0.0001457200000000, -0.0015851900000000 ] - [ 0.0014761200000000, -0.0000926100000000, 0.0038589500000000 ] - [ 0.0152992600000000, 0.0014363400000000, 0.0231668500000000 ] - [ -0.0000222200000000, 0.0023969600000000, 0.0017333400000000 ] - [ 0.0001930700000000, -0.0020157100000000, 0.0023908400000000 ] - [ -0.0005301900000000, 0.0008043400000000, -0.0006181500000000 ] - [ -0.0001170600000000, 0.0008283600000000, -0.0012475100000000 ] - [ -0.0004433600000000, 0.0005445800000000, -0.0004017000000000 ] - [ -0.0005506300000000, 0.0009410700000000, -0.0005843800000000 ] - [ -0.0010209300000000, -0.0011177700000000, -0.0023695300000000 ] - [ 0.0014784800000000, -0.0003252700000000, -0.0023695300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006600500000000 ] - [ -0.0004575500000000, 0.0014430400000000, -0.0023695300000000 ] - [ 0.0014841200000000, 0.0003327400000000, -0.0023570900000000 ] - [ -0.0010302300000000, 0.0011189200000000, -0.0023570900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006531400000000 ] - [ -0.0004539000000000, -0.0014516600000000, -0.0023570900000000 ] - [ -0.0072912900000000, 0.0132207500000000, 0.0218008300000000 ] - [ -0.0031106800000000, -0.0008415400000000, 0.0013862100000000 ] - [ -0.0020827900000000, 0.0012286600000000, 0.0028494400000000 ] - [ 0.0008263400000000, 0.0011810700000000, 0.0007289500000000 ] - [ -0.0004912500000000, 0.0003187900000000, -0.0022556900000000 ] - [ -0.0001721500000000, -0.0000067200000000, -0.0015851900000000 ] - [ -0.0003000900000000, -0.0000585000000000, -0.0016194700000000 ] - [ -0.0005712500000000, -0.0001118000000000, -0.0014029100000000 ]- atom: 49 displacement: [ -0.0050000000070270, 0.0086602540337873, 0.0000000000000000 ] forces: - [ 0.0001368700000000, -0.0002496100000000, 0.0005105100000000 ] - [ -0.0000584800000000, 0.0000208100000000, -0.0000883400000000 ] - [ -0.0000278200000000, -0.0000109200000000, -0.0007624200000000 ] - [ 0.0000753800000000, 0.0000323800000000, -0.0000731500000000 ] - [ 0.0005158300000000, -0.0009211600000000, -0.0010386800000000 ] - [ -0.0003189500000000, -0.0001286500000000, 0.0000452400000000 ] - [ -0.0007435200000000, 0.0013336100000000, 0.0013649600000000 ] - [ 0.0004754300000000, 0.0001919700000000, -0.0000247100000000 ] - [ -0.0004937800000000, 0.0003445400000000, 0.0001520600000000 ] - [ 0.0002350900000000, 0.0000328100000000, 0.0000904000000000 ] - [ 0.0001605300000000, -0.0002457300000000, -0.0001675500000000 ] - [ -0.0001819900000000, -0.0001115600000000, -0.0003975900000000 ] - [ -0.0010377800000000, 0.0014461200000000, -0.0005073700000000 ] - [ 0.0007014100000000, -0.0001784600000000, -0.0004425700000000 ] - [ 0.0006586900000000, -0.0006243700000000, 0.0004983300000000 ] - [ -0.0008547500000000, 0.0000264300000000, 0.0006046900000000 ] - [ -0.0449597400000000, 0.0072197400000000, 0.0057769100000000 ] - [ 0.0039233700000000, 0.0042437300000000, -0.0004131300000000 ] - [ 0.0027140900000000, -0.0044207300000000, -0.0005941000000000 ] - [ -0.0024804000000000, -0.0033321100000000, -0.0019629500000000 ] - [ -0.0000917900000000, 0.0000882000000000, -0.0014116200000000 ] - [ 0.0000888000000000, 0.0001337700000000, -0.0018517700000000 ] - [ 0.0000620800000000, -0.0001146600000000, -0.0014680600000000 ] - [ -0.0000751000000000, -0.0001202300000000, -0.0013732700000000 ] - [ -0.0013157100000000, 0.0206955600000000, -0.0085321700000000 ] - [ 0.0039732600000000, 0.0004024000000000, 0.0019724500000000 ] - [ 0.0027656400000000, -0.0037667100000000, -0.0017431400000000 ] - [ -0.0042377900000000, -0.0011398600000000, -0.0003343000000000 ] - [ -0.0003880300000000, 0.0003096700000000, -0.0003444600000000 ] - [ 0.0002932300000000, -0.0002786700000000, -0.0002239200000000 ] - [ 0.0003638600000000, -0.0002272600000000, 0.0000650000000000 ] - [ -0.0001794500000000, 0.0001727600000000, -0.0001160100000000 ] - [ 0.0002328200000000, 0.0061486400000000, 0.0029499600000000 ] - [ 0.0025557600000000, 0.0003258900000000, 0.0005949600000000 ] - [ 0.0006647200000000, -0.0020896900000000, 0.0006242400000000 ] - [ -0.0007841900000000, -0.0009839900000000, 0.0019018600000000 ] - [ -0.0004416200000000, 0.0001820400000000, -0.0010422400000000 ] - [ 0.0001527400000000, 0.0001944800000000, 0.0019531400000000 ] - [ -0.0000630100000000, -0.0004834200000000, 0.0019912300000000 ] - [ 0.0000394000000000, -0.0001899700000000, 0.0008047300000000 ] - [ 0.0024344800000000, -0.0050897800000000, 0.0018018500000000 ] - [ -0.0008720300000000, -0.0003573600000000, 0.0002918900000000 ] - [ -0.0124248700000000, 0.0265280900000000, 0.0144734900000000 ] - [ 0.0009576900000000, 0.0003618100000000, 0.0005073100000000 ] - [ 0.0002434200000000, -0.0003081400000000, -0.0002159200000000 ] - [ -0.0002324000000000, -0.0000071800000000, -0.0001274100000000 ] - [ -0.0003801000000000, 0.0002174800000000, 0.0002009100000000 ] - [ 0.0003184200000000, 0.0001842200000000, -0.0002346900000000 ] - [ 0.0713981800000000, -0.0769492400000000, -0.0213376800000000 ] - [ -0.0011169200000000, -0.0007872900000000, 0.0006305900000000 ] - [ -0.0009783900000000, 0.0027146800000000, 0.0006682900000000 ] - [ 0.0023703600000000, 0.0007811300000000, 0.0001774200000000 ] - [ 0.0008138100000000, -0.0001398000000000, 0.0005991000000000 ] - [ 0.0002928900000000, -0.0000339100000000, 0.0007859500000000 ] - [ 0.0004790800000000, 0.0002086600000000, 0.0004587300000000 ] - [ 0.0007669300000000, 0.0000426400000000, 0.0006154500000000 ] - [ 0.0006142700000000, 0.0101704600000000, 0.0010774500000000 ] - [ -0.0012992400000000, 0.0015065100000000, 0.0006395900000000 ] - [ -0.0112938600000000, 0.0031852800000000, 0.0000906100000000 ] - [ 0.0000926700000000, -0.0025694800000000, -0.0000183600000000 ] - [ -0.0002141900000000, -0.0004701900000000, 0.0006120500000000 ] - [ -0.0003495600000000, -0.0004822100000000, 0.0005531900000000 ] - [ -0.0003510600000000, -0.0005477000000000, 0.0006286500000000 ] - [ -0.0002832300000000, -0.0006797900000000, 0.0006045700000000 ] - [ -0.0025061800000000, 0.0022305700000000, -0.0078756100000000 ] - [ -0.0003286000000000, 0.0001074200000000, -0.0007420800000000 ] - [ -0.0003971200000000, 0.0022319400000000, 0.0008252200000000 ] - [ 0.0008655400000000, 0.0007983000000000, -0.0006295500000000 ] - [ 0.0004888400000000, 0.0008332400000000, 0.0002312100000000 ] - [ 0.0001221100000000, 0.0004182500000000, -0.0005668600000000 ] - [ 0.0001054800000000, 0.0008255400000000, -0.0012248900000000 ] - [ 0.0004341900000000, 0.0005993600000000, -0.0003545700000000 ] - [ -0.0009610600000000, 0.0009353100000000, -0.0015016800000000 ] - [ 0.0016310800000000, -0.0004960500000000, -0.0010281400000000 ] - [ 0.0058272000000000, -0.0004648200000000, 0.0046344300000000 ] - [ -0.0009605600000000, -0.0004374600000000, -0.0000068500000000 ] - [ 0.0000249400000000, -0.0001539800000000, -0.0005062000000000 ] - [ 0.0006041100000000, -0.0004677400000000, -0.0000326300000000 ] - [ 0.0010832800000000, -0.0011881300000000, -0.0003360200000000 ] - [ 0.0000258300000000, -0.0005118500000000, -0.0006344700000000 ] - [ -0.0082149300000000, 0.0046492300000000, -0.0012360600000000 ] - [ 0.0017655800000000, -0.0017380300000000, 0.0008225300000000 ] - [ 0.0017621600000000, 0.0120249300000000, -0.0005136300000000 ] - [ -0.0016705500000000, 0.0024647300000000, 0.0000636100000000 ] - [ -0.0003888800000000, 0.0005471500000000, 0.0005693400000000 ] - [ -0.0001925100000000, 0.0003561700000000, 0.0006485500000000 ] - [ -0.0001938600000000, 0.0005150700000000, 0.0006740800000000 ] - [ -0.0004037800000000, 0.0006346300000000, 0.0005423900000000 ] - [ 0.0000785300000000, -0.0008931000000000, -0.0003459300000000 ] - [ -0.0004473200000000, -0.0000420900000000, 0.0010526600000000 ] - [ -0.0001468600000000, 0.0003793200000000, 0.0002976800000000 ] - [ 0.0001598800000000, 0.0001594300000000, -0.0001352200000000 ] - [ -0.0010883000000000, -0.0021938600000000, 0.0059598900000000 ] - [ -0.0006219800000000, -0.0008215900000000, -0.0010094300000000 ] - [ -0.0003870800000000, 0.0010444300000000, -0.0010888700000000 ] - [ 0.0003568300000000, 0.0006726900000000, 0.0009150400000000 ] - [ -0.0040779500000000, -0.0057712900000000, 0.0054832700000000 ] - [ -0.0010602600000000, -0.0011574400000000, -0.0010122300000000 ] - [ -0.0009520100000000, 0.0015295900000000, -0.0009912800000000 ] - [ -0.0003144900000000, 0.0011601500000000, 0.0000369500000000 ] - [ -0.0004405900000000, -0.0005351300000000, -0.0007550300000000 ] - [ -0.0013747500000000, 0.0000120800000000, 0.0002908700000000 ] - [ -0.0008443900000000, 0.0002960200000000, -0.0003382400000000 ] - [ -0.0004030100000000, 0.0000403700000000, -0.0006524300000000 ]- atom: 49 displacement: [ 0.0050000000070270, -0.0086602540337873, 0.0000000000000000 ] forces: - [ -0.0001369100000000, 0.0002490000000000, -0.0005096400000000 ] - [ 0.0000597300000000, -0.0000208400000000, 0.0000883600000000 ] - [ 0.0000288400000000, 0.0000087400000000, 0.0007594700000000 ] - [ -0.0000745200000000, -0.0000327300000000, 0.0000728200000000 ] - [ -0.0005132000000000, 0.0009198000000000, 0.0010300000000000 ] - [ 0.0003217000000000, 0.0001305800000000, -0.0000445500000000 ] - [ 0.0007640300000000, -0.0013773400000000, -0.0013091600000000 ] - [ -0.0004782800000000, -0.0001943200000000, 0.0000255100000000 ] - [ 0.0004924400000000, -0.0003426500000000, -0.0001542000000000 ] - [ -0.0002345200000000, -0.0000320300000000, -0.0000896800000000 ] - [ -0.0001606700000000, 0.0002448200000000, 0.0001679600000000 ] - [ 0.0001812700000000, 0.0001108000000000, 0.0003954300000000 ] - [ 0.0010442700000000, -0.0014360200000000, 0.0005227900000000 ] - [ -0.0007025300000000, 0.0001814300000000, 0.0004400200000000 ] - [ -0.0006612500000000, 0.0006248900000000, -0.0005018800000000 ] - [ 0.0008589000000000, -0.0000286700000000, -0.0006066700000000 ] - [ 0.0439616800000000, -0.0076347200000000, -0.0082057600000000 ] - [ -0.0039222200000000, -0.0042703500000000, -0.0022537200000000 ] - [ -0.0027175100000000, 0.0044387900000000, -0.0020763800000000 ] - [ 0.0024739500000000, 0.0033299900000000, -0.0007099200000000 ] - [ 0.0000960500000000, -0.0000811900000000, -0.0012548500000000 ] - [ -0.0000848400000000, -0.0001269300000000, -0.0008185400000000 ] - [ -0.0000571400000000, 0.0001218800000000, -0.0011992300000000 ] - [ 0.0000804100000000, 0.0001284700000000, -0.0012941900000000 ] - [ 0.0016574800000000, -0.0203719500000000, 0.0081626400000000 ] - [ -0.0039637000000000, -0.0003944400000000, -0.0019609200000000 ] - [ -0.0027703400000000, 0.0037714300000000, 0.0017575200000000 ] - [ 0.0042550700000000, 0.0011171800000000, 0.0003461400000000 ] - [ 0.0003892300000000, -0.0003103200000000, 0.0003451000000000 ] - [ -0.0002945200000000, 0.0002826200000000, 0.0002239300000000 ] - [ -0.0003663100000000, 0.0002278300000000, -0.0000664800000000 ] - [ 0.0001775400000000, -0.0001732800000000, 0.0001151300000000 ] - [ -0.0002548700000000, -0.0061384100000000, -0.0002945000000000 ] - [ -0.0025373100000000, -0.0003337400000000, 0.0020719700000000 ] - [ -0.0006682400000000, 0.0020797000000000, 0.0020491100000000 ] - [ 0.0007743200000000, 0.0009737400000000, 0.0007704400000000 ] - [ 0.0004410400000000, -0.0001936500000000, 0.0037281700000000 ] - [ -0.0001578800000000, -0.0002032900000000, 0.0007112900000000 ] - [ 0.0000599000000000, 0.0004782100000000, 0.0006707100000000 ] - [ -0.0000438300000000, 0.0001836800000000, 0.0018589700000000 ] - [ -0.0024260900000000, 0.0050715300000000, -0.0017802100000000 ] - [ 0.0008836200000000, 0.0003717500000000, -0.0002956400000000 ] - [ 0.0132269100000000, -0.0281916000000000, -0.0159342900000000 ] - [ -0.0009743500000000, -0.0003593500000000, -0.0005126700000000 ] - [ -0.0002444000000000, 0.0003096200000000, 0.0002154900000000 ] - [ 0.0002349700000000, 0.0000078400000000, 0.0001269800000000 ] - [ 0.0003835600000000, -0.0002197900000000, -0.0002037600000000 ] - [ -0.0003172700000000, -0.0001887100000000, 0.0002351800000000 ] - [ -0.0703021800000000, 0.0786949900000000, 0.0238840100000000 ] - [ 0.0023817400000000, 0.0007871900000000, 0.0003718100000000 ] - [ 0.0022403400000000, -0.0027190600000000, 0.0003343000000000 ] - [ -0.0011076200000000, -0.0007830800000000, 0.0008257800000000 ] - [ 0.0004461500000000, 0.0001383400000000, 0.0004053500000000 ] - [ 0.0009688700000000, 0.0000323700000000, 0.0002178000000000 ] - [ 0.0007819500000000, -0.0002101700000000, 0.0005459500000000 ] - [ 0.0004932800000000, -0.0000432100000000, 0.0003879100000000 ] - [ -0.0012292800000000, -0.0111615400000000, -0.0000763800000000 ] - [ 0.0006556700000000, -0.0026153700000000, 0.0003570300000000 ] - [ 0.0108033300000000, -0.0043247700000000, 0.0009315300000000 ] - [ -0.0007012200000000, 0.0015023000000000, 0.0010352500000000 ] - [ -0.0004190500000000, -0.0006295000000000, 0.0003879500000000 ] - [ -0.0002843900000000, -0.0006172000000000, 0.0004469100000000 ] - [ -0.0002820300000000, -0.0005488500000000, 0.0003729600000000 ] - [ -0.0003508800000000, -0.0004173900000000, 0.0003947400000000 ] - [ 0.0031374100000000, -0.0011284200000000, 0.0068153200000000 ] - [ 0.0009593300000000, 0.0009886100000000, -0.0002568400000000 ] - [ 0.0010135100000000, -0.0011083000000000, -0.0018165000000000 ] - [ -0.0002273900000000, 0.0003049500000000, -0.0003687600000000 ] - [ 0.0001437700000000, 0.0002606300000000, -0.0012356200000000 ] - [ 0.0005138800000000, 0.0006802600000000, -0.0004316500000000 ] - [ 0.0005302800000000, 0.0002724400000000, 0.0002297500000000 ] - [ 0.0002008700000000, 0.0005008500000000, -0.0006425900000000 ] - [ 0.0015917300000000, -0.0020254700000000, 0.0004925000000000 ] - [ -0.0010002100000000, -0.0006062300000000, 0.0000292700000000 ] - [ -0.0052260600000000, -0.0005995300000000, -0.0056498500000000 ] - [ 0.0015918400000000, -0.0006477400000000, -0.0010047000000000 ] - [ 0.0006074000000000, -0.0009416400000000, -0.0004954000000000 ] - [ 0.0000274200000000, -0.0006254100000000, -0.0009716100000000 ] - [ -0.0004559900000000, 0.0000998000000000, -0.0006669100000000 ] - [ 0.0006083600000000, -0.0005784100000000, -0.0003679500000000 ] - [ 0.0075099400000000, -0.0035116200000000, 0.0022256800000000 ] - [ -0.0024377600000000, 0.0028170200000000, 0.0001795500000000 ] - [ -0.0024415300000000, -0.0110631800000000, 0.0015373300000000 ] - [ 0.0010498600000000, -0.0013631500000000, 0.0009396700000000 ] - [ -0.0002425200000000, 0.0005414800000000, 0.0004341000000000 ] - [ -0.0004378900000000, 0.0007345900000000, 0.0003561900000000 ] - [ -0.0004388300000000, 0.0005772800000000, 0.0003303200000000 ] - [ -0.0002260600000000, 0.0004573400000000, 0.0004613300000000 ] - [ -0.0000781400000000, 0.0008910900000000, 0.0003451600000000 ] - [ 0.0004452100000000, 0.0000414900000000, -0.0010489700000000 ] - [ 0.0001462600000000, -0.0003792900000000, -0.0002995800000000 ] - [ -0.0001587800000000, -0.0001595200000000, 0.0001342000000000 ] - [ 0.0011040100000000, 0.0021790700000000, -0.0059806300000000 ] - [ 0.0006229600000000, 0.0008269200000000, 0.0010125300000000 ] - [ 0.0003882100000000, -0.0010485700000000, 0.0010974900000000 ] - [ -0.0003538200000000, -0.0006728200000000, -0.0009070800000000 ] - [ 0.0027855100000000, 0.0058338500000000, -0.0064960800000000 ] - [ -0.0001984700000000, 0.0011544000000000, 0.0000070500000000 ] - [ -0.0003082000000000, -0.0015282900000000, -0.0000177300000000 ] - [ -0.0009477000000000, -0.0011598500000000, -0.0010468500000000 ] - [ -0.0008210400000000, 0.0005384200000000, -0.0002468500000000 ] - [ 0.0001197600000000, -0.0000111300000000, -0.0012990600000000 ] - [ -0.0004159800000000, -0.0002955800000000, -0.0006639500000000 ] - [ -0.0008600400000000, -0.0000393500000000, -0.0003494900000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001830500000000, 0.0003078300000000, -0.0008260100000000 ] - [ 0.0000942300000000, 0.0001448400000000, -0.0004993800000000 ] - [ 0.0000878000000000, -0.0004215400000000, -0.0014280500000000 ] - [ -0.0000379700000000, -0.0000735100000000, -0.0004686100000000 ] - [ 0.0004557100000000, -0.0010381700000000, 0.0001951000000000 ] - [ -0.0003849700000000, -0.0002042400000000, 0.0004259800000000 ] - [ -0.0007589100000000, 0.0008005800000000, 0.0002140100000000 ] - [ 0.0005411900000000, 0.0003316100000000, 0.0003171700000000 ] - [ 0.0000878000000000, 0.0004215400000000, -0.0014280500000000 ] - [ -0.0000379700000000, 0.0000735100000000, -0.0004686100000000 ] - [ 0.0000942300000000, -0.0001448400000000, -0.0004993800000000 ] - [ -0.0001830500000000, -0.0003078300000000, -0.0008260100000000 ] - [ -0.0007589100000000, -0.0008005800000000, 0.0002140100000000 ] - [ 0.0005411900000000, -0.0003316100000000, 0.0003171700000000 ] - [ -0.0003849700000000, 0.0002042400000000, 0.0004259800000000 ] - [ 0.0004557100000000, 0.0010381700000000, 0.0001951000000000 ] - [ -0.0119663500000000, 0.0000000000000000, 0.0087826700000000 ] - [ -0.0006537300000000, 0.0000000000000000, 0.0015737300000000 ] - [ 0.0001709800000000, -0.0001942600000000, 0.0000526000000000 ] - [ 0.0001709800000000, 0.0001942600000000, 0.0000526000000000 ] - [ 0.0000073400000000, 0.0000000000000000, -0.0035091100000000 ] - [ -0.0000201400000000, 0.0000000000000000, -0.0032386300000000 ] - [ -0.0000111000000000, 0.0000594800000000, -0.0024546000000000 ] - [ -0.0000111000000000, -0.0000594800000000, -0.0024546000000000 ] - [ -0.0077965000000000, -0.0154131800000000, 0.0223149200000000 ] - [ 0.0008197600000000, 0.0001465700000000, 0.0018814100000000 ] - [ 0.0004302300000000, -0.0005500000000000, 0.0012263100000000 ] - [ -0.0016413500000000, -0.0014620800000000, 0.0033433800000000 ] - [ -0.0003730000000000, -0.0001138700000000, -0.0017548500000000 ] - [ 0.0002622700000000, -0.0004373000000000, -0.0010851100000000 ] - [ -0.0002129800000000, -0.0000225200000000, -0.0009027800000000 ] - [ 0.0003105900000000, 0.0005286900000000, -0.0011191900000000 ] - [ -0.0055385500000000, 0.0000000000000000, -0.0015661100000000 ] - [ 0.0051565400000000, 0.0000000000000000, 0.0007086900000000 ] - [ 0.0000786700000000, -0.0005584200000000, 0.0010597700000000 ] - [ 0.0000786700000000, 0.0005584200000000, 0.0010597700000000 ] - [ -0.0000471800000000, 0.0000000000000000, -0.0038291000000000 ] - [ -0.0006521600000000, 0.0000000000000000, 0.0007437000000000 ] - [ 0.0001051500000000, 0.0004582200000000, 0.0010884200000000 ] - [ 0.0001051500000000, -0.0004582200000000, 0.0010884200000000 ] - [ -0.0016413500000000, 0.0014620800000000, 0.0033433800000000 ] - [ 0.0004302300000000, 0.0005500000000000, 0.0012263100000000 ] - [ -0.0077965000000000, 0.0154131800000000, 0.0223149200000000 ] - [ 0.0008197600000000, -0.0001465700000000, 0.0018814100000000 ] - [ 0.0003105900000000, -0.0005286900000000, -0.0011191900000000 ] - [ -0.0002129800000000, 0.0000225200000000, -0.0009027800000000 ] - [ -0.0003730000000000, 0.0001138700000000, -0.0017548500000000 ] - [ 0.0002622700000000, 0.0004373000000000, -0.0010851100000000 ] - [ 0.0453032400000000, 0.0000000000000000, -0.0688395800000000 ] - [ 0.0003739800000000, 0.0000000000000000, -0.0004572400000000 ] - [ 0.0007879500000000, 0.0002826400000000, -0.0003184200000000 ] - [ 0.0007879500000000, -0.0002826400000000, -0.0003184200000000 ] - [ 0.0004359500000000, 0.0000000000000000, 0.0017288300000000 ] - [ 0.0000632200000000, 0.0000000000000000, 0.0015452200000000 ] - [ 0.0005597800000000, -0.0000915900000000, 0.0012177100000000 ] - [ 0.0005597800000000, 0.0000915900000000, 0.0012177100000000 ] - [ 0.0000048400000000, -0.0008642200000000, -0.0028844600000000 ] - [ -0.0007533000000000, -0.0006371600000000, -0.0003382900000000 ] - [ -0.0013514800000000, -0.0004705600000000, -0.0028801500000000 ] - [ -0.0020356700000000, -0.0021436700000000, -0.0024018300000000 ] - [ -0.0001702800000000, -0.0003149800000000, 0.0014845500000000 ] - [ -0.0002753200000000, -0.0004624900000000, 0.0010924300000000 ] - [ -0.0001443600000000, -0.0003189400000000, 0.0014840900000000 ] - [ -0.0002491700000000, -0.0003869900000000, 0.0015092100000000 ] - [ 0.0054374400000000, -0.0049322500000000, 0.0041929700000000 ] - [ -0.0006774500000000, -0.0001756600000000, -0.0010374200000000 ] - [ -0.0002159200000000, 0.0017713800000000, -0.0006139100000000 ] - [ 0.0008147900000000, 0.0005554600000000, -0.0010377200000000 ] - [ 0.0004803200000000, 0.0014906100000000, 0.0013194700000000 ] - [ 0.0003118500000000, 0.0007104500000000, -0.0001498400000000 ] - [ 0.0007870200000000, -0.0000243400000000, 0.0005780400000000 ] - [ 0.0001826100000000, 0.0003923000000000, -0.0001496700000000 ] - [ 0.0008147900000000, -0.0005554600000000, -0.0010377200000000 ] - [ -0.0002159200000000, -0.0017713800000000, -0.0006139100000000 ] - [ 0.0054374400000000, 0.0049322500000000, 0.0041929700000000 ] - [ -0.0006774500000000, 0.0001756600000000, -0.0010374200000000 ] - [ 0.0001826100000000, -0.0003923000000000, -0.0001496700000000 ] - [ 0.0007870200000000, 0.0000243400000000, 0.0005780400000000 ] - [ 0.0004803200000000, -0.0014906100000000, 0.0013194700000000 ] - [ 0.0003118500000000, -0.0007104500000000, -0.0001498400000000 ] - [ -0.0020356700000000, 0.0021436700000000, -0.0024018300000000 ] - [ -0.0013514800000000, 0.0004705600000000, -0.0028801500000000 ] - [ 0.0000048400000000, 0.0008642200000000, -0.0028844600000000 ] - [ -0.0007533000000000, 0.0006371600000000, -0.0003382900000000 ] - [ -0.0002491700000000, 0.0003869900000000, 0.0015092100000000 ] - [ -0.0001443600000000, 0.0003189400000000, 0.0014840900000000 ] - [ -0.0001702800000000, 0.0003149800000000, 0.0014845500000000 ] - [ -0.0002753200000000, 0.0004624900000000, 0.0010924300000000 ] - [ 0.0004726400000000, 0.0000000000000000, 0.0024434500000000 ] - [ -0.0009434900000000, 0.0000000000000000, 0.0026338400000000 ] - [ 0.0000013600000000, 0.0001404100000000, 0.0009264900000000 ] - [ 0.0000013600000000, -0.0001404100000000, 0.0009264900000000 ] - [ -0.0067286000000000, 0.0000000000000000, 0.0089796300000000 ] - [ 0.0010931300000000, 0.0000000000000000, -0.0008887100000000 ] - [ -0.0000576300000000, -0.0005153200000000, -0.0008689700000000 ] - [ -0.0000576300000000, 0.0005153200000000, -0.0008689700000000 ] - [ -0.0125340500000000, 0.0000000000000000, 0.0091328700000000 ] - [ 0.0003880400000000, 0.0000000000000000, -0.0013729200000000 ] - [ -0.0006859700000000, -0.0005929500000000, -0.0008575300000000 ] - [ -0.0006859700000000, 0.0005929500000000, -0.0008575300000000 ] - [ -0.0001209400000000, 0.0000000000000000, 0.0008670400000000 ] - [ -0.0022229200000000, 0.0000000000000000, 0.0012842500000000 ] - [ -0.0006411400000000, 0.0001816800000000, -0.0002084900000000 ] - [ -0.0006411400000000, -0.0001816800000000, -0.0002084900000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001831600000000, -0.0003094700000000, 0.0008242400000000 ] - [ -0.0000945000000000, -0.0001459300000000, 0.0004974600000000 ] - [ -0.0000880200000000, 0.0004228600000000, 0.0014273900000000 ] - [ 0.0000381800000000, 0.0000735600000000, 0.0004660500000000 ] - [ -0.0004512000000000, 0.0010332200000000, -0.0001894100000000 ] - [ 0.0003811000000000, 0.0002024800000000, -0.0004205100000000 ] - [ 0.0007902300000000, -0.0008723900000000, -0.0001080500000000 ] - [ -0.0005417400000000, -0.0003317400000000, -0.0003100500000000 ] - [ -0.0000880200000000, -0.0004228600000000, 0.0014273900000000 ] - [ 0.0000381800000000, -0.0000735600000000, 0.0004660500000000 ] - [ -0.0000945000000000, 0.0001459300000000, 0.0004974600000000 ] - [ 0.0001831600000000, 0.0003094700000000, 0.0008242400000000 ] - [ 0.0007902300000000, 0.0008723900000000, -0.0001080500000000 ] - [ -0.0005417400000000, 0.0003317400000000, -0.0003100500000000 ] - [ 0.0003811000000000, -0.0002024800000000, -0.0004205100000000 ] - [ -0.0004512000000000, -0.0010332200000000, -0.0001894100000000 ] - [ 0.0121235700000000, 0.0000000000000000, -0.0115771800000000 ] - [ 0.0006656900000000, 0.0000000000000000, -0.0042297300000000 ] - [ -0.0001602800000000, 0.0001885800000000, -0.0027076000000000 ] - [ -0.0001602800000000, -0.0001885800000000, -0.0027076000000000 ] - [ -0.0000027800000000, 0.0000000000000000, 0.0008386900000000 ] - [ 0.0000238900000000, 0.0000000000000000, 0.0005704300000000 ] - [ 0.0000154700000000, -0.0000590100000000, -0.0002165100000000 ] - [ 0.0000154700000000, 0.0000590100000000, -0.0002165100000000 ] - [ 0.0082119600000000, 0.0161969000000000, -0.0226532000000000 ] - [ -0.0008323400000000, -0.0001462600000000, -0.0018972200000000 ] - [ -0.0004256800000000, 0.0005465500000000, -0.0012375300000000 ] - [ 0.0016421200000000, 0.0014560500000000, -0.0033678900000000 ] - [ 0.0003724500000000, 0.0001119400000000, 0.0017493100000000 ] - [ -0.0002592200000000, 0.0004352700000000, 0.0010848400000000 ] - [ 0.0002103800000000, 0.0000248300000000, 0.0009022900000000 ] - [ -0.0003109900000000, -0.0005229200000000, 0.0011184800000000 ] - [ 0.0055615600000000, 0.0000000000000000, 0.0042435500000000 ] - [ -0.0051743800000000, 0.0000000000000000, 0.0019523100000000 ] - [ -0.0000847200000000, 0.0005580000000000, 0.0016005900000000 ] - [ -0.0000847200000000, -0.0005580000000000, 0.0016005900000000 ] - [ 0.0000446900000000, 0.0000000000000000, 0.0064906200000000 ] - [ 0.0006418100000000, 0.0000000000000000, 0.0019257100000000 ] - [ -0.0001080300000000, -0.0004531800000000, 0.0015818000000000 ] - [ -0.0001080300000000, 0.0004531800000000, 0.0015818000000000 ] - [ 0.0016421200000000, -0.0014560500000000, -0.0033678900000000 ] - [ -0.0004256800000000, -0.0005465500000000, -0.0012375300000000 ] - [ 0.0082119600000000, -0.0161969000000000, -0.0226532000000000 ] - [ -0.0008323400000000, 0.0001462600000000, -0.0018972200000000 ] - [ -0.0003109900000000, 0.0005229200000000, 0.0011184800000000 ] - [ 0.0002103800000000, -0.0000248300000000, 0.0009022900000000 ] - [ 0.0003724500000000, -0.0001119400000000, 0.0017493100000000 ] - [ -0.0002592200000000, -0.0004352700000000, 0.0010848400000000 ] - [ -0.0451091900000000, 0.0000000000000000, 0.0705964200000000 ] - [ 0.0008920200000000, 0.0000000000000000, 0.0014627000000000 ] - [ 0.0004752700000000, -0.0002848600000000, 0.0013227400000000 ] - [ 0.0004752700000000, 0.0002848600000000, 0.0013227400000000 ] - [ 0.0008238300000000, 0.0000000000000000, -0.0007193700000000 ] - [ 0.0012010100000000, 0.0000000000000000, -0.0005379000000000 ] - [ 0.0007011400000000, 0.0000899100000000, -0.0002088000000000 ] - [ 0.0007011400000000, -0.0000899100000000, -0.0002088000000000 ] - [ -0.0006390900000000, -0.0002646300000000, 0.0038814300000000 ] - [ 0.0001221000000000, -0.0004585300000000, 0.0013423300000000 ] - [ 0.0006995400000000, -0.0006206300000000, 0.0038860100000000 ] - [ 0.0014244600000000, 0.0010697400000000, 0.0034041300000000 ] - [ -0.0004636400000000, -0.0007797900000000, -0.0004769900000000 ] - [ -0.0003564300000000, -0.0006335600000000, -0.0000859300000000 ] - [ -0.0004883100000000, -0.0007770100000000, -0.0004771800000000 ] - [ -0.0003850200000000, -0.0007074800000000, -0.0005037400000000 ] - [ -0.0048473400000000, 0.0060952300000000, -0.0052334300000000 ] - [ 0.0013177300000000, 0.0012778900000000, 0.0000399800000000 ] - [ 0.0008427200000000, -0.0006683600000000, -0.0003774000000000 ] - [ -0.0001828500000000, 0.0005406000000000, 0.0000395500000000 ] - [ 0.0001497900000000, -0.0003931600000000, -0.0023173300000000 ] - [ 0.0003241100000000, 0.0003853700000000, -0.0008554500000000 ] - [ -0.0001508600000000, 0.0011148900000000, -0.0015767300000000 ] - [ 0.0004500200000000, 0.0007045300000000, -0.0008552000000000 ] - [ -0.0001828500000000, -0.0005406000000000, 0.0000395500000000 ] - [ 0.0008427200000000, 0.0006683600000000, -0.0003774000000000 ] - [ -0.0048473400000000, -0.0060952300000000, -0.0052334300000000 ] - [ 0.0013177300000000, -0.0012778900000000, 0.0000399800000000 ] - [ 0.0004500200000000, -0.0007045300000000, -0.0008552000000000 ] - [ -0.0001508600000000, -0.0011148900000000, -0.0015767300000000 ] - [ 0.0001497900000000, 0.0003931600000000, -0.0023173300000000 ] - [ 0.0003241100000000, -0.0003853700000000, -0.0008554500000000 ] - [ 0.0014244600000000, -0.0010697400000000, 0.0034041300000000 ] - [ 0.0006995400000000, 0.0006206300000000, 0.0038860100000000 ] - [ -0.0006390900000000, 0.0002646300000000, 0.0038814300000000 ] - [ 0.0001221000000000, 0.0004585300000000, 0.0013423300000000 ] - [ -0.0003850200000000, 0.0007074800000000, -0.0005037400000000 ] - [ -0.0004883100000000, 0.0007770100000000, -0.0004771800000000 ] - [ -0.0004636400000000, 0.0007797900000000, -0.0004769900000000 ] - [ -0.0003564300000000, 0.0006335600000000, -0.0000859300000000 ] - [ -0.0004737100000000, 0.0000000000000000, -0.0024420400000000 ] - [ 0.0009482400000000, 0.0000000000000000, -0.0026394200000000 ] - [ -0.0000014200000000, -0.0001410600000000, -0.0009194600000000 ] - [ -0.0000014200000000, 0.0001410600000000, -0.0009194600000000 ] - [ 0.0066492300000000, 0.0000000000000000, -0.0089315100000000 ] - [ -0.0010858200000000, 0.0000000000000000, 0.0008778900000000 ] - [ 0.0000566300000000, 0.0005101200000000, 0.0008567700000000 ] - [ 0.0000566300000000, -0.0005101200000000, 0.0008567700000000 ] - [ 0.0114253800000000, 0.0000000000000000, -0.0102775000000000 ] - [ -0.0016523300000000, 0.0000000000000000, 0.0003738900000000 ] - [ -0.0005760900000000, 0.0005953200000000, -0.0001432800000000 ] - [ -0.0005760900000000, -0.0005953200000000, -0.0001432800000000 ] - [ -0.0011387400000000, 0.0000000000000000, -0.0018658100000000 ] - [ 0.0009557900000000, 0.0000000000000000, -0.0022857100000000 ] - [ -0.0006207100000000, -0.0001814100000000, -0.0007995400000000 ] - [ -0.0006207100000000, 0.0001814100000000, -0.0007995400000000 ]- atom: 89 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0018117000000000, 0.0000057200000000, 0.0001503300000000 ] - [ -0.0008760500000000, -0.0000035600000000, 0.0000001500000000 ] - [ -0.0017613300000000, 0.0020696800000000, -0.0000758500000000 ] - [ -0.0018139300000000, -0.0020865600000000, -0.0000748200000000 ] - [ 0.0000644900000000, 0.0000001300000000, -0.0000351100000000 ] - [ -0.0000505300000000, -0.0000002000000000, -0.0000000800000000 ] - [ -0.0000046000000000, 0.0000397200000000, 0.0000176900000000 ] - [ -0.0000042900000000, -0.0000401000000000, 0.0000174500000000 ] - [ -0.0017613300000000, -0.0020696800000000, -0.0000758500000000 ] - [ -0.0018139300000000, 0.0020865600000000, -0.0000748200000000 ] - [ -0.0008760500000000, 0.0000035600000000, 0.0000001500000000 ] - [ 0.0018117000000000, -0.0000057200000000, 0.0001503300000000 ] - [ -0.0000046000000000, -0.0000397200000000, 0.0000176900000000 ] - [ -0.0000042900000000, 0.0000401000000000, 0.0000174500000000 ] - [ -0.0000505300000000, 0.0000002000000000, -0.0000000800000000 ] - [ 0.0000644900000000, -0.0000001300000000, -0.0000351100000000 ] - [ 0.0008130400000000, 0.0000000000000000, -0.0013292400000000 ] - [ -0.0007701500000000, 0.0000000000000000, -0.0012602100000000 ] - [ -0.0000682000000000, 0.0004038700000000, -0.0013708400000000 ] - [ -0.0000682000000000, -0.0004038700000000, -0.0013708400000000 ] - [ 0.0055405400000000, 0.0000000000000000, -0.0010628300000000 ] - [ -0.0019244200000000, 0.0000000000000000, -0.0013598200000000 ] - [ -0.0001631200000000, 0.0010180000000000, -0.0013137700000000 ] - [ -0.0001631200000000, -0.0010180000000000, -0.0013137700000000 ] - [ -0.0007048300000000, -0.0002935500000000, -0.0010267000000000 ] - [ -0.0005921600000000, 0.0018862100000000, 0.0014794700000000 ] - [ -0.0004956000000000, -0.0002978000000000, -0.0000020800000000 ] - [ 0.0012310000000000, 0.0006826300000000, -0.0004543000000000 ] - [ -0.0005862100000000, -0.0018817300000000, 0.0014834000000000 ] - [ -0.0007198300000000, 0.0002918900000000, -0.0010238700000000 ] - [ -0.0004956300000000, 0.0003018000000000, 0.0000021600000000 ] - [ 0.0012374900000000, -0.0006914300000000, -0.0004570400000000 ] - [ 0.0055199100000000, 0.0000000000000000, 0.0010619000000000 ] - [ -0.0019299200000000, 0.0000000000000000, 0.0012958900000000 ] - [ -0.0001658400000000, 0.0010176800000000, 0.0013460300000000 ] - [ -0.0001658400000000, -0.0010176800000000, 0.0013460300000000 ] - [ 0.0008105500000000, 0.0000000000000000, 0.0013286400000000 ] - [ -0.0007735300000000, 0.0000000000000000, 0.0014088100000000 ] - [ -0.0000733500000000, 0.0004054800000000, 0.0012964600000000 ] - [ -0.0000733500000000, -0.0004054800000000, 0.0012964600000000 ] - [ 0.0012310000000000, -0.0006826300000000, -0.0004543000000000 ] - [ -0.0004956000000000, 0.0002978000000000, -0.0000020800000000 ] - [ -0.0007048300000000, 0.0002935500000000, -0.0010267000000000 ] - [ -0.0005921600000000, -0.0018862100000000, 0.0014794700000000 ] - [ 0.0012374900000000, 0.0006914300000000, -0.0004570400000000 ] - [ -0.0004956300000000, -0.0003018000000000, 0.0000021600000000 ] - [ -0.0005862100000000, 0.0018817300000000, 0.0014834000000000 ] - [ -0.0007198300000000, -0.0002918900000000, -0.0010238700000000 ] - [ 0.0004706200000000, 0.0000000000000000, 0.0009747500000000 ] - [ 0.0015240400000000, 0.0000000000000000, -0.0004432900000000 ] - [ 0.0006176700000000, -0.0001773000000000, 0.0005039000000000 ] - [ 0.0006176700000000, 0.0001773000000000, 0.0005039000000000 ] - [ 0.0028146800000000, 0.0000000000000000, -0.0062046800000000 ] - [ 0.0018769200000000, 0.0000000000000000, 0.0015848300000000 ] - [ 0.0006626400000000, -0.0004317100000000, 0.0004449800000000 ] - [ 0.0006626400000000, 0.0004317100000000, 0.0004449800000000 ] - [ -0.0001311800000000, -0.0001414900000000, 0.0009726000000000 ] - [ -0.0002574100000000, -0.0008079600000000, 0.0003791200000000 ] - [ 0.0000850700000000, -0.0005679400000000, 0.0006238800000000 ] - [ -0.0011270000000000, -0.0001690200000000, 0.0002643600000000 ] - [ -0.0007220800000000, 0.0004033700000000, -0.0000452100000000 ] - [ 0.0000900200000000, -0.0011364200000000, 0.0009706900000000 ] - [ 0.0007835200000000, -0.0007907400000000, 0.0000823700000000 ] - [ -0.0016514500000000, 0.0015034100000000, 0.0038496500000000 ] - [ -0.0010409500000000, 0.0025826900000000, 0.0028383600000000 ] - [ 0.0014172600000000, 0.0003060700000000, -0.0009127800000000 ] - [ 0.0007204500000000, -0.0000433800000000, -0.0000254700000000 ] - [ -0.0000840800000000, 0.0014980600000000, -0.0010439500000000 ] - [ -0.0004981000000000, 0.0009240700000000, -0.0007377400000000 ] - [ 0.0007196600000000, 0.0005278600000000, -0.0003812300000000 ] - [ 0.0003743000000000, 0.0002861200000000, -0.0006249400000000 ] - [ 0.0005046400000000, 0.0009578200000000, -0.0000266700000000 ] - [ -0.0000840800000000, -0.0014980600000000, -0.0010439500000000 ] - [ 0.0007204500000000, 0.0000433800000000, -0.0000254700000000 ] - [ -0.0010409500000000, -0.0025826900000000, 0.0028383600000000 ] - [ 0.0014172600000000, -0.0003060700000000, -0.0009127800000000 ] - [ 0.0005046400000000, -0.0009578200000000, -0.0000266700000000 ] - [ 0.0003743000000000, -0.0002861200000000, -0.0006249400000000 ] - [ -0.0004981000000000, -0.0009240700000000, -0.0007377400000000 ] - [ 0.0007196600000000, -0.0005278600000000, -0.0003812300000000 ] - [ -0.0011270000000000, 0.0001690200000000, 0.0002643600000000 ] - [ 0.0000850700000000, 0.0005679400000000, 0.0006238800000000 ] - [ -0.0001311800000000, 0.0001414900000000, 0.0009726000000000 ] - [ -0.0002574100000000, 0.0008079600000000, 0.0003791200000000 ] - [ -0.0016514500000000, -0.0015034100000000, 0.0038496500000000 ] - [ 0.0007835200000000, 0.0007907400000000, 0.0000823700000000 ] - [ -0.0007220800000000, -0.0004033700000000, -0.0000452100000000 ] - [ 0.0000900200000000, 0.0011364200000000, 0.0009706900000000 ] - [ -0.0076386200000000, 0.0000000000000000, 0.0000003800000000 ] - [ 0.0020180800000000, 0.0000000000000000, 0.0000308500000000 ] - [ -0.0000552600000000, -0.0011962600000000, -0.0000151000000000 ] - [ -0.0000552600000000, 0.0011962600000000, -0.0000151000000000 ] - [ -0.0001714400000000, 0.0000000000000000, 0.0000011600000000 ] - [ 0.0002507800000000, 0.0000000000000000, -0.0002699000000000 ] - [ 0.0000213800000000, -0.0001325800000000, 0.0001340800000000 ] - [ 0.0000213800000000, 0.0001325800000000, 0.0001340800000000 ] - [ 0.0006132900000000, 0.0000000000000000, 0.0005933700000000 ] - [ 0.0015686800000000, 0.0000000000000000, -0.0071729500000000 ] - [ -0.0005985600000000, 0.0004266700000000, -0.0005586300000000 ] - [ -0.0005985600000000, -0.0004266700000000, -0.0005586300000000 ] - [ 0.0002600700000000, 0.0000000000000000, -0.0014486300000000 ] - [ -0.0007844800000000, 0.0000000000000000, -0.0000271500000000 ] - [ -0.0006440400000000, 0.0001758100000000, -0.0005019300000000 ] - [ -0.0006440400000000, -0.0001758100000000, -0.0005019300000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001472900000000, 0.0000097200000000, 0.0036204600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014128600000000 ] - [ -0.0000652300000000, -0.0001324200000000, 0.0036204600000000 ] - [ -0.0000820600000000, 0.0001227000000000, 0.0036204600000000 ] - [ 0.0000343200000000, -0.0000005600000000, -0.0015850500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011894700000000 ] - [ -0.0000176400000000, -0.0000294500000000, -0.0015850500000000 ] - [ -0.0000166800000000, 0.0000300000000000, -0.0015850500000000 ] - [ -0.0000652300000000, 0.0001324200000000, 0.0036204600000000 ] - [ -0.0000820600000000, -0.0001227000000000, 0.0036204600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014128600000000 ] - [ 0.0001472900000000, -0.0000097200000000, 0.0036204600000000 ] - [ -0.0000176400000000, 0.0000294500000000, -0.0015850500000000 ] - [ -0.0000166800000000, -0.0000300000000000, -0.0015850500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011894700000000 ] - [ 0.0000343200000000, 0.0000005600000000, -0.0015850500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0072352700000000 ] - [ 0.0006797600000000, 0.0000000000000000, -0.0035765600000000 ] - [ -0.0003398800000000, 0.0005886900000000, -0.0035765600000000 ] - [ -0.0003398800000000, -0.0005886900000000, -0.0035765600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1112342100000000 ] - [ 0.0001129700000000, 0.0000000000000000, 0.0011401900000000 ] - [ -0.0000564900000000, 0.0000978400000000, 0.0011401900000000 ] - [ -0.0000564900000000, -0.0000978400000000, 0.0011401900000000 ] - [ -0.0046133800000000, -0.0001378200000000, -0.0023619900000000 ] - [ 0.0024260500000000, -0.0039264000000000, -0.0023619900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006539500000000 ] - [ 0.0021873300000000, 0.0040642200000000, -0.0023619900000000 ] - [ 0.0024213600000000, 0.0039134300000000, -0.0023640700000000 ] - [ -0.0045998100000000, 0.0001402400000000, -0.0023640700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006579500000000 ] - [ 0.0021784500000000, -0.0040536700000000, -0.0023640700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1209709700000000 ] - [ 0.0001168000000000, 0.0000000000000000, 0.0038177500000000 ] - [ -0.0000584000000000, 0.0001011500000000, 0.0038177500000000 ] - [ -0.0000584000000000, -0.0001011500000000, 0.0038177500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0045440700000000 ] - [ 0.0006776500000000, 0.0000000000000000, -0.0009149400000000 ] - [ -0.0003388300000000, 0.0005868600000000, -0.0009149400000000 ] - [ -0.0003388300000000, -0.0005868600000000, -0.0009149400000000 ] - [ 0.0021873300000000, -0.0040642200000000, -0.0023619900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006539500000000 ] - [ -0.0046133800000000, 0.0001378200000000, -0.0023619900000000 ] - [ 0.0024260500000000, 0.0039264000000000, -0.0023619900000000 ] - [ 0.0021784500000000, 0.0040536700000000, -0.0023640700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006579500000000 ] - [ 0.0024213600000000, -0.0039134300000000, -0.0023640700000000 ] - [ -0.0045998100000000, -0.0001402400000000, -0.0023640700000000 ] - [ 0.0013280800000000, 0.0000000000000000, 0.0029470300000000 ] - [ -0.0014737900000000, 0.0000000000000000, 0.0031432700000000 ] - [ 0.0004687500000000, 0.0002511100000000, 0.0014246600000000 ] - [ 0.0004687500000000, -0.0002511100000000, 0.0014246600000000 ] - [ -0.0112260100000000, 0.0000000000000000, 0.0094248700000000 ] - [ 0.0026530800000000, 0.0000000000000000, -0.0003741700000000 ] - [ 0.0008138900000000, -0.0011550900000000, -0.0003556200000000 ] - [ 0.0008138900000000, 0.0011550900000000, -0.0003556200000000 ] - [ 0.0007368900000000, 0.0012763400000000, 0.0031432700000000 ] - [ -0.0004518500000000, -0.0002803900000000, 0.0014246600000000 ] - [ -0.0000169000000000, -0.0005315100000000, 0.0014246600000000 ] - [ -0.0006640400000000, -0.0011501500000000, 0.0029470300000000 ] - [ -0.0013265400000000, -0.0022976400000000, -0.0003741700000000 ] - [ 0.0005933900000000, -0.0012824000000000, -0.0003556200000000 ] - [ -0.0014072800000000, -0.0001273100000000, -0.0003556200000000 ] - [ 0.0056130100000000, 0.0097220100000000, 0.0094248700000000 ] - [ 0.0063268500000000, 0.0109584300000000, 0.0084863600000000 ] - [ -0.0007792800000000, 0.0009705300000000, -0.0013703000000000 ] - [ 0.0012301400000000, -0.0001896200000000, -0.0013703000000000 ] - [ -0.0006959200000000, -0.0012053600000000, -0.0013925200000000 ] - [ -0.0000275200000000, -0.0000476700000000, 0.0019384400000000 ] - [ 0.0006156900000000, 0.0005646100000000, 0.0004222100000000 ] - [ 0.0001811300000000, 0.0008155100000000, 0.0004222100000000 ] - [ 0.0013667000000000, 0.0023672000000000, 0.0021315500000000 ] - [ -0.0006959200000000, 0.0012053600000000, -0.0013925200000000 ] - [ 0.0012301400000000, 0.0001896200000000, -0.0013703000000000 ] - [ 0.0063268500000000, -0.0109584300000000, 0.0084863600000000 ] - [ -0.0007792800000000, -0.0009705300000000, -0.0013703000000000 ] - [ 0.0013667000000000, -0.0023672000000000, 0.0021315500000000 ] - [ 0.0001811300000000, -0.0008155100000000, 0.0004222100000000 ] - [ -0.0000275200000000, 0.0000476700000000, 0.0019384400000000 ] - [ 0.0006156900000000, -0.0005646100000000, 0.0004222100000000 ] - [ -0.0006640400000000, 0.0011501500000000, 0.0029470300000000 ] - [ -0.0000169000000000, 0.0005315100000000, 0.0014246600000000 ] - [ 0.0007368900000000, -0.0012763400000000, 0.0031432700000000 ] - [ -0.0004518500000000, 0.0002803900000000, 0.0014246600000000 ] - [ 0.0056130100000000, -0.0097220100000000, 0.0094248700000000 ] - [ -0.0014072800000000, 0.0001273100000000, -0.0003556200000000 ] - [ -0.0013265400000000, 0.0022976400000000, -0.0003741700000000 ] - [ 0.0005933900000000, 0.0012824000000000, -0.0003556200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2869603100000000 ] - [ 0.0000321400000000, 0.0000000000000000, -0.0031610200000000 ] - [ -0.0000160700000000, 0.0000278300000000, -0.0031610200000000 ] - [ -0.0000160700000000, -0.0000278300000000, -0.0031610200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0042294500000000 ] - [ -0.0002697400000000, 0.0000000000000000, 0.0030231000000000 ] - [ 0.0001348700000000, -0.0002336000000000, 0.0030231000000000 ] - [ 0.0001348700000000, 0.0002336000000000, 0.0030231000000000 ] - [ 0.0013918300000000, 0.0000000000000000, -0.0013925200000000 ] - [ -0.0126537100000000, 0.0000000000000000, 0.0084863600000000 ] - [ -0.0004508600000000, 0.0011601400000000, -0.0013703000000000 ] - [ -0.0004508600000000, -0.0011601400000000, -0.0013703000000000 ] - [ -0.0027334100000000, 0.0000000000000000, 0.0021315500000000 ] - [ 0.0000550400000000, 0.0000000000000000, 0.0019384400000000 ] - [ -0.0007968100000000, -0.0002508900000000, 0.0004222100000000 ] - [ -0.0007968100000000, 0.0002508900000000, 0.0004222100000000 ]