# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/dc043113-49a4-4151-928d-cf17d4e758ac/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 PbI2 / R-3m (166) / materials id 640058](https://mdr.nims.go.jp/datasets/f1344add-6a08-4820-8ed3-d83ef243630f) ## 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: "R-3m" number: 166 Hall_symbol: "-R 3 2\""primitive_matrix:- [ 0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [ 0.333333333333333, 0.333333333333333, -0.666666666666667 ]- [ 0.333333333333333, 0.333333333333333, 0.333333333333333 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 2.262691010000002, 1.306365266666665, 20.978127123333309 ] # a - [ -2.262691009999998, 1.306365266666665, 20.978127123333309 ] # b - [ 0.000000000000002, -2.612730533333334, 20.978127123333309 ] # c points: - symbol: Pb # 1 coordinates: [ 0.555425730000000, 0.555425730000002, 0.555425730000000 ] mass: 207.200000 - symbol: Pb # 2 coordinates: [ 0.000000000000000, 0.999999990000001, 0.000000000000000 ] mass: 207.200000 - symbol: Pb # 3 coordinates: [ 0.444574270000000, 0.444574270000001, 0.444574270000000 ] mass: 207.200000 - symbol: I # 4 coordinates: [ 0.636980180000000, 0.636980180000002, 0.636980180000000 ] mass: 126.904470 - symbol: I # 5 coordinates: [ 0.363019820000000, 0.363019820000001, 0.363019820000000 ] mass: 126.904470 - symbol: I # 6 coordinates: [ 0.859070450000000, 0.859070460000002, 0.859070450000000 ] mass: 126.904470 - symbol: I # 7 coordinates: [ 0.140929550000000, 0.140929540000001, 0.140929550000000 ] mass: 126.904470 - symbol: I # 8 coordinates: [ 0.748238320000000, 0.748238330000001, 0.748238320000000 ] mass: 126.904470 - symbol: I # 9 coordinates: [ 0.251761680000000, 0.251761670000002, 0.251761680000000 ] mass: 126.904470 reciprocal_lattice: # without 2pi - [ 0.220975819407176, 0.127580448531011, 0.015889565897547 ] # a* - [ -0.220975819407176, 0.127580448531011, 0.015889565897548 ] # b* - [ 0.000000000000000, -0.255160897062021, 0.015889565897547 ] # c*unit_cell: lattice: - [ 4.525382020000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.262691010000000, 3.919095800000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 62.934381369999997 ] # c points: - symbol: Pb # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.555425730000000 ] mass: 207.200000 reduced_to: 1 - symbol: Pb # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.333333330000000 ] mass: 207.200000 reduced_to: 2 - symbol: Pb # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.444574270000000 ] mass: 207.200000 reduced_to: 3 - symbol: Pb # 4 coordinates: [ 0.666666670000000, 0.333333330000000, 0.888759060000000 ] mass: 207.200000 reduced_to: 1 - symbol: Pb # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.666666670000000 ] mass: 207.200000 reduced_to: 2 - symbol: Pb # 6 coordinates: [ 0.666666670000000, 0.333333330000000, 0.777907600000000 ] mass: 207.200000 reduced_to: 3 - symbol: Pb # 7 coordinates: [ 0.333333330000000, 0.666666670000000, 0.222092400000000 ] mass: 207.200000 reduced_to: 1 - symbol: Pb # 8 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 207.200000 reduced_to: 2 - symbol: Pb # 9 coordinates: [ 0.333333330000000, 0.666666670000000, 0.111240940000000 ] mass: 207.200000 reduced_to: 3 - symbol: I # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.636980180000000 ] mass: 126.904470 reduced_to: 10 - symbol: I # 11 coordinates: [ 0.000000000000000, 0.000000000000000, 0.363019820000000 ] mass: 126.904470 reduced_to: 11 - symbol: I # 12 coordinates: [ 0.333333330000000, 0.666666670000000, 0.525737120000000 ] mass: 126.904470 reduced_to: 12 - symbol: I # 13 coordinates: [ 0.666666670000000, 0.333333330000000, 0.474262880000000 ] mass: 126.904470 reduced_to: 13 - symbol: I # 14 coordinates: [ 0.333333330000000, 0.666666670000000, 0.414904990000000 ] mass: 126.904470 reduced_to: 14 - symbol: I # 15 coordinates: [ 0.666666670000000, 0.333333330000000, 0.585095010000000 ] mass: 126.904470 reduced_to: 15 - symbol: I # 16 coordinates: [ 0.666666670000000, 0.333333330000000, 0.970313510000000 ] mass: 126.904470 reduced_to: 10 - symbol: I # 17 coordinates: [ 0.666666670000000, 0.333333330000000, 0.696353160000000 ] mass: 126.904470 reduced_to: 11 - symbol: I # 18 coordinates: [ 0.000000000000000, 0.000000000000000, 0.859070450000000 ] mass: 126.904470 reduced_to: 12 - symbol: I # 19 coordinates: [ 0.333333330000000, 0.666666670000000, 0.807596210000000 ] mass: 126.904470 reduced_to: 13 - symbol: I # 20 coordinates: [ 0.000000000000000, 0.000000000000000, 0.748238320000000 ] mass: 126.904470 reduced_to: 14 - symbol: I # 21 coordinates: [ 0.333333330000000, 0.666666670000000, 0.918428340000000 ] mass: 126.904470 reduced_to: 15 - symbol: I # 22 coordinates: [ 0.333333330000000, 0.666666670000000, 0.303646840000000 ] mass: 126.904470 reduced_to: 10 - symbol: I # 23 coordinates: [ 0.333333330000000, 0.666666670000000, 0.029686490000000 ] mass: 126.904470 reduced_to: 11 - symbol: I # 24 coordinates: [ 0.666666670000000, 0.333333330000000, 0.192403790000000 ] mass: 126.904470 reduced_to: 12 - symbol: I # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.140929550000000 ] mass: 126.904470 reduced_to: 13 - symbol: I # 26 coordinates: [ 0.666666670000000, 0.333333330000000, 0.081571660000000 ] mass: 126.904470 reduced_to: 14 - symbol: I # 27 coordinates: [ 0.000000000000000, 0.000000000000000, 0.251761680000000 ] mass: 126.904470 reduced_to: 15supercell: lattice: - [ 9.050764040000001, 0.000000000000000, 0.000000000000000 ] # a - [ -4.525382020000000, 7.838191600000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 62.934381369999997 ] # c points: - symbol: Pb # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.555425730000000 ] mass: 207.200000 reduced_to: 1 - symbol: Pb # 2 coordinates: [ 0.500000000000000, 0.000000000000000, 0.555425730000000 ] mass: 207.200000 reduced_to: 1 - symbol: Pb # 3 coordinates: [ 0.000000000000000, 0.500000000000000, 0.555425730000000 ] mass: 207.200000 reduced_to: 1 - symbol: Pb # 4 coordinates: [ 0.500000000000000, 0.500000000000000, 0.555425730000000 ] mass: 207.200000 reduced_to: 1 - symbol: Pb # 5 coordinates: [ 0.333333335000000, 0.166666665000000, 0.333333330000000 ] mass: 207.200000 reduced_to: 5 - symbol: Pb # 6 coordinates: [ 0.833333335000000, 0.166666665000000, 0.333333330000000 ] mass: 207.200000 reduced_to: 5 - symbol: Pb # 7 coordinates: [ 0.333333335000000, 0.666666665000000, 0.333333330000000 ] mass: 207.200000 reduced_to: 5 - symbol: Pb # 8 coordinates: [ 0.833333335000000, 0.666666665000000, 0.333333330000000 ] mass: 207.200000 reduced_to: 5 - symbol: Pb # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.444574270000000 ] mass: 207.200000 reduced_to: 9 - symbol: Pb # 10 coordinates: [ 0.500000000000000, 0.000000000000000, 0.444574270000000 ] mass: 207.200000 reduced_to: 9 - symbol: Pb # 11 coordinates: [ 0.000000000000000, 0.500000000000000, 0.444574270000000 ] mass: 207.200000 reduced_to: 9 - symbol: Pb # 12 coordinates: [ 0.500000000000000, 0.500000000000000, 0.444574270000000 ] mass: 207.200000 reduced_to: 9 - symbol: Pb # 13 coordinates: [ 0.333333335000000, 0.166666665000000, 0.888759060000000 ] mass: 207.200000 reduced_to: 1 - symbol: Pb # 14 coordinates: [ 0.833333335000000, 0.166666665000000, 0.888759060000000 ] mass: 207.200000 reduced_to: 1 - symbol: Pb # 15 coordinates: [ 0.333333335000000, 0.666666665000000, 0.888759060000000 ] mass: 207.200000 reduced_to: 1 - symbol: Pb # 16 coordinates: [ 0.833333335000000, 0.666666665000000, 0.888759060000000 ] mass: 207.200000 reduced_to: 1 - symbol: Pb # 17 coordinates: [ 0.166666665000000, 0.333333335000000, 0.666666670000000 ] mass: 207.200000 reduced_to: 5 - symbol: Pb # 18 coordinates: [ 0.666666665000000, 0.333333335000000, 0.666666670000000 ] mass: 207.200000 reduced_to: 5 - symbol: Pb # 19 coordinates: [ 0.166666665000000, 0.833333335000000, 0.666666670000000 ] mass: 207.200000 reduced_to: 5 - symbol: Pb # 20 coordinates: [ 0.666666665000000, 0.833333335000000, 0.666666670000000 ] mass: 207.200000 reduced_to: 5 - symbol: Pb # 21 coordinates: [ 0.333333335000000, 0.166666665000000, 0.777907600000000 ] mass: 207.200000 reduced_to: 9 - symbol: Pb # 22 coordinates: [ 0.833333335000000, 0.166666665000000, 0.777907600000000 ] mass: 207.200000 reduced_to: 9 - symbol: Pb # 23 coordinates: [ 0.333333335000000, 0.666666665000000, 0.777907600000000 ] mass: 207.200000 reduced_to: 9 - symbol: Pb # 24 coordinates: [ 0.833333335000000, 0.666666665000000, 0.777907600000000 ] mass: 207.200000 reduced_to: 9 - symbol: Pb # 25 coordinates: [ 0.166666665000000, 0.333333335000000, 0.222092400000000 ] mass: 207.200000 reduced_to: 1 - symbol: Pb # 26 coordinates: [ 0.666666665000000, 0.333333335000000, 0.222092400000000 ] mass: 207.200000 reduced_to: 1 - symbol: Pb # 27 coordinates: [ 0.166666665000000, 0.833333335000000, 0.222092400000000 ] mass: 207.200000 reduced_to: 1 - symbol: Pb # 28 coordinates: [ 0.666666665000000, 0.833333335000000, 0.222092400000000 ] mass: 207.200000 reduced_to: 1 - symbol: Pb # 29 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 207.200000 reduced_to: 5 - symbol: Pb # 30 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 207.200000 reduced_to: 5 - symbol: Pb # 31 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 207.200000 reduced_to: 5 - symbol: Pb # 32 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 207.200000 reduced_to: 5 - symbol: Pb # 33 coordinates: [ 0.166666665000000, 0.333333335000000, 0.111240940000000 ] mass: 207.200000 reduced_to: 9 - symbol: Pb # 34 coordinates: [ 0.666666665000000, 0.333333335000000, 0.111240940000000 ] mass: 207.200000 reduced_to: 9 - symbol: Pb # 35 coordinates: [ 0.166666665000000, 0.833333335000000, 0.111240940000000 ] mass: 207.200000 reduced_to: 9 - symbol: Pb # 36 coordinates: [ 0.666666665000000, 0.833333335000000, 0.111240940000000 ] mass: 207.200000 reduced_to: 9 - symbol: I # 37 coordinates: [ 0.000000000000000, 0.000000000000000, 0.636980180000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 38 coordinates: [ 0.500000000000000, 0.000000000000000, 0.636980180000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 39 coordinates: [ 0.000000000000000, 0.500000000000000, 0.636980180000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 40 coordinates: [ 0.500000000000000, 0.500000000000000, 0.636980180000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 41 coordinates: [ 0.000000000000000, 0.000000000000000, 0.363019820000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 42 coordinates: [ 0.500000000000000, 0.000000000000000, 0.363019820000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 43 coordinates: [ 0.000000000000000, 0.500000000000000, 0.363019820000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 44 coordinates: [ 0.500000000000000, 0.500000000000000, 0.363019820000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 45 coordinates: [ 0.166666665000000, 0.333333335000000, 0.525737120000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 46 coordinates: [ 0.666666665000000, 0.333333335000000, 0.525737120000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 47 coordinates: [ 0.166666665000000, 0.833333335000000, 0.525737120000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 48 coordinates: [ 0.666666665000000, 0.833333335000000, 0.525737120000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 49 coordinates: [ 0.333333335000000, 0.166666665000000, 0.474262880000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 50 coordinates: [ 0.833333335000000, 0.166666665000000, 0.474262880000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 51 coordinates: [ 0.333333335000000, 0.666666665000000, 0.474262880000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 52 coordinates: [ 0.833333335000000, 0.666666665000000, 0.474262880000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 53 coordinates: [ 0.166666665000000, 0.333333335000000, 0.414904990000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 54 coordinates: [ 0.666666665000000, 0.333333335000000, 0.414904990000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 55 coordinates: [ 0.166666665000000, 0.833333335000000, 0.414904990000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 56 coordinates: [ 0.666666665000000, 0.833333335000000, 0.414904990000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 57 coordinates: [ 0.333333335000000, 0.166666665000000, 0.585095010000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 58 coordinates: [ 0.833333335000000, 0.166666665000000, 0.585095010000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 59 coordinates: [ 0.333333335000000, 0.666666665000000, 0.585095010000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 60 coordinates: [ 0.833333335000000, 0.666666665000000, 0.585095010000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 61 coordinates: [ 0.333333335000000, 0.166666665000000, 0.970313510000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 62 coordinates: [ 0.833333335000000, 0.166666665000000, 0.970313510000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 63 coordinates: [ 0.333333335000000, 0.666666665000000, 0.970313510000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 64 coordinates: [ 0.833333335000000, 0.666666665000000, 0.970313510000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 65 coordinates: [ 0.333333335000000, 0.166666665000000, 0.696353160000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 66 coordinates: [ 0.833333335000000, 0.166666665000000, 0.696353160000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 67 coordinates: [ 0.333333335000000, 0.666666665000000, 0.696353160000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 68 coordinates: [ 0.833333335000000, 0.666666665000000, 0.696353160000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 69 coordinates: [ 0.000000000000000, 0.000000000000000, 0.859070450000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 70 coordinates: [ 0.500000000000000, 0.000000000000000, 0.859070450000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 71 coordinates: [ 0.000000000000000, 0.500000000000000, 0.859070450000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 72 coordinates: [ 0.500000000000000, 0.500000000000000, 0.859070450000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 73 coordinates: [ 0.166666665000000, 0.333333335000000, 0.807596210000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 74 coordinates: [ 0.666666665000000, 0.333333335000000, 0.807596210000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 75 coordinates: [ 0.166666665000000, 0.833333335000000, 0.807596210000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 76 coordinates: [ 0.666666665000000, 0.833333335000000, 0.807596210000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 77 coordinates: [ 0.000000000000000, 0.000000000000000, 0.748238320000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 78 coordinates: [ 0.500000000000000, 0.000000000000000, 0.748238320000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 79 coordinates: [ 0.000000000000000, 0.500000000000000, 0.748238320000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 80 coordinates: [ 0.500000000000000, 0.500000000000000, 0.748238320000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 81 coordinates: [ 0.166666665000000, 0.333333335000000, 0.918428340000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 82 coordinates: [ 0.666666665000000, 0.333333335000000, 0.918428340000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 83 coordinates: [ 0.166666665000000, 0.833333335000000, 0.918428340000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 84 coordinates: [ 0.666666665000000, 0.833333335000000, 0.918428340000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 85 coordinates: [ 0.166666665000000, 0.333333335000000, 0.303646840000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 86 coordinates: [ 0.666666665000000, 0.333333335000000, 0.303646840000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 87 coordinates: [ 0.166666665000000, 0.833333335000000, 0.303646840000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 88 coordinates: [ 0.666666665000000, 0.833333335000000, 0.303646840000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 89 coordinates: [ 0.166666665000000, 0.333333335000000, 0.029686490000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 90 coordinates: [ 0.666666665000000, 0.333333335000000, 0.029686490000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 91 coordinates: [ 0.166666665000000, 0.833333335000000, 0.029686490000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 92 coordinates: [ 0.666666665000000, 0.833333335000000, 0.029686490000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 93 coordinates: [ 0.333333335000000, 0.166666665000000, 0.192403790000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 94 coordinates: [ 0.833333335000000, 0.166666665000000, 0.192403790000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 95 coordinates: [ 0.333333335000000, 0.666666665000000, 0.192403790000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 96 coordinates: [ 0.833333335000000, 0.666666665000000, 0.192403790000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 97 coordinates: [ 0.000000000000000, 0.000000000000000, 0.140929550000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 98 coordinates: [ 0.500000000000000, 0.000000000000000, 0.140929550000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 99 coordinates: [ 0.000000000000000, 0.500000000000000, 0.140929550000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 100 coordinates: [ 0.500000000000000, 0.500000000000000, 0.140929550000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 101 coordinates: [ 0.333333335000000, 0.166666665000000, 0.081571660000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 102 coordinates: [ 0.833333335000000, 0.166666665000000, 0.081571660000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 103 coordinates: [ 0.333333335000000, 0.666666665000000, 0.081571660000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 104 coordinates: [ 0.833333335000000, 0.666666665000000, 0.081571660000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 105 coordinates: [ 0.000000000000000, 0.000000000000000, 0.251761680000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 106 coordinates: [ 0.500000000000000, 0.000000000000000, 0.251761680000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 107 coordinates: [ 0.000000000000000, 0.500000000000000, 0.251761680000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 108 coordinates: [ 0.500000000000000, 0.500000000000000, 0.251761680000000 ] mass: 126.904470 reduced_to: 57born_effective_charge:- # 1 (Pb) - [ 4.064603910000000, 0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, 4.064603910000000, 0.000000000000001 ] - [ -0.000000000000000, -0.000000000000000, 1.837907210000000 ]- # 2 (Pb) - [ 4.085599350000000, 0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, 4.085599350000000, 0.000000000000001 ] - [ -0.000000000000000, -0.000000000000000, 1.825219870000000 ]- # 3 (Pb) - [ 4.064603910000000, 0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, 4.064603910000000, 0.000000000000002 ] - [ -0.000000000000000, -0.000000000000000, 1.837907210000000 ]- # 4 (I) - [ -2.027076020000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -2.027076020000000, -0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.907914490000000 ]- # 5 (I) - [ -2.027076020000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -2.027076020000000, -0.000000000000001 ] - [ 0.000000000000000, 0.000000000000000, -0.907914490000000 ]- # 6 (I) - [ -2.030072560000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -2.030072560000000, -0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.908795850000000 ]- # 7 (I) - [ -2.030072560000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -2.030072560000000, -0.000000000000001 ] - [ 0.000000000000000, 0.000000000000000, -0.908795850000000 ]- # 8 (I) - [ -2.050255020000000, -0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -2.050255020000000, -0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.933806810000000 ]- # 9 (I) - [ -2.050255020000000, -0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -2.050255020000000, -0.000000000000001 ] - [ 0.000000000000000, 0.000000000000000, -0.933806810000000 ]dielectric_constant: - [ 7.034252880000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 7.034252880000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 5.247161000000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0318272800000000, -0.0000003900000000, -0.0004847100000000 ] - [ 0.0141504700000000, 0.0000006200000000, -0.0004669800000000 ] - [ 0.0003139300000000, -0.0079882100000000, 0.0046876100000000 ] - [ 0.0003133000000000, 0.0079878400000000, -0.0056201100000000 ] - [ -0.0000004100000000, 0.0000011400000000, -0.0000009500000000 ] - [ -0.0000002900000000, -0.0000011200000000, 0.0000016400000000 ] - [ 0.0000014300000000, 0.0000000600000000, 0.0000002400000000 ] - [ -0.0000023400000000, 0.0000000500000000, 0.0000002500000000 ] - [ -0.0000997600000000, 0.0000008400000000, 0.0004660500000000 ] - [ 0.0000958600000000, -0.0000010900000000, 0.0004675300000000 ] - [ 0.0000732000000000, -0.0000139400000000, 0.0006604800000000 ] - [ 0.0000696600000000, 0.0000142100000000, 0.0002719500000000 ] - [ -0.0000001600000000, 0.0000000300000000, -0.0004665000000000 ] - [ -0.0000005300000000, 0.0000001400000000, -0.0004664300000000 ] - [ 0.0000001500000000, 0.0000001500000000, -0.0004665400000000 ] - [ -0.0000002700000000, -0.0000001200000000, -0.0004663200000000 ] - [ -0.0003445800000000, 0.0000002300000000, -0.0000000400000000 ] - [ 0.0003033200000000, -0.0000002800000000, 0.0000001200000000 ] - [ 0.0000403100000000, -0.0002217800000000, -0.0002603700000000 ] - [ 0.0000389500000000, 0.0002219300000000, 0.0002615900000000 ] - [ -0.0000002000000000, 0.0000078800000000, 0.0004623300000000 ] - [ -0.0000005200000000, -0.0000078300000000, 0.0004711100000000 ] - [ 0.0000131400000000, 0.0000001500000000, 0.0004667300000000 ] - [ -0.0000139200000000, -0.0000001100000000, 0.0004666900000000 ] - [ 0.0000003000000000, -0.0000000900000000, -0.0004663400000000 ] - [ -0.0000002000000000, 0.0000003300000000, -0.0004664400000000 ] - [ -0.0000005400000000, 0.0000001800000000, -0.0004665400000000 ] - [ 0.0000001100000000, -0.0000004100000000, -0.0004664100000000 ] - [ -0.0000000900000000, 0.0000000400000000, 0.0000003300000000 ] - [ -0.0000005200000000, -0.0000000500000000, 0.0000001300000000 ] - [ -0.0000003500000000, -0.0000000100000000, 0.0000003200000000 ] - [ -0.0000005100000000, -0.0000000300000000, 0.0000004000000000 ] - [ -0.0000004000000000, -0.0000000700000000, 0.0004666900000000 ] - [ 0.0000003400000000, -0.0000001600000000, 0.0004669100000000 ] - [ -0.0000000600000000, -0.0000000300000000, 0.0004668800000000 ] - [ -0.0000003600000000, 0.0000001700000000, 0.0004668600000000 ] - [ -0.0000373900000000, 0.0000003700000000, 0.0031771900000000 ] - [ -0.0001129500000000, -0.0000002300000000, 0.0031784700000000 ] - [ 0.0000487800000000, 0.0000923300000000, 0.0035505200000000 ] - [ 0.0000482200000000, -0.0000940800000000, 0.0028037400000000 ] - [ -0.0000026300000000, 0.0000000900000000, -0.0031779000000000 ] - [ 0.0000030100000000, 0.0000001500000000, -0.0031777600000000 ] - [ 0.0000007100000000, -0.0000012500000000, -0.0031747500000000 ] - [ 0.0000008100000000, 0.0000013200000000, -0.0031806500000000 ] - [ 0.0015703100000000, -0.0000133400000000, 0.0036350500000000 ] - [ -0.0006003700000000, -0.0000030800000000, 0.0036202100000000 ] - [ 0.0040241000000000, -0.0014171700000000, -0.0046782500000000 ] - [ 0.0037904900000000, 0.0012818800000000, 0.0117272200000000 ] - [ 0.0000001700000000, -0.0000182800000000, -0.0035679300000000 ] - [ 0.0000003200000000, 0.0000175500000000, -0.0036712700000000 ] - [ -0.0003340700000000, 0.0000002300000000, -0.0036210700000000 ] - [ 0.0000312400000000, 0.0000006200000000, -0.0036176500000000 ] - [ 0.0001367300000000, -0.0000002000000000, 0.0028129100000000 ] - [ -0.0002090000000000, 0.0000001600000000, 0.0028121000000000 ] - [ -0.0000139400000000, 0.0000864400000000, 0.0027435600000000 ] - [ -0.0000130600000000, -0.0000870000000000, 0.0028816100000000 ] - [ 0.0039620500000000, 0.0014218800000000, 0.0054957900000000 ] - [ 0.0037277200000000, -0.0012847000000000, -0.0109283100000000 ] - [ -0.0006159000000000, 0.0000031500000000, -0.0028120300000000 ] - [ 0.0015014100000000, 0.0000132800000000, -0.0028270800000000 ] - [ -0.0000010000000000, -0.0000002000000000, 0.0031786700000000 ] - [ -0.0000010600000000, 0.0000000200000000, 0.0031778700000000 ] - [ -0.0000014400000000, -0.0000000700000000, 0.0031782100000000 ] - [ -0.0000008200000000, -0.0000000900000000, 0.0031782200000000 ] - [ 0.0000116700000000, 0.0001124300000000, -0.0030757700000000 ] - [ 0.0000111900000000, -0.0001126800000000, -0.0032800000000000 ] - [ 0.0001549300000000, 0.0000004800000000, -0.0031780500000000 ] - [ -0.0001835200000000, 0.0000000500000000, -0.0031779200000000 ] - [ -0.0000013600000000, -0.0000000400000000, 0.0036203600000000 ] - [ -0.0000008600000000, 0.0000000000000000, 0.0036201500000000 ] - [ -0.0000008400000000, -0.0000000100000000, 0.0036203600000000 ] - [ -0.0000007700000000, -0.0000001000000000, 0.0036200800000000 ] - [ -0.0000013300000000, 0.0000000800000000, -0.0036199500000000 ] - [ -0.0000005900000000, -0.0000000400000000, -0.0036198100000000 ] - [ -0.0000005200000000, -0.0000004300000000, -0.0036180800000000 ] - [ -0.0000006500000000, 0.0000003700000000, -0.0036218900000000 ] - [ -0.0000009500000000, -0.0000001300000000, 0.0028125100000000 ] - [ 0.0000016200000000, -0.0000001700000000, 0.0028126400000000 ] - [ 0.0000009100000000, -0.0000005500000000, 0.0028003100000000 ] - [ 0.0000008400000000, 0.0000003000000000, 0.0028249900000000 ] - [ -0.0000001200000000, 0.0000000900000000, -0.0028121400000000 ] - [ 0.0000000300000000, 0.0000000500000000, -0.0028121700000000 ] - [ -0.0000004600000000, 0.0000003200000000, -0.0028120400000000 ] - [ -0.0000005300000000, -0.0000001300000000, -0.0028122400000000 ] - [ 0.0000017800000000, -0.0000001600000000, 0.0031782200000000 ] - [ -0.0000039500000000, -0.0000000900000000, 0.0031783700000000 ] - [ -0.0000007100000000, 0.0000012400000000, 0.0031784500000000 ] - [ -0.0000005400000000, -0.0000015000000000, 0.0031779600000000 ] - [ 0.0000001300000000, 0.0000000800000000, -0.0031777800000000 ] - [ 0.0000001800000000, 0.0000000300000000, -0.0031778500000000 ] - [ 0.0000000800000000, 0.0000001500000000, -0.0031779500000000 ] - [ -0.0000000500000000, 0.0000000200000000, -0.0031778400000000 ] - [ -0.0000003500000000, -0.0000002500000000, 0.0036200400000000 ] - [ -0.0000003200000000, 0.0000001600000000, 0.0036202800000000 ] - [ 0.0000002500000000, 0.0000000400000000, 0.0036204400000000 ] - [ 0.0000000200000000, 0.0000000500000000, 0.0036202700000000 ] - [ -0.0000005700000000, 0.0000000400000000, -0.0036198000000000 ] - [ -0.0000014000000000, 0.0000000900000000, -0.0036199100000000 ] - [ -0.0000006600000000, 0.0000004300000000, -0.0036199100000000 ] - [ -0.0000006100000000, -0.0000004300000000, -0.0036199300000000 ] - [ -0.0000002300000000, -0.0000001100000000, 0.0028125900000000 ] - [ -0.0000002600000000, -0.0000000100000000, 0.0028124900000000 ] - [ 0.0000000000000000, -0.0000001400000000, 0.0028124000000000 ] - [ -0.0000001700000000, -0.0000001100000000, 0.0028126100000000 ] - [ -0.0000016100000000, 0.0000000500000000, -0.0028124200000000 ] - [ -0.0000012000000000, 0.0000000600000000, -0.0028124500000000 ] - [ -0.0000010700000000, 0.0000002400000000, -0.0028121500000000 ] - [ -0.0000010600000000, 0.0000001400000000, -0.0028123200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0327951700000000 ] - [ 0.0000000000000000, -0.0059506000000000, -0.0106655300000000 ] - [ 0.0051533700000000, 0.0029753000000000, -0.0106655300000000 ] - [ -0.0051533700000000, 0.0029753000000000, -0.0106655300000000 ] - [ -0.0000009100000000, -0.0000005300000000, 0.0002618100000000 ] - [ 0.0000009100000000, -0.0000005300000000, 0.0002618100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002634200000000 ] - [ 0.0000000000000000, 0.0000010600000000, 0.0002618100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006151700000000 ] - [ 0.0000000000000000, -0.0002265800000000, 0.0008248000000000 ] - [ 0.0001962200000000, 0.0001132900000000, 0.0008248000000000 ] - [ -0.0001962200000000, 0.0001132900000000, 0.0008248000000000 ] - [ -0.0000000200000000, -0.0000000100000000, -0.0002031400000000 ] - [ 0.0000000200000000, -0.0000000100000000, -0.0002031400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002030900000000 ] - [ 0.0000000000000000, 0.0000000200000000, -0.0002031400000000 ] - [ 0.0000000000000000, 0.0001051900000000, 0.0003071000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001715100000000 ] - [ 0.0000911000000000, -0.0000526000000000, 0.0003071000000000 ] - [ -0.0000911000000000, -0.0000526000000000, 0.0003071000000000 ] - [ -0.0000044800000000, -0.0000025900000000, 0.0007301100000000 ] - [ 0.0000044800000000, -0.0000025900000000, 0.0007301100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007324600000000 ] - [ 0.0000000000000000, 0.0000051800000000, 0.0007301100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002031300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002030300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002031300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002031300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002627300000000 ] - [ 0.0000000000000000, -0.0000000100000000, 0.0002614700000000 ] - [ 0.0000000100000000, 0.0000000100000000, 0.0002614700000000 ] - [ -0.0000000100000000, 0.0000000100000000, 0.0002614700000000 ] - [ 0.0000000000000000, -0.0000000200000000, 0.0007301200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007304900000000 ] - [ -0.0000000200000000, 0.0000000100000000, 0.0007301200000000 ] - [ 0.0000000200000000, 0.0000000100000000, 0.0007301200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031023900000000 ] - [ 0.0000000000000000, 0.0000245800000000, 0.0031328300000000 ] - [ -0.0000212900000000, -0.0000122900000000, 0.0031328300000000 ] - [ 0.0000212900000000, -0.0000122900000000, 0.0031328300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0033083500000000 ] - [ 0.0000000000000000, -0.0000012200000000, -0.0033051900000000 ] - [ 0.0000010600000000, 0.0000006100000000, -0.0033051900000000 ] - [ -0.0000010600000000, 0.0000006100000000, -0.0033051900000000 ] - [ 0.0000000000000000, -0.0036948300000000, 0.0134157900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0052089200000000 ] - [ -0.0031998200000000, 0.0018474200000000, 0.0134157900000000 ] - [ 0.0031998200000000, 0.0018474200000000, 0.0134157900000000 ] - [ 0.0000016400000000, 0.0000009500000000, -0.0035728900000000 ] - [ -0.0000016400000000, 0.0000009500000000, -0.0035728900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039973300000000 ] - [ 0.0000000000000000, -0.0000019000000000, -0.0035728900000000 ] - [ 0.0000000000000000, -0.0000898400000000, 0.0026836100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025901700000000 ] - [ -0.0000778100000000, 0.0000449200000000, 0.0026836100000000 ] - [ 0.0000778100000000, 0.0000449200000000, 0.0026836100000000 ] - [ 0.0033287400000000, 0.0019218500000000, 0.0070617900000000 ] - [ -0.0033287400000000, 0.0019218500000000, 0.0070617900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012207900000000 ] - [ 0.0000000000000000, -0.0038436900000000, 0.0070617900000000 ] - [ 0.0000004800000000, 0.0000002800000000, 0.0030465900000000 ] - [ -0.0000004800000000, 0.0000002800000000, 0.0030465900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030467700000000 ] - [ 0.0000000000000000, -0.0000005600000000, 0.0030465900000000 ] - [ -0.0000611400000000, -0.0000353000000000, -0.0032963300000000 ] - [ 0.0000611400000000, -0.0000353000000000, -0.0032963300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0033433000000000 ] - [ 0.0000000000000000, 0.0000705900000000, -0.0032963300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034871700000000 ] - [ 0.0000000000000000, -0.0000000500000000, 0.0034869000000000 ] - [ 0.0000000500000000, 0.0000000300000000, 0.0034869000000000 ] - [ -0.0000000500000000, 0.0000000300000000, 0.0034869000000000 ] - [ 0.0000000000000000, 0.0000003200000000, -0.0037493700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037491500000000 ] - [ 0.0000002800000000, -0.0000001600000000, -0.0037493700000000 ] - [ -0.0000002800000000, -0.0000001600000000, -0.0037493700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026837900000000 ] - [ 0.0000000000000000, -0.0000006300000000, 0.0026750100000000 ] - [ 0.0000005500000000, 0.0000003200000000, 0.0026750100000000 ] - [ -0.0000005500000000, 0.0000003200000000, 0.0026750100000000 ] - [ 0.0000000000000000, 0.0000001300000000, -0.0029439700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029429500000000 ] - [ 0.0000001100000000, -0.0000000700000000, -0.0029439700000000 ] - [ -0.0000001100000000, -0.0000000700000000, -0.0029439700000000 ] - [ 0.0000000000000000, -0.0000011700000000, 0.0030463700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030453600000000 ] - [ -0.0000010100000000, 0.0000005900000000, 0.0030463700000000 ] - [ 0.0000010100000000, 0.0000005900000000, 0.0030463700000000 ] - [ 0.0000000000000000, -0.0000001400000000, -0.0033076700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0033076000000000 ] - [ -0.0000001200000000, 0.0000000700000000, -0.0033076700000000 ] - [ 0.0000001200000000, 0.0000000700000000, -0.0033076700000000 ] - [ -0.0000001200000000, -0.0000000700000000, 0.0034867700000000 ] - [ 0.0000001200000000, -0.0000000700000000, 0.0034867700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034880600000000 ] - [ 0.0000000000000000, 0.0000001400000000, 0.0034867700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037487300000000 ] - [ 0.0000000000000000, 0.0000000400000000, -0.0037489400000000 ] - [ -0.0000000400000000, -0.0000000200000000, -0.0037489400000000 ] - [ 0.0000000400000000, -0.0000000200000000, -0.0037489400000000 ] - [ 0.0000001000000000, 0.0000000600000000, 0.0026755000000000 ] - [ -0.0000001000000000, 0.0000000600000000, 0.0026755000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026753400000000 ] - [ 0.0000000000000000, -0.0000001100000000, 0.0026755000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029438600000000 ] - [ 0.0000000000000000, -0.0000001100000000, -0.0029438900000000 ] - [ 0.0000000900000000, 0.0000000500000000, -0.0029438900000000 ] - [ -0.0000000900000000, 0.0000000500000000, -0.0029438900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0318936000000000 ] - [ 0.0000000000000000, 0.0059513000000000, 0.0097321500000000 ] - [ -0.0051539800000000, -0.0029756500000000, 0.0097321500000000 ] - [ 0.0051539800000000, -0.0029756500000000, 0.0097321500000000 ] - [ 0.0000009000000000, 0.0000005200000000, -0.0002619500000000 ] - [ -0.0000009000000000, 0.0000005200000000, -0.0002619500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002634800000000 ] - [ 0.0000000000000000, -0.0000010400000000, -0.0002619500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003139500000000 ] - [ 0.0000000000000000, 0.0002221600000000, 0.0001089600000000 ] - [ -0.0001923900000000, -0.0001110800000000, 0.0001089600000000 ] - [ 0.0001923900000000, -0.0001110800000000, 0.0001089600000000 ] - [ 0.0000000400000000, 0.0000000300000000, -0.0007306500000000 ] - [ -0.0000000400000000, 0.0000000300000000, -0.0007306500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007308000000000 ] - [ 0.0000000000000000, -0.0000000500000000, -0.0007306500000000 ] - [ 0.0000000000000000, -0.0001002900000000, -0.0003071100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001734900000000 ] - [ -0.0000868600000000, 0.0000501500000000, -0.0003071100000000 ] - [ 0.0000868600000000, 0.0000501500000000, -0.0003071100000000 ] - [ 0.0000044100000000, 0.0000025500000000, 0.0002032200000000 ] - [ -0.0000044100000000, 0.0000025500000000, 0.0002032200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002008700000000 ] - [ 0.0000000000000000, -0.0000051000000000, 0.0002032200000000 ] - [ 0.0000000000000000, -0.0000000400000000, -0.0007305800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007307600000000 ] - [ -0.0000000400000000, 0.0000000200000000, -0.0007305800000000 ] - [ 0.0000000400000000, 0.0000000200000000, -0.0007305800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002633600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002617500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002617500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002617500000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0002032600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002029600000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0002032600000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0002032600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032524900000000 ] - [ 0.0000000000000000, -0.0000258400000000, 0.0032273700000000 ] - [ 0.0000223700000000, 0.0000129200000000, 0.0032273700000000 ] - [ -0.0000223700000000, 0.0000129200000000, 0.0032273700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030497400000000 ] - [ 0.0000000000000000, 0.0000011900000000, -0.0030533100000000 ] - [ -0.0000010300000000, -0.0000005900000000, -0.0030533100000000 ] - [ 0.0000010300000000, -0.0000005900000000, -0.0030533100000000 ] - [ 0.0000000000000000, 0.0038829300000000, -0.0062842200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020312100000000 ] - [ 0.0033627200000000, -0.0019414700000000, -0.0062842200000000 ] - [ -0.0033627200000000, -0.0019414700000000, -0.0062842200000000 ] - [ -0.0000020200000000, -0.0000011700000000, -0.0036656400000000 ] - [ 0.0000020200000000, -0.0000011700000000, -0.0036656400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032492100000000 ] - [ 0.0000000000000000, 0.0000023300000000, -0.0036656400000000 ] - [ 0.0000000000000000, 0.0000894100000000, 0.0029395400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030316700000000 ] - [ 0.0000774300000000, -0.0000447100000000, 0.0029395400000000 ] - [ -0.0000774300000000, -0.0000447100000000, 0.0029395400000000 ] - [ -0.0031634000000000, -0.0018263900000000, -0.0125787700000000 ] - [ 0.0031634000000000, -0.0018263900000000, -0.0125787700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0044029200000000 ] - [ 0.0000000000000000, 0.0036527800000000, -0.0125787700000000 ] - [ -0.0000005400000000, -0.0000003100000000, 0.0033115800000000 ] - [ 0.0000005400000000, -0.0000003100000000, 0.0033115800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033114100000000 ] - [ 0.0000000000000000, 0.0000006300000000, 0.0033115800000000 ] - [ 0.0000610700000000, 0.0000352600000000, -0.0030623000000000 ] - [ -0.0000610700000000, 0.0000352600000000, -0.0030623000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030167700000000 ] - [ 0.0000000000000000, -0.0000705200000000, -0.0030623000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037524200000000 ] - [ 0.0000000000000000, 0.0000000100000000, 0.0037526000000000 ] - [ -0.0000000100000000, 0.0000000000000000, 0.0037526000000000 ] - [ 0.0000000100000000, 0.0000000000000000, 0.0037526000000000 ] - [ 0.0000000000000000, -0.0000003100000000, -0.0034909000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034909900000000 ] - [ -0.0000002700000000, 0.0000001600000000, -0.0034909000000000 ] - [ 0.0000002700000000, 0.0000001600000000, -0.0034909000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029400200000000 ] - [ 0.0000000000000000, 0.0000005500000000, 0.0029483900000000 ] - [ -0.0000004800000000, -0.0000002800000000, 0.0029483900000000 ] - [ 0.0000004800000000, -0.0000002800000000, 0.0029483900000000 ] - [ 0.0000000000000000, -0.0000000800000000, -0.0026795500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026806100000000 ] - [ -0.0000000700000000, 0.0000000400000000, -0.0026795500000000 ] - [ 0.0000000700000000, 0.0000000400000000, -0.0026795500000000 ] - [ 0.0000000000000000, 0.0000012000000000, 0.0033119100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033128300000000 ] - [ 0.0000010400000000, -0.0000006000000000, 0.0033119100000000 ] - [ -0.0000010400000000, -0.0000006000000000, 0.0033119100000000 ] - [ 0.0000000000000000, 0.0000000900000000, -0.0030509500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030510100000000 ] - [ 0.0000000800000000, -0.0000000400000000, -0.0030509500000000 ] - [ -0.0000000800000000, -0.0000000400000000, -0.0030509500000000 ] - [ 0.0000001300000000, 0.0000000800000000, 0.0037525700000000 ] - [ -0.0000001300000000, 0.0000000800000000, 0.0037525700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037513900000000 ] - [ 0.0000000000000000, -0.0000001500000000, 0.0037525700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034910600000000 ] - [ 0.0000000000000000, -0.0000000200000000, -0.0034912800000000 ] - [ 0.0000000200000000, 0.0000000100000000, -0.0034912800000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0034912800000000 ] - [ -0.0000000600000000, -0.0000000300000000, 0.0029475200000000 ] - [ 0.0000000600000000, -0.0000000300000000, 0.0029475200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029474900000000 ] - [ 0.0000000000000000, 0.0000000600000000, 0.0029475200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026794500000000 ] - [ 0.0000000000000000, 0.0000001200000000, -0.0026796600000000 ] - [ -0.0000001000000000, -0.0000000600000000, -0.0026796600000000 ] - [ 0.0000001000000000, -0.0000000600000000, -0.0026796600000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000001500000000, 0.0000012400000000, -0.0004676600000000 ] - [ -0.0000002200000000, -0.0000011800000000, -0.0004657500000000 ] - [ 0.0000018200000000, -0.0000000300000000, -0.0004667200000000 ] - [ -0.0000023100000000, 0.0000000000000000, -0.0004667600000000 ] - [ -0.0318405200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0141588500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0003176900000000, -0.0079904800000000, -0.0051861800000000 ] - [ 0.0003176900000000, 0.0079904800000000, 0.0051861800000000 ] - [ 0.0000379200000000, 0.0002220900000000, 0.0003778000000000 ] - [ 0.0000418300000000, -0.0002216000000000, 0.0005557400000000 ] - [ 0.0003033800000000, -0.0000014000000000, 0.0004672100000000 ] - [ -0.0003443500000000, 0.0000011200000000, 0.0004658100000000 ] - [ 0.0000007000000000, 0.0000000000000000, -0.0004669400000000 ] - [ 0.0000005000000000, 0.0000000700000000, -0.0004668400000000 ] - [ 0.0000005100000000, 0.0000000200000000, -0.0004668200000000 ] - [ 0.0000005500000000, 0.0000000200000000, -0.0004668900000000 ] - [ 0.0000004000000000, -0.0000000100000000, 0.0000000400000000 ] - [ 0.0000003600000000, -0.0000001000000000, -0.0000000600000000 ] - [ 0.0000003600000000, -0.0000000900000000, 0.0000000200000000 ] - [ 0.0000007700000000, -0.0000000600000000, -0.0000001000000000 ] - [ 0.0000007000000000, 0.0000000000000000, 0.0004669400000000 ] - [ 0.0000005000000000, -0.0000000700000000, 0.0004668400000000 ] - [ 0.0000005500000000, -0.0000000200000000, 0.0004668900000000 ] - [ 0.0000005100000000, -0.0000000200000000, 0.0004668200000000 ] - [ 0.0000379200000000, -0.0002220900000000, -0.0003778000000000 ] - [ 0.0000418300000000, 0.0002216000000000, -0.0005557400000000 ] - [ -0.0003443500000000, -0.0000011200000000, -0.0004658100000000 ] - [ 0.0003033800000000, 0.0000014000000000, -0.0004672100000000 ] - [ 0.0000004000000000, 0.0000000100000000, -0.0000000400000000 ] - [ 0.0000003600000000, 0.0000001000000000, 0.0000000600000000 ] - [ 0.0000007700000000, 0.0000000600000000, 0.0000001000000000 ] - [ 0.0000003600000000, 0.0000000900000000, -0.0000000200000000 ] - [ -0.0000001500000000, -0.0000012400000000, 0.0004676600000000 ] - [ -0.0000002200000000, 0.0000011800000000, 0.0004657500000000 ] - [ -0.0000023100000000, 0.0000000000000000, 0.0004667600000000 ] - [ 0.0000018200000000, 0.0000000300000000, 0.0004667200000000 ] - [ -0.0000003900000000, 0.0000000800000000, 0.0031812900000000 ] - [ -0.0000002900000000, -0.0000002000000000, 0.0031816800000000 ] - [ 0.0000000600000000, -0.0000001300000000, 0.0031814800000000 ] - [ -0.0000005400000000, -0.0000000500000000, 0.0031815800000000 ] - [ 0.0037880900000000, 0.0012859600000000, -0.0113062100000000 ] - [ 0.0040213000000000, -0.0014207600000000, 0.0051346500000000 ] - [ -0.0006081800000000, -0.0000029400000000, -0.0031813300000000 ] - [ 0.0015610800000000, -0.0000133400000000, -0.0031964300000000 ] - [ -0.0000007000000000, 0.0000002100000000, 0.0036245600000000 ] - [ -0.0000007300000000, -0.0000003000000000, 0.0036187700000000 ] - [ -0.0000002500000000, -0.0000001000000000, 0.0036216400000000 ] - [ 0.0000001300000000, -0.0000000700000000, 0.0036215700000000 ] - [ -0.0001008100000000, -0.0000001700000000, -0.0036211100000000 ] - [ 0.0000477300000000, 0.0000001500000000, -0.0036219700000000 ] - [ 0.0000026400000000, -0.0000259700000000, -0.0036585100000000 ] - [ 0.0000030200000000, 0.0000259400000000, -0.0035845300000000 ] - [ 0.0000098700000000, 0.0000180500000000, 0.0029199500000000 ] - [ 0.0000100000000000, -0.0000190900000000, 0.0027055300000000 ] - [ 0.0000421700000000, 0.0000002100000000, 0.0028107400000000 ] - [ -0.0002829500000000, 0.0000000000000000, 0.0028143900000000 ] - [ 0.0000012100000000, 0.0000001300000000, -0.0028130800000000 ] - [ -0.0000013300000000, 0.0000001600000000, -0.0028131200000000 ] - [ -0.0000011800000000, 0.0000001800000000, -0.0028133900000000 ] - [ -0.0000011600000000, 0.0000000200000000, -0.0028128900000000 ] - [ -0.0000015200000000, -0.0000001000000000, 0.0031815300000000 ] - [ 0.0000001000000000, -0.0000000700000000, 0.0031816300000000 ] - [ -0.0000002400000000, -0.0000002300000000, 0.0031816500000000 ] - [ -0.0000001500000000, 0.0000000700000000, 0.0031815400000000 ] - [ -0.0000015200000000, 0.0000001000000000, -0.0031815300000000 ] - [ 0.0000001000000000, 0.0000000700000000, -0.0031816300000000 ] - [ -0.0000001500000000, -0.0000000700000000, -0.0031815400000000 ] - [ -0.0000002400000000, 0.0000002300000000, -0.0031816500000000 ] - [ -0.0000005500000000, -0.0000000500000000, 0.0036214200000000 ] - [ -0.0000005400000000, 0.0000000500000000, 0.0036215400000000 ] - [ -0.0000003300000000, -0.0000000500000000, 0.0036215100000000 ] - [ -0.0000004600000000, -0.0000000600000000, 0.0036214200000000 ] - [ -0.0000005500000000, 0.0000000500000000, -0.0036214200000000 ] - [ -0.0000005400000000, -0.0000000500000000, -0.0036215400000000 ] - [ -0.0000004600000000, 0.0000000600000000, -0.0036214200000000 ] - [ -0.0000003300000000, 0.0000000500000000, -0.0036215100000000 ] - [ -0.0000009400000000, -0.0000002200000000, 0.0028126900000000 ] - [ -0.0000009700000000, 0.0000001100000000, 0.0028134600000000 ] - [ -0.0000014100000000, -0.0000001500000000, 0.0028131500000000 ] - [ -0.0000007000000000, -0.0000001700000000, 0.0028132000000000 ] - [ -0.0000009400000000, 0.0000002200000000, -0.0028126900000000 ] - [ -0.0000009700000000, -0.0000001100000000, -0.0028134600000000 ] - [ -0.0000007000000000, 0.0000001700000000, -0.0028132000000000 ] - [ -0.0000014100000000, 0.0000001500000000, -0.0028131500000000 ] - [ 0.0037880900000000, -0.0012859600000000, 0.0113062100000000 ] - [ 0.0040213000000000, 0.0014207600000000, -0.0051346500000000 ] - [ 0.0015610800000000, 0.0000133400000000, 0.0031964300000000 ] - [ -0.0006081800000000, 0.0000029400000000, 0.0031813300000000 ] - [ -0.0000003900000000, -0.0000000800000000, -0.0031812900000000 ] - [ -0.0000002900000000, 0.0000002000000000, -0.0031816800000000 ] - [ -0.0000005400000000, 0.0000000500000000, -0.0031815800000000 ] - [ 0.0000000600000000, 0.0000001300000000, -0.0031814800000000 ] - [ -0.0001008100000000, 0.0000001700000000, 0.0036211100000000 ] - [ 0.0000477300000000, -0.0000001500000000, 0.0036219700000000 ] - [ 0.0000030200000000, -0.0000259400000000, 0.0035845300000000 ] - [ 0.0000026400000000, 0.0000259700000000, 0.0036585100000000 ] - [ -0.0000007000000000, -0.0000002100000000, -0.0036245600000000 ] - [ -0.0000007300000000, 0.0000003000000000, -0.0036187700000000 ] - [ 0.0000001300000000, 0.0000000700000000, -0.0036215700000000 ] - [ -0.0000002500000000, 0.0000001000000000, -0.0036216400000000 ] - [ 0.0000012100000000, -0.0000001300000000, 0.0028130800000000 ] - [ -0.0000013300000000, -0.0000001600000000, 0.0028131200000000 ] - [ -0.0000011600000000, -0.0000000200000000, 0.0028128900000000 ] - [ -0.0000011800000000, -0.0000001800000000, 0.0028133900000000 ] - [ 0.0000098700000000, -0.0000180500000000, -0.0029199500000000 ] - [ 0.0000100000000000, 0.0000190900000000, -0.0027055300000000 ] - [ -0.0002829500000000, 0.0000000000000000, -0.0028143900000000 ] - [ 0.0000421700000000, -0.0000002100000000, -0.0028107400000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000010500000000, -0.0000006000000000, -0.0002043300000000 ] - [ 0.0000010500000000, -0.0000006000000000, -0.0002043300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002029100000000 ] - [ 0.0000000000000000, 0.0000012100000000, -0.0002043300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0322993000000000 ] - [ 0.0000000000000000, 0.0059886400000000, -0.0102569700000000 ] - [ -0.0051863200000000, -0.0029943200000000, -0.0102569700000000 ] - [ 0.0051863200000000, -0.0029943200000000, -0.0102569700000000 ] - [ 0.0002592500000000, 0.0001496800000000, 0.0007734000000000 ] - [ -0.0002592500000000, 0.0001496800000000, 0.0007734000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006405800000000 ] - [ 0.0000000000000000, -0.0002993500000000, 0.0007734000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002031100000000 ] - [ 0.0000000000000000, 0.0000001000000000, -0.0002045700000000 ] - [ -0.0000000900000000, -0.0000000500000000, -0.0002045700000000 ] - [ 0.0000000900000000, -0.0000000500000000, -0.0002045700000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0002600900000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0002600900000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0002600900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002600300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007300000000000 ] - [ 0.0000000000000000, -0.0000000100000000, 0.0007283600000000 ] - [ 0.0000000100000000, 0.0000000000000000, 0.0007283600000000 ] - [ -0.0000000100000000, 0.0000000000000000, 0.0007283600000000 ] - [ -0.0002625400000000, 0.0001515800000000, -0.0001584300000000 ] - [ 0.0002625400000000, 0.0001515800000000, -0.0001584300000000 ] - [ 0.0000000000000000, -0.0003031600000000, -0.0001584300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002947100000000 ] - [ 0.0000000300000000, 0.0000000200000000, 0.0002598200000000 ] - [ -0.0000000300000000, 0.0000000200000000, 0.0002598200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002602800000000 ] - [ 0.0000000000000000, -0.0000000300000000, 0.0002598200000000 ] - [ 0.0000012800000000, -0.0000007400000000, 0.0007285500000000 ] - [ -0.0000012800000000, -0.0000007400000000, 0.0007285500000000 ] - [ 0.0000000000000000, 0.0000014800000000, 0.0007285500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007301000000000 ] - [ -0.0000001600000000, -0.0000000900000000, 0.0030459600000000 ] - [ 0.0000001600000000, -0.0000000900000000, 0.0030459600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030456100000000 ] - [ 0.0000000000000000, 0.0000001800000000, 0.0030459600000000 ] - [ -0.0033278600000000, -0.0019213400000000, 0.0067490500000000 ] - [ 0.0033278600000000, -0.0019213400000000, 0.0067490500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015908900000000 ] - [ 0.0000000000000000, 0.0038426800000000, 0.0067490500000000 ] - [ -0.0000006200000000, 0.0000003600000000, 0.0034845600000000 ] - [ 0.0000006200000000, 0.0000003600000000, 0.0034845600000000 ] - [ 0.0000000000000000, -0.0000007100000000, 0.0034845600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034861200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038113000000000 ] - [ 0.0000000000000000, -0.0000063000000000, -0.0037273800000000 ] - [ 0.0000054500000000, 0.0000031500000000, -0.0037273800000000 ] - [ -0.0000054500000000, 0.0000031500000000, -0.0037273800000000 ] - [ 0.0000184000000000, -0.0000106200000000, 0.0028601500000000 ] - [ -0.0000184000000000, -0.0000106200000000, 0.0028601500000000 ] - [ 0.0000000000000000, 0.0000212500000000, 0.0028601500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024215100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029383800000000 ] - [ 0.0000000000000000, 0.0000006400000000, -0.0029395900000000 ] - [ -0.0000005500000000, -0.0000003200000000, -0.0029395900000000 ] - [ 0.0000005500000000, -0.0000003200000000, -0.0029395900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030441800000000 ] - [ 0.0000000000000000, 0.0000001500000000, 0.0030457900000000 ] - [ -0.0000001300000000, -0.0000000700000000, 0.0030457900000000 ] - [ 0.0000001300000000, -0.0000000700000000, 0.0030457900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0033053300000000 ] - [ 0.0000000000000000, -0.0000000400000000, -0.0033043100000000 ] - [ 0.0000000400000000, 0.0000000200000000, -0.0033043100000000 ] - [ -0.0000000400000000, 0.0000000200000000, -0.0033043100000000 ] - [ -0.0000000200000000, -0.0000000100000000, 0.0034842200000000 ] - [ 0.0000000200000000, -0.0000000100000000, 0.0034842200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034845400000000 ] - [ 0.0000000000000000, 0.0000000300000000, 0.0034842200000000 ] - [ 0.0000002000000000, -0.0000001200000000, -0.0037433400000000 ] - [ -0.0000002000000000, -0.0000001200000000, -0.0037433400000000 ] - [ 0.0000000000000000, 0.0000002300000000, -0.0037433400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037432300000000 ] - [ -0.0000004100000000, -0.0000002400000000, 0.0026723300000000 ] - [ 0.0000004100000000, -0.0000002400000000, 0.0026723300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026726500000000 ] - [ 0.0000000000000000, 0.0000004700000000, 0.0026723300000000 ] - [ 0.0000006400000000, -0.0000003700000000, -0.0029383700000000 ] - [ -0.0000006400000000, -0.0000003700000000, -0.0029383700000000 ] - [ 0.0000000000000000, 0.0000007300000000, -0.0029383700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029381300000000 ] - [ 0.0031649800000000, -0.0018273000000000, 0.0129916700000000 ] - [ -0.0031649800000000, -0.0018273000000000, 0.0129916700000000 ] - [ 0.0000000000000000, 0.0036546100000000, 0.0129916700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047603300000000 ] - [ 0.0000000800000000, -0.0000000500000000, -0.0033040000000000 ] - [ -0.0000000800000000, -0.0000000500000000, -0.0033040000000000 ] - [ 0.0000000000000000, 0.0000001000000000, -0.0033040000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0033041700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034155400000000 ] - [ 0.0000000000000000, -0.0000073200000000, 0.0035012300000000 ] - [ 0.0000063400000000, 0.0000036600000000, 0.0035012300000000 ] - [ -0.0000063400000000, 0.0000036600000000, 0.0035012300000000 ] - [ 0.0000005600000000, 0.0000003200000000, -0.0037440300000000 ] - [ -0.0000005600000000, 0.0000003200000000, -0.0037440300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037422200000000 ] - [ 0.0000000000000000, -0.0000006400000000, -0.0037440300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026730700000000 ] - [ 0.0000000000000000, 0.0000005000000000, 0.0026721400000000 ] - [ -0.0000004300000000, -0.0000002500000000, 0.0026721400000000 ] - [ 0.0000004300000000, -0.0000002500000000, 0.0026721400000000 ] - [ -0.0000181900000000, -0.0000105000000000, -0.0027500000000000 ] - [ 0.0000181900000000, -0.0000105000000000, -0.0027500000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031968700000000 ] - [ 0.0000000000000000, 0.0000210000000000, -0.0027500000000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000361100000000, -0.0000003500000000, -0.0004673500000000 ] - [ -0.0001120800000000, -0.0000000500000000, -0.0004668000000000 ] - [ 0.0000489400000000, 0.0000925700000000, -0.0004879400000000 ] - [ 0.0000486900000000, -0.0000931900000000, -0.0004443200000000 ] - [ 0.0000000500000000, -0.0000000900000000, -0.0000000600000000 ] - [ -0.0000000300000000, 0.0000000900000000, 0.0000000500000000 ] - [ 0.0000000800000000, 0.0000000700000000, -0.0000000600000000 ] - [ 0.0000001800000000, 0.0000000200000000, -0.0000000100000000 ] - [ -0.0000026700000000, 0.0000000300000000, 0.0004660200000000 ] - [ 0.0000026000000000, -0.0000000700000000, 0.0004660200000000 ] - [ -0.0000000600000000, -0.0000016300000000, 0.0004669700000000 ] - [ -0.0000001200000000, 0.0000015600000000, 0.0004648600000000 ] - [ 0.0000001100000000, -0.0000012800000000, -0.0004650000000000 ] - [ -0.0000001200000000, 0.0000013800000000, -0.0004673100000000 ] - [ -0.0000022000000000, 0.0000001800000000, -0.0004660200000000 ] - [ 0.0000022700000000, -0.0000000600000000, -0.0004660800000000 ] - [ 0.0015620000000000, 0.0000041800000000, 0.0000035400000000 ] - [ -0.0006075600000000, -0.0000007700000000, 0.0000002900000000 ] - [ 0.0039967000000000, -0.0014183700000000, 0.0033405600000000 ] - [ 0.0038119900000000, 0.0012869900000000, -0.0031520900000000 ] - [ 0.0000111800000000, 0.0001130400000000, 0.0004051400000000 ] - [ 0.0000117600000000, -0.0001123500000000, 0.0005269400000000 ] - [ 0.0001552700000000, -0.0000003000000000, 0.0004659100000000 ] - [ -0.0001837300000000, -0.0000003000000000, 0.0004657400000000 ] - [ 0.0000004300000000, -0.0000000800000000, -0.0004659900000000 ] - [ -0.0000000500000000, 0.0000000400000000, -0.0004661900000000 ] - [ 0.0000001300000000, 0.0000001200000000, -0.0004662800000000 ] - [ 0.0000003600000000, -0.0000001500000000, -0.0004660200000000 ] - [ 0.0000003700000000, 0.0000000700000000, -0.0000000200000000 ] - [ 0.0000000200000000, -0.0000000400000000, -0.0000001100000000 ] - [ 0.0000001200000000, -0.0000000900000000, -0.0000000100000000 ] - [ -0.0000000700000000, -0.0000000300000000, -0.0000000800000000 ] - [ -0.0000001000000000, -0.0000001300000000, 0.0004658200000000 ] - [ 0.0000000700000000, -0.0000000600000000, 0.0004659500000000 ] - [ 0.0000003100000000, -0.0000001600000000, 0.0004658100000000 ] - [ 0.0000001300000000, 0.0000001300000000, 0.0004660000000000 ] - [ -0.0200367500000000, 0.0001509000000000, 0.0029764700000000 ] - [ 0.0015799700000000, -0.0000054300000000, 0.0031819200000000 ] - [ 0.0000530000000000, -0.0008806400000000, 0.0025381500000000 ] - [ 0.0000514800000000, 0.0008835500000000, 0.0038083100000000 ] - [ 0.0000006300000000, 0.0000001700000000, -0.0031732300000000 ] - [ 0.0000000400000000, 0.0000001700000000, -0.0031731500000000 ] - [ -0.0000000600000000, 0.0000000500000000, -0.0031731700000000 ] - [ 0.0000000200000000, 0.0000001200000000, -0.0031732300000000 ] - [ -0.0000353000000000, 0.0000000500000000, 0.0036148300000000 ] - [ 0.0000382800000000, 0.0000000500000000, 0.0036145600000000 ] - [ 0.0000366300000000, -0.0000412200000000, 0.0036338900000000 ] - [ 0.0000366200000000, 0.0000418200000000, 0.0035955700000000 ] - [ 0.0000001100000000, -0.0000000500000000, -0.0036120600000000 ] - [ 0.0000002000000000, -0.0000000200000000, -0.0036173700000000 ] - [ 0.0000006700000000, 0.0000001300000000, -0.0036146000000000 ] - [ 0.0000002200000000, 0.0000000900000000, -0.0036147700000000 ] - [ 0.0000016900000000, -0.0000001100000000, 0.0028062100000000 ] - [ -0.0000003000000000, -0.0000001900000000, 0.0028061700000000 ] - [ 0.0000006800000000, 0.0000004100000000, 0.0028058500000000 ] - [ 0.0000006600000000, -0.0000007500000000, 0.0028066100000000 ] - [ 0.0004394800000000, 0.0002689500000000, -0.0033749500000000 ] - [ 0.0004340900000000, -0.0002626300000000, -0.0022500100000000 ] - [ -0.0000302100000000, 0.0000001600000000, -0.0028059000000000 ] - [ -0.0000235000000000, 0.0000008800000000, -0.0028056700000000 ] - [ -0.0000001000000000, 0.0000000500000000, 0.0031733800000000 ] - [ -0.0000001200000000, -0.0000001200000000, 0.0031733600000000 ] - [ 0.0000001300000000, -0.0000000300000000, 0.0031733400000000 ] - [ -0.0000002600000000, -0.0000000700000000, 0.0031732900000000 ] - [ 0.0003308300000000, 0.0007033400000000, -0.0027690500000000 ] - [ 0.0003310000000000, -0.0006970100000000, -0.0035698900000000 ] - [ 0.0088090100000000, -0.0000321400000000, -0.0031709300000000 ] - [ -0.0008817400000000, -0.0000006700000000, -0.0031733600000000 ] - [ 0.0000003300000000, -0.0000000800000000, 0.0036147600000000 ] - [ -0.0000001300000000, -0.0000000500000000, 0.0036146900000000 ] - [ -0.0000000600000000, -0.0000000300000000, 0.0036168900000000 ] - [ 0.0000000100000000, -0.0000000900000000, 0.0036125500000000 ] - [ -0.0000200900000000, 0.0000000600000000, -0.0036147100000000 ] - [ 0.0000213800000000, -0.0000000900000000, -0.0036146500000000 ] - [ 0.0000118700000000, -0.0000184100000000, -0.0035775500000000 ] - [ 0.0000115900000000, 0.0000184300000000, -0.0036515100000000 ] - [ -0.0000149000000000, -0.0000000900000000, 0.0028062200000000 ] - [ 0.0000320200000000, -0.0000004700000000, 0.0028054700000000 ] - [ 0.0000553800000000, 0.0000133700000000, 0.0026147000000000 ] - [ 0.0000554000000000, -0.0000136400000000, 0.0029980400000000 ] - [ 0.0000009000000000, 0.0000001600000000, -0.0028060100000000 ] - [ -0.0000002400000000, 0.0000001500000000, -0.0028062100000000 ] - [ 0.0000000400000000, 0.0000005700000000, -0.0028065700000000 ] - [ -0.0000000500000000, -0.0000005300000000, -0.0028057400000000 ] - [ 0.0000000600000000, -0.0000001600000000, 0.0031733600000000 ] - [ 0.0000001400000000, -0.0000001400000000, 0.0031734200000000 ] - [ 0.0000001100000000, -0.0000001200000000, 0.0031735200000000 ] - [ 0.0000000600000000, -0.0000002000000000, 0.0031732600000000 ] - [ 0.0000003700000000, 0.0000001400000000, -0.0031732200000000 ] - [ -0.0000001700000000, 0.0000000600000000, -0.0031732100000000 ] - [ 0.0000005300000000, -0.0000000300000000, -0.0031736600000000 ] - [ 0.0000005600000000, 0.0000001300000000, -0.0031728300000000 ] - [ 0.0000000500000000, 0.0000001700000000, 0.0036147200000000 ] - [ 0.0000000900000000, -0.0000001700000000, 0.0036147300000000 ] - [ 0.0000003700000000, 0.0000000600000000, 0.0036146900000000 ] - [ -0.0000003000000000, 0.0000000400000000, 0.0036148300000000 ] - [ -0.0000001100000000, 0.0000001300000000, -0.0036145400000000 ] - [ -0.0000001500000000, 0.0000000800000000, -0.0036145300000000 ] - [ -0.0000005700000000, -0.0000002900000000, -0.0036145600000000 ] - [ -0.0000005400000000, 0.0000002300000000, -0.0036144700000000 ] - [ -0.0000000400000000, -0.0000000200000000, 0.0028059900000000 ] - [ 0.0000000700000000, -0.0000001400000000, 0.0028063800000000 ] - [ 0.0000003700000000, -0.0000000900000000, 0.0028061000000000 ] - [ -0.0000002100000000, -0.0000001600000000, 0.0028061000000000 ] - [ 0.0000003900000000, 0.0000001000000000, -0.0028062500000000 ] - [ -0.0000004500000000, 0.0000001600000000, -0.0028062800000000 ] - [ -0.0000000100000000, 0.0000003600000000, -0.0028061600000000 ] - [ -0.0000000500000000, -0.0000001500000000, -0.0028062400000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0005412000000000 ] - [ 0.0000000000000000, -0.0004268900000000, -0.0005128900000000 ] - [ 0.0003696900000000, 0.0002134400000000, -0.0005128900000000 ] - [ -0.0003696900000000, 0.0002134400000000, -0.0005128900000000 ] - [ -0.0000001900000000, -0.0000001100000000, -0.0001287700000000 ] - [ 0.0000001900000000, -0.0000001100000000, -0.0001287700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001287600000000 ] - [ 0.0000000000000000, 0.0000002100000000, -0.0001287700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003364200000000 ] - [ 0.0000000000000000, -0.0000033300000000, 0.0003389000000000 ] - [ 0.0000028900000000, 0.0000016700000000, 0.0003389000000000 ] - [ -0.0000028900000000, 0.0000016700000000, 0.0003389000000000 ] - [ -0.0000001700000000, -0.0000001000000000, -0.0005971900000000 ] - [ 0.0000001700000000, -0.0000001000000000, -0.0005971900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005966700000000 ] - [ 0.0000000000000000, 0.0000002000000000, -0.0005971900000000 ] - [ 0.0000000000000000, 0.0096069400000000, 0.0099094700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015808700000000 ] - [ 0.0083198500000000, -0.0048034700000000, 0.0099094700000000 ] - [ -0.0083198500000000, -0.0048034700000000, 0.0099094700000000 ] - [ 0.0001022500000000, 0.0000590300000000, 0.0003480500000000 ] - [ -0.0001022500000000, 0.0000590300000000, 0.0003480500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003042900000000 ] - [ 0.0000000000000000, -0.0001180600000000, 0.0003480500000000 ] - [ 0.0000000000000000, -0.0000002000000000, -0.0005966400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005967800000000 ] - [ -0.0000001700000000, 0.0000001000000000, -0.0005966400000000 ] - [ 0.0000001700000000, 0.0000001000000000, -0.0005966400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001284100000000 ] - [ 0.0000000000000000, 0.0000000200000000, -0.0001287100000000 ] - [ -0.0000000200000000, -0.0000000100000000, -0.0001287100000000 ] - [ 0.0000000200000000, -0.0000000100000000, -0.0001287100000000 ] - [ 0.0000000000000000, 0.0000001900000000, 0.0003375500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003373000000000 ] - [ 0.0000001700000000, -0.0000001000000000, 0.0003375500000000 ] - [ -0.0000001700000000, -0.0000001000000000, 0.0003375500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0279677100000000 ] - [ 0.0000000000000000, 0.0007352100000000, 0.0016284600000000 ] - [ -0.0006367100000000, -0.0003676100000000, 0.0016284600000000 ] - [ 0.0006367100000000, -0.0003676100000000, 0.0016284600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031014300000000 ] - [ 0.0000000000000000, 0.0000001100000000, -0.0031015300000000 ] - [ -0.0000000900000000, -0.0000000500000000, -0.0031015300000000 ] - [ 0.0000000900000000, -0.0000000500000000, -0.0031015300000000 ] - [ 0.0000000000000000, 0.0000753500000000, 0.0036794700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036682300000000 ] - [ 0.0000652500000000, -0.0000376700000000, 0.0036794700000000 ] - [ -0.0000652500000000, -0.0000376700000000, 0.0036794700000000 ] - [ 0.0000011700000000, 0.0000006700000000, -0.0035425500000000 ] - [ -0.0000011700000000, 0.0000006700000000, -0.0035425500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035482700000000 ] - [ 0.0000000000000000, -0.0000013500000000, -0.0035425500000000 ] - [ 0.0000000000000000, -0.0000010500000000, 0.0028643200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028635300000000 ] - [ -0.0000009100000000, 0.0000005300000000, 0.0028643200000000 ] - [ 0.0000009100000000, 0.0000005300000000, 0.0028643200000000 ] - [ -0.0005509800000000, -0.0003181100000000, -0.0020722300000000 ] - [ 0.0005509800000000, -0.0003181100000000, -0.0020722300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029945400000000 ] - [ 0.0000000000000000, 0.0006362200000000, -0.0020722300000000 ] - [ -0.0000001100000000, -0.0000000600000000, 0.0032291600000000 ] - [ 0.0000001100000000, -0.0000000600000000, 0.0032291600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032294400000000 ] - [ 0.0000000000000000, 0.0000001200000000, 0.0032291600000000 ] - [ 0.0004047800000000, 0.0002337000000000, -0.0032812200000000 ] - [ -0.0004047800000000, 0.0002337000000000, -0.0032812200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004931600000000 ] - [ 0.0000000000000000, -0.0004674000000000, -0.0032812200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036712300000000 ] - [ 0.0000000000000000, -0.0000001800000000, 0.0036715600000000 ] - [ 0.0000001600000000, 0.0000000900000000, 0.0036715600000000 ] - [ -0.0000001600000000, 0.0000000900000000, 0.0036715600000000 ] - [ 0.0000000000000000, 0.0000014500000000, -0.0035363100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035633700000000 ] - [ 0.0000012500000000, -0.0000007200000000, -0.0035363100000000 ] - [ -0.0000012500000000, -0.0000007200000000, -0.0035363100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027584300000000 ] - [ 0.0000000000000000, 0.0000186900000000, 0.0029228100000000 ] - [ -0.0000161800000000, -0.0000093400000000, 0.0029228100000000 ] - [ 0.0000161800000000, -0.0000093400000000, 0.0029228100000000 ] - [ 0.0000000000000000, 0.0000001900000000, -0.0027331500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027320800000000 ] - [ 0.0000001700000000, -0.0000001000000000, -0.0027331500000000 ] - [ -0.0000001700000000, -0.0000001000000000, -0.0027331500000000 ] - [ 0.0000000000000000, -0.0000001800000000, 0.0032295600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032297200000000 ] - [ -0.0000001600000000, 0.0000000900000000, 0.0032295600000000 ] - [ 0.0000001600000000, 0.0000000900000000, 0.0032295600000000 ] - [ 0.0000000000000000, -0.0000004800000000, -0.0031014000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031019200000000 ] - [ -0.0000004200000000, 0.0000002400000000, -0.0031014000000000 ] - [ 0.0000004200000000, 0.0000002400000000, -0.0031014000000000 ] - [ 0.0000002200000000, 0.0000001300000000, 0.0036716200000000 ] - [ -0.0000002200000000, 0.0000001300000000, 0.0036716200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036711800000000 ] - [ 0.0000000000000000, -0.0000002500000000, 0.0036716200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035437200000000 ] - [ 0.0000000000000000, -0.0000001100000000, -0.0035442000000000 ] - [ 0.0000000900000000, 0.0000000500000000, -0.0035442000000000 ] - [ -0.0000000900000000, 0.0000000500000000, -0.0035442000000000 ] - [ -0.0000001300000000, -0.0000000700000000, 0.0028637300000000 ] - [ 0.0000001300000000, -0.0000000700000000, 0.0028637300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028643600000000 ] - [ 0.0000000000000000, 0.0000001500000000, 0.0028637300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027324300000000 ] - [ 0.0000000000000000, 0.0000003100000000, -0.0027327300000000 ] - [ -0.0000002700000000, -0.0000001600000000, -0.0027327300000000 ] - [ 0.0000002700000000, -0.0000001600000000, -0.0027327300000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003962700000000 ] - [ 0.0000000000000000, 0.0004353100000000, -0.0004222700000000 ] - [ -0.0003769900000000, -0.0002176600000000, -0.0004222700000000 ] - [ 0.0003769900000000, -0.0002176600000000, -0.0004222700000000 ] - [ -0.0000000200000000, -0.0000000100000000, 0.0001301400000000 ] - [ 0.0000000200000000, -0.0000000100000000, 0.0001301400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001301200000000 ] - [ 0.0000000000000000, 0.0000000300000000, 0.0001301400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005992500000000 ] - [ 0.0000000000000000, 0.0000035400000000, 0.0005965200000000 ] - [ -0.0000030700000000, -0.0000017700000000, 0.0005965200000000 ] - [ 0.0000030700000000, -0.0000017700000000, 0.0005965200000000 ] - [ -0.0000001100000000, -0.0000000700000000, -0.0003361700000000 ] - [ 0.0000001100000000, -0.0000000700000000, -0.0003361700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003362400000000 ] - [ 0.0000000000000000, 0.0000001300000000, -0.0003361700000000 ] - [ 0.0000000000000000, -0.0093750700000000, -0.0098296400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015889400000000 ] - [ -0.0081190500000000, 0.0046875400000000, -0.0098296400000000 ] - [ 0.0081190500000000, 0.0046875400000000, -0.0098296400000000 ] - [ -0.0001023300000000, -0.0000590800000000, 0.0005872900000000 ] - [ 0.0001023300000000, -0.0000590800000000, 0.0005872900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006313900000000 ] - [ 0.0000000000000000, 0.0001181600000000, 0.0005872900000000 ] - [ 0.0000000000000000, 0.0000002900000000, -0.0003361600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003360600000000 ] - [ 0.0000002500000000, -0.0000001500000000, -0.0003361600000000 ] - [ -0.0000002500000000, -0.0000001500000000, -0.0003361600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001300300000000 ] - [ 0.0000000000000000, -0.0000000500000000, 0.0001298900000000 ] - [ 0.0000000500000000, 0.0000000300000000, 0.0001298900000000 ] - [ -0.0000000500000000, 0.0000000300000000, 0.0001298900000000 ] - [ 0.0000000000000000, -0.0000002300000000, 0.0005979700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005979200000000 ] - [ -0.0000002000000000, 0.0000001200000000, 0.0005979700000000 ] - [ 0.0000002000000000, 0.0000001200000000, 0.0005979700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0340980300000000 ] - [ 0.0000000000000000, -0.0007314600000000, 0.0047210800000000 ] - [ 0.0006334600000000, 0.0003657300000000, 0.0047210800000000 ] - [ -0.0006334600000000, 0.0003657300000000, 0.0047210800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032471300000000 ] - [ 0.0000000000000000, -0.0000000600000000, -0.0032470200000000 ] - [ 0.0000000500000000, 0.0000000300000000, -0.0032470200000000 ] - [ -0.0000000500000000, 0.0000000300000000, -0.0032470200000000 ] - [ 0.0000000000000000, -0.0000774100000000, 0.0035514600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035629500000000 ] - [ -0.0000670400000000, 0.0000387100000000, 0.0035514600000000 ] - [ 0.0000670400000000, 0.0000387100000000, 0.0035514600000000 ] - [ -0.0000009900000000, -0.0000005700000000, -0.0036895000000000 ] - [ 0.0000009900000000, -0.0000005700000000, -0.0036895000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036830600000000 ] - [ 0.0000000000000000, 0.0000011400000000, -0.0036895000000000 ] - [ 0.0000000000000000, 0.0000013100000000, 0.0027484800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027488500000000 ] - [ 0.0000011300000000, -0.0000006500000000, 0.0027484800000000 ] - [ -0.0000011300000000, -0.0000006500000000, 0.0027484800000000 ] - [ 0.0005689000000000, 0.0003284500000000, -0.0035634100000000 ] - [ -0.0005689000000000, 0.0003284500000000, -0.0035634100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026144100000000 ] - [ 0.0000000000000000, -0.0006569000000000, -0.0035634100000000 ] - [ 0.0000000100000000, 0.0000000000000000, 0.0031182200000000 ] - [ -0.0000000100000000, 0.0000000000000000, 0.0031182200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031178400000000 ] - [ 0.0000000000000000, -0.0000000100000000, 0.0031182200000000 ] - [ -0.0003959700000000, -0.0002286100000000, -0.0030522300000000 ] - [ 0.0003959700000000, -0.0002286100000000, -0.0030522300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0058477800000000 ] - [ 0.0000000000000000, 0.0004572200000000, -0.0030522300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035603800000000 ] - [ 0.0000000000000000, 0.0000002600000000, 0.0035591400000000 ] - [ -0.0000002300000000, -0.0000001300000000, 0.0035591400000000 ] - [ 0.0000002300000000, -0.0000001300000000, 0.0035591400000000 ] - [ 0.0000000000000000, -0.0000016400000000, -0.0036957800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036689800000000 ] - [ -0.0000014200000000, 0.0000008200000000, -0.0036957800000000 ] - [ 0.0000014200000000, 0.0000008200000000, -0.0036957800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028547100000000 ] - [ 0.0000000000000000, -0.0000188900000000, 0.0026905900000000 ] - [ 0.0000163600000000, 0.0000094500000000, 0.0026905900000000 ] - [ -0.0000163600000000, 0.0000094500000000, 0.0026905900000000 ] - [ 0.0000000000000000, -0.0000002200000000, -0.0028809100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028821000000000 ] - [ -0.0000001900000000, 0.0000001100000000, -0.0028809100000000 ] - [ 0.0000001900000000, 0.0000001100000000, -0.0028809100000000 ] - [ 0.0000000000000000, 0.0000001100000000, 0.0031180700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031176000000000 ] - [ 0.0000001000000000, -0.0000000600000000, 0.0031180700000000 ] - [ -0.0000001000000000, -0.0000000600000000, 0.0031180700000000 ] - [ 0.0000000000000000, 0.0000003000000000, -0.0032474400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032465300000000 ] - [ 0.0000002600000000, -0.0000001500000000, -0.0032474400000000 ] - [ -0.0000002600000000, -0.0000001500000000, -0.0032474400000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0035589600000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0035589600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035596100000000 ] - [ 0.0000000000000000, 0.0000000300000000, 0.0035589600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036885300000000 ] - [ 0.0000000000000000, -0.0000000100000000, -0.0036877600000000 ] - [ 0.0000000100000000, 0.0000000100000000, -0.0036877600000000 ] - [ -0.0000000100000000, 0.0000000100000000, -0.0036877600000000 ] - [ 0.0000001000000000, 0.0000000600000000, 0.0027489800000000 ] - [ -0.0000001000000000, 0.0000000600000000, 0.0027489800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027479500000000 ] - [ 0.0000000000000000, -0.0000001200000000, 0.0027489800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028814600000000 ] - [ 0.0000000000000000, -0.0000001300000000, -0.0028815700000000 ] - [ 0.0000001100000000, 0.0000000700000000, -0.0028815700000000 ] - [ -0.0000001100000000, 0.0000000700000000, -0.0028815700000000 ]- atom: 45 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0015711900000000, -0.0000043300000000, -0.0004629900000000 ] - [ -0.0005999500000000, 0.0000007100000000, -0.0004663300000000 ] - [ 0.0038145000000000, -0.0012829800000000, -0.0036533400000000 ] - [ 0.0039989900000000, 0.0014145800000000, 0.0029087400000000 ] - [ -0.0000006500000000, -0.0000001700000000, -0.0000005600000000 ] - [ -0.0000006600000000, 0.0000002000000000, 0.0000004800000000 ] - [ -0.0000009700000000, 0.0000000500000000, -0.0000000500000000 ] - [ 0.0000004800000000, 0.0000000400000000, -0.0000000600000000 ] - [ 0.0000323400000000, -0.0000003800000000, 0.0004655900000000 ] - [ -0.0003321200000000, -0.0000000500000000, 0.0004656900000000 ] - [ 0.0000008800000000, 0.0000185100000000, 0.0004646400000000 ] - [ 0.0000007600000000, -0.0000178400000000, 0.0004676600000000 ] - [ 0.0000000000000000, 0.0000000800000000, -0.0004667800000000 ] - [ 0.0000000000000000, 0.0000000900000000, -0.0004665900000000 ] - [ 0.0000000500000000, 0.0000000600000000, -0.0004667500000000 ] - [ -0.0000000600000000, 0.0000000300000000, -0.0004666700000000 ] - [ -0.0001007400000000, -0.0000004100000000, 0.0000000000000000 ] - [ 0.0000486700000000, -0.0000001200000000, -0.0000000200000000 ] - [ 0.0000029000000000, -0.0000262500000000, 0.0000057600000000 ] - [ 0.0000030500000000, 0.0000264900000000, -0.0000060600000000 ] - [ -0.0000002000000000, -0.0000004500000000, 0.0004669400000000 ] - [ -0.0000001900000000, 0.0000004300000000, 0.0004662200000000 ] - [ -0.0000009000000000, 0.0000000300000000, 0.0004666100000000 ] - [ 0.0000008200000000, 0.0000000200000000, 0.0004665700000000 ] - [ 0.0000001000000000, -0.0000000300000000, -0.0004667100000000 ] - [ 0.0000004100000000, 0.0000000500000000, -0.0004667300000000 ] - [ 0.0000002200000000, -0.0000000600000000, -0.0004667400000000 ] - [ 0.0000002900000000, 0.0000000700000000, -0.0004667200000000 ] - [ -0.0000001000000000, 0.0000000200000000, -0.0000001000000000 ] - [ -0.0000001700000000, 0.0000000100000000, -0.0000000700000000 ] - [ 0.0000001000000000, -0.0000001100000000, -0.0000000600000000 ] - [ 0.0000000600000000, 0.0000000800000000, -0.0000001200000000 ] - [ -0.0000000700000000, -0.0000000500000000, 0.0004665300000000 ] - [ 0.0000000500000000, -0.0000000800000000, 0.0004665400000000 ] - [ 0.0000000600000000, -0.0000000400000000, 0.0004665900000000 ] - [ 0.0000000100000000, -0.0000000300000000, 0.0004664900000000 ] - [ -0.0000358500000000, -0.0000000700000000, 0.0031794600000000 ] - [ 0.0000376800000000, -0.0000001600000000, 0.0031793200000000 ] - [ 0.0000359200000000, -0.0000416200000000, 0.0032451300000000 ] - [ 0.0000362800000000, 0.0000414600000000, 0.0031130300000000 ] - [ 0.0000005700000000, 0.0000000900000000, -0.0031793200000000 ] - [ 0.0000010300000000, 0.0000001000000000, -0.0031793400000000 ] - [ 0.0000005000000000, 0.0000001200000000, -0.0031804300000000 ] - [ 0.0000005200000000, 0.0000000600000000, -0.0031782500000000 ] - [ -0.0201320300000000, -0.0001503800000000, 0.0034243800000000 ] - [ 0.0015620200000000, 0.0000045500000000, 0.0036294400000000 ] - [ 0.0000500900000000, -0.0008739900000000, 0.0042530000000000 ] - [ 0.0000517300000000, 0.0008709700000000, 0.0029882800000000 ] - [ 0.0005445400000000, -0.0003135300000000, -0.0042371500000000 ] - [ 0.0005384600000000, 0.0003079300000000, -0.0030182500000000 ] - [ 0.0000033300000000, -0.0000008800000000, -0.0036202100000000 ] - [ -0.0000119000000000, -0.0000000200000000, -0.0036204300000000 ] - [ 0.0000067400000000, -0.0000001500000000, 0.0028125100000000 ] - [ 0.0000351300000000, -0.0000003600000000, 0.0028125200000000 ] - [ 0.0000688400000000, 0.0000192900000000, 0.0028115800000000 ] - [ 0.0000691100000000, -0.0000197900000000, 0.0028134600000000 ] - [ 0.0003251000000000, -0.0007122700000000, -0.0024029500000000 ] - [ 0.0003253100000000, 0.0007064800000000, -0.0032136800000000 ] - [ -0.0009034900000000, 0.0000010300000000, -0.0028123300000000 ] - [ 0.0089272600000000, 0.0000327700000000, -0.0028098400000000 ] - [ -0.0000004800000000, -0.0000001900000000, 0.0031793400000000 ] - [ -0.0000004400000000, 0.0000000600000000, 0.0031794900000000 ] - [ -0.0000006900000000, -0.0000000500000000, 0.0031794000000000 ] - [ -0.0000000100000000, -0.0000000300000000, 0.0031794200000000 ] - [ 0.0000118900000000, -0.0000182500000000, -0.0031780800000000 ] - [ 0.0000120300000000, 0.0000185500000000, -0.0031807900000000 ] - [ -0.0000199100000000, 0.0000001600000000, -0.0031794100000000 ] - [ 0.0000217000000000, 0.0000001200000000, -0.0031794600000000 ] - [ 0.0000001200000000, -0.0000000300000000, 0.0036206300000000 ] - [ 0.0000004900000000, -0.0000000500000000, 0.0036207100000000 ] - [ 0.0000002800000000, -0.0000001100000000, 0.0036206800000000 ] - [ 0.0000002500000000, 0.0000000500000000, 0.0036206600000000 ] - [ -0.0000001400000000, 0.0000000100000000, -0.0036205200000000 ] - [ -0.0000003400000000, 0.0000000000000000, -0.0036205500000000 ] - [ -0.0000005100000000, -0.0000000900000000, -0.0036208200000000 ] - [ -0.0000005000000000, 0.0000001000000000, -0.0036202900000000 ] - [ 0.0000008100000000, -0.0000001200000000, 0.0028126000000000 ] - [ 0.0000005500000000, -0.0000001300000000, 0.0028125600000000 ] - [ 0.0000003000000000, 0.0000001700000000, 0.0028136900000000 ] - [ 0.0000002600000000, -0.0000004300000000, 0.0028114700000000 ] - [ 0.0000006200000000, 0.0000001200000000, -0.0028123500000000 ] - [ -0.0000004000000000, 0.0000000900000000, -0.0028123500000000 ] - [ -0.0000000500000000, 0.0000002800000000, -0.0028122700000000 ] - [ -0.0000000800000000, -0.0000001100000000, -0.0028124300000000 ] - [ -0.0000000800000000, -0.0000001300000000, 0.0031795600000000 ] - [ -0.0000004100000000, -0.0000001300000000, 0.0031795500000000 ] - [ -0.0000002600000000, -0.0000000300000000, 0.0031797100000000 ] - [ -0.0000002600000000, -0.0000001900000000, 0.0031794000000000 ] - [ 0.0000003400000000, 0.0000000200000000, -0.0031793300000000 ] - [ 0.0000001800000000, 0.0000000500000000, -0.0031792900000000 ] - [ -0.0000002600000000, -0.0000001600000000, -0.0031792600000000 ] - [ -0.0000002100000000, 0.0000003200000000, -0.0031793600000000 ] - [ 0.0000003000000000, -0.0000001400000000, 0.0036207500000000 ] - [ 0.0000002700000000, 0.0000001400000000, 0.0036206100000000 ] - [ 0.0000000500000000, 0.0000000000000000, 0.0036206300000000 ] - [ 0.0000003100000000, -0.0000000100000000, 0.0036206600000000 ] - [ -0.0000002400000000, 0.0000000200000000, -0.0036205700000000 ] - [ -0.0000005300000000, 0.0000000300000000, -0.0036205700000000 ] - [ -0.0000000400000000, -0.0000000700000000, -0.0036208600000000 ] - [ -0.0000000400000000, 0.0000001700000000, -0.0036202600000000 ] - [ -0.0000000400000000, -0.0000002500000000, 0.0028124200000000 ] - [ -0.0000000600000000, 0.0000000600000000, 0.0028124500000000 ] - [ -0.0000003200000000, -0.0000000800000000, 0.0028124700000000 ] - [ 0.0000002500000000, -0.0000000800000000, 0.0028124300000000 ] - [ -0.0000001400000000, 0.0000001400000000, -0.0028125000000000 ] - [ 0.0000002200000000, 0.0000001400000000, -0.0028124600000000 ] - [ -0.0000004100000000, 0.0000002900000000, -0.0028125100000000 ] - [ -0.0000004100000000, -0.0000000400000000, -0.0028125300000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0095866500000000, 0.0094249200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011205600000000 ] - [ -0.0083022900000000, 0.0047933300000000, 0.0094249200000000 ] - [ 0.0083022900000000, 0.0047933300000000, 0.0094249200000000 ] - [ 0.0000027400000000, -0.0000015800000000, -0.0001289600000000 ] - [ -0.0000027400000000, -0.0000015800000000, -0.0001289600000000 ] - [ 0.0000000000000000, 0.0000031600000000, -0.0001289600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001267400000000 ] - [ 0.0000000000000000, -0.0000588900000000, 0.0005083400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000955400000000 ] - [ -0.0000510000000000, 0.0000294400000000, 0.0005083400000000 ] - [ 0.0000510000000000, 0.0000294400000000, 0.0005083400000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0005959100000000 ] - [ 0.0000000200000000, 0.0000000100000000, -0.0005959100000000 ] - [ 0.0000000000000000, -0.0000000200000000, -0.0005959100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005961400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001973200000000 ] - [ 0.0000000000000000, 0.0000425700000000, -0.0001105300000000 ] - [ -0.0000368700000000, -0.0000212900000000, -0.0001105300000000 ] - [ 0.0000368700000000, -0.0000212900000000, -0.0001105300000000 ] - [ 0.0000021500000000, -0.0000012400000000, 0.0003357200000000 ] - [ -0.0000021500000000, -0.0000012400000000, 0.0003357200000000 ] - [ 0.0000000000000000, 0.0000024900000000, 0.0003357200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003371100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005950400000000 ] - [ 0.0000000000000000, -0.0000000500000000, -0.0005959800000000 ] - [ 0.0000000400000000, 0.0000000200000000, -0.0005959800000000 ] - [ -0.0000000400000000, 0.0000000200000000, -0.0005959800000000 ] - [ 0.0000000000000000, 0.0000000500000000, -0.0001288200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001291600000000 ] - [ 0.0000000400000000, -0.0000000200000000, -0.0001288200000000 ] - [ -0.0000000400000000, -0.0000000200000000, -0.0001288200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003364000000000 ] - [ 0.0000000000000000, -0.0000000600000000, 0.0003363700000000 ] - [ 0.0000000500000000, 0.0000000300000000, 0.0003363700000000 ] - [ -0.0000000500000000, 0.0000000300000000, 0.0003363700000000 ] - [ 0.0000000000000000, 0.0000221200000000, 0.0032468800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032369600000000 ] - [ 0.0000191500000000, -0.0000110600000000, 0.0032468800000000 ] - [ -0.0000191500000000, -0.0000110600000000, 0.0032468800000000 ] - [ 0.0000000000000000, -0.0000029200000000, -0.0031103400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031161700000000 ] - [ -0.0000025300000000, 0.0000014600000000, -0.0031103400000000 ] - [ 0.0000025300000000, 0.0000014600000000, -0.0031103400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0273879100000000 ] - [ 0.0000000000000000, -0.0007319800000000, 0.0020557800000000 ] - [ 0.0006339100000000, 0.0003659900000000, 0.0020557800000000 ] - [ -0.0006339100000000, 0.0003659900000000, 0.0020557800000000 ] - [ -0.0006003600000000, 0.0003466200000000, -0.0029278300000000 ] - [ 0.0006003600000000, 0.0003466200000000, -0.0029278300000000 ] - [ 0.0000000000000000, -0.0006932300000000, -0.0029278300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037261400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027910100000000 ] - [ 0.0000000000000000, -0.0002222800000000, 0.0029176000000000 ] - [ 0.0001925000000000, 0.0001111400000000, 0.0029176000000000 ] - [ -0.0001925000000000, 0.0001111400000000, 0.0029176000000000 ] - [ 0.0004233200000000, -0.0002444000000000, -0.0029116600000000 ] - [ -0.0004233200000000, -0.0002444000000000, -0.0029116600000000 ] - [ 0.0000000000000000, 0.0004888100000000, -0.0029116600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000897500000000 ] - [ -0.0000000300000000, 0.0000000200000000, 0.0032394600000000 ] - [ 0.0000000300000000, 0.0000000200000000, 0.0032394600000000 ] - [ 0.0000000000000000, -0.0000000300000000, 0.0032394600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032394500000000 ] - [ 0.0000369000000000, -0.0000213100000000, -0.0031042000000000 ] - [ -0.0000369000000000, -0.0000213100000000, -0.0031042000000000 ] - [ 0.0000000000000000, 0.0000426100000000, -0.0031042000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031308400000000 ] - [ 0.0000000000000000, 0.0000001000000000, 0.0036823300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036824200000000 ] - [ 0.0000000900000000, -0.0000000500000000, 0.0036823300000000 ] - [ -0.0000000900000000, -0.0000000500000000, 0.0036823300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035542400000000 ] - [ 0.0000000000000000, 0.0000001300000000, -0.0035544300000000 ] - [ -0.0000001100000000, -0.0000000600000000, -0.0035544300000000 ] - [ 0.0000001100000000, -0.0000000600000000, -0.0035544300000000 ] - [ 0.0000000000000000, -0.0000000600000000, 0.0028756200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028794000000000 ] - [ -0.0000000500000000, 0.0000000300000000, 0.0028756200000000 ] - [ 0.0000000500000000, 0.0000000300000000, 0.0028756200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027437100000000 ] - [ 0.0000000000000000, -0.0000000700000000, -0.0027444800000000 ] - [ 0.0000000600000000, 0.0000000300000000, -0.0027444800000000 ] - [ -0.0000000600000000, 0.0000000300000000, -0.0027444800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032387600000000 ] - [ 0.0000000000000000, -0.0000024000000000, 0.0032389900000000 ] - [ 0.0000020800000000, 0.0000012000000000, 0.0032389900000000 ] - [ -0.0000020800000000, 0.0000012000000000, 0.0032389900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031116300000000 ] - [ 0.0000000000000000, -0.0000000900000000, -0.0031123100000000 ] - [ 0.0000000800000000, 0.0000000400000000, -0.0031123100000000 ] - [ -0.0000000800000000, 0.0000000400000000, -0.0031123100000000 ] - [ 0.0000000500000000, -0.0000000300000000, 0.0036824500000000 ] - [ -0.0000000500000000, -0.0000000300000000, 0.0036824500000000 ] - [ 0.0000000000000000, 0.0000000600000000, 0.0036824500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036825600000000 ] - [ 0.0000000000000000, -0.0000003600000000, -0.0035539300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035546000000000 ] - [ -0.0000003200000000, 0.0000001800000000, -0.0035539300000000 ] - [ 0.0000003200000000, 0.0000001800000000, -0.0035539300000000 ] - [ -0.0000001400000000, 0.0000000800000000, 0.0028758500000000 ] - [ 0.0000001400000000, 0.0000000800000000, 0.0028758500000000 ] - [ 0.0000000000000000, -0.0000001600000000, 0.0028758500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028758200000000 ] - [ 0.0000000000000000, 0.0000000400000000, -0.0027448600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027448400000000 ] - [ 0.0000000400000000, -0.0000000200000000, -0.0027448600000000 ] - [ -0.0000000400000000, -0.0000000200000000, -0.0027448600000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0093549300000000, -0.0102784400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020622200000000 ] - [ 0.0081016100000000, -0.0046774600000000, -0.0102784400000000 ] - [ -0.0081016100000000, -0.0046774600000000, -0.0102784400000000 ] - [ -0.0000028000000000, 0.0000016200000000, 0.0001307700000000 ] - [ 0.0000028000000000, 0.0000016200000000, 0.0001307700000000 ] - [ 0.0000000000000000, -0.0000032400000000, 0.0001307700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001285700000000 ] - [ 0.0000000000000000, 0.0000595800000000, 0.0004216800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008441700000000 ] - [ 0.0000516000000000, -0.0000297900000000, 0.0004216800000000 ] - [ -0.0000516000000000, -0.0000297900000000, 0.0004216800000000 ] - [ 0.0000000400000000, -0.0000000200000000, -0.0003353200000000 ] - [ -0.0000000400000000, -0.0000000200000000, -0.0003353200000000 ] - [ 0.0000000000000000, 0.0000000400000000, -0.0003353200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003351500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001992800000000 ] - [ 0.0000000000000000, -0.0000428800000000, 0.0001120900000000 ] - [ 0.0000371400000000, 0.0000214400000000, 0.0001120900000000 ] - [ -0.0000371400000000, 0.0000214400000000, 0.0001120900000000 ] - [ -0.0000021700000000, 0.0000012500000000, 0.0005983300000000 ] - [ 0.0000021700000000, 0.0000012500000000, 0.0005983300000000 ] - [ 0.0000000000000000, -0.0000025000000000, 0.0005983300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005968600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003358700000000 ] - [ 0.0000000000000000, 0.0000000700000000, -0.0003353600000000 ] - [ -0.0000000600000000, -0.0000000400000000, -0.0003353600000000 ] - [ 0.0000000600000000, -0.0000000400000000, -0.0003353600000000 ] - [ 0.0000000000000000, -0.0000000400000000, 0.0001301700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001305500000000 ] - [ -0.0000000300000000, 0.0000000200000000, 0.0001301700000000 ] - [ 0.0000000300000000, 0.0000000200000000, 0.0001301700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005981200000000 ] - [ 0.0000000000000000, -0.0000000200000000, 0.0005979900000000 ] - [ 0.0000000200000000, 0.0000000100000000, 0.0005979900000000 ] - [ -0.0000000200000000, 0.0000000100000000, 0.0005979900000000 ] - [ 0.0000000000000000, -0.0000221900000000, 0.0031047200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031163100000000 ] - [ -0.0000192100000000, 0.0000110900000000, 0.0031047200000000 ] - [ 0.0000192100000000, 0.0000110900000000, 0.0031047200000000 ] - [ 0.0000000000000000, 0.0000030300000000, -0.0032422400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032363000000000 ] - [ 0.0000026300000000, -0.0000015200000000, -0.0032422400000000 ] - [ -0.0000026300000000, -0.0000015200000000, -0.0032422400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0343890600000000 ] - [ 0.0000000000000000, 0.0007284700000000, 0.0051837900000000 ] - [ -0.0006308700000000, -0.0003642300000000, 0.0051837900000000 ] - [ 0.0006308700000000, -0.0003642300000000, 0.0051837900000000 ] - [ 0.0006189000000000, -0.0003573200000000, -0.0043293100000000 ] - [ -0.0006189000000000, -0.0003573200000000, -0.0043293100000000 ] - [ 0.0000000000000000, 0.0007146500000000, -0.0043293100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035076500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028304800000000 ] - [ 0.0000000000000000, 0.0002266800000000, 0.0027006100000000 ] - [ -0.0001963100000000, -0.0001133400000000, 0.0027006100000000 ] - [ 0.0001963100000000, -0.0001133400000000, 0.0027006100000000 ] - [ -0.0004147900000000, 0.0002394800000000, -0.0026941100000000 ] - [ 0.0004147900000000, 0.0002394800000000, -0.0026941100000000 ] - [ 0.0000000000000000, -0.0004789600000000, -0.0026941100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0055236900000000 ] - [ 0.0000000900000000, -0.0000000500000000, 0.0031124200000000 ] - [ -0.0000000900000000, -0.0000000500000000, 0.0031124200000000 ] - [ 0.0000000000000000, 0.0000001000000000, 0.0031124200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031123100000000 ] - [ -0.0000370000000000, 0.0000213600000000, -0.0032491400000000 ] - [ 0.0000370000000000, 0.0000213600000000, -0.0032491400000000 ] - [ 0.0000000000000000, -0.0000427300000000, -0.0032491400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032221900000000 ] - [ 0.0000000000000000, 0.0000000300000000, 0.0035539600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035540300000000 ] - [ 0.0000000200000000, -0.0000000100000000, 0.0035539600000000 ] - [ -0.0000000200000000, -0.0000000100000000, 0.0035539600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036833300000000 ] - [ 0.0000000000000000, -0.0000001800000000, -0.0036831900000000 ] - [ 0.0000001600000000, 0.0000000900000000, -0.0036831900000000 ] - [ -0.0000001600000000, 0.0000000900000000, -0.0036831900000000 ] - [ 0.0000000000000000, 0.0000001100000000, 0.0027450600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027414400000000 ] - [ 0.0000000900000000, -0.0000000500000000, 0.0027450600000000 ] - [ -0.0000000900000000, -0.0000000500000000, 0.0027450600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028778800000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0028769000000000 ] - [ 0.0000000300000000, 0.0000000100000000, -0.0028769000000000 ] - [ -0.0000000300000000, 0.0000000100000000, -0.0028769000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031130100000000 ] - [ 0.0000000000000000, 0.0000024400000000, 0.0031127600000000 ] - [ -0.0000021100000000, -0.0000012200000000, 0.0031127600000000 ] - [ 0.0000021100000000, -0.0000012200000000, 0.0031127600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032414300000000 ] - [ 0.0000000000000000, 0.0000000200000000, -0.0032407800000000 ] - [ -0.0000000200000000, -0.0000000100000000, -0.0032407800000000 ] - [ 0.0000000200000000, -0.0000000100000000, -0.0032407800000000 ] - [ -0.0000000300000000, 0.0000000200000000, 0.0035540700000000 ] - [ 0.0000000300000000, 0.0000000200000000, 0.0035540700000000 ] - [ 0.0000000000000000, -0.0000000300000000, 0.0035540700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035537900000000 ] - [ 0.0000000000000000, 0.0000004300000000, -0.0036834300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036826100000000 ] - [ 0.0000003700000000, -0.0000002200000000, -0.0036834300000000 ] - [ -0.0000003700000000, -0.0000002200000000, -0.0036834300000000 ] - [ 0.0000000600000000, -0.0000000400000000, 0.0027442700000000 ] - [ -0.0000000600000000, -0.0000000400000000, 0.0027442700000000 ] - [ 0.0000000000000000, 0.0000000700000000, 0.0027442700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027442900000000 ] - [ 0.0000000000000000, 0.0000000400000000, -0.0028768600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028768100000000 ] - [ 0.0000000300000000, -0.0000000200000000, -0.0028768600000000 ] - [ -0.0000000300000000, -0.0000000200000000, -0.0028768600000000 ]- atom: 53 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001366100000000, -0.0000000900000000, -0.0004668400000000 ] - [ -0.0002085200000000, -0.0000006000000000, -0.0004667300000000 ] - [ -0.0000132000000000, 0.0000869200000000, -0.0005445300000000 ] - [ -0.0000136300000000, -0.0000863000000000, -0.0003889200000000 ] - [ 0.0000107700000000, 0.0000190400000000, 0.0000174200000000 ] - [ 0.0000097500000000, -0.0000187100000000, -0.0000186000000000 ] - [ 0.0000429200000000, 0.0000002600000000, -0.0000004100000000 ] - [ -0.0002814200000000, -0.0000015600000000, -0.0000009300000000 ] - [ 0.0015026200000000, -0.0000023500000000, 0.0004696600000000 ] - [ -0.0006148400000000, 0.0000007100000000, 0.0004673100000000 ] - [ 0.0037504000000000, -0.0012864700000000, -0.0026843500000000 ] - [ 0.0039392300000000, 0.0014187200000000, 0.0038073400000000 ] - [ 0.0000000200000000, -0.0000000800000000, -0.0004667700000000 ] - [ 0.0000001300000000, 0.0000001800000000, -0.0004666900000000 ] - [ -0.0000001200000000, 0.0000000300000000, -0.0004667900000000 ] - [ -0.0000001000000000, 0.0000000800000000, -0.0004666800000000 ] - [ 0.0000007600000000, -0.0000000200000000, -0.0000001900000000 ] - [ -0.0000004400000000, -0.0000000800000000, -0.0000002400000000 ] - [ -0.0000000400000000, 0.0000002200000000, -0.0000007600000000 ] - [ -0.0000001000000000, -0.0000002500000000, 0.0000002500000000 ] - [ 0.0000000500000000, 0.0000000400000000, 0.0004666900000000 ] - [ 0.0000000300000000, 0.0000000700000000, 0.0004667200000000 ] - [ 0.0000000500000000, -0.0000000300000000, 0.0004666500000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0004666600000000 ] - [ -0.0000007700000000, 0.0000000000000000, -0.0004667800000000 ] - [ 0.0000015400000000, -0.0000000500000000, -0.0004667200000000 ] - [ 0.0000002800000000, -0.0000007500000000, -0.0004662300000000 ] - [ 0.0000001800000000, 0.0000007200000000, -0.0004672400000000 ] - [ 0.0000001500000000, -0.0000000600000000, -0.0000000200000000 ] - [ 0.0000000500000000, 0.0000000200000000, -0.0000001100000000 ] - [ 0.0000000900000000, 0.0000000500000000, -0.0000000300000000 ] - [ 0.0000001600000000, -0.0000000100000000, -0.0000001800000000 ] - [ 0.0000000800000000, -0.0000000600000000, 0.0004666400000000 ] - [ 0.0000004100000000, -0.0000000300000000, 0.0004665600000000 ] - [ 0.0000002700000000, -0.0000001300000000, 0.0004666000000000 ] - [ 0.0000003800000000, 0.0000000200000000, 0.0004665500000000 ] - [ 0.0000013300000000, -0.0000001500000000, 0.0031793000000000 ] - [ -0.0000006600000000, 0.0000000300000000, 0.0031795100000000 ] - [ 0.0000000700000000, 0.0000005300000000, 0.0031785700000000 ] - [ 0.0000003500000000, -0.0000007900000000, 0.0031807100000000 ] - [ -0.0000230600000000, 0.0000023400000000, -0.0031767700000000 ] - [ -0.0000298100000000, 0.0000001800000000, -0.0031795300000000 ] - [ 0.0004343500000000, -0.0002629800000000, -0.0026254300000000 ] - [ 0.0004400700000000, 0.0002685500000000, -0.0037451500000000 ] - [ 0.0000067800000000, -0.0000000500000000, 0.0036215800000000 ] - [ 0.0000352900000000, 0.0000002800000000, 0.0036206200000000 ] - [ 0.0000691200000000, 0.0000193500000000, 0.0038161800000000 ] - [ 0.0000690500000000, -0.0000197000000000, 0.0034273500000000 ] - [ 0.0003252100000000, -0.0007124100000000, -0.0031981300000000 ] - [ 0.0003252400000000, 0.0007062700000000, -0.0040362900000000 ] - [ -0.0009034400000000, 0.0000006700000000, -0.0036217200000000 ] - [ 0.0089272300000000, 0.0000310700000000, -0.0036178500000000 ] - [ -0.0198009200000000, -0.0001653100000000, 0.0026064200000000 ] - [ 0.0015424100000000, 0.0000048900000000, 0.0028220500000000 ] - [ 0.0000519700000000, -0.0008621900000000, 0.0034708800000000 ] - [ 0.0000531700000000, 0.0008582500000000, 0.0021552500000000 ] - [ 0.0000263000000000, 0.0000203800000000, -0.0028477000000000 ] - [ 0.0000263800000000, -0.0000199100000000, -0.0027786000000000 ] - [ 0.0000611800000000, 0.0000002500000000, -0.0028133600000000 ] - [ -0.0000341700000000, 0.0000001200000000, -0.0028132100000000 ] - [ -0.0000002200000000, -0.0000001900000000, 0.0031794400000000 ] - [ -0.0000004400000000, 0.0000002500000000, 0.0031792700000000 ] - [ -0.0000006600000000, -0.0000000700000000, 0.0031797000000000 ] - [ -0.0000000800000000, -0.0000001800000000, 0.0031794400000000 ] - [ 0.0000002700000000, 0.0000007200000000, -0.0031794500000000 ] - [ 0.0000000800000000, -0.0000002800000000, -0.0031797400000000 ] - [ 0.0000011000000000, 0.0000001200000000, -0.0031792800000000 ] - [ -0.0000000200000000, -0.0000000200000000, -0.0031796800000000 ] - [ -0.0000000900000000, -0.0000000400000000, 0.0036213200000000 ] - [ 0.0000005800000000, -0.0000001000000000, 0.0036217000000000 ] - [ 0.0000001300000000, -0.0000000600000000, 0.0036216600000000 ] - [ -0.0000000700000000, 0.0000001200000000, 0.0036215100000000 ] - [ 0.0000006600000000, -0.0000000900000000, -0.0036210700000000 ] - [ -0.0000004000000000, -0.0000000100000000, -0.0036211900000000 ] - [ -0.0000000700000000, 0.0000002100000000, -0.0036210600000000 ] - [ 0.0000000000000000, -0.0000002100000000, -0.0036212400000000 ] - [ 0.0000002100000000, -0.0000001500000000, 0.0028138100000000 ] - [ 0.0000004900000000, -0.0000001400000000, 0.0028137000000000 ] - [ 0.0000003100000000, -0.0000001200000000, 0.0028136100000000 ] - [ 0.0000002900000000, -0.0000000500000000, 0.0028137000000000 ] - [ -0.0000000100000000, 0.0000001300000000, -0.0028132200000000 ] - [ -0.0000001100000000, 0.0000001000000000, -0.0028130400000000 ] - [ -0.0000005300000000, -0.0000001900000000, -0.0028131400000000 ] - [ -0.0000005500000000, 0.0000003400000000, -0.0028132400000000 ] - [ -0.0000151400000000, -0.0000001700000000, 0.0031793800000000 ] - [ 0.0000316700000000, 0.0000003400000000, 0.0031796400000000 ] - [ 0.0000550600000000, 0.0000136200000000, 0.0031634100000000 ] - [ 0.0000550500000000, -0.0000133800000000, 0.0031959100000000 ] - [ 0.0000007700000000, 0.0000001400000000, -0.0031792800000000 ] - [ -0.0000000700000000, 0.0000000600000000, -0.0031794200000000 ] - [ 0.0000004700000000, 0.0000001900000000, -0.0031789900000000 ] - [ 0.0000002600000000, -0.0000002400000000, -0.0031791400000000 ] - [ 0.0000003300000000, 0.0000003000000000, 0.0036215700000000 ] - [ 0.0000003300000000, -0.0000001700000000, 0.0036215300000000 ] - [ 0.0000007600000000, -0.0000000700000000, 0.0036212300000000 ] - [ 0.0000005100000000, -0.0000000700000000, 0.0036214500000000 ] - [ -0.0000001500000000, -0.0000000100000000, -0.0036213600000000 ] - [ 0.0000002500000000, -0.0000000500000000, -0.0036213200000000 ] - [ -0.0000003300000000, 0.0000001800000000, -0.0036212400000000 ] - [ -0.0000004100000000, -0.0000000400000000, -0.0036211500000000 ] - [ 0.0000003200000000, -0.0000002300000000, 0.0028136500000000 ] - [ 0.0000003100000000, -0.0000000400000000, 0.0028133900000000 ] - [ 0.0000001500000000, -0.0000000400000000, 0.0028137400000000 ] - [ 0.0000003700000000, -0.0000000200000000, 0.0028133800000000 ] - [ 0.0000004900000000, 0.0000001500000000, -0.0028131500000000 ] - [ 0.0000008600000000, 0.0000001600000000, -0.0028130100000000 ] - [ -0.0000000500000000, 0.0000003700000000, -0.0028146300000000 ] - [ 0.0000000800000000, -0.0000001600000000, -0.0028121300000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000798300000000, -0.0005910200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006820500000000 ] - [ -0.0000691300000000, 0.0000399100000000, -0.0005910200000000 ] - [ 0.0000691300000000, 0.0000399100000000, -0.0005910200000000 ] - [ 0.0001065200000000, -0.0000615000000000, 0.0000523100000000 ] - [ -0.0001065200000000, -0.0000615000000000, 0.0000523100000000 ] - [ 0.0000000000000000, 0.0001229900000000, 0.0000523100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003827300000000 ] - [ 0.0000000000000000, -0.0095974600000000, 0.0103241900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020518100000000 ] - [ -0.0083116500000000, 0.0047987300000000, 0.0103241900000000 ] - [ 0.0083116500000000, 0.0047987300000000, 0.0103241900000000 ] - [ -0.0000002000000000, 0.0000001200000000, -0.0005985900000000 ] - [ 0.0000002000000000, 0.0000001200000000, -0.0005985900000000 ] - [ 0.0000000000000000, -0.0000002400000000, -0.0005985900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005991000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001322100000000 ] - [ 0.0000000000000000, 0.0000002200000000, -0.0001325100000000 ] - [ -0.0000001900000000, -0.0000001100000000, -0.0001325100000000 ] - [ 0.0000001900000000, -0.0000001100000000, -0.0001325100000000 ] - [ -0.0000005000000000, 0.0000002900000000, 0.0003320900000000 ] - [ 0.0000005000000000, 0.0000002900000000, 0.0003320900000000 ] - [ 0.0000000000000000, -0.0000005800000000, 0.0003320900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003322300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005908900000000 ] - [ 0.0000000000000000, 0.0000137900000000, -0.0006003900000000 ] - [ -0.0000119400000000, -0.0000068900000000, -0.0006003900000000 ] - [ 0.0000119400000000, -0.0000068900000000, -0.0006003900000000 ] - [ 0.0000000000000000, 0.0000001100000000, -0.0001324600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001321000000000 ] - [ 0.0000000900000000, -0.0000000500000000, -0.0001324600000000 ] - [ -0.0000000900000000, -0.0000000500000000, -0.0001324600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003330000000000 ] - [ 0.0000000000000000, -0.0000002700000000, 0.0003322600000000 ] - [ 0.0000002300000000, 0.0000001300000000, 0.0003322600000000 ] - [ -0.0000002300000000, 0.0000001300000000, 0.0003322600000000 ] - [ 0.0000000000000000, -0.0000003000000000, 0.0032437500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032431900000000 ] - [ -0.0000002600000000, 0.0000001500000000, 0.0032437500000000 ] - [ 0.0000002600000000, 0.0000001500000000, 0.0032437500000000 ] - [ 0.0000000000000000, 0.0006397000000000, -0.0024499600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0033739100000000 ] - [ 0.0005540000000000, -0.0003198500000000, -0.0024499600000000 ] - [ -0.0005540000000000, -0.0003198500000000, -0.0024499600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036000300000000 ] - [ 0.0000000000000000, 0.0000011100000000, 0.0037286300000000 ] - [ -0.0000009600000000, -0.0000005600000000, 0.0037286300000000 ] - [ 0.0000009600000000, -0.0000005600000000, 0.0037286300000000 ] - [ 0.0004097400000000, -0.0002365700000000, -0.0037208700000000 ] - [ -0.0004097400000000, -0.0002365700000000, -0.0037208700000000 ] - [ 0.0000000000000000, 0.0004731300000000, -0.0037208700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008987300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0281708800000000 ] - [ 0.0000000000000000, -0.0007613600000000, 0.0012378500000000 ] - [ 0.0006593500000000, 0.0003806800000000, 0.0012378500000000 ] - [ -0.0006593500000000, 0.0003806800000000, 0.0012378500000000 ] - [ -0.0000344700000000, 0.0000199000000000, -0.0027241400000000 ] - [ 0.0000344700000000, 0.0000199000000000, -0.0027241400000000 ] - [ 0.0000000000000000, -0.0000398100000000, -0.0027241400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027584200000000 ] - [ -0.0000000700000000, 0.0000000400000000, 0.0032430600000000 ] - [ 0.0000000700000000, 0.0000000400000000, 0.0032430600000000 ] - [ 0.0000000000000000, -0.0000000800000000, 0.0032430600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032430400000000 ] - [ -0.0000005900000000, 0.0000003400000000, -0.0031118900000000 ] - [ 0.0000005900000000, 0.0000003400000000, -0.0031118900000000 ] - [ 0.0000000000000000, -0.0000006800000000, -0.0031118900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031107900000000 ] - [ 0.0000000000000000, -0.0000000100000000, 0.0036856800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036852800000000 ] - [ -0.0000000100000000, 0.0000000100000000, 0.0036856800000000 ] - [ 0.0000000100000000, 0.0000000100000000, 0.0036856800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035529400000000 ] - [ 0.0000000000000000, 0.0000000600000000, -0.0035538500000000 ] - [ -0.0000000500000000, -0.0000000300000000, -0.0035538500000000 ] - [ 0.0000000500000000, -0.0000000300000000, -0.0035538500000000 ] - [ 0.0000000000000000, -0.0000000800000000, 0.0028799700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028799400000000 ] - [ -0.0000000700000000, 0.0000000400000000, 0.0028799700000000 ] - [ 0.0000000700000000, 0.0000000400000000, 0.0028799700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027443000000000 ] - [ 0.0000000000000000, 0.0000001400000000, -0.0027448700000000 ] - [ -0.0000001200000000, -0.0000000700000000, -0.0027448700000000 ] - [ 0.0000001200000000, -0.0000000700000000, -0.0027448700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031380500000000 ] - [ 0.0000000000000000, 0.0002192100000000, 0.0033007900000000 ] - [ -0.0001898400000000, -0.0001096100000000, 0.0033007900000000 ] - [ 0.0001898400000000, -0.0001096100000000, 0.0033007900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031109700000000 ] - [ 0.0000000000000000, 0.0000000100000000, -0.0031113900000000 ] - [ -0.0000000100000000, 0.0000000000000000, -0.0031113900000000 ] - [ 0.0000000100000000, 0.0000000000000000, -0.0031113900000000 ] - [ 0.0000011600000000, -0.0000006700000000, 0.0036850100000000 ] - [ -0.0000011600000000, -0.0000006700000000, 0.0036850100000000 ] - [ 0.0000000000000000, 0.0000013400000000, 0.0036850100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036886800000000 ] - [ 0.0000000000000000, 0.0000000700000000, -0.0035541300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035539200000000 ] - [ 0.0000000600000000, -0.0000000300000000, -0.0035541300000000 ] - [ -0.0000000600000000, -0.0000000300000000, -0.0035541300000000 ] - [ -0.0000000600000000, 0.0000000300000000, 0.0028796700000000 ] - [ 0.0000000600000000, 0.0000000300000000, 0.0028796700000000 ] - [ 0.0000000000000000, -0.0000000700000000, 0.0028796700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028798100000000 ] - [ 0.0000000000000000, -0.0000015100000000, -0.0027498800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027291000000000 ] - [ -0.0000013100000000, 0.0000007500000000, -0.0027498800000000 ] - [ 0.0000013100000000, 0.0000007500000000, -0.0027498800000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000798100000000, -0.0003394800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002486800000000 ] - [ 0.0000691200000000, -0.0000399000000000, -0.0003394800000000 ] - [ -0.0000691200000000, -0.0000399000000000, -0.0003394800000000 ] - [ -0.0001071000000000, 0.0000618400000000, -0.0000549000000000 ] - [ 0.0001071000000000, 0.0000618400000000, -0.0000549000000000 ] - [ 0.0000000000000000, -0.0001236700000000, -0.0000549000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003895700000000 ] - [ 0.0000000000000000, 0.0093653400000000, -0.0093109500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011273400000000 ] - [ 0.0081106200000000, -0.0046826700000000, -0.0093109500000000 ] - [ -0.0081106200000000, -0.0046826700000000, -0.0093109500000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0003317200000000 ] - [ 0.0000000200000000, 0.0000000100000000, -0.0003317200000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0003317200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003315300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001340600000000 ] - [ 0.0000000000000000, -0.0000001500000000, 0.0001339000000000 ] - [ 0.0000001300000000, 0.0000000800000000, 0.0001339000000000 ] - [ -0.0000001300000000, 0.0000000800000000, 0.0001339000000000 ] - [ 0.0000001700000000, -0.0000001000000000, 0.0006010300000000 ] - [ -0.0000001700000000, -0.0000001000000000, 0.0006010300000000 ] - [ 0.0000000000000000, 0.0000002000000000, 0.0006010300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006012500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003397600000000 ] - [ 0.0000000000000000, -0.0000143300000000, -0.0003300400000000 ] - [ 0.0000124100000000, 0.0000071600000000, -0.0003300400000000 ] - [ -0.0000124100000000, 0.0000071600000000, -0.0003300400000000 ] - [ 0.0000000000000000, 0.0000000100000000, 0.0001337100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001338200000000 ] - [ 0.0000000100000000, 0.0000000000000000, 0.0001337100000000 ] - [ -0.0000000100000000, 0.0000000000000000, 0.0001337100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006004500000000 ] - [ 0.0000000000000000, 0.0000000900000000, 0.0006010400000000 ] - [ -0.0000000800000000, -0.0000000500000000, 0.0006010400000000 ] - [ 0.0000000800000000, -0.0000000500000000, 0.0006010400000000 ] - [ 0.0000000000000000, 0.0000004900000000, 0.0031093500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031099700000000 ] - [ 0.0000004300000000, -0.0000002500000000, 0.0031093500000000 ] - [ -0.0000004300000000, -0.0000002500000000, 0.0031093500000000 ] - [ 0.0000000000000000, -0.0006597300000000, -0.0039235800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029761600000000 ] - [ -0.0005713400000000, 0.0003298600000000, -0.0039235800000000 ] - [ 0.0005713400000000, 0.0003298600000000, -0.0039235800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036361700000000 ] - [ 0.0000000000000000, -0.0000007900000000, 0.0035076300000000 ] - [ 0.0000006800000000, 0.0000003900000000, 0.0035076300000000 ] - [ -0.0000006800000000, 0.0000003900000000, 0.0035076300000000 ] - [ -0.0004010600000000, 0.0002315500000000, -0.0035005800000000 ] - [ 0.0004010600000000, 0.0002315500000000, -0.0035005800000000 ] - [ 0.0000000000000000, -0.0004631100000000, -0.0035005800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0063302100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0335452900000000 ] - [ 0.0000000000000000, 0.0007580400000000, 0.0043867300000000 ] - [ -0.0006564900000000, -0.0003790200000000, 0.0043867300000000 ] - [ 0.0006564900000000, -0.0003790200000000, 0.0043867300000000 ] - [ 0.0000346800000000, -0.0000200200000000, -0.0028979700000000 ] - [ -0.0000346800000000, -0.0000200200000000, -0.0028979700000000 ] - [ 0.0000000000000000, 0.0000400500000000, -0.0028979700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028634000000000 ] - [ 0.0000001700000000, -0.0000001000000000, 0.0031097900000000 ] - [ -0.0000001700000000, -0.0000001000000000, 0.0031097900000000 ] - [ 0.0000000000000000, 0.0000002000000000, 0.0031097900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031098000000000 ] - [ 0.0000004100000000, -0.0000002400000000, -0.0032423700000000 ] - [ -0.0000004100000000, -0.0000002400000000, -0.0032423700000000 ] - [ 0.0000000000000000, 0.0000004700000000, -0.0032423700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032432100000000 ] - [ 0.0000000000000000, -0.0000001100000000, 0.0035504000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035504000000000 ] - [ -0.0000000900000000, 0.0000000500000000, 0.0035504000000000 ] - [ 0.0000000900000000, 0.0000000500000000, 0.0035504000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036841000000000 ] - [ 0.0000000000000000, -0.0000000100000000, -0.0036832100000000 ] - [ 0.0000000100000000, 0.0000000100000000, -0.0036832100000000 ] - [ -0.0000000100000000, 0.0000000100000000, -0.0036832100000000 ] - [ 0.0000000000000000, -0.0000000500000000, 0.0027413600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027412700000000 ] - [ -0.0000000500000000, 0.0000000300000000, 0.0027413600000000 ] - [ 0.0000000500000000, 0.0000000300000000, 0.0027413600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028776200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028770200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028770200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028770200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032165400000000 ] - [ 0.0000000000000000, -0.0002235100000000, 0.0030504600000000 ] - [ 0.0001935700000000, 0.0001117600000000, 0.0030504600000000 ] - [ -0.0001935700000000, 0.0001117600000000, 0.0030504600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032429400000000 ] - [ 0.0000000000000000, -0.0000001100000000, -0.0032425900000000 ] - [ 0.0000001000000000, 0.0000000600000000, -0.0032425900000000 ] - [ -0.0000001000000000, 0.0000000600000000, -0.0032425900000000 ] - [ -0.0000011400000000, 0.0000006600000000, 0.0035511800000000 ] - [ 0.0000011400000000, 0.0000006600000000, 0.0035511800000000 ] - [ 0.0000000000000000, -0.0000013200000000, 0.0035511800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035477000000000 ] - [ 0.0000000000000000, 0.0000000600000000, -0.0036831000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036831900000000 ] - [ 0.0000000500000000, -0.0000000300000000, -0.0036831000000000 ] - [ -0.0000000500000000, -0.0000000300000000, -0.0036831000000000 ] - [ -0.0000001100000000, 0.0000000600000000, 0.0027411900000000 ] - [ 0.0000001100000000, 0.0000000600000000, 0.0027411900000000 ] - [ 0.0000000000000000, -0.0000001200000000, 0.0027411900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027411300000000 ] - [ 0.0000000000000000, 0.0000014600000000, -0.0028721300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028936600000000 ] - [ 0.0000012700000000, -0.0000007300000000, -0.0028721300000000 ] - [ -0.0000012700000000, -0.0000007300000000, -0.0028721300000000 ]