# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/17943927-7a8c-42cf-b8e2-4bbf1396b206/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 Rb3Os2Br9 / P6_3/mmc (194) / materials id 30167](https://mdr.nims.go.jp/datasets/3e0889ec-d865-458c-8920-925b924d1df6) ## 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: "P6_3/mmc" number: 194 Hall_symbol: "-P 6c 2c"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 7.380306580000000, 0.000000000000000, 0.000000000000000 ] # a - [ -3.690153290000000, 6.391532990000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 18.059847789999999 ] # c points: - symbol: Br # 1 coordinates: [ 0.499469890000000, 0.500530110000000, 0.750000000000000 ] mass: 79.904000 - symbol: Br # 2 coordinates: [ 0.500530110000000, 0.001060220000000, 0.250000000000000 ] mass: 79.904000 - symbol: Br # 3 coordinates: [ 0.998939780000000, 0.499469890000000, 0.250000000000000 ] mass: 79.904000 - symbol: Br # 4 coordinates: [ 0.001060220000000, 0.500530110000000, 0.750000000000000 ] mass: 79.904000 - symbol: Br # 5 coordinates: [ 0.499469890000000, 0.998939780000000, 0.750000000000000 ] mass: 79.904000 - symbol: Br # 6 coordinates: [ 0.500530110000000, 0.499469890000000, 0.250000000000000 ] mass: 79.904000 - symbol: Br # 7 coordinates: [ 0.824674360000000, 0.649348730000000, 0.094870260000000 ] mass: 79.904000 - symbol: Br # 8 coordinates: [ 0.824674360000000, 0.175325640000000, 0.094870260000000 ] mass: 79.904000 - symbol: Br # 9 coordinates: [ 0.350651270000000, 0.175325640000000, 0.094870260000000 ] mass: 79.904000 - symbol: Br # 10 coordinates: [ 0.649348730000000, 0.824674360000000, 0.594870260000000 ] mass: 79.904000 - symbol: Br # 11 coordinates: [ 0.824674360000000, 0.175325640000000, 0.405129740000000 ] mass: 79.904000 - symbol: Br # 12 coordinates: [ 0.175325640000000, 0.350651270000000, 0.905129740000000 ] mass: 79.904000 - symbol: Br # 13 coordinates: [ 0.649348730000000, 0.824674360000000, 0.905129740000000 ] mass: 79.904000 - symbol: Br # 14 coordinates: [ 0.350651270000000, 0.175325640000000, 0.405129740000000 ] mass: 79.904000 - symbol: Br # 15 coordinates: [ 0.824674360000000, 0.649348730000000, 0.405129740000000 ] mass: 79.904000 - symbol: Br # 16 coordinates: [ 0.175325640000000, 0.824674360000000, 0.594870260000000 ] mass: 79.904000 - symbol: Br # 17 coordinates: [ 0.175325640000000, 0.350651270000000, 0.594870260000000 ] mass: 79.904000 - symbol: Br # 18 coordinates: [ 0.175325640000000, 0.824674360000000, 0.905129740000000 ] mass: 79.904000 - symbol: Rb # 19 coordinates: [ 0.333333330000000, 0.666666670000000, 0.435549040000000 ] mass: 85.467800 - symbol: Rb # 20 coordinates: [ 0.666666670000000, 0.333333330000000, 0.935549040000000 ] mass: 85.467800 - symbol: Rb # 21 coordinates: [ 0.666666670000000, 0.333333330000000, 0.564450960000000 ] mass: 85.467800 - symbol: Rb # 22 coordinates: [ 0.333333330000000, 0.666666670000000, 0.064450960000000 ] mass: 85.467800 - symbol: Rb # 23 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 85.467800 - symbol: Rb # 24 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 85.467800 - symbol: Os # 25 coordinates: [ 0.666666670000000, 0.333333330000000, 0.175460910000000 ] mass: 190.230000 - symbol: Os # 26 coordinates: [ 0.333333330000000, 0.666666670000000, 0.675460910000000 ] mass: 190.230000 - symbol: Os # 27 coordinates: [ 0.333333330000000, 0.666666670000000, 0.824539090000000 ] mass: 190.230000 - symbol: Os # 28 coordinates: [ 0.666666670000000, 0.333333330000000, 0.324539090000000 ] mass: 190.230000 reciprocal_lattice: # without 2pi - [ 0.135495726249356, 0.078228493975121, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.156456987950241, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.055371452275125 ] # c*unit_cell: lattice: - [ 7.380306580000000, 0.000000000000000, -0.000000000000000 ] # a - [ -3.690153290000000, 6.391532990000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 18.059847789999999 ] # c points: - symbol: Br # 1 coordinates: [ 0.499469890000000, 0.500530110000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 1 - symbol: Br # 2 coordinates: [ 0.500530110000000, 0.001060220000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 2 - symbol: Br # 3 coordinates: [ 0.998939780000000, 0.499469890000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 3 - symbol: Br # 4 coordinates: [ 0.001060220000000, 0.500530110000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 4 - symbol: Br # 5 coordinates: [ 0.499469890000000, 0.998939780000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 5 - symbol: Br # 6 coordinates: [ 0.500530110000000, 0.499469890000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 6 - symbol: Br # 7 coordinates: [ 0.824674360000000, 0.649348730000000, 0.094870260000000 ] mass: 79.904000 reduced_to: 7 - symbol: Br # 8 coordinates: [ 0.824674360000000, 0.175325640000000, 0.094870260000000 ] mass: 79.904000 reduced_to: 8 - symbol: Br # 9 coordinates: [ 0.350651270000000, 0.175325640000000, 0.094870260000000 ] mass: 79.904000 reduced_to: 9 - symbol: Br # 10 coordinates: [ 0.649348730000000, 0.824674360000000, 0.594870260000000 ] mass: 79.904000 reduced_to: 10 - symbol: Br # 11 coordinates: [ 0.824674360000000, 0.175325640000000, 0.405129740000000 ] mass: 79.904000 reduced_to: 11 - symbol: Br # 12 coordinates: [ 0.175325640000000, 0.350651270000000, 0.905129740000000 ] mass: 79.904000 reduced_to: 12 - symbol: Br # 13 coordinates: [ 0.649348730000000, 0.824674360000000, 0.905129740000000 ] mass: 79.904000 reduced_to: 13 - symbol: Br # 14 coordinates: [ 0.350651270000000, 0.175325640000000, 0.405129740000000 ] mass: 79.904000 reduced_to: 14 - symbol: Br # 15 coordinates: [ 0.824674360000000, 0.649348730000000, 0.405129740000000 ] mass: 79.904000 reduced_to: 15 - symbol: Br # 16 coordinates: [ 0.175325640000000, 0.824674360000000, 0.594870260000000 ] mass: 79.904000 reduced_to: 16 - symbol: Br # 17 coordinates: [ 0.175325640000000, 0.350651270000000, 0.594870260000000 ] mass: 79.904000 reduced_to: 17 - symbol: Br # 18 coordinates: [ 0.175325640000000, 0.824674360000000, 0.905129740000000 ] mass: 79.904000 reduced_to: 18 - symbol: Rb # 19 coordinates: [ 0.333333330000000, 0.666666670000000, 0.435549040000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 20 coordinates: [ 0.666666670000000, 0.333333330000000, 0.935549040000000 ] mass: 85.467800 reduced_to: 20 - symbol: Rb # 21 coordinates: [ 0.666666670000000, 0.333333330000000, 0.564450960000000 ] mass: 85.467800 reduced_to: 21 - symbol: Rb # 22 coordinates: [ 0.333333330000000, 0.666666670000000, 0.064450960000000 ] mass: 85.467800 reduced_to: 22 - symbol: Rb # 23 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 85.467800 reduced_to: 23 - symbol: Rb # 24 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 85.467800 reduced_to: 24 - symbol: Os # 25 coordinates: [ 0.666666670000000, 0.333333330000000, 0.175460910000000 ] mass: 190.230000 reduced_to: 25 - symbol: Os # 26 coordinates: [ 0.333333330000000, 0.666666670000000, 0.675460910000000 ] mass: 190.230000 reduced_to: 26 - symbol: Os # 27 coordinates: [ 0.333333330000000, 0.666666670000000, 0.824539090000000 ] mass: 190.230000 reduced_to: 27 - symbol: Os # 28 coordinates: [ 0.666666670000000, 0.333333330000000, 0.324539090000000 ] mass: 190.230000 reduced_to: 28supercell: lattice: - [ 14.760613160000000, 0.000000000000000, 0.000000000000000 ] # a - [ -7.380306580000000, 12.783065980000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 18.059847789999999 ] # c points: - symbol: Br # 1 coordinates: [ 0.249734945000000, 0.250265055000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 1 - symbol: Br # 2 coordinates: [ 0.749734945000000, 0.250265055000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 1 - symbol: Br # 3 coordinates: [ 0.249734945000000, 0.750265055000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 1 - symbol: Br # 4 coordinates: [ 0.749734945000000, 0.750265055000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 1 - symbol: Br # 5 coordinates: [ 0.250265055000000, 0.000530110000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 5 - symbol: Br # 6 coordinates: [ 0.750265055000000, 0.000530110000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 5 - symbol: Br # 7 coordinates: [ 0.250265055000000, 0.500530110000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 5 - symbol: Br # 8 coordinates: [ 0.750265055000000, 0.500530110000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 5 - symbol: Br # 9 coordinates: [ 0.499469890000000, 0.249734945000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 9 - symbol: Br # 10 coordinates: [ 0.999469890000000, 0.249734945000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 9 - symbol: Br # 11 coordinates: [ 0.499469890000000, 0.749734945000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 9 - symbol: Br # 12 coordinates: [ 0.999469890000000, 0.749734945000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 9 - symbol: Br # 13 coordinates: [ 0.000530110000000, 0.250265055000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 13 - symbol: Br # 14 coordinates: [ 0.500530110000000, 0.250265055000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 13 - symbol: Br # 15 coordinates: [ 0.000530110000000, 0.750265055000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 13 - symbol: Br # 16 coordinates: [ 0.500530110000000, 0.750265055000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 13 - symbol: Br # 17 coordinates: [ 0.249734945000000, 0.499469890000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 17 - symbol: Br # 18 coordinates: [ 0.749734945000000, 0.499469890000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 17 - symbol: Br # 19 coordinates: [ 0.249734945000000, 0.999469890000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 17 - symbol: Br # 20 coordinates: [ 0.749734945000000, 0.999469890000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 17 - symbol: Br # 21 coordinates: [ 0.250265055000000, 0.249734945000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 21 - symbol: Br # 22 coordinates: [ 0.750265055000000, 0.249734945000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 21 - symbol: Br # 23 coordinates: [ 0.250265055000000, 0.749734945000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 21 - symbol: Br # 24 coordinates: [ 0.750265055000000, 0.749734945000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 21 - symbol: Br # 25 coordinates: [ 0.412337180000000, 0.324674365000000, 0.094870260000000 ] mass: 79.904000 reduced_to: 25 - symbol: Br # 26 coordinates: [ 0.912337180000000, 0.324674365000000, 0.094870260000000 ] mass: 79.904000 reduced_to: 25 - symbol: Br # 27 coordinates: [ 0.412337180000000, 0.824674365000000, 0.094870260000000 ] mass: 79.904000 reduced_to: 25 - symbol: Br # 28 coordinates: [ 0.912337180000000, 0.824674365000000, 0.094870260000000 ] mass: 79.904000 reduced_to: 25 - symbol: Br # 29 coordinates: [ 0.412337180000000, 0.087662820000000, 0.094870260000000 ] mass: 79.904000 reduced_to: 29 - symbol: Br # 30 coordinates: [ 0.912337180000000, 0.087662820000000, 0.094870260000000 ] mass: 79.904000 reduced_to: 29 - symbol: Br # 31 coordinates: [ 0.412337180000000, 0.587662820000000, 0.094870260000000 ] mass: 79.904000 reduced_to: 29 - symbol: Br # 32 coordinates: [ 0.912337180000000, 0.587662820000000, 0.094870260000000 ] mass: 79.904000 reduced_to: 29 - symbol: Br # 33 coordinates: [ 0.175325635000000, 0.087662820000000, 0.094870260000000 ] mass: 79.904000 reduced_to: 33 - symbol: Br # 34 coordinates: [ 0.675325635000000, 0.087662820000000, 0.094870260000000 ] mass: 79.904000 reduced_to: 33 - symbol: Br # 35 coordinates: [ 0.175325635000000, 0.587662820000000, 0.094870260000000 ] mass: 79.904000 reduced_to: 33 - symbol: Br # 36 coordinates: [ 0.675325635000000, 0.587662820000000, 0.094870260000000 ] mass: 79.904000 reduced_to: 33 - symbol: Br # 37 coordinates: [ 0.324674365000000, 0.412337180000000, 0.594870260000000 ] mass: 79.904000 reduced_to: 37 - symbol: Br # 38 coordinates: [ 0.824674365000000, 0.412337180000000, 0.594870260000000 ] mass: 79.904000 reduced_to: 37 - symbol: Br # 39 coordinates: [ 0.324674365000000, 0.912337180000000, 0.594870260000000 ] mass: 79.904000 reduced_to: 37 - symbol: Br # 40 coordinates: [ 0.824674365000000, 0.912337180000000, 0.594870260000000 ] mass: 79.904000 reduced_to: 37 - symbol: Br # 41 coordinates: [ 0.412337180000000, 0.087662820000000, 0.405129740000000 ] mass: 79.904000 reduced_to: 41 - symbol: Br # 42 coordinates: [ 0.912337180000000, 0.087662820000000, 0.405129740000000 ] mass: 79.904000 reduced_to: 41 - symbol: Br # 43 coordinates: [ 0.412337180000000, 0.587662820000000, 0.405129740000000 ] mass: 79.904000 reduced_to: 41 - symbol: Br # 44 coordinates: [ 0.912337180000000, 0.587662820000000, 0.405129740000000 ] mass: 79.904000 reduced_to: 41 - symbol: Br # 45 coordinates: [ 0.087662820000000, 0.175325635000000, 0.905129740000000 ] mass: 79.904000 reduced_to: 45 - symbol: Br # 46 coordinates: [ 0.587662820000000, 0.175325635000000, 0.905129740000000 ] mass: 79.904000 reduced_to: 45 - symbol: Br # 47 coordinates: [ 0.087662820000000, 0.675325635000000, 0.905129740000000 ] mass: 79.904000 reduced_to: 45 - symbol: Br # 48 coordinates: [ 0.587662820000000, 0.675325635000000, 0.905129740000000 ] mass: 79.904000 reduced_to: 45 - symbol: Br # 49 coordinates: [ 0.324674365000000, 0.412337180000000, 0.905129740000000 ] mass: 79.904000 reduced_to: 49 - symbol: Br # 50 coordinates: [ 0.824674365000000, 0.412337180000000, 0.905129740000000 ] mass: 79.904000 reduced_to: 49 - symbol: Br # 51 coordinates: [ 0.324674365000000, 0.912337180000000, 0.905129740000000 ] mass: 79.904000 reduced_to: 49 - symbol: Br # 52 coordinates: [ 0.824674365000000, 0.912337180000000, 0.905129740000000 ] mass: 79.904000 reduced_to: 49 - symbol: Br # 53 coordinates: [ 0.175325635000000, 0.087662820000000, 0.405129740000000 ] mass: 79.904000 reduced_to: 53 - symbol: Br # 54 coordinates: [ 0.675325635000000, 0.087662820000000, 0.405129740000000 ] mass: 79.904000 reduced_to: 53 - symbol: Br # 55 coordinates: [ 0.175325635000000, 0.587662820000000, 0.405129740000000 ] mass: 79.904000 reduced_to: 53 - symbol: Br # 56 coordinates: [ 0.675325635000000, 0.587662820000000, 0.405129740000000 ] mass: 79.904000 reduced_to: 53 - symbol: Br # 57 coordinates: [ 0.412337180000000, 0.324674365000000, 0.405129740000000 ] mass: 79.904000 reduced_to: 57 - symbol: Br # 58 coordinates: [ 0.912337180000000, 0.324674365000000, 0.405129740000000 ] mass: 79.904000 reduced_to: 57 - symbol: Br # 59 coordinates: [ 0.412337180000000, 0.824674365000000, 0.405129740000000 ] mass: 79.904000 reduced_to: 57 - symbol: Br # 60 coordinates: [ 0.912337180000000, 0.824674365000000, 0.405129740000000 ] mass: 79.904000 reduced_to: 57 - symbol: Br # 61 coordinates: [ 0.087662820000000, 0.412337180000000, 0.594870260000000 ] mass: 79.904000 reduced_to: 61 - symbol: Br # 62 coordinates: [ 0.587662820000000, 0.412337180000000, 0.594870260000000 ] mass: 79.904000 reduced_to: 61 - symbol: Br # 63 coordinates: [ 0.087662820000000, 0.912337180000000, 0.594870260000000 ] mass: 79.904000 reduced_to: 61 - symbol: Br # 64 coordinates: [ 0.587662820000000, 0.912337180000000, 0.594870260000000 ] mass: 79.904000 reduced_to: 61 - symbol: Br # 65 coordinates: [ 0.087662820000000, 0.175325635000000, 0.594870260000000 ] mass: 79.904000 reduced_to: 65 - symbol: Br # 66 coordinates: [ 0.587662820000000, 0.175325635000000, 0.594870260000000 ] mass: 79.904000 reduced_to: 65 - symbol: Br # 67 coordinates: [ 0.087662820000000, 0.675325635000000, 0.594870260000000 ] mass: 79.904000 reduced_to: 65 - symbol: Br # 68 coordinates: [ 0.587662820000000, 0.675325635000000, 0.594870260000000 ] mass: 79.904000 reduced_to: 65 - symbol: Br # 69 coordinates: [ 0.087662820000000, 0.412337180000000, 0.905129740000000 ] mass: 79.904000 reduced_to: 69 - symbol: Br # 70 coordinates: [ 0.587662820000000, 0.412337180000000, 0.905129740000000 ] mass: 79.904000 reduced_to: 69 - symbol: Br # 71 coordinates: [ 0.087662820000000, 0.912337180000000, 0.905129740000000 ] mass: 79.904000 reduced_to: 69 - symbol: Br # 72 coordinates: [ 0.587662820000000, 0.912337180000000, 0.905129740000000 ] mass: 79.904000 reduced_to: 69 - symbol: Rb # 73 coordinates: [ 0.166666665000000, 0.333333335000000, 0.435549040000000 ] mass: 85.467800 reduced_to: 73 - symbol: Rb # 74 coordinates: [ 0.666666665000000, 0.333333335000000, 0.435549040000000 ] mass: 85.467800 reduced_to: 73 - symbol: Rb # 75 coordinates: [ 0.166666665000000, 0.833333335000000, 0.435549040000000 ] mass: 85.467800 reduced_to: 73 - symbol: Rb # 76 coordinates: [ 0.666666665000000, 0.833333335000000, 0.435549040000000 ] mass: 85.467800 reduced_to: 73 - symbol: Rb # 77 coordinates: [ 0.333333335000000, 0.166666665000000, 0.935549040000000 ] mass: 85.467800 reduced_to: 77 - symbol: Rb # 78 coordinates: [ 0.833333335000000, 0.166666665000000, 0.935549040000000 ] mass: 85.467800 reduced_to: 77 - symbol: Rb # 79 coordinates: [ 0.333333335000000, 0.666666665000000, 0.935549040000000 ] mass: 85.467800 reduced_to: 77 - symbol: Rb # 80 coordinates: [ 0.833333335000000, 0.666666665000000, 0.935549040000000 ] mass: 85.467800 reduced_to: 77 - symbol: Rb # 81 coordinates: [ 0.333333335000000, 0.166666665000000, 0.564450960000000 ] mass: 85.467800 reduced_to: 81 - symbol: Rb # 82 coordinates: [ 0.833333335000000, 0.166666665000000, 0.564450960000000 ] mass: 85.467800 reduced_to: 81 - symbol: Rb # 83 coordinates: [ 0.333333335000000, 0.666666665000000, 0.564450960000000 ] mass: 85.467800 reduced_to: 81 - symbol: Rb # 84 coordinates: [ 0.833333335000000, 0.666666665000000, 0.564450960000000 ] mass: 85.467800 reduced_to: 81 - symbol: Rb # 85 coordinates: [ 0.166666665000000, 0.333333335000000, 0.064450960000000 ] mass: 85.467800 reduced_to: 85 - symbol: Rb # 86 coordinates: [ 0.666666665000000, 0.333333335000000, 0.064450960000000 ] mass: 85.467800 reduced_to: 85 - symbol: Rb # 87 coordinates: [ 0.166666665000000, 0.833333335000000, 0.064450960000000 ] mass: 85.467800 reduced_to: 85 - symbol: Rb # 88 coordinates: [ 0.666666665000000, 0.833333335000000, 0.064450960000000 ] mass: 85.467800 reduced_to: 85 - symbol: Rb # 89 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 85.467800 reduced_to: 89 - symbol: Rb # 90 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 85.467800 reduced_to: 89 - symbol: Rb # 91 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 85.467800 reduced_to: 89 - symbol: Rb # 92 coordinates: [ 0.500000000000000, 0.500000000000000, 0.750000000000000 ] mass: 85.467800 reduced_to: 89 - symbol: Rb # 93 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 85.467800 reduced_to: 93 - symbol: Rb # 94 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 85.467800 reduced_to: 93 - symbol: Rb # 95 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 85.467800 reduced_to: 93 - symbol: Rb # 96 coordinates: [ 0.500000000000000, 0.500000000000000, 0.250000000000000 ] mass: 85.467800 reduced_to: 93 - symbol: Os # 97 coordinates: [ 0.333333335000000, 0.166666665000000, 0.175460910000000 ] mass: 190.230000 reduced_to: 97 - symbol: Os # 98 coordinates: [ 0.833333335000000, 0.166666665000000, 0.175460910000000 ] mass: 190.230000 reduced_to: 97 - symbol: Os # 99 coordinates: [ 0.333333335000000, 0.666666665000000, 0.175460910000000 ] mass: 190.230000 reduced_to: 97 - symbol: Os # 100 coordinates: [ 0.833333335000000, 0.666666665000000, 0.175460910000000 ] mass: 190.230000 reduced_to: 97 - symbol: Os # 101 coordinates: [ 0.166666665000000, 0.333333335000000, 0.675460910000000 ] mass: 190.230000 reduced_to: 101 - symbol: Os # 102 coordinates: [ 0.666666665000000, 0.333333335000000, 0.675460910000000 ] mass: 190.230000 reduced_to: 101 - symbol: Os # 103 coordinates: [ 0.166666665000000, 0.833333335000000, 0.675460910000000 ] mass: 190.230000 reduced_to: 101 - symbol: Os # 104 coordinates: [ 0.666666665000000, 0.833333335000000, 0.675460910000000 ] mass: 190.230000 reduced_to: 101 - symbol: Os # 105 coordinates: [ 0.166666665000000, 0.333333335000000, 0.824539090000000 ] mass: 190.230000 reduced_to: 105 - symbol: Os # 106 coordinates: [ 0.666666665000000, 0.333333335000000, 0.824539090000000 ] mass: 190.230000 reduced_to: 105 - symbol: Os # 107 coordinates: [ 0.166666665000000, 0.833333335000000, 0.824539090000000 ] mass: 190.230000 reduced_to: 105 - symbol: Os # 108 coordinates: [ 0.666666665000000, 0.833333335000000, 0.824539090000000 ] mass: 190.230000 reduced_to: 105 - symbol: Os # 109 coordinates: [ 0.333333335000000, 0.166666665000000, 0.324539090000000 ] mass: 190.230000 reduced_to: 109 - symbol: Os # 110 coordinates: [ 0.833333335000000, 0.166666665000000, 0.324539090000000 ] mass: 190.230000 reduced_to: 109 - symbol: Os # 111 coordinates: [ 0.333333335000000, 0.666666665000000, 0.324539090000000 ] mass: 190.230000 reduced_to: 109 - symbol: Os # 112 coordinates: [ 0.833333335000000, 0.666666665000000, 0.324539090000000 ] mass: 190.230000 reduced_to: 109born_effective_charge:- # 1 (Br) - [ -0.826491700000000, 0.469195210000000, 0.000000000000000 ] - [ 0.469195210000000, -0.284711740000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.619987650000000 ]- # 2 (Br) - [ -0.013821758806026, -0.000000000983164, 0.000000000000000 ] - [ -0.000000000395519, -1.097381681193975, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.619987650000000 ]- # 3 (Br) - [ -0.826491701193974, -0.469195209898304, 0.000000000000000 ] - [ -0.469195208723013, -0.284711738806026, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.619987650000000 ]- # 4 (Br) - [ -0.826491701193974, -0.469195209898304, 0.000000000000000 ] - [ -0.469195208723013, -0.284711738806026, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.619987650000000 ]- # 5 (Br) - [ -0.013821758806026, -0.000000000983164, 0.000000000000000 ] - [ -0.000000000395519, -1.097381681193975, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.619987650000000 ]- # 6 (Br) - [ -0.826491700000000, 0.469195210000000, 0.000000000000000 ] - [ 0.469195210000000, -0.284711740000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.619987650000000 ]- # 7 (Br) - [ -0.318305200000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.006421590000000, 0.276068450000000 ] - [ -0.000000000000000, 0.414950520000000, -0.828178870000000 ]- # 8 (Br) - [ -0.834392492500000, 0.297963137436813, 0.239082291033114 ] - [ 0.297963137063628, -0.490334297500000, -0.138034225000000 ] - [ 0.359357691408523, -0.207475260000000, -0.828178870000000 ]- # 9 (Br) - [ -0.834392492500000, -0.297963137436813, -0.239082291033114 ] - [ -0.297963137063628, -0.490334297500000, -0.138034225000000 ] - [ -0.359357691408523, -0.207475260000000, -0.828178870000000 ]- # 10 (Br) - [ -0.834392492500000, -0.297963137436813, 0.239082291033114 ] - [ -0.297963137063628, -0.490334297500000, 0.138034225000000 ] - [ 0.359357691408523, 0.207475260000000, -0.828178870000000 ]- # 11 (Br) - [ -0.834392492500000, 0.297963137436813, -0.239082291033114 ] - [ 0.297963137063628, -0.490334297500000, 0.138034225000000 ] - [ -0.359357691408523, 0.207475260000000, -0.828178870000000 ]- # 12 (Br) - [ -0.318305200000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.006421590000000, 0.276068450000000 ] - [ -0.000000000000000, 0.414950520000000, -0.828178870000000 ]- # 13 (Br) - [ -0.834392492500000, -0.297963137436813, -0.239082291033114 ] - [ -0.297963137063628, -0.490334297500000, -0.138034225000000 ] - [ -0.359357691408523, -0.207475260000000, -0.828178870000000 ]- # 14 (Br) - [ -0.834392492500000, -0.297963137436813, 0.239082291033114 ] - [ -0.297963137063628, -0.490334297500000, 0.138034225000000 ] - [ 0.359357691408523, 0.207475260000000, -0.828178870000000 ]- # 15 (Br) - [ -0.318305200000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.006421590000000, -0.276068450000000 ] - [ 0.000000000000000, -0.414950520000000, -0.828178870000000 ]- # 16 (Br) - [ -0.834392492500000, 0.297963137436813, -0.239082291033114 ] - [ 0.297963137063628, -0.490334297500000, 0.138034225000000 ] - [ -0.359357691408523, 0.207475260000000, -0.828178870000000 ]- # 17 (Br) - [ -0.318305200000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.006421590000000, -0.276068450000000 ] - [ 0.000000000000000, -0.414950520000000, -0.828178870000000 ]- # 18 (Br) - [ -0.834392492500000, 0.297963137436813, 0.239082291033114 ] - [ 0.297963137063628, -0.490334297500000, -0.138034225000000 ] - [ 0.359357691408523, -0.207475260000000, -0.828178870000000 ]- # 19 (Rb) - [ 1.267811920000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 1.267811920000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.609103460000000 ]- # 20 (Rb) - [ 1.267811920000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.267811920000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.609103460000000 ]- # 21 (Rb) - [ 1.267811920000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 1.267811920000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.609103460000000 ]- # 22 (Rb) - [ 1.267811920000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.267811920000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.609103460000000 ]- # 23 (Rb) - [ 1.433820810000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.433820810000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.792223740000000 ]- # 24 (Rb) - [ 1.433820810000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.433820810000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.792223740000000 ]- # 25 (Os) - [ 0.835770440000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 0.835770440000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.409302750000000 ]- # 26 (Os) - [ 0.835770440000000, -0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 0.835770440000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.409302750000000 ]- # 27 (Os) - [ 0.835770440000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 0.835770440000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.409302750000000 ]- # 28 (Os) - [ 0.835770440000000, -0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 0.835770440000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.409302750000000 ]dielectric_constant: - [ 4.460232910000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 4.460232910000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.522578350000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0786503400000000, 0.0332649400000000, 0.0000000000000000 ] - [ 0.0004746400000000, -0.0002496500000000, 0.0000000000000000 ] - [ 0.0004109100000000, -0.0002856700000000, 0.0000000000000000 ] - [ 0.0003826500000000, -0.0001373400000000, 0.0000000000000000 ] - [ -0.0000034600000000, -0.0005211500000000, 0.0000000000000000 ] - [ -0.0000209300000000, -0.0004400100000000, 0.0000000000000000 ] - [ 0.0000057400000000, -0.0005265700000000, 0.0000000000000000 ] - [ -0.0000025200000000, -0.0005119100000000, 0.0000000000000000 ] - [ 0.0004553600000000, 0.0002674100000000, 0.0000000000000000 ] - [ 0.0004544100000000, 0.0002565500000000, 0.0000000000000000 ] - [ 0.0003480800000000, 0.0002299800000000, 0.0000000000000000 ] - [ 0.0004399400000000, 0.0002575600000000, 0.0000000000000000 ] - [ 0.0018847100000000, -0.0011168500000000, 0.0000000000000000 ] - [ 0.0024048600000000, 0.0002451000000000, 0.0000000000000000 ] - [ -0.0003764100000000, -0.0002175000000000, 0.0000000000000000 ] - [ -0.0003769900000000, -0.0002075500000000, 0.0000000000000000 ] - [ 0.0009618700000000, 0.0005432800000000, 0.0000000000000000 ] - [ 0.0000326800000000, 0.0004434400000000, 0.0000000000000000 ] - [ -0.0001672300000000, -0.0017106400000000, 0.0000000000000000 ] - [ 0.0000239700000000, 0.0004486300000000, 0.0000000000000000 ] - [ -0.0004807100000000, 0.0002765400000000, 0.0000000000000000 ] - [ -0.0004410300000000, 0.0002618500000000, 0.0000000000000000 ] - [ -0.0004578600000000, 0.0002535700000000, 0.0000000000000000 ] - [ -0.0004402100000000, 0.0002543600000000, 0.0000000000000000 ] - [ -0.0000251500000000, -0.0001020600000000, -0.0000099900000000 ] - [ 0.0000065300000000, -0.0000199000000000, -0.0001522900000000 ] - [ 0.0000043100000000, -0.0001847800000000, -0.0000584300000000 ] - [ -0.0000029900000000, -0.0001404400000000, -0.0000558700000000 ] - [ -0.0001130400000000, 0.0000645500000000, 0.0000272800000000 ] - [ -0.0001479000000000, 0.0001037000000000, -0.0000584500000000 ] - [ -0.0001726500000000, 0.0000845600000000, -0.0000465400000000 ] - [ -0.0000945100000000, 0.0000541500000000, -0.0000627400000000 ] - [ 0.0000899300000000, 0.0000810200000000, -0.0000040200000000 ] - [ 0.0001620300000000, 0.0000889000000000, -0.0000594900000000 ] - [ -0.0000000800000000, -0.0000165500000000, -0.0001770400000000 ] - [ 0.0001189200000000, 0.0000721500000000, -0.0000574000000000 ] - [ -0.0036892100000000, 0.0001949800000000, -0.0004492400000000 ] - [ 0.0000935000000000, 0.0001227400000000, -0.0003497900000000 ] - [ -0.0000653700000000, -0.0001380000000000, -0.0001349300000000 ] - [ -0.0000929700000000, -0.0000398500000000, -0.0001058800000000 ] - [ -0.0001130400000000, 0.0000645500000000, -0.0000272800000000 ] - [ -0.0001479000000000, 0.0001037000000000, 0.0000584500000000 ] - [ -0.0001726500000000, 0.0000845600000000, 0.0000465400000000 ] - [ -0.0000945100000000, 0.0000541500000000, 0.0000627400000000 ] - [ 0.0008610400000000, 0.0026759300000000, -0.0032893800000000 ] - [ 0.0000815100000000, 0.0001421200000000, 0.0001148900000000 ] - [ -0.0000828800000000, -0.0002417800000000, 0.0004401700000000 ] - [ -0.0000116300000000, 0.0001473000000000, 0.0001402300000000 ] - [ -0.0036892100000000, 0.0001949800000000, 0.0004492400000000 ] - [ 0.0000935000000000, 0.0001227400000000, 0.0003497900000000 ] - [ -0.0000653700000000, -0.0001380000000000, 0.0001349300000000 ] - [ -0.0000929700000000, -0.0000398500000000, 0.0001058800000000 ] - [ 0.0000899300000000, 0.0000810200000000, 0.0000040200000000 ] - [ 0.0001620300000000, 0.0000889000000000, 0.0000594900000000 ] - [ -0.0000000800000000, -0.0000165500000000, 0.0001770400000000 ] - [ 0.0001189200000000, 0.0000721500000000, 0.0000574000000000 ] - [ -0.0000251500000000, -0.0001020600000000, 0.0000099900000000 ] - [ 0.0000065300000000, -0.0000199000000000, 0.0001522900000000 ] - [ 0.0000043100000000, -0.0001847800000000, 0.0000584300000000 ] - [ -0.0000029900000000, -0.0001404400000000, 0.0000558700000000 ] - [ 0.0036812500000000, -0.0038199100000000, 0.0063884200000000 ] - [ 0.0000779200000000, -0.0000060200000000, -0.0001760100000000 ] - [ 0.0000068600000000, -0.0001004900000000, -0.0001741500000000 ] - [ 0.0001387600000000, -0.0000786500000000, -0.0000924700000000 ] - [ 0.0008610400000000, 0.0026759300000000, 0.0032893800000000 ] - [ 0.0000815100000000, 0.0001421200000000, -0.0001148900000000 ] - [ -0.0000828800000000, -0.0002417800000000, -0.0004401700000000 ] - [ -0.0000116300000000, 0.0001473000000000, -0.0001402300000000 ] - [ 0.0036812500000000, -0.0038199100000000, -0.0063884200000000 ] - [ 0.0000779200000000, -0.0000060200000000, 0.0001760100000000 ] - [ 0.0000068600000000, -0.0001004900000000, 0.0001741500000000 ] - [ 0.0001387600000000, -0.0000786500000000, 0.0000924700000000 ] - [ 0.0002351900000000, -0.0001177200000000, -0.0004091100000000 ] - [ -0.0000705700000000, -0.0000059800000000, -0.0001281000000000 ] - [ -0.0000314600000000, 0.0000680600000000, -0.0001172500000000 ] - [ 0.0000198900000000, -0.0000162700000000, -0.0001584800000000 ] - [ -0.0003868300000000, 0.0000790100000000, -0.0010321000000000 ] - [ -0.0001498000000000, -0.0002420300000000, -0.0002605300000000 ] - [ 0.0001585200000000, 0.0002551900000000, -0.0002901200000000 ] - [ 0.0000134000000000, -0.0000009100000000, -0.0002611800000000 ] - [ -0.0003868300000000, 0.0000790100000000, 0.0010321000000000 ] - [ -0.0001498000000000, -0.0002420300000000, 0.0002605300000000 ] - [ 0.0001585200000000, 0.0002551900000000, 0.0002901200000000 ] - [ 0.0000134000000000, -0.0000009100000000, 0.0002611800000000 ] - [ 0.0002351900000000, -0.0001177200000000, 0.0004091100000000 ] - [ -0.0000705700000000, -0.0000059800000000, 0.0001281000000000 ] - [ -0.0000314600000000, 0.0000680600000000, 0.0001172500000000 ] - [ 0.0000198900000000, -0.0000162700000000, 0.0001584800000000 ] - [ 0.0012086700000000, 0.0018728000000000, 0.0000000000000000 ] - [ -0.0001553500000000, 0.0000655900000000, 0.0000000000000000 ] - [ -0.0002517800000000, 0.0001817100000000, 0.0000000000000000 ] - [ 0.0000740700000000, -0.0000090300000000, 0.0000000000000000 ] - [ 0.0000491900000000, -0.0000166800000000, 0.0000000000000000 ] - [ -0.0000482500000000, 0.0000272100000000, 0.0000000000000000 ] - [ -0.0000510700000000, 0.0000271000000000, 0.0000000000000000 ] - [ 0.0000367000000000, -0.0000314600000000, 0.0000000000000000 ] - [ 0.0000085800000000, -0.0000156700000000, -0.0005139200000000 ] - [ 0.0000943200000000, -0.0000957000000000, -0.0005386800000000 ] - [ 0.0001701800000000, -0.0000153100000000, -0.0005361200000000 ] - [ -0.0000197100000000, 0.0000120500000000, -0.0004640000000000 ] - [ 0.0348828000000000, -0.0153936500000000, 0.0205537500000000 ] - [ -0.0000454500000000, -0.0004247600000000, 0.0000072500000000 ] - [ 0.0004811200000000, 0.0003959900000000, 0.0002079400000000 ] - [ -0.0000464800000000, -0.0000237900000000, -0.0003789000000000 ] - [ 0.0348828000000000, -0.0153936500000000, -0.0205537500000000 ] - [ -0.0000454500000000, -0.0004247600000000, -0.0000072500000000 ] - [ 0.0004811200000000, 0.0003959900000000, -0.0002079400000000 ] - [ -0.0000464800000000, -0.0000237900000000, 0.0003789000000000 ] - [ 0.0000085800000000, -0.0000156700000000, 0.0005139200000000 ] - [ 0.0000943200000000, -0.0000957000000000, 0.0005386800000000 ] - [ 0.0001701800000000, -0.0000153100000000, 0.0005361200000000 ] - [ -0.0000197100000000, 0.0000120500000000, 0.0004640000000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0820280100000000, -0.0354285000000000, 0.0000000000000000 ] - [ 0.0003789200000000, -0.0002420900000000, 0.0000000000000000 ] - [ 0.0004406300000000, -0.0002063000000000, 0.0000000000000000 ] - [ 0.0004646300000000, -0.0003515000000000, 0.0000000000000000 ] - [ 0.0000018900000000, -0.0004628200000000, 0.0000000000000000 ] - [ 0.0000194200000000, -0.0005421800000000, 0.0000000000000000 ] - [ -0.0000072800000000, -0.0004577100000000, 0.0000000000000000 ] - [ 0.0000009000000000, -0.0004734800000000, 0.0000000000000000 ] - [ 0.0003953700000000, 0.0002255300000000, 0.0000000000000000 ] - [ 0.0003946700000000, 0.0002359500000000, 0.0000000000000000 ] - [ 0.0005050900000000, 0.0002642500000000, 0.0000000000000000 ] - [ 0.0004128800000000, 0.0002367300000000, 0.0000000000000000 ] - [ -0.0028229200000000, 0.0005992400000000, 0.0000000000000000 ] - [ -0.0031698900000000, -0.0007253100000000, 0.0000000000000000 ] - [ -0.0004719100000000, -0.0002752700000000, 0.0000000000000000 ] - [ -0.0004728900000000, -0.0002839300000000, 0.0000000000000000 ] - [ -0.0009406400000000, 0.0004459400000000, 0.0000000000000000 ] - [ -0.0000298300000000, 0.0005383100000000, 0.0000000000000000 ] - [ 0.0001552500000000, 0.0026647200000000, 0.0000000000000000 ] - [ -0.0000226000000000, 0.0005350500000000, 0.0000000000000000 ] - [ -0.0003707300000000, 0.0002153100000000, 0.0000000000000000 ] - [ -0.0004064600000000, 0.0002272900000000, 0.0000000000000000 ] - [ -0.0003914400000000, 0.0002371700000000, 0.0000000000000000 ] - [ -0.0004122200000000, 0.0002378100000000, 0.0000000000000000 ] - [ 0.0000273700000000, -0.0001641300000000, -0.0001439300000000 ] - [ -0.0000042900000000, -0.0002503200000000, -0.0000005900000000 ] - [ -0.0000019300000000, -0.0000821300000000, -0.0000961700000000 ] - [ 0.0000056400000000, -0.0001249800000000, -0.0000993500000000 ] - [ -0.0001183800000000, 0.0000692100000000, -0.0001804100000000 ] - [ -0.0000831400000000, 0.0000302800000000, -0.0000977900000000 ] - [ -0.0000581400000000, 0.0000487100000000, -0.0001094700000000 ] - [ -0.0001368900000000, 0.0000796700000000, -0.0000927100000000 ] - [ 0.0001405700000000, 0.0000495500000000, -0.0001509300000000 ] - [ 0.0000723900000000, 0.0000439400000000, -0.0000940000000000 ] - [ 0.0002342500000000, 0.0001492800000000, 0.0000237300000000 ] - [ 0.0001127300000000, 0.0000590700000000, -0.0000976300000000 ] - [ 0.0034760800000000, -0.0003599600000000, 0.0003452700000000 ] - [ -0.0003204800000000, -0.0002511000000000, 0.0001894100000000 ] - [ -0.0001658700000000, 0.0000051300000000, -0.0000205300000000 ] - [ -0.0001390300000000, -0.0000908300000000, -0.0000481300000000 ] - [ -0.0001183800000000, 0.0000692100000000, 0.0001804100000000 ] - [ -0.0000831400000000, 0.0000302800000000, 0.0000977900000000 ] - [ -0.0000581400000000, 0.0000487100000000, 0.0001094700000000 ] - [ -0.0001368900000000, 0.0000796700000000, 0.0000927100000000 ] - [ -0.0008461700000000, -0.0024032500000000, 0.0034317300000000 ] - [ -0.0000816000000000, 0.0001238800000000, 0.0000409600000000 ] - [ 0.0000812900000000, 0.0005055200000000, -0.0002813200000000 ] - [ 0.0000091300000000, 0.0001218400000000, 0.0000134600000000 ] - [ 0.0034760800000000, -0.0003599600000000, -0.0003452700000000 ] - [ -0.0003204800000000, -0.0002511000000000, -0.0001894100000000 ] - [ -0.0001658700000000, 0.0000051300000000, 0.0000205300000000 ] - [ -0.0001390300000000, -0.0000908300000000, 0.0000481300000000 ] - [ 0.0001405700000000, 0.0000495500000000, 0.0001509300000000 ] - [ 0.0000723900000000, 0.0000439400000000, 0.0000940000000000 ] - [ 0.0002342500000000, 0.0001492800000000, -0.0000237300000000 ] - [ 0.0001127300000000, 0.0000590700000000, 0.0000976300000000 ] - [ 0.0000273700000000, -0.0001641300000000, 0.0001439300000000 ] - [ -0.0000042900000000, -0.0002503200000000, 0.0000005900000000 ] - [ -0.0000019300000000, -0.0000821300000000, 0.0000961700000000 ] - [ 0.0000056400000000, -0.0001249800000000, 0.0000993500000000 ] - [ -0.0035338300000000, 0.0037710400000000, -0.0066780800000000 ] - [ 0.0001553000000000, -0.0001262000000000, 0.0000183800000000 ] - [ 0.0002221900000000, -0.0000329100000000, 0.0000171800000000 ] - [ 0.0000958100000000, -0.0000563400000000, -0.0000614900000000 ] - [ -0.0008461700000000, -0.0024032500000000, -0.0034317300000000 ] - [ -0.0000816000000000, 0.0001238800000000, -0.0000409600000000 ] - [ 0.0000812900000000, 0.0005055200000000, 0.0002813200000000 ] - [ 0.0000091300000000, 0.0001218400000000, -0.0000134600000000 ] - [ -0.0035338300000000, 0.0037710400000000, 0.0066780800000000 ] - [ 0.0001553000000000, -0.0001262000000000, -0.0000183800000000 ] - [ 0.0002221900000000, -0.0000329100000000, -0.0000171800000000 ] - [ 0.0000958100000000, -0.0000563400000000, 0.0000614900000000 ] - [ -0.0002379300000000, 0.0001241500000000, -0.0000006100000000 ] - [ 0.0000708500000000, 0.0000070500000000, -0.0002763000000000 ] - [ 0.0000316700000000, -0.0000687300000000, -0.0002882700000000 ] - [ -0.0000200100000000, 0.0000156600000000, -0.0002493000000000 ] - [ 0.0003862800000000, -0.0000728800000000, 0.0006019100000000 ] - [ 0.0001427700000000, 0.0002452600000000, -0.0001455500000000 ] - [ -0.0001622700000000, -0.0002550600000000, -0.0001145800000000 ] - [ -0.0000113200000000, -0.0000013700000000, -0.0001473100000000 ] - [ 0.0003862800000000, -0.0000728800000000, -0.0006019100000000 ] - [ 0.0001427700000000, 0.0002452600000000, 0.0001455500000000 ] - [ -0.0001622700000000, -0.0002550600000000, 0.0001145800000000 ] - [ -0.0000113200000000, -0.0000013700000000, 0.0001473100000000 ] - [ -0.0002379300000000, 0.0001241500000000, 0.0000006100000000 ] - [ 0.0000708500000000, 0.0000070500000000, 0.0002763000000000 ] - [ 0.0000316700000000, -0.0000687300000000, 0.0002882700000000 ] - [ -0.0000200100000000, 0.0000156600000000, 0.0002493000000000 ] - [ -0.0012115500000000, -0.0019126900000000, 0.0000000000000000 ] - [ 0.0001504900000000, -0.0000617000000000, 0.0000000000000000 ] - [ 0.0002447200000000, -0.0001789600000000, 0.0000000000000000 ] - [ -0.0000658900000000, 0.0000062800000000, 0.0000000000000000 ] - [ -0.0000479600000000, 0.0000155600000000, 0.0000000000000000 ] - [ 0.0000486200000000, -0.0000276300000000, 0.0000000000000000 ] - [ 0.0000516200000000, -0.0000267000000000, 0.0000000000000000 ] - [ -0.0000354500000000, 0.0000314800000000, 0.0000000000000000 ] - [ -0.0000103100000000, 0.0000183700000000, -0.0003939300000000 ] - [ -0.0000978800000000, 0.0001004300000000, -0.0003676200000000 ] - [ -0.0001755700000000, 0.0000163700000000, -0.0003716300000000 ] - [ 0.0000172400000000, -0.0000116300000000, -0.0004459800000000 ] - [ -0.0361042600000000, 0.0161919300000000, -0.0222475800000000 ] - [ 0.0000455800000000, 0.0004146800000000, -0.0009034500000000 ] - [ -0.0004737500000000, -0.0003901700000000, -0.0011032400000000 ] - [ 0.0000492000000000, 0.0000210500000000, -0.0005270400000000 ] - [ -0.0361042600000000, 0.0161919300000000, 0.0222475800000000 ] - [ 0.0000455800000000, 0.0004146800000000, 0.0009034500000000 ] - [ -0.0004737500000000, -0.0003901700000000, 0.0011032400000000 ] - [ 0.0000492000000000, 0.0000210500000000, 0.0005270400000000 ] - [ -0.0000103100000000, 0.0000183700000000, 0.0003939300000000 ] - [ -0.0000978800000000, 0.0001004300000000, 0.0003676200000000 ] - [ -0.0001755700000000, 0.0000163700000000, 0.0003716300000000 ] - [ 0.0000172400000000, -0.0000116300000000, 0.0004459800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0012889500000000, -0.0007441700000000, -0.0583749100000000 ] - [ 0.0004307200000000, -0.0002485000000000, -0.0000548100000000 ] - [ 0.0004305700000000, -0.0002487600000000, -0.0000548100000000 ] - [ 0.0004297300000000, -0.0002481000000000, -0.0000374000000000 ] - [ -0.0000009400000000, -0.0004973800000000, 0.0000284900000000 ] - [ -0.0000012600000000, -0.0004969000000000, 0.0001223600000000 ] - [ -0.0000010000000000, -0.0004974200000000, 0.0000287500000000 ] - [ -0.0000010700000000, -0.0004971500000000, 0.0000205000000000 ] - [ 0.0004302700000000, 0.0002495100000000, 0.0000284900000000 ] - [ 0.0004302800000000, 0.0002495700000000, 0.0000287500000000 ] - [ 0.0004297000000000, 0.0002495400000000, 0.0001223600000000 ] - [ 0.0004300100000000, 0.0002495000000000, 0.0000205000000000 ] - [ -0.0004209100000000, -0.0002504800000000, -0.0012369400000000 ] - [ -0.0004346200000000, -0.0002477400000000, -0.0007273100000000 ] - [ -0.0004304000000000, -0.0002497300000000, -0.0000372200000000 ] - [ -0.0004305300000000, -0.0002495200000000, -0.0000372000000000 ] - [ 0.0000064700000000, 0.0004897600000000, -0.0012369400000000 ] - [ 0.0000010700000000, 0.0004976100000000, -0.0000372200000000 ] - [ -0.0000027600000000, 0.0005002600000000, -0.0007273100000000 ] - [ 0.0000008200000000, 0.0004976100000000, -0.0000372000000000 ] - [ -0.0004305900000000, 0.0002486000000000, 0.0000243100000000 ] - [ -0.0004299400000000, 0.0002480900000000, 0.0000431100000000 ] - [ -0.0004298200000000, 0.0002482900000000, 0.0000431100000000 ] - [ -0.0004300700000000, 0.0002483000000000, 0.0000363700000000 ] - [ 0.0000180000000000, -0.0001391800000000, -0.0000355600000000 ] - [ -0.0000031800000000, -0.0002841100000000, 0.0000632300000000 ] - [ 0.0000057400000000, -0.0001280600000000, -0.0000314600000000 ] - [ -0.0000011700000000, -0.0001406500000000, -0.0000542800000000 ] - [ -0.0001259800000000, 0.0000727300000000, -0.0000359800000000 ] - [ -0.0001450800000000, 0.0000452300000000, -0.0000069600000000 ] - [ -0.0001117100000000, 0.0001030300000000, -0.0000069600000000 ] - [ -0.0001446100000000, 0.0000834900000000, -0.0000405300000000 ] - [ 0.0001295300000000, 0.0000540000000000, -0.0000355600000000 ] - [ 0.0001137700000000, 0.0000590600000000, -0.0000314600000000 ] - [ 0.0002444500000000, 0.0001448100000000, 0.0000632300000000 ] - [ 0.0001212200000000, 0.0000713400000000, -0.0000542800000000 ] - [ 0.0000544700000000, -0.0034036300000000, 0.0035147300000000 ] - [ 0.0000906900000000, 0.0000731800000000, -0.0003063400000000 ] - [ -0.0001003400000000, -0.0000610900000000, -0.0001396500000000 ] - [ -0.0001042300000000, -0.0000497300000000, -0.0000960500000000 ] - [ -0.0001003600000000, 0.0000579500000000, 0.0001163900000000 ] - [ -0.0000809700000000, 0.0000856000000000, 0.0001474200000000 ] - [ -0.0001146200000000, 0.0000273200000000, 0.0001474200000000 ] - [ -0.0000815600000000, 0.0000470900000000, 0.0001131200000000 ] - [ -0.0030511400000000, -0.0014015700000000, 0.0037311000000000 ] - [ -0.0000039000000000, 0.0001428200000000, 0.0000141700000000 ] - [ 0.0000165300000000, 0.0003725300000000, -0.0001523000000000 ] - [ 0.0000060600000000, 0.0001450100000000, 0.0000570400000000 ] - [ -0.0003117800000000, 0.0033431500000000, 0.0037311000000000 ] - [ -0.0003143600000000, -0.0002005800000000, -0.0001523000000000 ] - [ -0.0001256300000000, -0.0000680300000000, 0.0000141700000000 ] - [ -0.0001225500000000, -0.0000777500000000, 0.0000570400000000 ] - [ 0.0000960000000000, 0.0000744200000000, 0.0001173900000000 ] - [ 0.0001126600000000, 0.0000693400000000, 0.0001217300000000 ] - [ -0.0000188100000000, -0.0000172000000000, 0.0002176800000000 ] - [ 0.0001051100000000, 0.0000567800000000, 0.0000984600000000 ] - [ -0.0000164500000000, -0.0001203500000000, 0.0001173900000000 ] - [ 0.0000054900000000, 0.0000248900000000, 0.0002176800000000 ] - [ -0.0000037200000000, -0.0001322300000000, 0.0001217300000000 ] - [ 0.0000033800000000, -0.0001194200000000, 0.0000984600000000 ] - [ 0.0060531300000000, -0.0034947800000000, 0.0049367400000000 ] - [ -0.0000129200000000, -0.0000470500000000, -0.0000687700000000 ] - [ 0.0000342800000000, 0.0000347200000000, -0.0000687700000000 ] - [ 0.0001020500000000, -0.0000589200000000, -0.0001041600000000 ] - [ 0.0029748700000000, 0.0016546400000000, 0.0035147300000000 ] - [ 0.0000027300000000, 0.0001174400000000, -0.0001396500000000 ] - [ -0.0000180300000000, -0.0001151300000000, -0.0003063400000000 ] - [ -0.0000090500000000, 0.0001151300000000, -0.0000960500000000 ] - [ -0.0058545400000000, 0.0033801200000000, 0.0050906200000000 ] - [ 0.0002397900000000, -0.0000823600000000, 0.0000856900000000 ] - [ 0.0001912200000000, -0.0001664900000000, 0.0000856900000000 ] - [ 0.0001244700000000, -0.0000718600000000, 0.0000494900000000 ] - [ 0.0002191000000000, -0.0001265000000000, -0.0005834100000000 ] - [ -0.0000288800000000, -0.0000091600000000, -0.0002441100000000 ] - [ -0.0000065100000000, 0.0000295900000000, -0.0002441100000000 ] - [ 0.0000047400000000, -0.0000027400000000, -0.0002207200000000 ] - [ 0.0004097900000000, -0.0002365900000000, 0.0001621400000000 ] - [ 0.0001859300000000, 0.0003059700000000, -0.0001908200000000 ] - [ -0.0001720200000000, -0.0003140000000000, -0.0001908200000000 ] - [ 0.0000301500000000, -0.0000174100000000, -0.0002031800000000 ] - [ -0.0003992700000000, 0.0002305200000000, 0.0005698400000000 ] - [ -0.0001885900000000, -0.0003071100000000, 0.0002189700000000 ] - [ 0.0001716700000000, 0.0003168700000000, 0.0002189700000000 ] - [ -0.0000298600000000, 0.0000172400000000, 0.0002074800000000 ] - [ -0.0002185600000000, 0.0001261900000000, -0.0001703200000000 ] - [ 0.0000277300000000, 0.0000091600000000, 0.0001651900000000 ] - [ 0.0000059300000000, -0.0000285900000000, 0.0001651900000000 ] - [ -0.0000049800000000, 0.0000028800000000, 0.0001893000000000 ] - [ 0.0000060800000000, 0.0000053900000000, 0.0000975500000000 ] - [ -0.0000012600000000, 0.0000007300000000, 0.0000352900000000 ] - [ -0.0000018500000000, 0.0000010700000000, 0.0006396500000000 ] - [ -0.0000016200000000, -0.0000079600000000, 0.0000975500000000 ] - [ 0.0000004000000000, -0.0000001800000000, -0.0000445500000000 ] - [ -0.0000000900000000, 0.0000000500000000, -0.0000336900000000 ] - [ -0.0000000600000000, 0.0000000300000000, -0.0001100800000000 ] - [ 0.0000003600000000, -0.0000002600000000, -0.0000445500000000 ] - [ -0.0000039100000000, 0.0000022600000000, -0.0005550900000000 ] - [ -0.0000611700000000, 0.0001834400000000, -0.0005623000000000 ] - [ -0.0001894500000000, -0.0000387500000000, -0.0005623000000000 ] - [ 0.0000293600000000, -0.0000169500000000, -0.0005396600000000 ] - [ 0.0224931100000000, -0.0129864100000000, 0.0172026700000000 ] - [ -0.0000240700000000, -0.0004177000000000, -0.0000440800000000 ] - [ 0.0003497000000000, 0.0002297000000000, -0.0000440800000000 ] - [ -0.0000013500000000, 0.0000007800000000, -0.0003805300000000 ] - [ -0.0232224400000000, 0.0134074800000000, 0.0185562300000000 ] - [ 0.0000190200000000, 0.0004142300000000, 0.0008841900000000 ] - [ -0.0003492200000000, -0.0002235900000000, 0.0008841900000000 ] - [ 0.0000036800000000, -0.0000021300000000, 0.0005471800000000 ] - [ 0.0000019400000000, -0.0000011200000000, 0.0003789800000000 ] - [ 0.0000583900000000, -0.0001825800000000, 0.0003653500000000 ] - [ 0.0001873100000000, 0.0000407200000000, 0.0003653500000000 ] - [ -0.0000328200000000, 0.0000189500000000, 0.0003890800000000 ]- atom: 25 displacement: [ -0.0049999999976516, 0.0086602540392002, 0.0000000000000000 ] forces: - [ 0.0004740500000000, -0.0002569600000000, -0.0000159300000000 ] - [ 0.0005295300000000, -0.0003286800000000, -0.0001304300000000 ] - [ 0.0003864900000000, -0.0002248300000000, 0.0000006400000000 ] - [ 0.0004287200000000, -0.0002491900000000, -0.0000070100000000 ] - [ 0.0014729200000000, 0.0045315600000000, -0.0059492900000000 ] - [ -0.0000017800000000, -0.0004769500000000, 0.0000105500000000 ] - [ 0.0000137900000000, -0.0005370400000000, 0.0001262300000000 ] - [ 0.0000357200000000, -0.0006038900000000, 0.0000766800000000 ] - [ -0.0021796300000000, -0.0000182600000000, -0.0028105800000000 ] - [ 0.0003846100000000, 0.0002364000000000, 0.0000090700000000 ] - [ 0.0004268900000000, 0.0002926100000000, 0.0000160000000000 ] - [ 0.0007985300000000, 0.0003465700000000, 0.0002199000000000 ] - [ -0.0005373900000000, -0.0003440300000000, -0.0001374200000000 ] - [ -0.0004461400000000, -0.0002422000000000, 0.0000019600000000 ] - [ -0.0003894900000000, -0.0002276800000000, 0.0000051100000000 ] - [ -0.0004237600000000, -0.0002482000000000, -0.0000097400000000 ] - [ -0.0000108100000000, 0.0004571200000000, -0.0000318100000000 ] - [ 0.0000104600000000, 0.0004388300000000, 0.0000031200000000 ] - [ 0.0000018200000000, 0.0005036700000000, -0.0000106300000000 ] - [ 0.0000017600000000, 0.0005252100000000, -0.0000305500000000 ] - [ 0.0013390300000000, -0.0028445800000000, 0.0001808800000000 ] - [ -0.0004660500000000, 0.0002889700000000, 0.0000121300000000 ] - [ -0.0007159700000000, 0.0003254300000000, 0.0002027600000000 ] - [ -0.0004155400000000, 0.0002851100000000, 0.0000078800000000 ] - [ 0.0096218900000000, -0.0613184000000000, 0.0300887800000000 ] - [ -0.0001304600000000, -0.0001979400000000, -0.0000317800000000 ] - [ -0.0000769500000000, 0.0000784700000000, -0.0000215000000000 ] - [ 0.0000675900000000, -0.0000040100000000, -0.0000057600000000 ] - [ -0.0037177200000000, 0.0066153800000000, -0.0014979300000000 ] - [ -0.0001216700000000, 0.0000061700000000, -0.0000434500000000 ] - [ -0.0013642300000000, 0.0018497400000000, 0.0000533300000000 ] - [ -0.0000857500000000, 0.0000285400000000, -0.0000577300000000 ] - [ 0.0033386500000000, 0.0024133800000000, 0.0000751100000000 ] - [ 0.0000554200000000, 0.0000642100000000, -0.0000667000000000 ] - [ 0.0000567600000000, 0.0001078000000000, -0.0000378900000000 ] - [ 0.0011941800000000, 0.0008725400000000, 0.0002226300000000 ] - [ -0.0000975200000000, -0.0000630900000000, -0.0001155400000000 ] - [ -0.0001111500000000, -0.0000573900000000, -0.0001050500000000 ] - [ -0.0001108700000000, -0.0000542600000000, -0.0001159500000000 ] - [ -0.0000916300000000, -0.0000542900000000, -0.0000969900000000 ] - [ -0.0001521500000000, -0.0000521600000000, 0.0000962500000000 ] - [ -0.0000789900000000, 0.0000563000000000, 0.0000625400000000 ] - [ -0.0001886900000000, 0.0000785200000000, 0.0001341600000000 ] - [ -0.0000862900000000, 0.0000512200000000, 0.0001148300000000 ] - [ 0.0000257000000000, 0.0000127800000000, 0.0000542400000000 ] - [ -0.0000383400000000, 0.0000512000000000, 0.0001710100000000 ] - [ -0.0000048800000000, 0.0001804000000000, 0.0000750900000000 ] - [ 0.0000066500000000, 0.0002170200000000, 0.0000137000000000 ] - [ -0.0004917000000000, -0.0002191300000000, -0.0004715000000000 ] - [ -0.0000976500000000, -0.0000667400000000, 0.0001051600000000 ] - [ -0.0000975600000000, -0.0000352900000000, 0.0001179200000000 ] - [ -0.0001015900000000, -0.0000506200000000, 0.0000695800000000 ] - [ 0.0005727500000000, -0.0001565000000000, -0.0002578100000000 ] - [ 0.0000730600000000, 0.0000574500000000, 0.0000642200000000 ] - [ 0.0000725600000000, 0.0000479000000000, 0.0001299400000000 ] - [ 0.0002101800000000, 0.0000954300000000, 0.0001346900000000 ] - [ -0.0000409500000000, -0.0003461200000000, -0.0000750000000000 ] - [ -0.0000028400000000, -0.0001624100000000, 0.0000605000000000 ] - [ -0.0000267100000000, -0.0000130800000000, 0.0001153400000000 ] - [ 0.0000331900000000, -0.0000473900000000, 0.0000864000000000 ] - [ 0.0001042800000000, -0.0000565100000000, -0.0001099100000000 ] - [ 0.0001037500000000, -0.0000660100000000, -0.0001157100000000 ] - [ 0.0001060900000000, -0.0000546500000000, -0.0001213300000000 ] - [ 0.0000938200000000, -0.0000544300000000, -0.0000941900000000 ] - [ 0.0000156200000000, 0.0000658000000000, -0.0001449300000000 ] - [ -0.0000203400000000, 0.0000857400000000, -0.0001305300000000 ] - [ -0.0000030300000000, 0.0001556600000000, -0.0000905800000000 ] - [ 0.0000008700000000, 0.0001322700000000, -0.0000893600000000 ] - [ 0.0000790600000000, -0.0000548800000000, -0.0000157300000000 ] - [ 0.0004321200000000, -0.0003977100000000, -0.0000806800000000 ] - [ 0.0001077200000000, -0.0000400100000000, 0.0001135100000000 ] - [ 0.0000958300000000, -0.0000436900000000, 0.0000704100000000 ] - [ -0.0000886800000000, 0.0001271500000000, -0.0001421800000000 ] - [ 0.0000893000000000, 0.0001152000000000, -0.0001125100000000 ] - [ 0.0000293100000000, -0.0002624500000000, 0.0000297400000000 ] - [ -0.0000116900000000, -0.0000540700000000, -0.0002109700000000 ] - [ -0.0001397900000000, 0.0019316800000000, 0.0016560400000000 ] - [ 0.0000448800000000, 0.0000221700000000, -0.0002470300000000 ] - [ 0.0001035800000000, -0.0001217500000000, -0.0001109100000000 ] - [ -0.0000945500000000, -0.0000708300000000, -0.0001418800000000 ] - [ 0.0000097100000000, 0.0000528800000000, 0.0003672400000000 ] - [ 0.0000047700000000, 0.0000067100000000, 0.0002659800000000 ] - [ 0.0000233000000000, -0.0000240400000000, 0.0002009300000000 ] - [ -0.0000237900000000, -0.0000191700000000, 0.0002092600000000 ] - [ 0.0000233900000000, 0.0002596200000000, 0.0002337900000000 ] - [ -0.0012514600000000, 0.0002944000000000, 0.0002647600000000 ] - [ -0.0000282600000000, -0.0002917400000000, 0.0000877300000000 ] - [ -0.0000137400000000, -0.0001804200000000, 0.0002099600000000 ] - [ -0.0000381700000000, 0.0000293300000000, 0.0000162400000000 ] - [ 0.0000375600000000, 0.0000068400000000, -0.0000021400000000 ] - [ 0.0000187700000000, -0.0000407900000000, 0.0000227900000000 ] - [ -0.0000219000000000, -0.0000189400000000, 0.0001017400000000 ] - [ -0.0003101100000000, -0.0000580800000000, 0.0000155300000000 ] - [ 0.0003483300000000, -0.0001565400000000, 0.0001130900000000 ] - [ 0.0000344000000000, 0.0000323100000000, -0.0000274900000000 ] - [ -0.0000901700000000, 0.0006184600000000, 0.0004096100000000 ] - [ -0.0088708600000000, 0.0429178000000000, -0.0233645100000000 ] - [ 0.0000549200000000, 0.0000782300000000, -0.0004707400000000 ] - [ 0.0005401500000000, 0.0001380100000000, -0.0010417700000000 ] - [ -0.0005980600000000, 0.0002162100000000, -0.0010366600000000 ] - [ -0.0000851800000000, -0.0000060800000000, -0.0003127300000000 ] - [ 0.0000914200000000, -0.0000374600000000, -0.0003538900000000 ] - [ 0.0000117400000000, -0.0000083700000000, -0.0004280700000000 ] - [ -0.0000039200000000, 0.0000088100000000, -0.0004182700000000 ] - [ 0.0002741000000000, 0.0004442700000000, 0.0005334700000000 ] - [ -0.0002634900000000, 0.0004375400000000, 0.0004249600000000 ] - [ -0.0000123500000000, -0.0000391700000000, 0.0004433500000000 ] - [ 0.0000076600000000, -0.0001052400000000, 0.0005224100000000 ] - [ 0.0003634300000000, 0.0026240000000000, 0.0011507500000000 ] - [ 0.0000295300000000, 0.0000091900000000, 0.0004303100000000 ] - [ -0.0000559600000000, -0.0001290400000000, 0.0003294900000000 ] - [ 0.0000160400000000, -0.0000328300000000, 0.0004072600000000 ]- atom: 25 displacement: [ 0.0049999999976516, -0.0086602540392002, 0.0000000000000000 ] forces: - [ 0.0003940500000000, -0.0002446200000000, 0.0000154400000000 ] - [ 0.0003365400000000, -0.0001713000000000, 0.0001314400000000 ] - [ 0.0004801700000000, -0.0002760000000000, 0.0000006600000000 ] - [ 0.0004387400000000, -0.0002518000000000, 0.0000075100000000 ] - [ -0.0014939000000000, -0.0055177700000000, 0.0059600100000000 ] - [ -0.0000000900000000, -0.0005246400000000, -0.0000108600000000 ] - [ -0.0000149100000000, -0.0004651200000000, -0.0001249300000000 ] - [ -0.0000374200000000, -0.0003980900000000, -0.0000782800000000 ] - [ 0.0030773100000000, 0.0005342300000000, 0.0028502500000000 ] - [ 0.0004813900000000, 0.0002653700000000, -0.0000082700000000 ] - [ 0.0004387600000000, 0.0002089700000000, -0.0000161900000000 ] - [ 0.0000698000000000, 0.0001557900000000, -0.0002178800000000 ] - [ -0.0003329200000000, -0.0001612200000000, 0.0001341400000000 ] - [ -0.0004208400000000, -0.0002609300000000, -0.0000019700000000 ] - [ -0.0004778500000000, -0.0002755700000000, -0.0000044400000000 ] - [ -0.0004433900000000, -0.0002551900000000, 0.0000095700000000 ] - [ 0.0000124000000000, 0.0005458100000000, 0.0000317600000000 ] - [ -0.0000087300000000, 0.0005622800000000, -0.0000011700000000 ] - [ -0.0000000500000000, 0.0004994000000000, 0.0000122500000000 ] - [ 0.0000002900000000, 0.0004775900000000, 0.0000311600000000 ] - [ -0.0022117500000000, 0.0033853700000000, -0.0001833700000000 ] - [ -0.0004004500000000, 0.0002109500000000, -0.0000119300000000 ] - [ -0.0001522700000000, 0.0001745600000000, -0.0002007400000000 ] - [ -0.0004489900000000, 0.0002136900000000, -0.0000087600000000 ] - [ -0.0096046600000000, 0.0626617500000000, -0.0314897100000000 ] - [ 0.0001319700000000, -0.0000623800000000, -0.0001206700000000 ] - [ 0.0000786500000000, -0.0003389300000000, -0.0001293300000000 ] - [ -0.0000648000000000, -0.0002567900000000, -0.0001456400000000 ] - [ 0.0035980100000000, -0.0066886600000000, 0.0013856900000000 ] - [ -0.0001041600000000, 0.0001235900000000, -0.0001103400000000 ] - [ 0.0011093800000000, -0.0016737000000000, -0.0002056900000000 ] - [ -0.0001415900000000, 0.0001021600000000, -0.0000949200000000 ] - [ -0.0031490100000000, -0.0022893100000000, -0.0002260100000000 ] - [ 0.0001694800000000, 0.0000638100000000, -0.0000872500000000 ] - [ 0.0001697800000000, 0.0000205900000000, -0.0001150000000000 ] - [ -0.0009557100000000, -0.0007434500000000, -0.0003693900000000 ] - [ -0.0001292800000000, -0.0000656300000000, -0.0000370700000000 ] - [ -0.0001151700000000, -0.0000709200000000, -0.0000476200000000 ] - [ -0.0001146400000000, -0.0000735200000000, -0.0000374400000000 ] - [ -0.0001341600000000, -0.0000739200000000, -0.0000559500000000 ] - [ -0.0000768900000000, 0.0001854700000000, 0.0000526200000000 ] - [ -0.0001477300000000, 0.0000746600000000, 0.0000902300000000 ] - [ -0.0000379700000000, 0.0000519900000000, 0.0000190900000000 ] - [ -0.0001398100000000, 0.0000791800000000, 0.0000385200000000 ] - [ -0.0000268700000000, 0.0002452300000000, 0.0000992300000000 ] - [ 0.0000348100000000, 0.0002094100000000, -0.0000169000000000 ] - [ 0.0000026400000000, 0.0000810900000000, 0.0000769600000000 ] - [ -0.0000086500000000, 0.0000435800000000, 0.0001383700000000 ] - [ 0.0002621300000000, 0.0000850700000000, 0.0006211000000000 ] - [ -0.0001296100000000, -0.0000624100000000, 0.0000486500000000 ] - [ -0.0001297000000000, -0.0000928300000000, 0.0000358100000000 ] - [ -0.0001245400000000, -0.0000778700000000, 0.0000841700000000 ] - [ -0.0003477300000000, 0.0002875600000000, 0.0004101400000000 ] - [ 0.0001540500000000, 0.0000710800000000, 0.0000874100000000 ] - [ 0.0001539600000000, 0.0000800900000000, 0.0000227800000000 ] - [ 0.0000172000000000, 0.0000326200000000, 0.0000175900000000 ] - [ 0.0000429000000000, 0.0000774500000000, 0.0002180500000000 ] - [ 0.0000048500000000, -0.0000987600000000, 0.0000926300000000 ] - [ 0.0000285900000000, -0.0002469000000000, 0.0000380800000000 ] - [ -0.0000307700000000, -0.0002129400000000, 0.0000665700000000 ] - [ 0.0001219900000000, -0.0000743700000000, -0.0000438200000000 ] - [ 0.0001219600000000, -0.0000646300000000, -0.0000383900000000 ] - [ 0.0001190600000000, -0.0000755800000000, -0.0000332500000000 ] - [ 0.0001315500000000, -0.0000760800000000, -0.0000599500000000 ] - [ -0.0000173100000000, 0.0001942300000000, -0.0000087100000000 ] - [ 0.0000182800000000, 0.0001736100000000, -0.0000235500000000 ] - [ 0.0000009900000000, 0.0001028700000000, -0.0000641900000000 ] - [ -0.0000028300000000, 0.0001267300000000, -0.0000648100000000 ] - [ 0.0001457400000000, -0.0000751100000000, 0.0001697400000000 ] - [ -0.0002101500000000, 0.0002623400000000, 0.0002435300000000 ] - [ 0.0001196000000000, -0.0000904500000000, 0.0000402100000000 ] - [ 0.0001303300000000, -0.0000869600000000, 0.0000833400000000 ] - [ 0.0000888400000000, -0.0001269700000000, -0.0002688700000000 ] - [ -0.0000891300000000, -0.0001152700000000, -0.0002981400000000 ] - [ -0.0000293500000000, 0.0002611600000000, -0.0004384600000000 ] - [ 0.0000114000000000, 0.0000538900000000, -0.0001996500000000 ] - [ 0.0001315700000000, -0.0019538000000000, -0.0021125400000000 ] - [ -0.0000437600000000, -0.0000222800000000, -0.0001633400000000 ] - [ -0.0001025100000000, 0.0001205100000000, -0.0002986200000000 ] - [ 0.0000946400000000, 0.0000709600000000, -0.0002684000000000 ] - [ -0.0000102300000000, -0.0000535600000000, 0.0000432800000000 ] - [ -0.0000041500000000, -0.0000072200000000, 0.0001445900000000 ] - [ -0.0000230500000000, 0.0000232100000000, 0.0002094300000000 ] - [ 0.0000238100000000, 0.0000188600000000, 0.0002011500000000 ] - [ -0.0000401100000000, -0.0002592100000000, 0.0001738400000000 ] - [ 0.0012824600000000, -0.0002885200000000, 0.0001424600000000 ] - [ 0.0000293000000000, 0.0002887000000000, 0.0003214600000000 ] - [ 0.0000127900000000, 0.0001793200000000, 0.0002007100000000 ] - [ 0.0000373900000000, -0.0000288300000000, -0.0000164900000000 ] - [ -0.0000377600000000, -0.0000072400000000, 0.0000017400000000 ] - [ -0.0000184600000000, 0.0000405900000000, -0.0000228300000000 ] - [ 0.0000202700000000, 0.0000191500000000, -0.0001017200000000 ] - [ 0.0003076700000000, 0.0000570900000000, -0.0000142700000000 ] - [ -0.0003448600000000, 0.0001543600000000, -0.0001139300000000 ] - [ -0.0000330700000000, -0.0000330500000000, 0.0000273700000000 ] - [ 0.0000913400000000, -0.0005958700000000, -0.0003752500000000 ] - [ 0.0088139700000000, -0.0443674300000000, 0.0235785500000000 ] - [ -0.0000568900000000, -0.0000768300000000, -0.0004615400000000 ] - [ -0.0005351000000000, -0.0001326900000000, 0.0001026000000000 ] - [ 0.0005921100000000, -0.0002137000000000, 0.0001020000000000 ] - [ 0.0000865200000000, 0.0000037100000000, -0.0006237000000000 ] - [ -0.0000891400000000, 0.0000355800000000, -0.0005785800000000 ] - [ -0.0000091200000000, 0.0000066600000000, -0.0005047300000000 ] - [ 0.0000065500000000, -0.0000101400000000, -0.0005155000000000 ] - [ -0.0002672500000000, -0.0004393100000000, 0.0004035000000000 ] - [ 0.0002681600000000, -0.0004398800000000, 0.0005069400000000 ] - [ 0.0000148500000000, 0.0000364500000000, 0.0004912600000000 ] - [ -0.0000051100000000, 0.0001024100000000, 0.0004125600000000 ] - [ -0.0003853400000000, -0.0026538300000000, -0.0001805800000000 ] - [ -0.0000317900000000, -0.0000082100000000, 0.0005026200000000 ] - [ 0.0000510800000000, 0.0001302700000000, 0.0005992600000000 ] - [ -0.0000186300000000, 0.0000351300000000, 0.0005215200000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0005048700000000, -0.0002994600000000, 0.0000388600000000 ] - [ 0.0003632900000000, -0.0001820800000000, 0.0001380800000000 ] - [ 0.0004561900000000, -0.0002619000000000, 0.0000448700000000 ] - [ 0.0004594600000000, -0.0002640700000000, 0.0000204700000000 ] - [ 0.0000000000000000, -0.0080857400000000, 0.0050243000000000 ] - [ -0.0000000000000000, -0.0004857900000000, -0.0000247500000000 ] - [ -0.0000013400000000, -0.0003947400000000, 0.0000110300000000 ] - [ 0.0000013400000000, -0.0003947400000000, 0.0000110300000000 ] - [ 0.0038334800000000, -0.0021797900000000, 0.0036615300000000 ] - [ 0.0003993700000000, 0.0002076800000000, -0.0000597800000000 ] - [ 0.0003733700000000, 0.0002560000000000, -0.0000169200000000 ] - [ 0.0000773800000000, 0.0001502900000000, -0.0002260200000000 ] - [ -0.0003632900000000, -0.0001820800000000, 0.0001380800000000 ] - [ -0.0005048700000000, -0.0002994600000000, 0.0000388600000000 ] - [ -0.0004561900000000, -0.0002619000000000, 0.0000448700000000 ] - [ -0.0004594600000000, -0.0002640700000000, 0.0000204700000000 ] - [ 0.0000118000000000, 0.0005358100000000, 0.0000690600000000 ] - [ -0.0000118000000000, 0.0005358100000000, 0.0000690600000000 ] - [ 0.0000000000000000, 0.0006253100000000, 0.0000396000000000 ] - [ 0.0000000000000000, 0.0005236900000000, 0.0000348400000000 ] - [ -0.0038334800000000, -0.0021797900000000, 0.0036615300000000 ] - [ -0.0003993700000000, 0.0002076800000000, -0.0000597800000000 ] - [ -0.0000773800000000, 0.0001502900000000, -0.0002260200000000 ] - [ -0.0003733700000000, 0.0002560000000000, -0.0000169200000000 ] - [ 0.0000000000000000, 0.0360437400000000, -0.0482276700000000 ] - [ 0.0000000000000000, -0.0000787800000000, -0.0001756400000000 ] - [ 0.0000159300000000, -0.0000578300000000, -0.0001810100000000 ] - [ -0.0000159300000000, -0.0000578300000000, -0.0001810100000000 ] - [ 0.0000328500000000, 0.0018343900000000, -0.0021822200000000 ] - [ -0.0000745100000000, 0.0000658000000000, -0.0001602300000000 ] - [ 0.0001845100000000, 0.0000815900000000, -0.0006420200000000 ] - [ -0.0001019200000000, 0.0000314200000000, -0.0001609200000000 ] - [ -0.0000328500000000, 0.0018343900000000, -0.0021822200000000 ] - [ 0.0000745100000000, 0.0000658000000000, -0.0001602300000000 ] - [ 0.0001019200000000, 0.0000314200000000, -0.0001609200000000 ] - [ -0.0001845100000000, 0.0000815900000000, -0.0006420200000000 ] - [ -0.0001529100000000, -0.0000868900000000, 0.0000137000000000 ] - [ -0.0001529200000000, -0.0000931900000000, 0.0000094900000000 ] - [ -0.0001420700000000, -0.0000864500000000, 0.0000094100000000 ] - [ -0.0001344800000000, -0.0000730400000000, -0.0000253200000000 ] - [ 0.0002154000000000, 0.0002865200000000, -0.0000811500000000 ] - [ -0.0001698900000000, 0.0000796400000000, 0.0000890000000000 ] - [ -0.0001740900000000, 0.0000986200000000, 0.0001502800000000 ] - [ -0.0001040700000000, 0.0000567500000000, 0.0000899400000000 ] - [ 0.0001168600000000, 0.0001696400000000, 0.0001069000000000 ] - [ -0.0001168600000000, 0.0001696400000000, 0.0001069000000000 ] - [ 0.0000000000000000, 0.0001291600000000, 0.0000743900000000 ] - [ 0.0000000000000000, 0.0000575600000000, 0.0000941000000000 ] - [ 0.0004289900000000, -0.0001912500000000, 0.0007649900000000 ] - [ -0.0001532000000000, -0.0000826800000000, 0.0000985300000000 ] - [ -0.0001408400000000, 0.0000590300000000, 0.0000982000000000 ] - [ -0.0001048500000000, -0.0000609600000000, 0.0000739900000000 ] - [ -0.0002154000000000, 0.0002865200000000, -0.0000811500000000 ] - [ 0.0001698900000000, 0.0000796400000000, 0.0000890000000000 ] - [ 0.0001040700000000, 0.0000567500000000, 0.0000899400000000 ] - [ 0.0001740900000000, 0.0000986200000000, 0.0001502800000000 ] - [ 0.0000000000000000, 0.0000322500000000, 0.0004602900000000 ] - [ 0.0000000000000000, -0.0001152700000000, 0.0000993400000000 ] - [ 0.0000288300000000, -0.0001606000000000, 0.0001141500000000 ] - [ -0.0000288300000000, -0.0001606000000000, 0.0001141500000000 ] - [ 0.0001529200000000, -0.0000931900000000, 0.0000094900000000 ] - [ 0.0001529100000000, -0.0000868900000000, 0.0000137000000000 ] - [ 0.0001420700000000, -0.0000864500000000, 0.0000094100000000 ] - [ 0.0001344800000000, -0.0000730400000000, -0.0000253200000000 ] - [ -0.0000145700000000, 0.0002006300000000, 0.0000136700000000 ] - [ 0.0000145700000000, 0.0002006300000000, 0.0000136700000000 ] - [ 0.0000000000000000, 0.0001454800000000, 0.0000126300000000 ] - [ 0.0000000000000000, 0.0001450800000000, -0.0000243600000000 ] - [ 0.0001532000000000, -0.0000826800000000, 0.0000985300000000 ] - [ -0.0004289900000000, -0.0001912500000000, 0.0007649900000000 ] - [ 0.0001408400000000, 0.0000590300000000, 0.0000982000000000 ] - [ 0.0001048500000000, -0.0000609600000000, 0.0000739900000000 ] - [ 0.0001058300000000, -0.0000926900000000, -0.0003635300000000 ] - [ -0.0001058300000000, -0.0000926900000000, -0.0003635300000000 ] - [ 0.0000000000000000, 0.0002704300000000, -0.0005576000000000 ] - [ 0.0000000000000000, -0.0000097300000000, -0.0002698200000000 ] - [ 0.0000000000000000, 0.0014690200000000, 0.0019576400000000 ] - [ 0.0000000000000000, -0.0000294400000000, -0.0001346500000000 ] - [ -0.0000384200000000, 0.0000693300000000, -0.0001633800000000 ] - [ 0.0000384200000000, 0.0000693300000000, -0.0001633800000000 ] - [ 0.0000000000000000, -0.0000412300000000, -0.0000487600000000 ] - [ 0.0000000000000000, -0.0000208400000000, 0.0000968200000000 ] - [ 0.0000048900000000, 0.0000189800000000, 0.0001020800000000 ] - [ -0.0000048900000000, 0.0000189800000000, 0.0001020800000000 ] - [ -0.0004700100000000, 0.0001097700000000, 0.0005366800000000 ] - [ 0.0004700100000000, 0.0001097700000000, 0.0005366800000000 ] - [ 0.0000000000000000, -0.0000432600000000, 0.0004104400000000 ] - [ 0.0000000000000000, 0.0000389300000000, 0.0002790300000000 ] - [ -0.0000153100000000, -0.0000423300000000, -0.0000659000000000 ] - [ 0.0000153100000000, -0.0000423300000000, -0.0000659000000000 ] - [ 0.0000000000000000, 0.0000324000000000, -0.0000391200000000 ] - [ 0.0000000000000000, 0.0000646400000000, -0.0001396900000000 ] - [ 0.0002574300000000, 0.0000790600000000, 0.0001868000000000 ] - [ -0.0002574300000000, 0.0000790600000000, 0.0001868000000000 ] - [ 0.0000000000000000, 0.0000130000000000, 0.0000400600000000 ] - [ -0.0000000000000000, 0.0016872800000000, 0.0023552500000000 ] - [ -0.0000000000000000, -0.0278250000000000, 0.0334637300000000 ] - [ 0.0000000000000000, 0.0000530200000000, -0.0002782700000000 ] - [ -0.0003437600000000, -0.0001544300000000, 0.0000435900000000 ] - [ 0.0003437600000000, -0.0001544300000000, 0.0000435900000000 ] - [ 0.0000643300000000, 0.0000161900000000, -0.0007098700000000 ] - [ -0.0000643300000000, 0.0000161900000000, -0.0007098700000000 ] - [ 0.0000000000000000, -0.0000278600000000, -0.0006456900000000 ] - [ 0.0000000000000000, -0.0000140400000000, -0.0005708400000000 ] - [ -0.0002984100000000, -0.0003262400000000, 0.0004128400000000 ] - [ 0.0002984100000000, -0.0003262400000000, 0.0004128400000000 ] - [ 0.0000000000000000, -0.0001007600000000, 0.0004000600000000 ] - [ 0.0000000000000000, 0.0000543300000000, 0.0004073700000000 ] - [ 0.0000000000000000, -0.0030011700000000, 0.0006680300000000 ] - [ 0.0000000000000000, -0.0000598300000000, 0.0005398400000000 ] - [ 0.0000356400000000, -0.0000398000000000, 0.0004796900000000 ] - [ -0.0000356400000000, -0.0000398000000000, 0.0004796900000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003675900000000, -0.0002052600000000, -0.0000396000000000 ] - [ 0.0005118700000000, -0.0003244200000000, -0.0001409300000000 ] - [ 0.0004160900000000, -0.0002429100000000, -0.0000434900000000 ] - [ 0.0004140000000000, -0.0002415800000000, -0.0000214700000000 ] - [ 0.0000000000000000, 0.0070068100000000, -0.0050061200000000 ] - [ 0.0000000000000000, -0.0005226000000000, 0.0000267100000000 ] - [ 0.0000015700000000, -0.0006150200000000, -0.0000101600000000 ] - [ -0.0000015700000000, -0.0006150200000000, -0.0000101600000000 ] - [ -0.0028928700000000, 0.0026163500000000, -0.0035870300000000 ] - [ 0.0004737100000000, 0.0002973900000000, 0.0000622900000000 ] - [ 0.0004984300000000, 0.0002485500000000, 0.0000180500000000 ] - [ 0.0007966900000000, 0.0003550400000000, 0.0002284000000000 ] - [ -0.0005118700000000, -0.0003244200000000, -0.0001409300000000 ] - [ -0.0003675900000000, -0.0002052600000000, -0.0000396000000000 ] - [ -0.0004160900000000, -0.0002429100000000, -0.0000434900000000 ] - [ -0.0004140000000000, -0.0002415800000000, -0.0000214700000000 ] - [ -0.0000120700000000, 0.0004732900000000, -0.0000694100000000 ] - [ 0.0000120700000000, 0.0004732900000000, -0.0000694100000000 ] - [ 0.0000000000000000, 0.0003823100000000, -0.0000377800000000 ] - [ -0.0000000000000000, 0.0004868100000000, -0.0000353700000000 ] - [ 0.0028928700000000, 0.0026163500000000, -0.0035870300000000 ] - [ -0.0004737100000000, 0.0002973900000000, 0.0000622900000000 ] - [ -0.0007966900000000, 0.0003550400000000, 0.0002284000000000 ] - [ -0.0004984300000000, 0.0002485500000000, 0.0000180500000000 ] - [ -0.0000000000000000, -0.0350589000000000, 0.0473447600000000 ] - [ 0.0000000000000000, -0.0001824100000000, 0.0000237400000000 ] - [ -0.0000161700000000, -0.0002028200000000, 0.0000294500000000 ] - [ 0.0000161700000000, -0.0002028200000000, 0.0000294500000000 ] - [ -0.0002707000000000, -0.0016675700000000, 0.0020264200000000 ] - [ -0.0001514400000000, 0.0000638600000000, 0.0000072800000000 ] - [ -0.0004091100000000, 0.0000398800000000, 0.0004917100000000 ] - [ -0.0001253700000000, 0.0000984700000000, 0.0000080800000000 ] - [ 0.0002707000000000, -0.0016675700000000, 0.0020264200000000 ] - [ 0.0001514400000000, 0.0000638600000000, 0.0000072800000000 ] - [ 0.0001253700000000, 0.0000984700000000, 0.0000080800000000 ] - [ 0.0004091100000000, 0.0000398800000000, 0.0004917100000000 ] - [ -0.0000732600000000, -0.0000426200000000, -0.0001664800000000 ] - [ -0.0000732600000000, -0.0000360800000000, -0.0001621800000000 ] - [ -0.0000832100000000, -0.0000421700000000, -0.0001625400000000 ] - [ -0.0000920900000000, -0.0000565800000000, -0.0001267300000000 ] - [ -0.0004505900000000, -0.0001506500000000, 0.0002180600000000 ] - [ -0.0000603300000000, 0.0000523600000000, 0.0000599900000000 ] - [ -0.0000551300000000, 0.0000319600000000, 0.0000001500000000 ] - [ -0.0001248900000000, 0.0000739400000000, 0.0000605400000000 ] - [ -0.0001174500000000, 0.0000901300000000, 0.0000457300000000 ] - [ 0.0001174500000000, 0.0000901300000000, 0.0000457300000000 ] - [ 0.0000000000000000, 0.0001337300000000, 0.0000765700000000 ] - [ 0.0000000000000000, 0.0002033700000000, 0.0000580100000000 ] - [ -0.0006670200000000, 0.0000648700000000, -0.0006262600000000 ] - [ -0.0000730200000000, -0.0000466400000000, 0.0000548500000000 ] - [ -0.0000863400000000, -0.0001906000000000, 0.0000545000000000 ] - [ -0.0001209500000000, -0.0000682400000000, 0.0000797500000000 ] - [ 0.0004505900000000, -0.0001506500000000, 0.0002180600000000 ] - [ 0.0000603300000000, 0.0000523600000000, 0.0000599900000000 ] - [ 0.0001248900000000, 0.0000739400000000, 0.0000605400000000 ] - [ 0.0000551300000000, 0.0000319600000000, 0.0000001500000000 ] - [ 0.0000000000000000, -0.0003040800000000, -0.0003102400000000 ] - [ 0.0000000000000000, -0.0001495200000000, 0.0000505100000000 ] - [ -0.0000288700000000, -0.0001021200000000, 0.0000366600000000 ] - [ 0.0000288700000000, -0.0001021200000000, 0.0000366600000000 ] - [ 0.0000732600000000, -0.0000360800000000, -0.0001621800000000 ] - [ 0.0000732600000000, -0.0000426200000000, -0.0001664800000000 ] - [ 0.0000832100000000, -0.0000421700000000, -0.0001625400000000 ] - [ 0.0000920900000000, -0.0000565800000000, -0.0001267300000000 ] - [ 0.0000149900000000, 0.0000589100000000, -0.0001671700000000 ] - [ -0.0000149900000000, 0.0000589100000000, -0.0001671700000000 ] - [ 0.0000000000000000, 0.0001131600000000, -0.0001664200000000 ] - [ 0.0000000000000000, 0.0001154000000000, -0.0001282900000000 ] - [ 0.0000730200000000, -0.0000466400000000, 0.0000548500000000 ] - [ 0.0006670200000000, 0.0000648700000000, -0.0006262600000000 ] - [ 0.0000863400000000, -0.0001906000000000, 0.0000545000000000 ] - [ 0.0001209500000000, -0.0000682400000000, 0.0000797500000000 ] - [ -0.0001078500000000, 0.0000936100000000, -0.0000461400000000 ] - [ 0.0001078500000000, 0.0000936100000000, -0.0000461400000000 ] - [ 0.0000000000000000, -0.0002715600000000, 0.0001462100000000 ] - [ 0.0000000000000000, 0.0000098400000000, -0.0001411500000000 ] - [ 0.0000000000000000, -0.0015529100000000, -0.0024774500000000 ] - [ 0.0000000000000000, 0.0000297700000000, -0.0002779500000000 ] - [ 0.0000391100000000, -0.0000703400000000, -0.0002487900000000 ] - [ -0.0000391100000000, -0.0000703400000000, -0.0002487900000000 ] - [ 0.0000000000000000, 0.0000410200000000, 0.0004628100000000 ] - [ 0.0000000000000000, 0.0000208200000000, 0.0003155200000000 ] - [ -0.0000048400000000, -0.0000194600000000, 0.0003098600000000 ] - [ 0.0000048400000000, -0.0000194600000000, 0.0003098600000000 ] - [ 0.0004750200000000, -0.0001061300000000, -0.0001288200000000 ] - [ -0.0004750200000000, -0.0001061300000000, -0.0001288200000000 ] - [ 0.0000000000000000, 0.0000398900000000, -0.0000007000000000 ] - [ 0.0000000000000000, -0.0000397900000000, 0.0001315000000000 ] - [ 0.0000152500000000, 0.0000430600000000, 0.0000660700000000 ] - [ -0.0000152500000000, 0.0000430600000000, 0.0000660700000000 ] - [ 0.0000000000000000, -0.0000326400000000, 0.0000391200000000 ] - [ 0.0000000000000000, -0.0000648600000000, 0.0001408700000000 ] - [ -0.0002601700000000, -0.0000816700000000, -0.0001853600000000 ] - [ 0.0002601700000000, -0.0000816700000000, -0.0001853600000000 ] - [ 0.0000000000000000, -0.0000129900000000, -0.0000400500000000 ] - [ -0.0000000000000000, -0.0016082000000000, -0.0022790900000000 ] - [ 0.0000000000000000, 0.0267298600000000, -0.0337522400000000 ] - [ 0.0000000000000000, -0.0000509500000000, -0.0006604900000000 ] - [ 0.0003475300000000, 0.0001558700000000, -0.0009812800000000 ] - [ -0.0003475300000000, 0.0001558700000000, -0.0009812800000000 ] - [ -0.0000651700000000, -0.0000179800000000, -0.0002249200000000 ] - [ 0.0000651700000000, -0.0000179800000000, -0.0002249200000000 ] - [ 0.0000000000000000, 0.0000275700000000, -0.0002859100000000 ] - [ 0.0000000000000000, 0.0000129900000000, -0.0003675700000000 ] - [ 0.0003040600000000, 0.0003303300000000, 0.0005234600000000 ] - [ -0.0003040600000000, 0.0003303300000000, 0.0005234600000000 ] - [ 0.0000000000000000, 0.0000997900000000, 0.0005373800000000 ] - [ 0.0000000000000000, -0.0000573100000000, 0.0005304700000000 ] - [ 0.0000000000000000, 0.0029999400000000, 0.0002718900000000 ] - [ 0.0000000000000000, 0.0000603000000000, 0.0004041400000000 ] - [ -0.0000356600000000, 0.0000406800000000, 0.0004607800000000 ] - [ 0.0000356600000000, 0.0000406800000000, 0.0004607800000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006695400000000, -0.0003710500000000, 0.0002168900000000 ] - [ 0.0003615300000000, -0.0002043400000000, -0.0000325200000000 ] - [ 0.0004015200000000, -0.0002336400000000, -0.0000057600000000 ] - [ 0.0004527700000000, -0.0002660300000000, 0.0000030100000000 ] - [ 0.0000156200000000, -0.0001606600000000, 0.0003585000000000 ] - [ 0.0000155400000000, -0.0008380200000000, -0.0003539300000000 ] - [ -0.0002562200000000, -0.0004976200000000, -0.0000031800000000 ] - [ 0.0000120800000000, -0.0004995100000000, 0.0000088900000000 ] - [ 0.0002864600000000, 0.0001734300000000, 0.0001860800000000 ] - [ 0.0000465200000000, 0.0001741300000000, 0.0004052900000000 ] - [ 0.0005919100000000, 0.0003171000000000, -0.0001750600000000 ] - [ 0.0004441800000000, 0.0002499700000000, 0.0000393500000000 ] - [ -0.0001973200000000, -0.0001305500000000, -0.0002212600000000 ] - [ -0.0005034200000000, -0.0002967300000000, 0.0000238200000000 ] - [ -0.0004134400000000, -0.0002351800000000, -0.0000049500000000 ] - [ -0.0004646100000000, -0.0002672100000000, 0.0000043100000000 ] - [ 0.0000278500000000, 0.0005019900000000, -0.0000011600000000 ] - [ -0.0000070300000000, 0.0005003100000000, -0.0000040500000000 ] - [ 0.0000033800000000, 0.0005496100000000, 0.0000226500000000 ] - [ 0.0000028900000000, 0.0004517200000000, -0.0000235700000000 ] - [ -0.0008184000000000, 0.0003238600000000, -0.0004095600000000 ] - [ -0.0005807400000000, 0.0003286400000000, -0.0001830100000000 ] - [ -0.0002710100000000, 0.0001824900000000, 0.0001683200000000 ] - [ -0.0004190100000000, 0.0002494000000000, -0.0000209700000000 ] - [ 0.0000011600000000, -0.0002387400000000, 0.0000349700000000 ] - [ 0.0000010100000000, -0.0000264100000000, -0.0001836700000000 ] - [ -0.0000571900000000, -0.0001369400000000, -0.0000720100000000 ] - [ 0.0000244500000000, -0.0001242700000000, -0.0000793500000000 ] - [ -0.0003594000000000, 0.0001737500000000, 0.0001622300000000 ] - [ 0.0000421900000000, -0.0000125900000000, -0.0002112800000000 ] - [ -0.0000639400000000, 0.0000250800000000, -0.0000994800000000 ] - [ -0.0001488200000000, 0.0000992500000000, -0.0000884700000000 ] - [ 0.0002724300000000, 0.0001444700000000, 0.0000618100000000 ] - [ -0.0001291200000000, -0.0000420900000000, -0.0003120500000000 ] - [ 0.0001743200000000, 0.0001111700000000, -0.0000450500000000 ] - [ 0.0000671300000000, 0.0000240200000000, -0.0000715000000000 ] - [ 0.0016431500000000, 0.0007955400000000, 0.0012572700000000 ] - [ -0.0002763200000000, -0.0001030600000000, 0.0000081800000000 ] - [ -0.0001179300000000, -0.0000158800000000, -0.0001005000000000 ] - [ -0.0001313600000000, -0.0001200300000000, -0.0000320400000000 ] - [ -0.0003508900000000, 0.0002363600000000, 0.0001125500000000 ] - [ 0.0000840600000000, 0.0006177400000000, -0.0002579300000000 ] - [ 0.0007795300000000, 0.0003082500000000, 0.0002193400000000 ] - [ -0.0002738400000000, 0.0001735200000000, 0.0000342600000000 ] - [ -0.0000207900000000, 0.0001310300000000, 0.0000757500000000 ] - [ -0.0000093300000000, 0.0001293100000000, 0.0000762700000000 ] - [ -0.0000003900000000, 0.0001615900000000, 0.0000779300000000 ] - [ -0.0000003400000000, 0.0001042300000000, 0.0000701300000000 ] - [ -0.0000726800000000, -0.0000294400000000, 0.0001120200000000 ] - [ -0.0001445400000000, -0.0000779600000000, 0.0000628100000000 ] - [ -0.0001125800000000, -0.0000590200000000, 0.0000917500000000 ] - [ -0.0001187200000000, -0.0000725500000000, 0.0000566600000000 ] - [ 0.0003285300000000, -0.0005074900000000, 0.0004049400000000 ] - [ -0.0001177400000000, -0.0001022400000000, 0.0000357300000000 ] - [ 0.0009924700000000, -0.0001603800000000, -0.0000668900000000 ] - [ -0.0000243000000000, -0.0000310100000000, 0.0001019100000000 ] - [ 0.0012860900000000, 0.0006221100000000, 0.0005454900000000 ] - [ 0.0011880200000000, -0.0008835100000000, -0.0004034300000000 ] - [ 0.0000587800000000, -0.0001278600000000, 0.0000783200000000 ] - [ 0.0000279200000000, -0.0001436500000000, 0.0000683100000000 ] - [ 0.0018577200000000, -0.0009132200000000, -0.0013598600000000 ] - [ -0.0000371900000000, -0.0000338800000000, -0.0001522000000000 ] - [ 0.0001012000000000, -0.0000127800000000, -0.0001163800000000 ] - [ 0.0001140500000000, -0.0001165600000000, -0.0000482900000000 ] - [ 0.0002708300000000, 0.0001377300000000, -0.0000773100000000 ] - [ -0.0000889700000000, 0.0001372900000000, -0.0000723400000000 ] - [ -0.0000094100000000, 0.0002466200000000, -0.0000366100000000 ] - [ -0.0000094100000000, 0.0000202300000000, -0.0001126000000000 ] - [ 0.0001547500000000, -0.0001006900000000, 0.0000407600000000 ] - [ 0.0000801100000000, -0.0000505200000000, 0.0000911800000000 ] - [ 0.0001121200000000, -0.0000594800000000, 0.0000928300000000 ] - [ 0.0001183300000000, -0.0000729900000000, 0.0000573900000000 ] - [ -0.0077474300000000, -0.0000092600000000, -0.0002256800000000 ] - [ 0.0007570100000000, 0.0000002800000000, -0.0002046100000000 ] - [ 0.0001045400000000, -0.0003769400000000, -0.0001516300000000 ] - [ 0.0001042400000000, 0.0003766300000000, -0.0002577100000000 ] - [ -0.0000049200000000, 0.0000084200000000, -0.0003164600000000 ] - [ -0.0000046000000000, -0.0000082100000000, -0.0000938000000000 ] - [ 0.0000096500000000, -0.0000001700000000, -0.0002050500000000 ] - [ -0.0000037100000000, 0.0000000300000000, -0.0002047200000000 ] - [ 0.0005506900000000, -0.0005215100000000, 0.0009061200000000 ] - [ 0.0005482200000000, 0.0005168600000000, -0.0004911900000000 ] - [ -0.0003497900000000, -0.0000015300000000, 0.0002040900000000 ] - [ 0.0000562900000000, 0.0000001100000000, 0.0002051300000000 ] - [ -0.0002035900000000, 0.0000002500000000, 0.0002045400000000 ] - [ 0.0001940000000000, 0.0000001600000000, 0.0002044800000000 ] - [ -0.0000024500000000, -0.0001136700000000, 0.0001447900000000 ] - [ -0.0000025600000000, 0.0001132300000000, 0.0002643800000000 ] - [ -0.0000241500000000, 0.0000007300000000, -0.0000002100000000 ] - [ 0.0000296000000000, 0.0000000300000000, 0.0000003800000000 ] - [ 0.0000688000000000, -0.0000533900000000, -0.0001468800000000 ] - [ 0.0000677600000000, 0.0000533600000000, 0.0001469900000000 ] - [ -0.0004787000000000, 0.0000001600000000, 0.0000001500000000 ] - [ 0.0003416200000000, -0.0000006300000000, -0.0000002300000000 ] - [ 0.0001681700000000, -0.0003726200000000, 0.0003932600000000 ] - [ 0.0001683100000000, 0.0003744000000000, -0.0003957300000000 ] - [ 0.0001931600000000, 0.0001373600000000, -0.0011645600000000 ] - [ 0.0001942600000000, -0.0001318300000000, 0.0002310900000000 ] - [ 0.0004268300000000, -0.0000005700000000, -0.0004681500000000 ] - [ -0.0000611600000000, 0.0000009600000000, -0.0004584300000000 ] - [ -0.0018823900000000, -0.0000035400000000, -0.0004700500000000 ] - [ 0.0002292700000000, -0.0000007200000000, -0.0004681100000000 ] - [ 0.0000039900000000, -0.0001306200000000, -0.0004853300000000 ] - [ 0.0000045300000000, 0.0001292100000000, -0.0004439400000000 ] - [ 0.0003815800000000, -0.0000002200000000, 0.0004650000000000 ] - [ -0.0000098400000000, -0.0000008200000000, 0.0004626000000000 ] - [ 0.0000043100000000, 0.0000072400000000, 0.0004486600000000 ] - [ 0.0000040700000000, -0.0000089600000000, 0.0004813900000000 ] - [ 0.0004304700000000, -0.0010888600000000, -0.0002434000000000 ] - [ 0.0004363100000000, 0.0010801400000000, 0.0011709200000000 ] - [ -0.0014449300000000, -0.0000023600000000, 0.0004586200000000 ] - [ 0.0002368400000000, 0.0000007200000000, 0.0004735500000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002323100000000, -0.0001341200000000, -0.0003775300000000 ] - [ 0.0005114200000000, -0.0003082800000000, -0.0000374500000000 ] - [ 0.0005226900000000, -0.0002887600000000, -0.0000374500000000 ] - [ 0.0004825700000000, -0.0002786100000000, -0.0000140900000000 ] - [ 0.0000301300000000, -0.0004199600000000, 0.0000147600000000 ] - [ -0.0000301300000000, -0.0004199600000000, 0.0000147600000000 ] - [ -0.0000000000000000, 0.0004433800000000, 0.0003595200000000 ] - [ -0.0000000000000000, -0.0004371400000000, -0.0000043100000000 ] - [ 0.0003787600000000, 0.0001838900000000, 0.0000147600000000 ] - [ -0.0003839800000000, -0.0002216900000000, 0.0003595200000000 ] - [ 0.0003486300000000, 0.0002360700000000, 0.0000147600000000 ] - [ 0.0003785800000000, 0.0002185700000000, -0.0000043100000000 ] - [ -0.0002323100000000, -0.0001341200000000, -0.0003775300000000 ] - [ -0.0005114200000000, -0.0003082800000000, -0.0000374500000000 ] - [ -0.0004825700000000, -0.0002786100000000, -0.0000140900000000 ] - [ -0.0005226900000000, -0.0002887600000000, -0.0000374500000000 ] - [ 0.0000000000000000, 0.0002682400000000, -0.0003775300000000 ] - [ -0.0000000000000000, 0.0005572300000000, -0.0000140900000000 ] - [ 0.0000112700000000, 0.0005970400000000, -0.0000374500000000 ] - [ -0.0000112700000000, 0.0005970400000000, -0.0000374500000000 ] - [ 0.0003839800000000, -0.0002216900000000, 0.0003595200000000 ] - [ -0.0003787600000000, 0.0001838900000000, 0.0000147600000000 ] - [ -0.0003486300000000, 0.0002360700000000, 0.0000147600000000 ] - [ -0.0003785800000000, 0.0002185700000000, -0.0000043100000000 ] - [ 0.0000293400000000, -0.0000423900000000, -0.0002327500000000 ] - [ -0.0000293400000000, -0.0000423900000000, -0.0002327500000000 ] - [ -0.0000000000000000, 0.0001372400000000, -0.0004250300000000 ] - [ 0.0000000000000000, -0.0001469700000000, -0.0001325400000000 ] - [ 0.0001188500000000, -0.0000686200000000, -0.0004250300000000 ] - [ -0.0000513800000000, -0.0000042100000000, -0.0002327500000000 ] - [ -0.0000220400000000, 0.0000466000000000, -0.0002327500000000 ] - [ -0.0001272800000000, 0.0000734800000000, -0.0001325400000000 ] - [ 0.0000513800000000, -0.0000042100000000, -0.0002327500000000 ] - [ -0.0001188500000000, -0.0000686200000000, -0.0004250300000000 ] - [ 0.0000220400000000, 0.0000466000000000, -0.0002327500000000 ] - [ 0.0001272800000000, 0.0000734800000000, -0.0001325400000000 ] - [ 0.0018052800000000, 0.0010422800000000, 0.0021977800000000 ] - [ -0.0000198800000000, -0.0000468600000000, -0.0000306300000000 ] - [ -0.0001557500000000, -0.0000899200000000, -0.0000012600000000 ] - [ -0.0000505200000000, 0.0000062200000000, -0.0000306300000000 ] - [ 0.0000018000000000, -0.0000010400000000, 0.0002782100000000 ] - [ -0.0001458000000000, 0.0001197000000000, 0.0004059300000000 ] - [ -0.0001765600000000, 0.0000664200000000, 0.0004059300000000 ] - [ -0.0001137500000000, 0.0000656700000000, 0.0001515900000000 ] - [ -0.0000000000000000, 0.0003199600000000, -0.0001823000000000 ] - [ 0.0000000000000000, 0.0002037700000000, -0.0000362900000000 ] - [ 0.0000083300000000, 0.0001336900000000, -0.0000307600000000 ] - [ -0.0000083300000000, 0.0001336900000000, -0.0000307600000000 ] - [ -0.0002771000000000, -0.0001599800000000, -0.0001823000000000 ] - [ -0.0001116200000000, -0.0000740600000000, -0.0000307600000000 ] - [ -0.0001764700000000, -0.0001018800000000, -0.0000362900000000 ] - [ -0.0001199500000000, -0.0000596400000000, -0.0000307600000000 ] - [ 0.0001458000000000, 0.0001197000000000, 0.0004059300000000 ] - [ -0.0000018000000000, -0.0000010400000000, 0.0002782100000000 ] - [ 0.0001765600000000, 0.0000664200000000, 0.0004059300000000 ] - [ 0.0001137500000000, 0.0000656700000000, 0.0001515900000000 ] - [ -0.0000307600000000, -0.0001861100000000, 0.0004059300000000 ] - [ 0.0000307600000000, -0.0001861100000000, 0.0004059300000000 ] - [ -0.0000000000000000, 0.0000020800000000, 0.0002782100000000 ] - [ 0.0000000000000000, -0.0001313400000000, 0.0001515900000000 ] - [ -0.0018052800000000, 0.0010422800000000, 0.0021977800000000 ] - [ 0.0000198800000000, -0.0000468600000000, -0.0000306300000000 ] - [ 0.0000505200000000, 0.0000062200000000, -0.0000306300000000 ] - [ 0.0001557500000000, -0.0000899200000000, -0.0000012600000000 ] - [ 0.0000000000000000, -0.0020845600000000, 0.0021977800000000 ] - [ -0.0000000000000000, 0.0001798500000000, -0.0000012600000000 ] - [ 0.0000306400000000, 0.0000406400000000, -0.0000306300000000 ] - [ -0.0000306400000000, 0.0000406400000000, -0.0000306300000000 ] - [ 0.0002771000000000, -0.0001599800000000, -0.0001823000000000 ] - [ 0.0001116200000000, -0.0000740600000000, -0.0000307600000000 ] - [ 0.0001199500000000, -0.0000596400000000, -0.0000307600000000 ] - [ 0.0001764700000000, -0.0001018800000000, -0.0000362900000000 ] - [ -0.0000000000000000, -0.0000000000000000, -0.0127209000000000 ] - [ -0.0000000000000000, -0.0000611000000000, -0.0004279800000000 ] - [ 0.0000529100000000, 0.0000305500000000, -0.0004279800000000 ] - [ -0.0000529100000000, 0.0000305500000000, -0.0004279800000000 ] - [ 0.0001114300000000, -0.0000643300000000, 0.0000923300000000 ] - [ -0.0001114300000000, -0.0000643300000000, 0.0000923300000000 ] - [ -0.0000000000000000, 0.0001286700000000, 0.0000923300000000 ] - [ -0.0000000000000000, -0.0000000000000000, -0.0000574100000000 ] - [ 0.0006997400000000, -0.0004040000000000, -0.0000500100000000 ] - [ -0.0006997400000000, -0.0004040000000000, -0.0000500100000000 ] - [ -0.0000000000000000, 0.0008079900000000, -0.0000500100000000 ] - [ -0.0000000000000000, -0.0000000000000000, 0.0000470700000000 ] - [ -0.0000000000000000, -0.0000000000000000, 0.0006552300000000 ] - [ -0.0000000000000000, -0.0000689100000000, 0.0003812800000000 ] - [ 0.0000596800000000, 0.0000344500000000, 0.0003812800000000 ] - [ -0.0000596800000000, 0.0000344500000000, 0.0003812800000000 ] - [ 0.0000000000000000, -0.0003531200000000, 0.0002430800000000 ] - [ -0.0000000000000000, -0.0000000000000000, 0.0000262900000000 ] - [ -0.0003058100000000, 0.0001765600000000, 0.0002430800000000 ] - [ 0.0003058100000000, 0.0001765600000000, 0.0002430800000000 ] - [ 0.0000000000000000, 0.0003579700000000, 0.0001050900000000 ] - [ -0.0000000000000000, -0.0000000000000000, -0.0000264300000000 ] - [ 0.0003100100000000, -0.0001789900000000, 0.0001050900000000 ] - [ -0.0003100100000000, -0.0001789900000000, 0.0001050900000000 ] - [ -0.0006507300000000, 0.0003757000000000, 0.0002768400000000 ] - [ 0.0006507300000000, 0.0003757000000000, 0.0002768400000000 ] - [ -0.0000000000000000, -0.0007514000000000, 0.0002768400000000 ] - [ -0.0000000000000000, -0.0000000000000000, -0.0004182800000000 ] - [ -0.0000000000000000, -0.0000000000000000, 0.0017835000000000 ] - [ 0.0000000000000000, -0.0000968100000000, -0.0004146200000000 ] - [ 0.0000838400000000, 0.0000484000000000, -0.0004146200000000 ] - [ -0.0000838400000000, 0.0000484000000000, -0.0004146200000000 ] - [ -0.0000000000000000, -0.0000000000000000, 0.0014980400000000 ] - [ -0.0000000000000000, 0.0000327700000000, 0.0006369700000000 ] - [ -0.0000283800000000, -0.0000163900000000, 0.0006369700000000 ] - [ 0.0000283800000000, -0.0000163900000000, 0.0006369700000000 ] - [ -0.0005912500000000, 0.0003413600000000, 0.0001044100000000 ] - [ 0.0005912500000000, 0.0003413600000000, 0.0001044100000000 ] - [ 0.0000000000000000, -0.0006827200000000, 0.0001044100000000 ] - [ 0.0000000000000000, -0.0000000000000000, 0.0003949600000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0006369100000000, -0.0003677200000000, 0.0003698300000000 ] - [ 0.0003577000000000, -0.0001933900000000, 0.0000370300000000 ] - [ 0.0003463300000000, -0.0002130800000000, 0.0000370300000000 ] - [ 0.0003860800000000, -0.0002229000000000, 0.0000136500000000 ] - [ -0.0000302000000000, -0.0005810200000000, -0.0000189800000000 ] - [ 0.0000302000000000, -0.0005810200000000, -0.0000189800000000 ] - [ 0.0000000000000000, -0.0014370900000000, -0.0003772500000000 ] - [ -0.0000000000000000, -0.0005615900000000, -0.0000096000000000 ] - [ 0.0004880800000000, 0.0003166600000000, -0.0000189800000000 ] - [ 0.0012445600000000, 0.0007185400000000, -0.0003772500000000 ] - [ 0.0005182700000000, 0.0002643600000000, -0.0000189800000000 ] - [ 0.0004863500000000, 0.0002808000000000, -0.0000096000000000 ] - [ -0.0006369100000000, -0.0003677200000000, 0.0003698300000000 ] - [ -0.0003577000000000, -0.0001933900000000, 0.0000370300000000 ] - [ -0.0003860800000000, -0.0002229000000000, 0.0000136500000000 ] - [ -0.0003463300000000, -0.0002130800000000, 0.0000370300000000 ] - [ -0.0000000000000000, 0.0007354300000000, 0.0003698300000000 ] - [ 0.0000000000000000, 0.0004458000000000, 0.0000136500000000 ] - [ -0.0000113700000000, 0.0004064800000000, 0.0000370300000000 ] - [ 0.0000113700000000, 0.0004064800000000, 0.0000370300000000 ] - [ -0.0012445600000000, 0.0007185400000000, -0.0003772500000000 ] - [ -0.0004880800000000, 0.0003166600000000, -0.0000189800000000 ] - [ -0.0005182700000000, 0.0002643600000000, -0.0000189800000000 ] - [ -0.0004863500000000, 0.0002808000000000, -0.0000096000000000 ] - [ -0.0000297100000000, -0.0002263600000000, 0.0000844000000000 ] - [ 0.0000297100000000, -0.0002263600000000, 0.0000844000000000 ] - [ -0.0000000000000000, -0.0004070900000000, 0.0002781900000000 ] - [ 0.0000000000000000, -0.0001340900000000, -0.0000068600000000 ] - [ -0.0003525500000000, 0.0002035400000000, 0.0002781900000000 ] - [ -0.0001811800000000, 0.0001389100000000, 0.0000844000000000 ] - [ -0.0002108900000000, 0.0000874500000000, 0.0000844000000000 ] - [ -0.0001161200000000, 0.0000670400000000, -0.0000068600000000 ] - [ 0.0001811800000000, 0.0001389100000000, 0.0000844000000000 ] - [ 0.0003525500000000, 0.0002035400000000, 0.0002781900000000 ] - [ 0.0002108900000000, 0.0000874500000000, 0.0000844000000000 ] - [ 0.0001161200000000, 0.0000670400000000, -0.0000068600000000 ] - [ -0.0019694600000000, -0.0011370700000000, -0.0022345600000000 ] - [ -0.0002110800000000, -0.0000868600000000, -0.0001156200000000 ] - [ -0.0000755800000000, -0.0000436300000000, -0.0001451700000000 ] - [ -0.0001807600000000, -0.0001393700000000, -0.0001156200000000 ] - [ -0.0002279300000000, 0.0001316000000000, -0.0001280700000000 ] - [ -0.0000816700000000, 0.0000108300000000, -0.0002544300000000 ] - [ -0.0000502100000000, 0.0000653100000000, -0.0002544300000000 ] - [ -0.0001054300000000, 0.0000608700000000, 0.0000048200000000 ] - [ 0.0000000000000000, -0.0000575300000000, 0.0003334700000000 ] - [ 0.0000000000000000, 0.0000613000000000, 0.0001859000000000 ] - [ -0.0000080400000000, 0.0001313300000000, 0.0001800000000000 ] - [ 0.0000080400000000, 0.0001313300000000, 0.0001800000000000 ] - [ 0.0000498300000000, 0.0000287700000000, 0.0003334700000000 ] - [ -0.0001177600000000, -0.0000587100000000, 0.0001800000000000 ] - [ -0.0000530900000000, -0.0000306500000000, 0.0001859000000000 ] - [ -0.0001097200000000, -0.0000726300000000, 0.0001800000000000 ] - [ 0.0000816700000000, 0.0000108300000000, -0.0002544300000000 ] - [ 0.0002279300000000, 0.0001316000000000, -0.0001280700000000 ] - [ 0.0000502100000000, 0.0000653100000000, -0.0002544300000000 ] - [ 0.0001054300000000, 0.0000608700000000, 0.0000048200000000 ] - [ 0.0000314600000000, -0.0000761400000000, -0.0002544300000000 ] - [ -0.0000314600000000, -0.0000761400000000, -0.0002544300000000 ] - [ 0.0000000000000000, -0.0002631900000000, -0.0001280700000000 ] - [ 0.0000000000000000, -0.0001217400000000, 0.0000048200000000 ] - [ 0.0019694600000000, -0.0011370700000000, -0.0022345600000000 ] - [ 0.0002110800000000, -0.0000868600000000, -0.0001156200000000 ] - [ 0.0001807600000000, -0.0001393700000000, -0.0001156200000000 ] - [ 0.0000755800000000, -0.0000436300000000, -0.0001451700000000 ] - [ 0.0000000000000000, 0.0022741400000000, -0.0022345600000000 ] - [ 0.0000000000000000, 0.0000872700000000, -0.0001451700000000 ] - [ -0.0000303200000000, 0.0002262300000000, -0.0001156200000000 ] - [ 0.0000303200000000, 0.0002262300000000, -0.0001156200000000 ] - [ -0.0000498300000000, 0.0000287700000000, 0.0003334700000000 ] - [ 0.0001177600000000, -0.0000587100000000, 0.0001800000000000 ] - [ 0.0001097200000000, -0.0000726300000000, 0.0001800000000000 ] - [ 0.0000530900000000, -0.0000306500000000, 0.0001859000000000 ] - [ 0.0000000000000000, -0.0000000000000000, 0.0120011400000000 ] - [ 0.0000000000000000, 0.0000612400000000, 0.0000181300000000 ] - [ -0.0000530300000000, -0.0000306200000000, 0.0000181300000000 ] - [ 0.0000530300000000, -0.0000306200000000, 0.0000181300000000 ] - [ -0.0001111600000000, 0.0000641800000000, -0.0005016900000000 ] - [ 0.0001111600000000, 0.0000641800000000, -0.0005016900000000 ] - [ 0.0000000000000000, -0.0001283600000000, -0.0005016900000000 ] - [ 0.0000000000000000, -0.0000000000000000, -0.0003516800000000 ] - [ -0.0006974700000000, 0.0004026900000000, 0.0004577200000000 ] - [ 0.0006974700000000, 0.0004026900000000, 0.0004577200000000 ] - [ -0.0000000000000000, -0.0008053700000000, 0.0004577200000000 ] - [ 0.0000000000000000, -0.0000000000000000, 0.0003621800000000 ] - [ 0.0000000000000000, -0.0000000000000000, -0.0002453600000000 ] - [ 0.0000000000000000, 0.0000692600000000, 0.0000295200000000 ] - [ -0.0000599800000000, -0.0000346300000000, 0.0000295200000000 ] - [ 0.0000599800000000, -0.0000346300000000, 0.0000295200000000 ] - [ 0.0000000000000000, 0.0003524000000000, -0.0002431100000000 ] - [ 0.0000000000000000, -0.0000000000000000, -0.0000265200000000 ] - [ 0.0003051900000000, -0.0001762000000000, -0.0002431100000000 ] - [ -0.0003051900000000, -0.0001762000000000, -0.0002431100000000 ] - [ -0.0000000000000000, -0.0003598200000000, -0.0001032000000000 ] - [ 0.0000000000000000, -0.0000000000000000, 0.0000277500000000 ] - [ -0.0003116100000000, 0.0001799100000000, -0.0001032000000000 ] - [ 0.0003116100000000, 0.0001799100000000, -0.0001032000000000 ] - [ 0.0006533900000000, -0.0003772400000000, -0.0012146900000000 ] - [ -0.0006533900000000, -0.0003772400000000, -0.0012146900000000 ] - [ 0.0000000000000000, 0.0007544700000000, -0.0012146900000000 ] - [ 0.0000000000000000, -0.0000000000000000, -0.0005267200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026916900000000 ] - [ 0.0000000000000000, 0.0000968900000000, -0.0005124600000000 ] - [ -0.0000839100000000, -0.0000484400000000, -0.0005124600000000 ] - [ 0.0000839100000000, -0.0000484400000000, -0.0005124600000000 ] - [ 0.0000000000000000, -0.0000000000000000, -0.0005554600000000 ] - [ 0.0000000000000000, -0.0000326600000000, 0.0002934600000000 ] - [ 0.0000282900000000, 0.0000163300000000, 0.0002934600000000 ] - [ -0.0000282900000000, 0.0000163300000000, 0.0002934600000000 ] - [ 0.0005908600000000, -0.0003411300000000, 0.0008284300000000 ] - [ -0.0005908600000000, -0.0003411300000000, 0.0008284300000000 ] - [ -0.0000000000000000, 0.0006822700000000, 0.0008284300000000 ] - [ 0.0000000000000000, -0.0000000000000000, 0.0005225900000000 ]- atom: 89 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0016427300000000, 0.0004169600000000, 0.0000000000000000 ] - [ 0.0002723200000000, -0.0001820300000000, 0.0000000000000000 ] - [ 0.0001770000000000, -0.0000649400000000, 0.0000000000000000 ] - [ 0.0004915500000000, 0.0009771000000000, 0.0000000000000000 ] - [ -0.0000002400000000, -0.0005038300000000, 0.0000000000000000 ] - [ -0.0000003200000000, -0.0004810300000000, 0.0000000000000000 ] - [ -0.0000021400000000, -0.0004923600000000, 0.0000000000000000 ] - [ -0.0000057800000000, -0.0004926500000000, 0.0000000000000000 ] - [ 0.0003747900000000, 0.0002202200000000, 0.0000000000000000 ] - [ 0.0004615400000000, 0.0002704000000000, 0.0000000000000000 ] - [ 0.0003773900000000, 0.0002196800000000, 0.0000000000000000 ] - [ 0.0004744000000000, 0.0002714200000000, 0.0000000000000000 ] - [ 0.0007772600000000, -0.0008854600000000, 0.0000000000000000 ] - [ -0.0005792100000000, -0.0003106000000000, 0.0000000000000000 ] - [ -0.0003523700000000, -0.0014930500000000, 0.0000000000000000 ] - [ -0.0006743300000000, -0.0004270000000000, 0.0000000000000000 ] - [ 0.0000648300000000, 0.0004931500000000, 0.0000000000000000 ] - [ -0.0000421300000000, 0.0004920700000000, 0.0000000000000000 ] - [ 0.0023324600000000, 0.0017794100000000, 0.0000000000000000 ] - [ 0.0022162300000000, -0.0007796200000000, 0.0000000000000000 ] - [ -0.0003901400000000, 0.0002224300000000, 0.0000000000000000 ] - [ -0.0004772000000000, 0.0002727200000000, 0.0000000000000000 ] - [ -0.0004744600000000, 0.0002732600000000, 0.0000000000000000 ] - [ -0.0003776600000000, 0.0002216100000000, 0.0000000000000000 ] - [ 0.0000016200000000, -0.0001756500000000, -0.0000914600000000 ] - [ 0.0000015100000000, -0.0000885800000000, -0.0000605800000000 ] - [ -0.0000357300000000, -0.0001320600000000, -0.0000759600000000 ] - [ 0.0000435300000000, -0.0001319500000000, -0.0000761100000000 ] - [ -0.0001272300000000, 0.0000515600000000, -0.0001210300000000 ] - [ -0.0001211900000000, 0.0000944300000000, -0.0000203700000000 ] - [ -0.0001593600000000, 0.0000707400000000, -0.0000480800000000 ] - [ -0.0000702700000000, 0.0000629900000000, -0.0001056500000000 ] - [ 0.0001086800000000, 0.0000369300000000, -0.0001319300000000 ] - [ 0.0001023100000000, 0.0000797700000000, -0.0000314000000000 ] - [ 0.0000705600000000, 0.0000607300000000, -0.0001041200000000 ] - [ 0.0001592300000000, 0.0000681500000000, -0.0000468400000000 ] - [ -0.0000102400000000, -0.0000807000000000, -0.0001354400000000 ] - [ -0.0001034100000000, -0.0000200100000000, -0.0000648500000000 ] - [ -0.0004226700000000, -0.0001228600000000, 0.0001235600000000 ] - [ 0.0004463000000000, 0.0001521600000000, 0.0013341500000000 ] - [ -0.0001272300000000, 0.0000515600000000, 0.0001210300000000 ] - [ -0.0001211900000000, 0.0000944300000000, 0.0000203700000000 ] - [ -0.0001593600000000, 0.0000707400000000, 0.0000480800000000 ] - [ -0.0000702700000000, 0.0000629900000000, 0.0001056500000000 ] - [ 0.0001807500000000, 0.0001317000000000, 0.0000724300000000 ] - [ -0.0000677700000000, 0.0001320900000000, 0.0000759700000000 ] - [ -0.0000385500000000, 0.0005114700000000, -0.0001838600000000 ] - [ -0.0000389400000000, -0.0002454500000000, 0.0003335600000000 ] - [ -0.0000102400000000, -0.0000807000000000, 0.0001354400000000 ] - [ -0.0001034100000000, -0.0000200100000000, 0.0000648500000000 ] - [ -0.0004226700000000, -0.0001228600000000, -0.0001235600000000 ] - [ 0.0004463000000000, 0.0001521600000000, -0.0013341500000000 ] - [ 0.0001086800000000, 0.0000369300000000, 0.0001319300000000 ] - [ 0.0001023100000000, 0.0000797700000000, 0.0000314000000000 ] - [ 0.0000705600000000, 0.0000607300000000, 0.0001041200000000 ] - [ 0.0001592300000000, 0.0000681500000000, 0.0000468400000000 ] - [ 0.0000016200000000, -0.0001756500000000, 0.0000914600000000 ] - [ 0.0000015100000000, -0.0000885800000000, 0.0000605800000000 ] - [ -0.0000357300000000, -0.0001320600000000, 0.0000759600000000 ] - [ 0.0000435300000000, -0.0001319500000000, 0.0000761100000000 ] - [ 0.0002193600000000, -0.0000502400000000, -0.0000164600000000 ] - [ 0.0001265800000000, -0.0001116300000000, -0.0000874800000000 ] - [ 0.0006960900000000, -0.0002987200000000, -0.0015193500000000 ] - [ -0.0001934500000000, -0.0000078200000000, -0.0002749600000000 ] - [ 0.0001807500000000, 0.0001317000000000, -0.0000724300000000 ] - [ -0.0000677700000000, 0.0001320900000000, -0.0000759700000000 ] - [ -0.0000385500000000, 0.0005114700000000, 0.0001838600000000 ] - [ -0.0000389400000000, -0.0002454500000000, -0.0003335600000000 ] - [ 0.0002193600000000, -0.0000502400000000, 0.0000164600000000 ] - [ 0.0001265800000000, -0.0001116300000000, 0.0000874800000000 ] - [ 0.0006960900000000, -0.0002987200000000, 0.0015193500000000 ] - [ -0.0001934500000000, -0.0000078200000000, 0.0002749600000000 ] - [ -0.0000239700000000, -0.0000002600000000, -0.0002053600000000 ] - [ 0.0000297700000000, 0.0000000500000000, -0.0002060200000000 ] - [ 0.0000683500000000, -0.0000532100000000, -0.0005115500000000 ] - [ 0.0000685700000000, 0.0000535200000000, 0.0000995200000000 ] - [ 0.0001679600000000, 0.0003742300000000, 0.0001056400000000 ] - [ 0.0001681600000000, -0.0003728000000000, -0.0005159300000000 ] - [ 0.0003414500000000, -0.0000005600000000, -0.0002058500000000 ] - [ -0.0004788800000000, 0.0000002500000000, -0.0002062800000000 ] - [ 0.0001679600000000, 0.0003742300000000, -0.0001056400000000 ] - [ 0.0001681600000000, -0.0003728000000000, 0.0005159300000000 ] - [ 0.0003414500000000, -0.0000005600000000, 0.0002058500000000 ] - [ -0.0004788800000000, 0.0000002500000000, 0.0002062800000000 ] - [ -0.0000239700000000, -0.0000002600000000, 0.0002053600000000 ] - [ 0.0000297700000000, 0.0000000500000000, 0.0002060200000000 ] - [ 0.0000683500000000, -0.0000532100000000, 0.0005115500000000 ] - [ 0.0000685700000000, 0.0000535200000000, -0.0000995200000000 ] - [ -0.0103965300000000, 0.0000195600000000, 0.0000000000000000 ] - [ 0.0008318000000000, 0.0000004400000000, 0.0000000000000000 ] - [ 0.0000840200000000, -0.0004321800000000, 0.0000000000000000 ] - [ 0.0000835000000000, 0.0004316000000000, 0.0000000000000000 ] - [ -0.0000683400000000, -0.0000000900000000, 0.0000000000000000 ] - [ 0.0000649300000000, -0.0000001400000000, 0.0000000000000000 ] - [ 0.0000008600000000, -0.0000372200000000, 0.0000000000000000 ] - [ 0.0000008000000000, 0.0000368000000000, 0.0000000000000000 ] - [ 0.0000219100000000, 0.0000257800000000, -0.0004350100000000 ] - [ 0.0000217200000000, -0.0000244200000000, -0.0004838000000000 ] - [ 0.0000384900000000, 0.0000006800000000, -0.0004593900000000 ] - [ -0.0000218200000000, 0.0000007800000000, -0.0004594100000000 ] - [ -0.0007493100000000, -0.0000041800000000, -0.0004589900000000 ] - [ 0.0000959100000000, -0.0000006800000000, -0.0004579600000000 ] - [ 0.0005151200000000, -0.0007351400000000, -0.0010029100000000 ] - [ 0.0005250900000000, 0.0007306000000000, 0.0000777600000000 ] - [ -0.0007493100000000, -0.0000041800000000, 0.0004589900000000 ] - [ 0.0000959100000000, -0.0000006800000000, 0.0004579600000000 ] - [ 0.0005151200000000, -0.0007351400000000, 0.0010029100000000 ] - [ 0.0005250900000000, 0.0007306000000000, -0.0000777600000000 ] - [ 0.0000219100000000, 0.0000257800000000, 0.0004350100000000 ] - [ 0.0000217200000000, -0.0000244200000000, 0.0004838000000000 ] - [ 0.0000384900000000, 0.0000006800000000, 0.0004593900000000 ] - [ -0.0000218200000000, 0.0000007800000000, 0.0004594100000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0004279600000000, -0.0002498600000000, 0.0000943600000000 ] - [ 0.0004309200000000, -0.0002487900000000, 0.0000416900000000 ] - [ 0.0004285000000000, -0.0002474000000000, 0.0006360500000000 ] - [ 0.0004303600000000, -0.0002457000000000, 0.0000943600000000 ] - [ 0.0000000200000000, -0.0004933200000000, -0.0000453100000000 ] - [ -0.0000000200000000, -0.0004933200000000, -0.0000453100000000 ] - [ -0.0000000000000000, -0.0004944800000000, -0.0000313100000000 ] - [ -0.0000000000000000, -0.0004931400000000, -0.0001105900000000 ] - [ 0.0004270700000000, 0.0002465700000000, -0.0001105900000000 ] - [ 0.0004272200000000, 0.0002466800000000, -0.0000453100000000 ] - [ 0.0004282300000000, 0.0002472400000000, -0.0000313100000000 ] - [ 0.0004272400000000, 0.0002466400000000, -0.0000453100000000 ] - [ -0.0004279600000000, -0.0002498600000000, 0.0000943600000000 ] - [ -0.0004309200000000, -0.0002487900000000, 0.0000416900000000 ] - [ -0.0004303600000000, -0.0002457000000000, 0.0000943600000000 ] - [ -0.0004285000000000, -0.0002474000000000, 0.0006360500000000 ] - [ -0.0000000000000000, 0.0004947900000000, 0.0006360500000000 ] - [ 0.0000000000000000, 0.0004975800000000, 0.0000416900000000 ] - [ -0.0000024000000000, 0.0004955500000000, 0.0000943600000000 ] - [ 0.0000024000000000, 0.0004955500000000, 0.0000943600000000 ] - [ -0.0004272200000000, 0.0002466800000000, -0.0000453100000000 ] - [ -0.0004270700000000, 0.0002465700000000, -0.0001105900000000 ] - [ -0.0004282300000000, 0.0002472400000000, -0.0000313100000000 ] - [ -0.0004272400000000, 0.0002466400000000, -0.0000453100000000 ] - [ -0.0000184200000000, -0.0001266300000000, -0.0001399100000000 ] - [ 0.0000184200000000, -0.0001266300000000, -0.0001399100000000 ] - [ -0.0000000000000000, -0.0001056900000000, -0.0001152400000000 ] - [ 0.0000000000000000, -0.0000173700000000, -0.0002148700000000 ] - [ -0.0001188700000000, 0.0000473600000000, -0.0001399100000000 ] - [ -0.0000150400000000, 0.0000086800000000, -0.0002148700000000 ] - [ -0.0000915300000000, 0.0000528500000000, -0.0001152400000000 ] - [ -0.0001004500000000, 0.0000792700000000, -0.0001399100000000 ] - [ 0.0000150400000000, 0.0000086800000000, -0.0002148700000000 ] - [ 0.0001188700000000, 0.0000473600000000, -0.0001399100000000 ] - [ 0.0000915300000000, 0.0000528500000000, -0.0001152400000000 ] - [ 0.0001004500000000, 0.0000792700000000, -0.0001399100000000 ] - [ -0.0001039200000000, 0.0000536300000000, 0.0001133900000000 ] - [ -0.0001385200000000, -0.0000799700000000, -0.0000380900000000 ] - [ -0.0000055100000000, -0.0001168100000000, 0.0001133900000000 ] - [ 0.0002452800000000, 0.0001416100000000, 0.0022070800000000 ] - [ -0.0001129900000000, 0.0000864700000000, 0.0000106100000000 ] - [ -0.0002162300000000, 0.0001248400000000, -0.0000638900000000 ] - [ -0.0001404000000000, 0.0000810600000000, 0.0000350100000000 ] - [ -0.0001313800000000, 0.0000546200000000, 0.0000106100000000 ] - [ 0.0000000000000000, 0.0006161100000000, 0.0024319900000000 ] - [ 0.0000000000000000, 0.0001096900000000, 0.0001106800000000 ] - [ -0.0000983700000000, 0.0002043800000000, 0.0002639600000000 ] - [ 0.0000983700000000, 0.0002043800000000, 0.0002639600000000 ] - [ -0.0001278100000000, -0.0001873800000000, 0.0002639600000000 ] - [ -0.0000949900000000, -0.0000548400000000, 0.0001106800000000 ] - [ -0.0002261800000000, -0.0000170000000000, 0.0002639600000000 ] - [ -0.0005335700000000, -0.0003080600000000, 0.0024319900000000 ] - [ 0.0002162300000000, 0.0001248400000000, -0.0000638900000000 ] - [ 0.0001129900000000, 0.0000864700000000, 0.0000106100000000 ] - [ 0.0001404000000000, 0.0000810600000000, 0.0000350100000000 ] - [ 0.0001313800000000, 0.0000546200000000, 0.0000106100000000 ] - [ 0.0000183900000000, -0.0001410800000000, 0.0000106100000000 ] - [ -0.0000183900000000, -0.0001410800000000, 0.0000106100000000 ] - [ -0.0000000000000000, -0.0001621200000000, 0.0000350100000000 ] - [ 0.0000000000000000, -0.0002496800000000, -0.0000638900000000 ] - [ 0.0001039200000000, 0.0000536300000000, 0.0001133900000000 ] - [ 0.0001385200000000, -0.0000799700000000, -0.0000380900000000 ] - [ -0.0002452800000000, 0.0001416100000000, 0.0022070800000000 ] - [ 0.0000055100000000, -0.0001168100000000, 0.0001133900000000 ] - [ 0.0000000000000000, -0.0002832300000000, 0.0022070800000000 ] - [ 0.0000000000000000, 0.0001599500000000, -0.0000380900000000 ] - [ 0.0000984100000000, 0.0000631800000000, 0.0001133900000000 ] - [ -0.0000984100000000, 0.0000631800000000, 0.0001133900000000 ] - [ 0.0001278100000000, -0.0001873800000000, 0.0002639600000000 ] - [ 0.0000949900000000, -0.0000548400000000, 0.0001106800000000 ] - [ 0.0005335700000000, -0.0003080600000000, 0.0024319900000000 ] - [ 0.0002261800000000, -0.0000170000000000, 0.0002639600000000 ] - [ 0.0000000000000000, -0.0001694300000000, 0.0000381100000000 ] - [ 0.0000000000000000, -0.0000000000000000, -0.0001781600000000 ] - [ -0.0001467300000000, 0.0000847100000000, 0.0000381100000000 ] - [ 0.0001467300000000, 0.0000847100000000, 0.0000381100000000 ] - [ 0.0003955000000000, 0.0002283400000000, -0.0001010900000000 ] - [ -0.0003955000000000, 0.0002283400000000, -0.0001010900000000 ] - [ 0.0000000000000000, -0.0000000000000000, -0.0002321100000000 ] - [ -0.0000000000000000, -0.0004566800000000, -0.0001010900000000 ] - [ -0.0003934700000000, -0.0002271700000000, 0.0003092600000000 ] - [ 0.0003934700000000, -0.0002271700000000, 0.0003092600000000 ] - [ 0.0000000000000000, -0.0000000000000000, 0.0001780100000000 ] - [ -0.0000000000000000, 0.0004543400000000, 0.0003092600000000 ] - [ 0.0000000000000000, 0.0001699000000000, 0.0004483700000000 ] - [ 0.0000000000000000, -0.0000000000000000, 0.0002316700000000 ] - [ 0.0001471400000000, -0.0000849500000000, 0.0004483700000000 ] - [ -0.0001471400000000, -0.0000849500000000, 0.0004483700000000 ] - [ 0.0000000000000000, -0.0000000000000000, -0.0115662700000000 ] - [ 0.0000000000000000, 0.0000001600000000, -0.0001181500000000 ] - [ -0.0000001400000000, -0.0000000800000000, -0.0001181500000000 ] - [ 0.0000001400000000, -0.0000000800000000, -0.0001181500000000 ] - [ 0.0000000000000000, -0.0000000000000000, 0.0001372400000000 ] - [ 0.0000000000000000, -0.0000000600000000, 0.0000529100000000 ] - [ 0.0000000500000000, 0.0000000300000000, 0.0000529100000000 ] - [ -0.0000000500000000, 0.0000000300000000, 0.0000529100000000 ] - [ 0.0001428800000000, 0.0000824900000000, -0.0002991700000000 ] - [ -0.0001428800000000, 0.0000824900000000, -0.0002991700000000 ] - [ -0.0000000000000000, -0.0000000000000000, -0.0003693600000000 ] - [ -0.0000000000000000, -0.0001649900000000, -0.0002991700000000 ] - [ 0.0000000000000000, -0.0015553600000000, -0.0017725500000000 ] - [ 0.0000000000000000, -0.0000000000000000, -0.0005809400000000 ] - [ -0.0013469800000000, 0.0007776800000000, -0.0017725500000000 ] - [ 0.0013469800000000, 0.0007776800000000, -0.0017725500000000 ] - [ -0.0000000000000000, 0.0015513500000000, -0.0008448600000000 ] - [ -0.0000000000000000, -0.0000000000000000, 0.0003558800000000 ] - [ 0.0013435100000000, -0.0007756800000000, -0.0008448600000000 ] - [ -0.0013435100000000, -0.0007756800000000, -0.0008448600000000 ] - [ -0.0001419000000000, -0.0000819300000000, 0.0006265900000000 ] - [ 0.0001419000000000, -0.0000819300000000, 0.0006265900000000 ] - [ 0.0000000000000000, -0.0000000000000000, 0.0005576300000000 ] - [ -0.0000000000000000, 0.0001638600000000, 0.0006265900000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004416700000000, -0.0002664700000000, -0.0000007700000000 ] - [ 0.0005293500000000, -0.0003105500000000, -0.0000628200000000 ] - [ 0.0006072800000000, -0.0003045700000000, -0.0001888700000000 ] - [ 0.0004150900000000, -0.0002380600000000, 0.0000275900000000 ] - [ 0.0081423500000000, -0.0004957500000000, -0.0000012000000000 ] - [ -0.0000878200000000, -0.0005011600000000, -0.0000036100000000 ] - [ 0.0001927200000000, 0.0000572300000000, -0.0003744000000000 ] - [ 0.0001910300000000, -0.0010572600000000, 0.0003734900000000 ] - [ 0.0365177300000000, 0.0164388300000000, 0.0234568500000000 ] - [ 0.0003892200000000, 0.0001593700000000, -0.0000263500000000 ] - [ 0.0003824400000000, 0.0002723400000000, -0.0000056800000000 ] - [ 0.0009078400000000, 0.0003704800000000, 0.0003506200000000 ] - [ -0.0003373200000000, -0.0001902000000000, 0.0000619600000000 ] - [ -0.0004245500000000, -0.0002343800000000, -0.0000004800000000 ] - [ -0.0002621200000000, -0.0001985300000000, 0.0001869800000000 ] - [ -0.0004519700000000, -0.0002628500000000, -0.0000343600000000 ] - [ 0.0000362500000000, 0.0005648900000000, -0.0001263500000000 ] - [ 0.0000362700000000, 0.0004390200000000, 0.0001249900000000 ] - [ -0.0000192000000000, 0.0005022100000000, -0.0000004900000000 ] - [ 0.0000030400000000, 0.0005010700000000, -0.0000029000000000 ] - [ 0.0344651900000000, -0.0151475600000000, -0.0222675000000000 ] - [ -0.0004802700000000, 0.0003409000000000, 0.0000167800000000 ] - [ 0.0000466600000000, 0.0001336800000000, -0.0003541200000000 ] - [ -0.0004782500000000, 0.0002262400000000, 0.0000047600000000 ] - [ 0.0176899600000000, -0.0002000800000000, 0.0000098200000000 ] - [ -0.0001103700000000, -0.0001352300000000, -0.0000741500000000 ] - [ 0.0000573600000000, 0.0005198600000000, -0.0004185800000000 ] - [ 0.0000604300000000, -0.0007831300000000, 0.0002700400000000 ] - [ 0.0427789200000000, -0.0145499400000000, -0.0243214200000000 ] - [ -0.0002675600000000, 0.0001116400000000, -0.0000329900000000 ] - [ 0.0003691200000000, -0.0001030600000000, -0.0003832000000000 ] - [ -0.0000742100000000, -0.0000222900000000, -0.0000329000000000 ] - [ 0.0416535700000000, 0.0137782400000000, 0.0229304600000000 ] - [ -0.0000352400000000, 0.0000279300000000, -0.0001100400000000 ] - [ 0.0001565500000000, 0.0001528300000000, -0.0001203300000000 ] - [ 0.0005940700000000, 0.0002261400000000, 0.0002284600000000 ] - [ -0.0000769700000000, -0.0000719700000000, -0.0000918200000000 ] - [ -0.0001304600000000, -0.0000620500000000, -0.0000957000000000 ] - [ -0.0001944200000000, -0.0000772500000000, -0.0000245900000000 ] - [ -0.0001076000000000, -0.0000672700000000, -0.0000844000000000 ] - [ 0.0019903900000000, -0.0015873600000000, 0.0026630900000000 ] - [ -0.0002032600000000, 0.0000416800000000, 0.0001268600000000 ] - [ -0.0001517800000000, 0.0002043600000000, 0.0000932500000000 ] - [ -0.0001256200000000, 0.0000372400000000, 0.0001256300000000 ] - [ -0.0000037900000000, 0.0004467100000000, -0.0002267600000000 ] - [ -0.0000074200000000, -0.0001771100000000, 0.0003773900000000 ] - [ 0.0000262500000000, 0.0001356300000000, 0.0000722500000000 ] - [ -0.0000135000000000, 0.0001304900000000, 0.0000754800000000 ] - [ 0.0001315200000000, 0.0000752000000000, 0.0002100600000000 ] - [ -0.0001401500000000, -0.0000953300000000, 0.0001629800000000 ] - [ 0.0003949600000000, 0.0002373700000000, 0.0005099400000000 ] - [ -0.0002068200000000, -0.0001111600000000, 0.0000274900000000 ] - [ 0.0022062200000000, 0.0016982600000000, -0.0025333600000000 ] - [ 0.0000325900000000, 0.0000909100000000, 0.0000212100000000 ] - [ 0.0001059700000000, 0.0000950100000000, 0.0000240900000000 ] - [ 0.0000802400000000, -0.0000713200000000, 0.0000558400000000 ] - [ -0.0007472700000000, -0.0001211800000000, 0.0000782000000000 ] - [ -0.0000600000000000, -0.0001337500000000, 0.0000743200000000 ] - [ 0.0000378400000000, -0.0001716900000000, 0.0000406500000000 ] - [ 0.0000368800000000, -0.0000950800000000, 0.0001088600000000 ] - [ 0.0001031200000000, -0.0000711600000000, -0.0000513200000000 ] - [ 0.0001578900000000, -0.0000613500000000, -0.0000544800000000 ] - [ 0.0000407100000000, -0.0000579200000000, -0.0001194600000000 ] - [ 0.0001289400000000, -0.0000681700000000, -0.0000615400000000 ] - [ -0.0000052800000000, 0.0000310600000000, -0.0001397100000000 ] - [ -0.0000049400000000, 0.0002385800000000, -0.0000075800000000 ] - [ -0.0000214300000000, 0.0001345100000000, -0.0000729000000000 ] - [ 0.0000100100000000, 0.0001359000000000, -0.0000733700000000 ] - [ 0.0000919400000000, -0.0000369700000000, -0.0000127400000000 ] - [ 0.0003592500000000, -0.0002083800000000, -0.0000554400000000 ] - [ 0.0006306500000000, -0.0003672600000000, -0.0003596500000000 ] - [ 0.0000206900000000, -0.0000191500000000, 0.0001238300000000 ] - [ 0.0001977100000000, 0.0001314700000000, -0.0008617300000000 ] - [ 0.0001919100000000, -0.0001377200000000, 0.0004421300000000 ] - [ 0.0004279400000000, 0.0000059400000000, -0.0002097300000000 ] - [ -0.0000600400000000, 0.0000004300000000, -0.0002052900000000 ] - [ -0.0018836500000000, -0.0000011200000000, -0.0002105800000000 ] - [ 0.0002281000000000, -0.0000004100000000, -0.0002044500000000 ] - [ 0.0000031400000000, -0.0001292000000000, -0.0002890900000000 ] - [ 0.0000033300000000, 0.0001304700000000, -0.0001212000000000 ] - [ 0.0003808100000000, -0.0000008200000000, 0.0001987600000000 ] - [ -0.0000109800000000, -0.0000003000000000, 0.0002034200000000 ] - [ 0.0000031800000000, 0.0000083900000000, 0.0001753200000000 ] - [ 0.0000032500000000, -0.0000080000000000, 0.0002321000000000 ] - [ 0.0004305600000000, -0.0010878800000000, 0.0007970200000000 ] - [ 0.0004385400000000, 0.0010814000000000, -0.0003851000000000 ] - [ -0.0014440100000000, -0.0000018700000000, 0.0002067100000000 ] - [ 0.0002377700000000, 0.0000012000000000, 0.0002050700000000 ] - [ 0.0000224700000000, 0.0000250400000000, 0.0001411500000000 ] - [ 0.0000232900000000, -0.0000251500000000, -0.0001435400000000 ] - [ 0.0000393500000000, 0.0000004200000000, -0.0000010900000000 ] - [ -0.0000207300000000, 0.0000007300000000, -0.0000017400000000 ] - [ 0.0005184800000000, 0.0007351900000000, -0.0013408100000000 ] - [ 0.0005197400000000, -0.0007308900000000, 0.0013499700000000 ] - [ 0.0000946700000000, -0.0000007000000000, 0.0000002700000000 ] - [ -0.0007504400000000, 0.0000054100000000, 0.0000087700000000 ] - [ -0.1983663500000000, 0.0000845900000000, -0.0004766800000000 ] - [ 0.0004517200000000, 0.0000010500000000, -0.0004711300000000 ] - [ -0.0010954300000000, -0.0008920400000000, 0.0005499900000000 ] - [ -0.0010943100000000, 0.0008917800000000, -0.0014699400000000 ] - [ 0.0000536400000000, 0.0002338000000000, -0.0003570000000000 ] - [ 0.0000512600000000, -0.0002347300000000, -0.0005803700000000 ] - [ 0.0004583400000000, 0.0000000100000000, -0.0004666500000000 ] - [ -0.0000641800000000, -0.0000006300000000, -0.0004699000000000 ] - [ -0.0004438500000000, -0.0005279200000000, 0.0004185300000000 ] - [ -0.0004438400000000, 0.0005188000000000, 0.0005105300000000 ] - [ -0.0013501500000000, 0.0000014000000000, 0.0004669200000000 ] - [ 0.0001778000000000, -0.0000002700000000, 0.0004635700000000 ] - [ 0.0126489900000000, 0.0000948700000000, 0.0004905300000000 ] - [ 0.0006710600000000, -0.0000007000000000, 0.0004690900000000 ] - [ 0.0003651700000000, -0.0001735400000000, 0.0005482000000000 ] - [ 0.0003651800000000, 0.0001796300000000, 0.0003820800000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003748500000000, -0.0002164200000000, -0.0000893200000000 ] - [ 0.0003509900000000, -0.0002069600000000, -0.0001007600000000 ] - [ 0.0003547300000000, -0.0002004900000000, -0.0001007600000000 ] - [ 0.0004265200000000, -0.0002462500000000, -0.0000771100000000 ] - [ 0.0000000000000000, -0.0258882200000000, 0.0181035100000000 ] - [ -0.0000000000000000, -0.0005864700000000, 0.0000824700000000 ] - [ -0.0001979100000000, -0.0011450400000000, 0.0004181500000000 ] - [ 0.0001979100000000, -0.0011450400000000, 0.0004181500000000 ] - [ 0.0224198500000000, 0.0129441100000000, 0.0181035100000000 ] - [ 0.0008926800000000, 0.0007439100000000, 0.0004181500000000 ] - [ 0.0005079000000000, 0.0002932300000000, 0.0000824700000000 ] - [ 0.0010905900000000, 0.0004011300000000, 0.0004181500000000 ] - [ -0.0003509900000000, -0.0002069600000000, -0.0001007600000000 ] - [ -0.0003748500000000, -0.0002164200000000, -0.0000893200000000 ] - [ -0.0003547300000000, -0.0002004900000000, -0.0001007600000000 ] - [ -0.0004265200000000, -0.0002462500000000, -0.0000771100000000 ] - [ 0.0000037400000000, 0.0004074400000000, -0.0001007600000000 ] - [ -0.0000037400000000, 0.0004074400000000, -0.0001007600000000 ] - [ -0.0000000000000000, 0.0004328400000000, -0.0000893200000000 ] - [ -0.0000000000000000, 0.0004925000000000, -0.0000771100000000 ] - [ -0.0224198500000000, 0.0129441100000000, 0.0181035100000000 ] - [ -0.0008926800000000, 0.0007439100000000, 0.0004181500000000 ] - [ -0.0010905900000000, 0.0004011300000000, 0.0004181500000000 ] - [ -0.0005079000000000, 0.0002932300000000, 0.0000824700000000 ] - [ -0.0000000000000000, -0.0267091500000000, 0.0332178200000000 ] - [ -0.0000000000000000, -0.0001331100000000, 0.0001117800000000 ] - [ 0.0000008200000000, -0.0007863400000000, 0.0004356800000000 ] - [ -0.0000008200000000, -0.0007863400000000, 0.0004356800000000 ] - [ -0.0231308000000000, 0.0133545700000000, 0.0332178200000000 ] - [ -0.0006814000000000, 0.0003924600000000, 0.0004356800000000 ] - [ -0.0006805800000000, 0.0003938800000000, 0.0004356800000000 ] - [ -0.0001152800000000, 0.0000665600000000, 0.0001117800000000 ] - [ 0.0231308000000000, 0.0133545700000000, 0.0332178200000000 ] - [ 0.0006814000000000, 0.0003924600000000, 0.0004356800000000 ] - [ 0.0001152800000000, 0.0000665600000000, 0.0001117800000000 ] - [ 0.0006805800000000, 0.0003938800000000, 0.0004356800000000 ] - [ 0.0000412300000000, -0.0000286300000000, -0.0003134200000000 ] - [ -0.0000785900000000, -0.0000453800000000, -0.0002502100000000 ] - [ -0.0000041800000000, 0.0000500300000000, -0.0003134200000000 ] - [ -0.0000671600000000, -0.0000387800000000, -0.0001750600000000 ] - [ -0.0007801500000000, 0.0004504200000000, 0.0002772900000000 ] - [ 0.0000190100000000, 0.0000793100000000, 0.0000797900000000 ] - [ -0.0000591800000000, -0.0000561200000000, 0.0000797900000000 ] - [ -0.0000770300000000, 0.0000444700000000, 0.0001407300000000 ] - [ -0.0001030300000000, 0.0001452700000000, 0.0000178700000000 ] - [ 0.0001030300000000, 0.0001452700000000, 0.0000178700000000 ] - [ -0.0000000000000000, 0.0001057000000000, 0.0000035700000000 ] - [ -0.0000000000000000, 0.0001944400000000, 0.0000117400000000 ] - [ -0.0001773200000000, 0.0000165900000000, 0.0000178700000000 ] - [ -0.0000915400000000, -0.0000528500000000, 0.0000035700000000 ] - [ -0.0000742900000000, -0.0001618600000000, 0.0000178700000000 ] - [ -0.0001683900000000, -0.0000972200000000, 0.0000117400000000 ] - [ 0.0007801500000000, 0.0004504200000000, 0.0002772900000000 ] - [ -0.0000190100000000, 0.0000793100000000, 0.0000797900000000 ] - [ 0.0000770300000000, 0.0000444700000000, 0.0001407300000000 ] - [ 0.0000591800000000, -0.0000561200000000, 0.0000797900000000 ] - [ -0.0000000000000000, -0.0009008400000000, 0.0002772900000000 ] - [ -0.0000000000000000, -0.0000889500000000, 0.0001407300000000 ] - [ -0.0000781900000000, -0.0000231900000000, 0.0000797900000000 ] - [ 0.0000781900000000, -0.0000231900000000, 0.0000797900000000 ] - [ 0.0000785900000000, -0.0000453800000000, -0.0002502100000000 ] - [ -0.0000412300000000, -0.0000286300000000, -0.0003134200000000 ] - [ 0.0000041800000000, 0.0000500300000000, -0.0003134200000000 ] - [ 0.0000671600000000, -0.0000387800000000, -0.0001750600000000 ] - [ 0.0000454100000000, -0.0000213900000000, -0.0003134200000000 ] - [ -0.0000454100000000, -0.0000213900000000, -0.0003134200000000 ] - [ -0.0000000000000000, 0.0000907500000000, -0.0002502100000000 ] - [ -0.0000000000000000, 0.0000775500000000, -0.0001750600000000 ] - [ 0.0000915400000000, -0.0000528500000000, 0.0000035700000000 ] - [ 0.0001773200000000, 0.0000165900000000, 0.0000178700000000 ] - [ 0.0000742900000000, -0.0001618600000000, 0.0000178700000000 ] - [ 0.0001683900000000, -0.0000972200000000, 0.0000117400000000 ] - [ -0.0006920800000000, 0.0003995700000000, 0.0005287000000000 ] - [ 0.0006920800000000, 0.0003995700000000, 0.0005287000000000 ] - [ -0.0000000000000000, -0.0007991500000000, 0.0005287000000000 ] - [ -0.0000000000000000, 0.0000000000000000, -0.0001527100000000 ] - [ -0.0000000000000000, 0.0000000000000000, 0.0020082300000000 ] - [ -0.0000000000000000, -0.0000249300000000, -0.0001588900000000 ] - [ 0.0000215900000000, 0.0000124700000000, -0.0001588900000000 ] - [ -0.0000215900000000, 0.0000124700000000, -0.0001588900000000 ] - [ -0.0000000000000000, 0.0000000000000000, 0.0012267900000000 ] - [ -0.0000000000000000, 0.0000200400000000, 0.0003742700000000 ] - [ -0.0000173500000000, -0.0000100200000000, 0.0003742700000000 ] - [ 0.0000173500000000, -0.0000100200000000, 0.0003742700000000 ] - [ 0.0007004900000000, -0.0004044300000000, -0.0001547600000000 ] - [ -0.0007004900000000, -0.0004044300000000, -0.0001547600000000 ] - [ -0.0000000000000000, 0.0008088500000000, -0.0001547600000000 ] - [ -0.0000000000000000, 0.0000000000000000, 0.0001397100000000 ] - [ 0.0000236000000000, 0.0000136300000000, 0.0001638000000000 ] - [ -0.0000236000000000, 0.0000136300000000, 0.0001638000000000 ] - [ -0.0000000000000000, 0.0000000000000000, 0.0000913400000000 ] - [ -0.0000000000000000, -0.0000272500000000, 0.0001638000000000 ] - [ -0.0005427200000000, -0.0003133400000000, -0.0013019400000000 ] - [ 0.0005427200000000, -0.0003133400000000, -0.0013019400000000 ] - [ -0.0000000000000000, 0.0000000000000000, -0.0001208100000000 ] - [ -0.0000000000000000, 0.0006266800000000, -0.0013019400000000 ] - [ -0.0000000000000000, 0.0000000000000000, -0.2208390100000000 ] - [ -0.0000000000000000, -0.0011660300000000, -0.0021634000000000 ] - [ 0.0010098100000000, 0.0005830100000000, -0.0021634000000000 ] - [ -0.0010098100000000, 0.0005830100000000, -0.0021634000000000 ] - [ -0.0001073300000000, 0.0000619700000000, -0.0001642000000000 ] - [ 0.0001073300000000, 0.0000619700000000, -0.0001642000000000 ] - [ -0.0000000000000000, -0.0001239400000000, -0.0001642000000000 ] - [ -0.0000000000000000, 0.0000000000000000, -0.0002752000000000 ] - [ -0.0000429000000000, 0.0000247700000000, 0.0005329600000000 ] - [ 0.0000429000000000, 0.0000247700000000, 0.0005329600000000 ] - [ -0.0000000000000000, -0.0000495400000000, 0.0005329600000000 ] - [ -0.0000000000000000, 0.0000000000000000, 0.0006842300000000 ] - [ -0.0000000000000000, 0.0000000000000000, 0.0657089300000000 ] - [ -0.0000000000000000, 0.0000972200000000, 0.0004211100000000 ] - [ -0.0000842000000000, -0.0000486100000000, 0.0004211100000000 ] - [ 0.0000842000000000, -0.0000486100000000, 0.0004211100000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0004910800000000, -0.0002835300000000, 0.0000888600000000 ] - [ 0.0005185800000000, -0.0002947300000000, 0.0000997700000000 ] - [ 0.0005145300000000, -0.0003017400000000, 0.0000997700000000 ] - [ 0.0004395200000000, -0.0002537600000000, 0.0000761300000000 ] - [ 0.0000000000000000, 0.0235494200000000, -0.0176592700000000 ] - [ -0.0000000000000000, -0.0004105900000000, -0.0000851800000000 ] - [ 0.0002023300000000, 0.0001446600000000, -0.0004234800000000 ] - [ -0.0002023300000000, 0.0001446600000000, -0.0004234800000000 ] - [ -0.0203943900000000, -0.0117747100000000, -0.0176592700000000 ] - [ -0.0000241100000000, -0.0002475600000000, -0.0004234800000000 ] - [ 0.0003555800000000, 0.0002052900000000, -0.0000851800000000 ] - [ -0.0002264500000000, 0.0001029000000000, -0.0004234800000000 ] - [ -0.0005185800000000, -0.0002947300000000, 0.0000997700000000 ] - [ -0.0004910800000000, -0.0002835300000000, 0.0000888600000000 ] - [ -0.0005145300000000, -0.0003017400000000, 0.0000997700000000 ] - [ -0.0004395200000000, -0.0002537600000000, 0.0000761300000000 ] - [ -0.0000040500000000, 0.0005964700000000, 0.0000997700000000 ] - [ 0.0000040500000000, 0.0005964700000000, 0.0000997700000000 ] - [ -0.0000000000000000, 0.0005670500000000, 0.0000888600000000 ] - [ -0.0000000000000000, 0.0005075200000000, 0.0000761300000000 ] - [ 0.0203943900000000, -0.0117747100000000, -0.0176592700000000 ] - [ 0.0000241100000000, -0.0002475600000000, -0.0004234800000000 ] - [ 0.0002264500000000, 0.0001029000000000, -0.0004234800000000 ] - [ -0.0003555800000000, 0.0002052900000000, -0.0000851800000000 ] - [ 0.0000000000000000, 0.0274885600000000, -0.0339947500000000 ] - [ -0.0000000000000000, -0.0001288400000000, -0.0002671400000000 ] - [ -0.0000040800000000, 0.0005297200000000, -0.0005900900000000 ] - [ 0.0000040800000000, 0.0005297200000000, -0.0005900900000000 ] - [ 0.0238057900000000, -0.0137442800000000, -0.0339947500000000 ] - [ 0.0004607900000000, -0.0002613300000000, -0.0005900900000000 ] - [ 0.0004567100000000, -0.0002683900000000, -0.0005900900000000 ] - [ -0.0001115800000000, 0.0000644200000000, -0.0002671400000000 ] - [ -0.0238057900000000, -0.0137442800000000, -0.0339947500000000 ] - [ -0.0004607900000000, -0.0002613300000000, -0.0005900900000000 ] - [ 0.0001115800000000, 0.0000644200000000, -0.0002671400000000 ] - [ -0.0004567100000000, -0.0002683900000000, -0.0005900900000000 ] - [ -0.0002704100000000, -0.0001036800000000, 0.0001645300000000 ] - [ -0.0001491500000000, -0.0000861100000000, 0.0001009500000000 ] - [ -0.0002250000000000, -0.0001823400000000, 0.0001645300000000 ] - [ -0.0001599200000000, -0.0000923300000000, 0.0000232600000000 ] - [ 0.0005546100000000, -0.0003202100000000, -0.0001169500000000 ] - [ -0.0002486500000000, 0.0000522300000000, 0.0000681000000000 ] - [ -0.0001695500000000, 0.0001892200000000, 0.0000681000000000 ] - [ -0.0001512600000000, 0.0000873300000000, 0.0000075500000000 ] - [ 0.0001053400000000, 0.0001194900000000, 0.0001305700000000 ] - [ -0.0001053400000000, 0.0001194900000000, 0.0001305700000000 ] - [ -0.0000000000000000, 0.0001586400000000, 0.0001437000000000 ] - [ -0.0000000000000000, 0.0000673400000000, 0.0001366100000000 ] - [ -0.0000508100000000, -0.0001509700000000, 0.0001305700000000 ] - [ -0.0001373900000000, -0.0000793200000000, 0.0001437000000000 ] - [ -0.0001561500000000, 0.0000314800000000, 0.0001305700000000 ] - [ -0.0000583100000000, -0.0000336700000000, 0.0001366100000000 ] - [ -0.0005546100000000, -0.0003202100000000, -0.0001169500000000 ] - [ 0.0002486500000000, 0.0000522300000000, 0.0000681000000000 ] - [ 0.0001512600000000, 0.0000873300000000, 0.0000075500000000 ] - [ 0.0001695500000000, 0.0001892200000000, 0.0000681000000000 ] - [ -0.0000000000000000, 0.0006404100000000, -0.0001169500000000 ] - [ -0.0000000000000000, -0.0001746600000000, 0.0000075500000000 ] - [ 0.0000790900000000, -0.0002414500000000, 0.0000681000000000 ] - [ -0.0000790900000000, -0.0002414500000000, 0.0000681000000000 ] - [ 0.0001491500000000, -0.0000861100000000, 0.0001009500000000 ] - [ 0.0002704100000000, -0.0001036800000000, 0.0001645300000000 ] - [ 0.0002250000000000, -0.0001823400000000, 0.0001645300000000 ] - [ 0.0001599200000000, -0.0000923300000000, 0.0000232600000000 ] - [ -0.0000454100000000, 0.0002860200000000, 0.0001645300000000 ] - [ 0.0000454100000000, 0.0002860200000000, 0.0001645300000000 ] - [ -0.0000000000000000, 0.0001722200000000, 0.0001009500000000 ] - [ -0.0000000000000000, 0.0001846600000000, 0.0000232600000000 ] - [ 0.0001373900000000, -0.0000793200000000, 0.0001437000000000 ] - [ 0.0000508100000000, -0.0001509700000000, 0.0001305700000000 ] - [ 0.0001561500000000, 0.0000314800000000, 0.0001305700000000 ] - [ 0.0000583100000000, -0.0000336700000000, 0.0001366100000000 ] - [ 0.0007011300000000, -0.0004047900000000, -0.0009607000000000 ] - [ -0.0007011300000000, -0.0004047900000000, -0.0009607000000000 ] - [ -0.0000000000000000, 0.0008095900000000, -0.0009607000000000 ] - [ -0.0000000000000000, 0.0000000000000000, -0.0002644800000000 ] - [ -0.0000000000000000, 0.0000000000000000, -0.0024614300000000 ] - [ -0.0000000000000000, 0.0000245900000000, -0.0002544400000000 ] - [ -0.0000212900000000, -0.0000122900000000, -0.0002544400000000 ] - [ 0.0000212900000000, -0.0000122900000000, -0.0002544400000000 ] - [ -0.0000000000000000, 0.0000000000000000, -0.0008251300000000 ] - [ -0.0000000000000000, -0.0000203000000000, 0.0000330900000000 ] - [ 0.0000175800000000, 0.0000101500000000, 0.0000330900000000 ] - [ -0.0000175800000000, 0.0000101500000000, 0.0000330900000000 ] - [ -0.0007086900000000, 0.0004091600000000, 0.0005757500000000 ] - [ 0.0007086900000000, 0.0004091600000000, 0.0005757500000000 ] - [ -0.0000000000000000, -0.0008183200000000, 0.0005757500000000 ] - [ -0.0000000000000000, 0.0000000000000000, 0.0002730300000000 ] - [ -0.0000252800000000, -0.0000146000000000, -0.0001670000000000 ] - [ 0.0000252800000000, -0.0000146000000000, -0.0001670000000000 ] - [ -0.0000000000000000, 0.0000000000000000, -0.0000948200000000 ] - [ -0.0000000000000000, 0.0000291900000000, -0.0001670000000000 ] - [ 0.0005383100000000, 0.0003107900000000, 0.0013120200000000 ] - [ -0.0005383100000000, 0.0003107900000000, 0.0013120200000000 ] - [ -0.0000000000000000, 0.0000000000000000, 0.0001197400000000 ] - [ -0.0000000000000000, -0.0006215900000000, 0.0013120200000000 ] - [ -0.0000000000000000, 0.0000000000000000, 0.2178477600000000 ] - [ -0.0000000000000000, 0.0011700000000000, 0.0012428000000000 ] - [ -0.0010132500000000, -0.0005850000000000, 0.0012428000000000 ] - [ 0.0010132500000000, -0.0005850000000000, 0.0012428000000000 ] - [ 0.0001107000000000, -0.0000639100000000, -0.0007693500000000 ] - [ -0.0001107000000000, -0.0000639100000000, -0.0007693500000000 ] - [ -0.0000000000000000, 0.0001278200000000, -0.0007693500000000 ] - [ -0.0000000000000000, 0.0000000000000000, -0.0006557700000000 ] - [ 0.0000498000000000, -0.0000287500000000, 0.0004000800000000 ] - [ -0.0000498000000000, -0.0000287500000000, 0.0004000800000000 ] - [ -0.0000000000000000, 0.0000575000000000, 0.0004000800000000 ] - [ -0.0000000000000000, 0.0000000000000000, 0.0002385500000000 ] - [ -0.0000000000000000, 0.0000000000000000, -0.0619982600000000 ] - [ -0.0000000000000000, -0.0000996800000000, 0.0005088200000000 ] - [ 0.0000863200000000, 0.0000498400000000, 0.0005088200000000 ] - [ -0.0000863200000000, 0.0000498400000000, 0.0005088200000000 ]