# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/32397d85-2182-4573-942c-72c871a1e58e/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 YBiO3 / R-3 (148) / materials id 754152](https://mdr.nims.go.jp/datasets/136c08e1-b7e0-4330-9448-ce05e605466a) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "R-3" number: 148 Hall_symbol: "-R 3"primitive_matrix:- [ 0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [ 0.333333333333333, 0.333333333333333, -0.666666666666667 ]- [ 0.333333333333333, 0.333333333333333, 0.333333333333333 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 2.983923010000002, 1.722768736666665, 4.923883746666662 ] # a - [ -2.983922999999997, 1.722768756666665, 4.923883746666662 ] # b - [ -0.000000009999997, -3.445537493333334, 4.923883746666662 ] # c points: - symbol: Y # 1 coordinates: [ 0.140343440000000, 0.140343430000001, 0.140343440000000 ] mass: 88.905850 - symbol: Y # 2 coordinates: [ 0.859656560000000, 0.859656570000002, 0.859656560000000 ] mass: 88.905850 - symbol: Bi # 3 coordinates: [ 0.359485560000000, 0.359485560000001, 0.359485560000000 ] mass: 208.980400 - symbol: Bi # 4 coordinates: [ 0.640514440000000, 0.640514440000002, 0.640514440000000 ] mass: 208.980400 - symbol: O # 5 coordinates: [ 0.005259150000000, 0.782974350000001, 0.456164490000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.543835510000000, 0.994740850000002, 0.217025650000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.217025650000000, 0.543835510000002, 0.994740850000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.782974350000000, 0.456164490000001, 0.005259150000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.456164490000000, 0.005259150000001, 0.782974350000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.994740850000000, 0.217025650000002, 0.543835510000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.167564645645887, 0.096743492793982, 0.067697238700851 ] # a* - [ -0.167564644997455, 0.096743493766629, 0.067697238700851 ] # b* - [ -0.000000000648432, -0.193486986560611, 0.067697238700851 ] # c*unit_cell: lattice: - [ 5.967846010000000, -0.000000020000000, 0.000000000000000 ] # a - [ -2.983922990000000, 5.168306250000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.771651240000001 ] # c points: - symbol: Y # 1 coordinates: [ 0.666666670000000, 0.333333330000000, 0.473676770000000 ] mass: 88.905850 reduced_to: 1 - symbol: Y # 2 coordinates: [ 0.333333330000000, 0.666666670000000, 0.526323230000000 ] mass: 88.905850 reduced_to: 2 - symbol: Y # 3 coordinates: [ 0.333333330000000, 0.666666670000000, 0.807010110000000 ] mass: 88.905850 reduced_to: 1 - symbol: Y # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.859656560000000 ] mass: 88.905850 reduced_to: 2 - symbol: Y # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.140343440000000 ] mass: 88.905850 reduced_to: 1 - symbol: Y # 6 coordinates: [ 0.666666670000000, 0.333333330000000, 0.192989890000000 ] mass: 88.905850 reduced_to: 2 - symbol: Bi # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.359485560000000 ] mass: 208.980400 reduced_to: 7 - symbol: Bi # 8 coordinates: [ 0.000000000000000, 0.000000000000000, 0.640514440000000 ] mass: 208.980400 reduced_to: 8 - symbol: Bi # 9 coordinates: [ 0.666666670000000, 0.333333330000000, 0.692818890000000 ] mass: 208.980400 reduced_to: 7 - symbol: Bi # 10 coordinates: [ 0.666666670000000, 0.333333330000000, 0.973847770000000 ] mass: 208.980400 reduced_to: 8 - symbol: Bi # 11 coordinates: [ 0.333333330000000, 0.666666670000000, 0.026152230000000 ] mass: 208.980400 reduced_to: 7 - symbol: Bi # 12 coordinates: [ 0.333333330000000, 0.666666670000000, 0.307181110000000 ] mass: 208.980400 reduced_to: 8 - symbol: O # 13 coordinates: [ 0.590459820000000, 0.958634840000000, 0.414799330000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.958634840000000, 0.368175020000000, 0.585200670000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.631824980000000, 0.590459820000000, 0.585200670000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.368175020000000, 0.409540180000000, 0.414799330000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.041365160000000, 0.631824980000000, 0.414799330000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.409540180000000, 0.041365160000000, 0.585200670000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.257126480000000, 0.291968180000000, 0.748132670000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 20 coordinates: [ 0.625301510000000, 0.701508360000000, 0.918534000000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 21 coordinates: [ 0.298491640000000, 0.923793150000000, 0.918534000000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 22 coordinates: [ 0.034841690000000, 0.742873520000000, 0.748132670000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 23 coordinates: [ 0.708031820000000, 0.965158310000000, 0.748132670000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 24 coordinates: [ 0.076206850000000, 0.374698490000000, 0.918534000000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 25 coordinates: [ 0.923793150000000, 0.625301510000000, 0.081466000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 26 coordinates: [ 0.291968180000000, 0.034841690000000, 0.251867330000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 27 coordinates: [ 0.965158310000000, 0.257126480000000, 0.251867330000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 28 coordinates: [ 0.701508360000000, 0.076206850000000, 0.081466000000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 29 coordinates: [ 0.374698490000000, 0.298491640000000, 0.081466000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 30 coordinates: [ 0.742873520000000, 0.708031820000000, 0.251867330000000 ] mass: 15.999400 reduced_to: 18supercell: lattice: - [ 11.935692019999999, -0.000000040000000, 0.000000000000000 ] # a - [ -5.967845980000000, 10.336612499999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.771651240000001 ] # c points: - symbol: Y # 1 coordinates: [ 0.333333335000000, 0.166666665000000, 0.473676770000000 ] mass: 88.905850 reduced_to: 1 - symbol: Y # 2 coordinates: [ 0.833333335000000, 0.166666665000000, 0.473676770000000 ] mass: 88.905850 reduced_to: 1 - symbol: Y # 3 coordinates: [ 0.333333335000000, 0.666666665000000, 0.473676770000000 ] mass: 88.905850 reduced_to: 1 - symbol: Y # 4 coordinates: [ 0.833333335000000, 0.666666665000000, 0.473676770000000 ] mass: 88.905850 reduced_to: 1 - symbol: Y # 5 coordinates: [ 0.166666665000000, 0.333333335000000, 0.526323230000000 ] mass: 88.905850 reduced_to: 5 - symbol: Y # 6 coordinates: [ 0.666666665000000, 0.333333335000000, 0.526323230000000 ] mass: 88.905850 reduced_to: 5 - symbol: Y # 7 coordinates: [ 0.166666665000000, 0.833333335000000, 0.526323230000000 ] mass: 88.905850 reduced_to: 5 - symbol: Y # 8 coordinates: [ 0.666666665000000, 0.833333335000000, 0.526323230000000 ] mass: 88.905850 reduced_to: 5 - symbol: Y # 9 coordinates: [ 0.166666665000000, 0.333333335000000, 0.807010110000000 ] mass: 88.905850 reduced_to: 1 - symbol: Y # 10 coordinates: [ 0.666666665000000, 0.333333335000000, 0.807010110000000 ] mass: 88.905850 reduced_to: 1 - symbol: Y # 11 coordinates: [ 0.166666665000000, 0.833333335000000, 0.807010110000000 ] mass: 88.905850 reduced_to: 1 - symbol: Y # 12 coordinates: [ 0.666666665000000, 0.833333335000000, 0.807010110000000 ] mass: 88.905850 reduced_to: 1 - symbol: Y # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.859656560000000 ] mass: 88.905850 reduced_to: 5 - symbol: Y # 14 coordinates: [ 0.500000000000000, 0.000000000000000, 0.859656560000000 ] mass: 88.905850 reduced_to: 5 - symbol: Y # 15 coordinates: [ 0.000000000000000, 0.500000000000000, 0.859656560000000 ] mass: 88.905850 reduced_to: 5 - symbol: Y # 16 coordinates: [ 0.500000000000000, 0.500000000000000, 0.859656560000000 ] mass: 88.905850 reduced_to: 5 - symbol: Y # 17 coordinates: [ 0.000000000000000, 0.000000000000000, 0.140343440000000 ] mass: 88.905850 reduced_to: 1 - symbol: Y # 18 coordinates: [ 0.500000000000000, 0.000000000000000, 0.140343440000000 ] mass: 88.905850 reduced_to: 1 - symbol: Y # 19 coordinates: [ 0.000000000000000, 0.500000000000000, 0.140343440000000 ] mass: 88.905850 reduced_to: 1 - symbol: Y # 20 coordinates: [ 0.500000000000000, 0.500000000000000, 0.140343440000000 ] mass: 88.905850 reduced_to: 1 - symbol: Y # 21 coordinates: [ 0.333333335000000, 0.166666665000000, 0.192989890000000 ] mass: 88.905850 reduced_to: 5 - symbol: Y # 22 coordinates: [ 0.833333335000000, 0.166666665000000, 0.192989890000000 ] mass: 88.905850 reduced_to: 5 - symbol: Y # 23 coordinates: [ 0.333333335000000, 0.666666665000000, 0.192989890000000 ] mass: 88.905850 reduced_to: 5 - symbol: Y # 24 coordinates: [ 0.833333335000000, 0.666666665000000, 0.192989890000000 ] mass: 88.905850 reduced_to: 5 - symbol: Bi # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.359485560000000 ] mass: 208.980400 reduced_to: 25 - symbol: Bi # 26 coordinates: [ 0.500000000000000, 0.000000000000000, 0.359485560000000 ] mass: 208.980400 reduced_to: 25 - symbol: Bi # 27 coordinates: [ 0.000000000000000, 0.500000000000000, 0.359485560000000 ] mass: 208.980400 reduced_to: 25 - symbol: Bi # 28 coordinates: [ 0.500000000000000, 0.500000000000000, 0.359485560000000 ] mass: 208.980400 reduced_to: 25 - symbol: Bi # 29 coordinates: [ 0.000000000000000, 0.000000000000000, 0.640514440000000 ] mass: 208.980400 reduced_to: 29 - symbol: Bi # 30 coordinates: [ 0.500000000000000, 0.000000000000000, 0.640514440000000 ] mass: 208.980400 reduced_to: 29 - symbol: Bi # 31 coordinates: [ 0.000000000000000, 0.500000000000000, 0.640514440000000 ] mass: 208.980400 reduced_to: 29 - symbol: Bi # 32 coordinates: [ 0.500000000000000, 0.500000000000000, 0.640514440000000 ] mass: 208.980400 reduced_to: 29 - symbol: Bi # 33 coordinates: [ 0.333333335000000, 0.166666665000000, 0.692818890000000 ] mass: 208.980400 reduced_to: 25 - symbol: Bi # 34 coordinates: [ 0.833333335000000, 0.166666665000000, 0.692818890000000 ] mass: 208.980400 reduced_to: 25 - symbol: Bi # 35 coordinates: [ 0.333333335000000, 0.666666665000000, 0.692818890000000 ] mass: 208.980400 reduced_to: 25 - symbol: Bi # 36 coordinates: [ 0.833333335000000, 0.666666665000000, 0.692818890000000 ] mass: 208.980400 reduced_to: 25 - symbol: Bi # 37 coordinates: [ 0.333333335000000, 0.166666665000000, 0.973847770000000 ] mass: 208.980400 reduced_to: 29 - symbol: Bi # 38 coordinates: [ 0.833333335000000, 0.166666665000000, 0.973847770000000 ] mass: 208.980400 reduced_to: 29 - symbol: Bi # 39 coordinates: [ 0.333333335000000, 0.666666665000000, 0.973847770000000 ] mass: 208.980400 reduced_to: 29 - symbol: Bi # 40 coordinates: [ 0.833333335000000, 0.666666665000000, 0.973847770000000 ] mass: 208.980400 reduced_to: 29 - symbol: Bi # 41 coordinates: [ 0.166666665000000, 0.333333335000000, 0.026152230000000 ] mass: 208.980400 reduced_to: 25 - symbol: Bi # 42 coordinates: [ 0.666666665000000, 0.333333335000000, 0.026152230000000 ] mass: 208.980400 reduced_to: 25 - symbol: Bi # 43 coordinates: [ 0.166666665000000, 0.833333335000000, 0.026152230000000 ] mass: 208.980400 reduced_to: 25 - symbol: Bi # 44 coordinates: [ 0.666666665000000, 0.833333335000000, 0.026152230000000 ] mass: 208.980400 reduced_to: 25 - symbol: Bi # 45 coordinates: [ 0.166666665000000, 0.333333335000000, 0.307181110000000 ] mass: 208.980400 reduced_to: 29 - symbol: Bi # 46 coordinates: [ 0.666666665000000, 0.333333335000000, 0.307181110000000 ] mass: 208.980400 reduced_to: 29 - symbol: Bi # 47 coordinates: [ 0.166666665000000, 0.833333335000000, 0.307181110000000 ] mass: 208.980400 reduced_to: 29 - symbol: Bi # 48 coordinates: [ 0.666666665000000, 0.833333335000000, 0.307181110000000 ] mass: 208.980400 reduced_to: 29 - symbol: O # 49 coordinates: [ 0.295229910000000, 0.479317420000000, 0.414799330000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.795229910000000, 0.479317420000000, 0.414799330000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.295229910000000, 0.979317420000000, 0.414799330000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.795229910000000, 0.979317420000000, 0.414799330000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.479317420000000, 0.184087510000000, 0.585200670000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.979317420000000, 0.184087510000000, 0.585200670000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.479317420000000, 0.684087510000000, 0.585200670000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.979317420000000, 0.684087510000000, 0.585200670000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.315912490000000, 0.295229910000000, 0.585200670000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.815912490000000, 0.295229910000000, 0.585200670000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.315912490000000, 0.795229910000000, 0.585200670000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.815912490000000, 0.795229910000000, 0.585200670000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.184087510000000, 0.204770090000000, 0.414799330000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.684087510000000, 0.204770090000000, 0.414799330000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.184087510000000, 0.704770090000000, 0.414799330000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.684087510000000, 0.704770090000000, 0.414799330000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.020682580000000, 0.315912490000000, 0.414799330000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.520682580000000, 0.315912490000000, 0.414799330000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.020682580000000, 0.815912490000000, 0.414799330000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.520682580000000, 0.815912490000000, 0.414799330000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.204770090000000, 0.020682580000000, 0.585200670000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.704770090000000, 0.020682580000000, 0.585200670000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.204770090000000, 0.520682580000000, 0.585200670000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 72 coordinates: [ 0.704770090000000, 0.520682580000000, 0.585200670000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 73 coordinates: [ 0.128563240000000, 0.145984090000000, 0.748132670000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 74 coordinates: [ 0.628563240000000, 0.145984090000000, 0.748132670000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 75 coordinates: [ 0.128563240000000, 0.645984090000000, 0.748132670000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 76 coordinates: [ 0.628563240000000, 0.645984090000000, 0.748132670000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 77 coordinates: [ 0.312650755000000, 0.350754180000000, 0.918534000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 78 coordinates: [ 0.812650755000000, 0.350754180000000, 0.918534000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 79 coordinates: [ 0.312650755000000, 0.850754180000000, 0.918534000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 80 coordinates: [ 0.812650755000000, 0.850754180000000, 0.918534000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 81 coordinates: [ 0.149245820000000, 0.461896575000000, 0.918534000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 82 coordinates: [ 0.649245820000000, 0.461896575000000, 0.918534000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 83 coordinates: [ 0.149245820000000, 0.961896575000000, 0.918534000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 84 coordinates: [ 0.649245820000000, 0.961896575000000, 0.918534000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 85 coordinates: [ 0.017420845000000, 0.371436760000000, 0.748132670000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 86 coordinates: [ 0.517420845000000, 0.371436760000000, 0.748132670000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 87 coordinates: [ 0.017420845000000, 0.871436760000000, 0.748132670000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 88 coordinates: [ 0.517420845000000, 0.871436760000000, 0.748132670000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 89 coordinates: [ 0.354015910000000, 0.482579155000000, 0.748132670000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 90 coordinates: [ 0.854015910000000, 0.482579155000000, 0.748132670000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 91 coordinates: [ 0.354015910000000, 0.982579155000000, 0.748132670000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 92 coordinates: [ 0.854015910000000, 0.982579155000000, 0.748132670000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 93 coordinates: [ 0.038103425000000, 0.187349245000000, 0.918534000000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 94 coordinates: [ 0.538103425000000, 0.187349245000000, 0.918534000000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 95 coordinates: [ 0.038103425000000, 0.687349245000000, 0.918534000000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 96 coordinates: [ 0.538103425000000, 0.687349245000000, 0.918534000000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 97 coordinates: [ 0.461896575000000, 0.312650755000000, 0.081466000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 98 coordinates: [ 0.961896575000000, 0.312650755000000, 0.081466000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 99 coordinates: [ 0.461896575000000, 0.812650755000000, 0.081466000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 100 coordinates: [ 0.961896575000000, 0.812650755000000, 0.081466000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 101 coordinates: [ 0.145984090000000, 0.017420845000000, 0.251867330000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 102 coordinates: [ 0.645984090000000, 0.017420845000000, 0.251867330000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 103 coordinates: [ 0.145984090000000, 0.517420845000000, 0.251867330000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 104 coordinates: [ 0.645984090000000, 0.517420845000000, 0.251867330000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 105 coordinates: [ 0.482579155000000, 0.128563240000000, 0.251867330000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 106 coordinates: [ 0.982579155000000, 0.128563240000000, 0.251867330000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 107 coordinates: [ 0.482579155000000, 0.628563240000000, 0.251867330000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 108 coordinates: [ 0.982579155000000, 0.628563240000000, 0.251867330000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 109 coordinates: [ 0.350754180000000, 0.038103425000000, 0.081466000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 110 coordinates: [ 0.850754180000000, 0.038103425000000, 0.081466000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 111 coordinates: [ 0.350754180000000, 0.538103425000000, 0.081466000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 112 coordinates: [ 0.850754180000000, 0.538103425000000, 0.081466000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 113 coordinates: [ 0.187349245000000, 0.149245820000000, 0.081466000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 114 coordinates: [ 0.687349245000000, 0.149245820000000, 0.081466000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 115 coordinates: [ 0.187349245000000, 0.649245820000000, 0.081466000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 116 coordinates: [ 0.687349245000000, 0.649245820000000, 0.081466000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 117 coordinates: [ 0.371436760000000, 0.354015910000000, 0.251867330000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 118 coordinates: [ 0.871436760000000, 0.354015910000000, 0.251867330000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 119 coordinates: [ 0.371436760000000, 0.854015910000000, 0.251867330000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 120 coordinates: [ 0.871436760000000, 0.854015910000000, 0.251867330000000 ] mass: 15.999400 reduced_to: 69born_effective_charge:- # 1 (Y) - [ 3.837220550000000, 0.265666320000000, 0.000000000000000 ] - [ -0.265666320000000, 3.837220550000000, 0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, 4.168810910000000 ]- # 2 (Y) - [ 3.837220550000000, 0.265666320000000, 0.000000000000000 ] - [ -0.265666320000000, 3.837220550000000, 0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, 4.168810910000000 ]- # 3 (Bi) - [ 4.780530140000000, -0.097870930000000, -0.000000000000000 ] - [ 0.097870930000000, 4.780530140000000, -0.000000000000000 ] - [ -0.000000000000000, -0.000000000000000, 3.528681520000000 ]- # 4 (Bi) - [ 4.780530140000000, -0.097870930000000, -0.000000000000000 ] - [ 0.097870930000000, 4.780530140000000, -0.000000000000000 ] - [ -0.000000000000000, -0.000000000000000, 3.528681520000000 ]- # 5 (O) - [ -2.718675700000000, -0.404418210000000, 0.352812830000000 ] - [ -0.292554610000000, -3.026491430000000, -0.795647460000000 ] - [ 0.634928850000000, -0.579229900000000, -2.565830810000000 ]- # 6 (O) - [ -3.251335581494693, -0.014976716294054, 0.512644496549384 ] - [ 0.096886884815084, -2.493831548505308, 0.703368604493192 ] - [ 0.184163383807013, 0.839479462349727, -2.565830810000000 ]- # 7 (O) - [ -2.647739413429969, 0.251599524712582, -0.865457326549384 ] - [ 0.363463127450360, -3.097427716570031, 0.092278855506808 ] - [ -0.819092233807012, -0.260249562349728, -2.565830809999999 ]- # 8 (O) - [ -2.647739413429969, 0.251599524712582, -0.865457326549384 ] - [ 0.363463127450360, -3.097427716570031, 0.092278855506808 ] - [ -0.819092233807012, -0.260249562349728, -2.565830809999999 ]- # 9 (O) - [ -3.251335581494693, -0.014976716294054, 0.512644496549384 ] - [ 0.096886884815084, -2.493831548505308, 0.703368604493192 ] - [ 0.184163383807013, 0.839479462349727, -2.565830810000000 ]- # 10 (O) - [ -2.718675700000000, -0.404418210000000, 0.352812830000000 ] - [ -0.292554610000000, -3.026491430000000, -0.795647460000000 ] - [ 0.634928850000000, -0.579229900000000, -2.565830810000000 ]dielectric_constant: - [ 5.601147710000000, 0.000004290000000, 0.000000000000000 ] - [ -0.000004280000000, 5.601147710000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 5.160770570000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, -0.0000000000335129, 0.0000000000000000 ] forces: - [ -0.1391799300000000, -0.0008336500000000, 0.0004686800000000 ] - [ 0.0063093400000000, -0.0001142100000000, -0.0001995300000000 ] - [ 0.0006024800000000, -0.0031658800000000, -0.0000285500000000 ] - [ 0.0008150000000000, 0.0032906600000000, 0.0003458800000000 ] - [ 0.0191814400000000, -0.0158647500000000, -0.0091704600000000 ] - [ 0.0203434600000000, 0.0155737600000000, 0.0054788700000000 ] - [ -0.0074644600000000, 0.0005946200000000, 0.0036847000000000 ] - [ 0.0011992100000000, -0.0000049800000000, -0.0000298600000000 ] - [ 0.0005466600000000, 0.0000284500000000, -0.0008683900000000 ] - [ -0.0002388500000000, 0.0012425300000000, 0.0015772000000000 ] - [ -0.0008971700000000, -0.0000390200000000, -0.0006115800000000 ] - [ 0.0013977400000000, -0.0004809300000000, 0.0000337700000000 ] - [ 0.0000834100000000, -0.0001873700000000, -0.0003638600000000 ] - [ -0.0004171500000000, -0.0001027100000000, 0.0009516200000000 ] - [ 0.0001882900000000, 0.0000010900000000, -0.0000324300000000 ] - [ -0.0000912700000000, 0.0002882700000000, -0.0006882500000000 ] - [ -0.0002317100000000, 0.0004228900000000, 0.0026168100000000 ] - [ 0.0005441200000000, -0.0007930900000000, -0.0019919100000000 ] - [ 0.0013928300000000, 0.0004848900000000, 0.0000333200000000 ] - [ -0.0008959700000000, -0.0008602500000000, -0.0005355300000000 ] - [ -0.0055274400000000, -0.0000050100000000, -0.0000175800000000 ] - [ 0.0036824100000000, -0.0004466400000000, 0.0000196500000000 ] - [ -0.0009588500000000, -0.0022306400000000, 0.0000760800000000 ] - [ -0.0001748900000000, 0.0026753800000000, -0.0002034100000000 ] - [ 0.0109661100000000, 0.0172840600000000, 0.0108039000000000 ] - [ 0.0111348500000000, -0.0081773800000000, -0.0071453000000000 ] - [ 0.0046370200000000, -0.0002893100000000, 0.0000091400000000 ] - [ -0.0109831200000000, 0.0044715900000000, -0.0036818500000000 ] - [ 0.0055883300000000, 0.0030326200000000, -0.0056267300000000 ] - [ 0.0063955200000000, -0.0097234700000000, 0.0077873200000000 ] - [ 0.0015539300000000, 0.0007363100000000, -0.0000112700000000 ] - [ -0.0050756700000000, -0.0040498400000000, -0.0021819000000000 ] - [ -0.0229339200000000, -0.0002464700000000, -0.0000688000000000 ] - [ 0.0037558500000000, -0.0001741800000000, -0.0001789600000000 ] - [ 0.0001544900000000, -0.0025116700000000, -0.0006978500000000 ] - [ -0.0000715100000000, 0.0017813600000000, 0.0009337500000000 ] - [ -0.0008034500000000, 0.0001142900000000, -0.0000168100000000 ] - [ 0.0008074700000000, -0.0000589300000000, 0.0001293600000000 ] - [ -0.0000215800000000, -0.0005014900000000, -0.0001991700000000 ] - [ 0.0000099700000000, 0.0004369300000000, 0.0000197600000000 ] - [ 0.0000419900000000, -0.0003443000000000, 0.0006653700000000 ] - [ -0.0000535200000000, 0.0003884600000000, -0.0005908900000000 ] - [ -0.0006397800000000, -0.0000611900000000, -0.0000269000000000 ] - [ 0.0006746400000000, 0.0000942000000000, 0.0000140300000000 ] - [ 0.0103543600000000, -0.0136627100000000, 0.0108114200000000 ] - [ 0.0099746200000000, 0.0048609000000000, -0.0079629400000000 ] - [ -0.0058388800000000, -0.0047422400000000, -0.0029457000000000 ] - [ 0.0031571400000000, 0.0014540400000000, -0.0000189200000000 ] - [ 0.0018732500000000, 0.0068137500000000, -0.0010493800000000 ] - [ -0.0029122400000000, -0.0036155300000000, 0.0005561200000000 ] - [ 0.0111528800000000, -0.0047804000000000, -0.0021010300000000 ] - [ -0.0036338400000000, -0.0000848100000000, 0.0008840500000000 ] - [ 0.0145209200000000, 0.0039483100000000, -0.0047753900000000 ] - [ -0.0044438800000000, -0.0014765400000000, 0.0024371800000000 ] - [ -0.0007021500000000, 0.0009684200000000, -0.0001559700000000 ] - [ 0.0001326100000000, -0.0004633300000000, -0.0002392900000000 ] - [ 0.0157784000000000, -0.0017617200000000, 0.0023563200000000 ] - [ -0.0044207300000000, 0.0001741400000000, -0.0014662700000000 ] - [ 0.0009501000000000, 0.0024623500000000, 0.0002391600000000 ] - [ -0.0002627500000000, -0.0012907600000000, -0.0003973500000000 ] - [ 0.0301111500000000, -0.0069790800000000, 0.0064901100000000 ] - [ -0.0053553700000000, 0.0007673700000000, 0.0013273700000000 ] - [ 0.0004620100000000, 0.0012639300000000, -0.0001722400000000 ] - [ -0.0011479300000000, -0.0009851200000000, -0.0004907500000000 ] - [ -0.0053917100000000, 0.0018097900000000, -0.0003937300000000 ] - [ 0.0238198700000000, 0.0120171300000000, -0.0052897200000000 ] - [ 0.0035617200000000, -0.0023856000000000, -0.0002784500000000 ] - [ -0.0015578500000000, 0.0016914900000000, -0.0004204600000000 ] - [ 0.0099159500000000, -0.0004008200000000, 0.0028916600000000 ] - [ -0.0024601700000000, -0.0004572400000000, 0.0005674700000000 ] - [ -0.0016120000000000, 0.0038741900000000, 0.0017194700000000 ] - [ 0.0016485900000000, -0.0041084500000000, -0.0026703400000000 ] - [ 0.0028081300000000, 0.0002740500000000, 0.0011157700000000 ] - [ -0.0019161400000000, -0.0001837500000000, -0.0019378000000000 ] - [ -0.0001305600000000, -0.0002351400000000, -0.0001600600000000 ] - [ 0.0006897600000000, 0.0014858100000000, 0.0021122100000000 ] - [ 0.0001809200000000, -0.0001453600000000, 0.0000365400000000 ] - [ -0.0002623100000000, -0.0000577000000000, -0.0000443600000000 ] - [ 0.0003060500000000, 0.0002908600000000, -0.0002064900000000 ] - [ -0.0002540200000000, -0.0001581900000000, 0.0001709700000000 ] - [ -0.0001110000000000, 0.0003130600000000, -0.0000675900000000 ] - [ 0.0002859600000000, -0.0003935300000000, 0.0001361000000000 ] - [ 0.0003346600000000, 0.0000145700000000, 0.0001412200000000 ] - [ -0.0004393900000000, -0.0000238600000000, -0.0002520500000000 ] - [ -0.0004744300000000, -0.0001490600000000, 0.0001458200000000 ] - [ 0.0022123300000000, 0.0001045900000000, -0.0001597800000000 ] - [ -0.0001941500000000, -0.0012107000000000, 0.0013796500000000 ] - [ -0.0013261100000000, 0.0026308400000000, -0.0031203800000000 ] - [ -0.0001048700000000, 0.0008713200000000, 0.0006822300000000 ] - [ -0.0003126800000000, -0.0004241100000000, 0.0001286100000000 ] - [ 0.0027220600000000, -0.0002643800000000, -0.0008324100000000 ] - [ -0.0012543700000000, 0.0003778200000000, 0.0011329300000000 ] - [ -0.0003223000000000, 0.0000286900000000, 0.0000341100000000 ] - [ 0.0003717600000000, -0.0001363500000000, -0.0002153100000000 ] - [ 0.0001103000000000, 0.0000578400000000, 0.0000731500000000 ] - [ -0.0002544400000000, 0.0001327500000000, 0.0000452600000000 ] - [ 0.0004443500000000, 0.0000724700000000, 0.0000477400000000 ] - [ -0.0004592400000000, 0.0000000500000000, -0.0000207900000000 ] - [ -0.0003109200000000, 0.0006861500000000, 0.0006087000000000 ] - [ 0.0004755000000000, -0.0007929800000000, -0.0005962800000000 ] - [ 0.0025968500000000, -0.0025142200000000, -0.0029375800000000 ] - [ -0.0023495500000000, 0.0002933600000000, 0.0016355000000000 ] - [ -0.0039987500000000, 0.0042397800000000, -0.0007786700000000 ] - [ 0.0013451200000000, -0.0020908100000000, 0.0011670900000000 ] - [ -0.0004761100000000, 0.0010040300000000, 0.0036908500000000 ] - [ -0.0026521800000000, -0.0008154700000000, -0.0029913900000000 ] - [ 0.0016880700000000, -0.0016132700000000, 0.0027255400000000 ] - [ -0.0001785900000000, 0.0016736100000000, -0.0002461000000000 ] - [ 0.0009002400000000, 0.0000170200000000, 0.0005795000000000 ] - [ -0.0010392800000000, 0.0000486600000000, -0.0006603800000000 ] - [ 0.0001801100000000, 0.0004722800000000, 0.0001328500000000 ] - [ -0.0000794600000000, -0.0003526800000000, 0.0000584300000000 ] - [ 0.0007602800000000, 0.0004893500000000, -0.0005866700000000 ] - [ -0.0007259900000000, -0.0003672500000000, 0.0005049600000000 ] - [ 0.0000800100000000, 0.0002057400000000, 0.0000005200000000 ] - [ -0.0000825600000000, -0.0002124300000000, 0.0000926500000000 ] - [ 0.0040855000000000, 0.0020017400000000, -0.0008573400000000 ] - [ -0.0043187600000000, -0.0002690900000000, 0.0009098900000000 ] - [ 0.0004399600000000, 0.0021025800000000, 0.0017151900000000 ] - [ -0.0020101600000000, -0.0040651400000000, -0.0044663700000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000335129, 0.0000000000000000 ] forces: - [ 0.1405305200000000, -0.0008342000000000, 0.0004927600000000 ] - [ -0.0063128300000000, 0.0001160200000000, 0.0002829000000000 ] - [ -0.0006233700000000, 0.0031835900000000, 0.0001027000000000 ] - [ -0.0008094000000000, -0.0032889200000000, -0.0002667700000000 ] - [ -0.0194490400000000, 0.0161214100000000, 0.0092295100000000 ] - [ -0.0201159100000000, -0.0153564400000000, -0.0054449900000000 ] - [ 0.0074754100000000, -0.0004610900000000, -0.0037910500000000 ] - [ -0.0011946500000000, -0.0000047900000000, -0.0000300000000000 ] - [ -0.0005442300000000, -0.0000290600000000, 0.0009399700000000 ] - [ 0.0002328500000000, -0.0012431900000000, -0.0015125400000000 ] - [ 0.0008956900000000, 0.0000426900000000, 0.0006702400000000 ] - [ -0.0013943800000000, 0.0004828200000000, 0.0000339600000000 ] - [ -0.0000847900000000, 0.0001857100000000, 0.0002954700000000 ] - [ 0.0004161300000000, 0.0001024000000000, -0.0010172000000000 ] - [ -0.0001885900000000, 0.0000011700000000, -0.0000327500000000 ] - [ 0.0000955400000000, -0.0002899400000000, 0.0006201600000000 ] - [ 0.0002398500000000, -0.0004219300000000, -0.0025666800000000 ] - [ -0.0005473900000000, 0.0007905000000000, 0.0020588100000000 ] - [ -0.0013996100000000, -0.0004791300000000, 0.0000334000000000 ] - [ 0.0008970600000000, 0.0008625300000000, 0.0005973400000000 ] - [ 0.0055378700000000, -0.0000049600000000, -0.0000179100000000 ] - [ -0.0036946300000000, 0.0004498700000000, -0.0000964200000000 ] - [ 0.0009566800000000, 0.0022379500000000, -0.0001467500000000 ] - [ 0.0001879800000000, -0.0026897400000000, 0.0001349900000000 ] - [ -0.0110441500000000, -0.0174455600000000, -0.0108869900000000 ] - [ -0.0111715400000000, 0.0080875400000000, 0.0071362800000000 ] - [ -0.0046450800000000, 0.0003188100000000, 0.0000090300000000 ] - [ 0.0110199900000000, -0.0045032000000000, 0.0037268600000000 ] - [ -0.0055366400000000, -0.0030692000000000, 0.0056076200000000 ] - [ -0.0063836100000000, 0.0096986400000000, -0.0077834900000000 ] - [ -0.0015627800000000, -0.0007231700000000, -0.0000111300000000 ] - [ 0.0050761600000000, 0.0040421200000000, 0.0021546200000000 ] - [ 0.0228899500000000, 0.0001765400000000, -0.0000695400000000 ] - [ -0.0037653400000000, 0.0001670400000000, 0.0002277300000000 ] - [ -0.0001567300000000, 0.0025235200000000, 0.0007326500000000 ] - [ 0.0000774200000000, -0.0017744100000000, -0.0009036900000000 ] - [ 0.0008042700000000, -0.0001144700000000, -0.0000167600000000 ] - [ -0.0008092000000000, 0.0000601100000000, -0.0001632000000000 ] - [ 0.0000199000000000, 0.0005033500000000, 0.0001670600000000 ] - [ -0.0000104400000000, -0.0004371900000000, -0.0000537900000000 ] - [ -0.0000410700000000, 0.0003448600000000, -0.0006354000000000 ] - [ 0.0000540200000000, -0.0003884100000000, 0.0006222200000000 ] - [ 0.0006421100000000, 0.0000600200000000, 0.0000603900000000 ] - [ -0.0006754100000000, -0.0000961800000000, 0.0000139200000000 ] - [ -0.0104339200000000, 0.0137355600000000, -0.0109556300000000 ] - [ -0.0099823600000000, -0.0048114200000000, 0.0078782700000000 ] - [ 0.0058921300000000, 0.0048398000000000, 0.0029797800000000 ] - [ -0.0031695300000000, -0.0014635300000000, -0.0000188100000000 ] - [ -0.0018587100000000, -0.0069143500000000, 0.0010456900000000 ] - [ 0.0029267900000000, 0.0035458300000000, -0.0005610400000000 ] - [ -0.0110845100000000, 0.0044224500000000, 0.0019082600000000 ] - [ 0.0036724200000000, 0.0000352600000000, -0.0009040400000000 ] - [ -0.0137858400000000, -0.0038826100000000, 0.0054525800000000 ] - [ 0.0044250300000000, 0.0014624500000000, -0.0024562100000000 ] - [ 0.0006645900000000, -0.0010113100000000, 0.0001680000000000 ] - [ -0.0001869300000000, 0.0003996300000000, 0.0002608400000000 ] - [ -0.0158174900000000, 0.0018877500000000, -0.0022671000000000 ] - [ 0.0044669900000000, -0.0001918700000000, 0.0014692000000000 ] - [ -0.0008751600000000, -0.0024893000000000, -0.0002163700000000 ] - [ 0.0003159500000000, 0.0012716800000000, 0.0004064700000000 ] - [ -0.0325034200000000, 0.0075746500000000, -0.0075946700000000 ] - [ 0.0052706600000000, -0.0007471200000000, -0.0013056200000000 ] - [ -0.0005089400000000, -0.0012869700000000, 0.0001558400000000 ] - [ 0.0010873300000000, 0.0010006600000000, 0.0004725700000000 ] - [ 0.0054536200000000, -0.0017829300000000, 0.0003956700000000 ] - [ -0.0232171700000000, -0.0110562200000000, 0.0047711100000000 ] - [ -0.0035686200000000, 0.0024271300000000, 0.0002594300000000 ] - [ 0.0015973000000000, -0.0016472000000000, 0.0004044800000000 ] - [ -0.0100918700000000, 0.0003603300000000, -0.0027211800000000 ] - [ 0.0024463500000000, 0.0005166300000000, -0.0005607600000000 ] - [ 0.0016078300000000, -0.0038511700000000, -0.0017165700000000 ] - [ -0.0016627900000000, 0.0041465000000000, 0.0026778300000000 ] - [ -0.0027853200000000, -0.0003225700000000, -0.0010337100000000 ] - [ 0.0019474300000000, 0.0001235700000000, 0.0020221700000000 ] - [ 0.0001486000000000, 0.0001733700000000, 0.0002365700000000 ] - [ -0.0006762100000000, -0.0015425100000000, -0.0020341600000000 ] - [ -0.0002099500000000, 0.0001106900000000, -0.0000616500000000 ] - [ 0.0002349900000000, 0.0000230000000000, 0.0000185900000000 ] - [ -0.0003332900000000, -0.0003260900000000, 0.0001818200000000 ] - [ 0.0002250300000000, 0.0001232100000000, -0.0001949200000000 ] - [ 0.0001543700000000, -0.0003208400000000, 0.0000417000000000 ] - [ -0.0002412100000000, 0.0003870500000000, -0.0001597900000000 ] - [ -0.0002910100000000, -0.0000207100000000, -0.0001664000000000 ] - [ 0.0004835800000000, 0.0000168300000000, 0.0002280700000000 ] - [ 0.0004174200000000, 0.0001606500000000, -0.0000691100000000 ] - [ -0.0022669400000000, -0.0000773000000000, 0.0002421600000000 ] - [ 0.0001252800000000, 0.0012232500000000, -0.0012946800000000 ] - [ 0.0012662500000000, -0.0026160600000000, 0.0031967200000000 ] - [ 0.0001450800000000, -0.0008274200000000, -0.0006028200000000 ] - [ 0.0003584500000000, 0.0004654700000000, -0.0000526800000000 ] - [ -0.0026732600000000, 0.0003109100000000, 0.0009156800000000 ] - [ 0.0012802000000000, -0.0003316400000000, -0.0010365900000000 ] - [ 0.0003049400000000, 0.0000133700000000, -0.0000587000000000 ] - [ -0.0003885500000000, 0.0001773900000000, 0.0001901200000000 ] - [ -0.0001270200000000, -0.0000177900000000, -0.0000994000000000 ] - [ 0.0002384100000000, -0.0000905900000000, -0.0000694100000000 ] - [ -0.0004287800000000, -0.0001123800000000, -0.0000201800000000 ] - [ 0.0004764500000000, -0.0000436000000000, 0.0000474400000000 ] - [ 0.0003280800000000, -0.0007276400000000, -0.0005835100000000 ] - [ -0.0004634800000000, 0.0007559900000000, 0.0006260500000000 ] - [ -0.0026739600000000, 0.0024905500000000, 0.0028711600000000 ] - [ 0.0023249100000000, -0.0003342800000000, -0.0017260600000000 ] - [ 0.0039651600000000, -0.0042949300000000, 0.0007075500000000 ] - [ -0.0013882800000000, 0.0020523800000000, -0.0012508400000000 ] - [ 0.0005436200000000, -0.0010100200000000, -0.0037662500000000 ] - [ 0.0027174000000000, 0.0007955500000000, 0.0029302100000000 ] - [ -0.0016295300000000, 0.0016046100000000, -0.0028026000000000 ] - [ 0.0002209100000000, -0.0017271500000000, 0.0001654800000000 ] - [ -0.0009437700000000, -0.0000094900000000, -0.0005538700000000 ] - [ 0.0009994300000000, -0.0000412700000000, 0.0006907000000000 ] - [ -0.0002232300000000, -0.0004655500000000, -0.0001063200000000 ] - [ 0.0000340700000000, 0.0003600300000000, -0.0000337800000000 ] - [ -0.0007354500000000, -0.0004572900000000, 0.0006150200000000 ] - [ 0.0007564800000000, 0.0004019600000000, -0.0004777200000000 ] - [ -0.0000503800000000, -0.0001719300000000, 0.0000249300000000 ] - [ 0.0001096900000000, 0.0002477000000000, -0.0000657300000000 ] - [ -0.0041182200000000, -0.0019508100000000, 0.0007907100000000 ] - [ 0.0043092900000000, 0.0003141700000000, -0.0009881800000000 ] - [ -0.0004347900000000, -0.0020376700000000, -0.0017886700000000 ] - [ 0.0019987800000000, 0.0041514700000000, 0.0044232900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.1332031500000000 ] - [ -0.0002408100000000, 0.0002198000000000, -0.0048095900000000 ] - [ -0.0000699500000000, -0.0003184400000000, -0.0048095900000000 ] - [ 0.0003107500000000, 0.0000986500000000, -0.0048095900000000 ] - [ -0.0091971800000000, 0.0009762000000000, -0.0133136600000000 ] - [ 0.0054440000000000, 0.0074768900000000, -0.0133136600000000 ] - [ 0.0037531700000000, -0.0084530900000000, -0.0133136600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0048579600000000 ] - [ -0.0020315200000000, 0.0018313700000000, 0.0036050100000000 ] - [ 0.0026017800000000, 0.0008436600000000, 0.0036050100000000 ] - [ -0.0005702600000000, -0.0026750400000000, 0.0036050100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024736300000000 ] - [ -0.0003325300000000, -0.0009512600000000, 0.0038918300000000 ] - [ 0.0009900800000000, 0.0001876500000000, 0.0038918300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015863000000000 ] - [ -0.0006575500000000, 0.0007636100000000, 0.0038918300000000 ] - [ 0.0015347600000000, 0.0001512500000000, 0.0036019600000000 ] - [ -0.0008983700000000, 0.0012535100000000, 0.0036019600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024794900000000 ] - [ -0.0006363900000000, -0.0014047700000000, 0.0036019600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0143968100000000 ] - [ 0.0000586000000000, -0.0001594800000000, 0.0021138200000000 ] - [ 0.0001088100000000, 0.0001304900000000, 0.0021138200000000 ] - [ -0.0001674100000000, 0.0000289900000000, 0.0021138200000000 ] - [ 0.0091134900000000, 0.0077510500000000, 0.0009249900000000 ] - [ -0.0112693500000000, 0.0040169900000000, 0.0009249900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012583000000000 ] - [ 0.0021558600000000, -0.0117680400000000, 0.0009249900000000 ] - [ -0.0111917400000000, -0.0039514700000000, 0.0034290100000000 ] - [ 0.0090179500000000, -0.0077166000000000, 0.0034290100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008772800000000 ] - [ 0.0021738000000000, 0.0116680700000000, 0.0034290100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0477217400000000 ] - [ -0.0002460800000000, 0.0014240100000000, -0.0005748400000000 ] - [ -0.0011101900000000, -0.0009251200000000, -0.0005748400000000 ] - [ 0.0013562700000000, -0.0004988900000000, -0.0005748400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039022200000000 ] - [ -0.0001802500000000, 0.0002104200000000, 0.0023924400000000 ] - [ -0.0000921000000000, -0.0002613100000000, 0.0023924400000000 ] - [ 0.0002723500000000, 0.0000508900000000, 0.0023924400000000 ] - [ 0.0001684300000000, 0.0000080600000000, 0.0027708600000000 ] - [ -0.0000772400000000, -0.0001499000000000, 0.0027708600000000 ] - [ -0.0000912000000000, 0.0001418400000000, 0.0027708600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026928500000000 ] - [ 0.0078220900000000, -0.0059330200000000, 0.0033989400000000 ] - [ -0.0090491900000000, -0.0038076200000000, 0.0033989400000000 ] - [ 0.0012271000000000, 0.0097406400000000, 0.0033989400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008339300000000 ] - [ -0.0016079900000000, 0.0019097000000000, 0.0035052700000000 ] - [ 0.0010700600000000, 0.0012195500000000, 0.0035829600000000 ] - [ -0.0025961200000000, 0.0071081900000000, 0.0143081600000000 ] - [ -0.0017802000000000, 0.0004393100000000, 0.0023918700000000 ] - [ 0.0053221800000000, 0.0020497000000000, 0.0162538300000000 ] - [ 0.0012721300000000, -0.0016491900000000, 0.0029077700000000 ] - [ 0.0012664000000000, -0.0016419900000000, 0.0023614100000000 ] - [ -0.0005869200000000, 0.0001663000000000, 0.0019683800000000 ] - [ -0.0044361900000000, 0.0035843000000000, 0.0162538300000000 ] - [ 0.0001494400000000, -0.0005914400000000, 0.0019683800000000 ] - [ 0.0007921800000000, 0.0019262900000000, 0.0029077700000000 ] - [ 0.0007888100000000, 0.0019177300000000, 0.0023614100000000 ] - [ 0.0074539300000000, -0.0013057900000000, 0.0143081600000000 ] - [ 0.0024578500000000, 0.0004377100000000, 0.0035052700000000 ] - [ 0.0005211300000000, -0.0015364800000000, 0.0035829600000000 ] - [ 0.0012705600000000, 0.0013220400000000, 0.0023918700000000 ] - [ -0.0015911900000000, 0.0003169300000000, 0.0035829600000000 ] - [ -0.0048578100000000, -0.0058024000000000, 0.0143081600000000 ] - [ -0.0008498600000000, -0.0023474100000000, 0.0035052700000000 ] - [ 0.0005096400000000, -0.0017613600000000, 0.0023918700000000 ] - [ -0.0008860000000000, -0.0056340000000000, 0.0162538300000000 ] - [ -0.0020552100000000, -0.0002757400000000, 0.0023614100000000 ] - [ 0.0004374800000000, 0.0004251400000000, 0.0019683800000000 ] - [ -0.0020643100000000, -0.0002771000000000, 0.0029077700000000 ] - [ 0.0047353100000000, 0.0004838600000000, -0.0032436800000000 ] - [ -0.0015593900000000, -0.0003132500000000, -0.0016507900000000 ] - [ 0.0002416200000000, 0.0005657900000000, -0.0002928800000000 ] - [ -0.0009958400000000, -0.0027258200000000, -0.0031875900000000 ] - [ 0.0003348400000000, 0.0006453200000000, -0.0021898000000000 ] - [ -0.0001802500000000, 0.0002364800000000, -0.0016404700000000 ] - [ 0.0002454800000000, 0.0009577400000000, -0.0022858700000000 ] - [ 0.0001520500000000, 0.0008203200000000, -0.0020815600000000 ] - [ -0.0001146800000000, -0.0002743400000000, -0.0016404700000000 ] - [ -0.0009521700000000, -0.0002662800000000, -0.0022858700000000 ] - [ -0.0007262800000000, -0.0000326700000000, -0.0021898000000000 ] - [ -0.0007864400000000, -0.0002784800000000, -0.0020815600000000 ] - [ 0.0003691800000000, -0.0004921500000000, -0.0002928800000000 ] - [ -0.0019486200000000, -0.0043428200000000, -0.0032436800000000 ] - [ 0.0005084100000000, 0.0015070900000000, -0.0016507900000000 ] - [ -0.0018627100000000, 0.0022253400000000, -0.0031875900000000 ] - [ 0.0010509700000000, -0.0011938400000000, -0.0016507900000000 ] - [ -0.0006108000000000, -0.0000736400000000, -0.0002928800000000 ] - [ -0.0027866900000000, 0.0038589600000000, -0.0032436800000000 ] - [ 0.0028585600000000, 0.0005004900000000, -0.0031875900000000 ] - [ 0.0007066900000000, -0.0006914700000000, -0.0022858700000000 ] - [ 0.0003914400000000, -0.0006126400000000, -0.0021898000000000 ] - [ 0.0002949200000000, 0.0000378600000000, -0.0016404700000000 ] - [ 0.0006343900000000, -0.0005418400000000, -0.0020815600000000 ] - [ 0.0007255300000000, -0.0001860000000000, -0.0027953000000000 ] - [ 0.0003830400000000, -0.0003539300000000, -0.0016036200000000 ] - [ 0.0006118200000000, -0.0007787100000000, -0.0017974900000000 ] - [ 0.0004319200000000, -0.0006906000000000, -0.0019197600000000 ] - [ -0.0030402900000000, -0.0034940200000000, -0.0040282900000000 ] - [ 0.0020257200000000, -0.0001236200000000, -0.0020234100000000 ] - [ -0.0008976300000000, 0.0015901300000000, -0.0007688700000000 ] - [ 0.0004543200000000, 0.0011860800000000, -0.0012752000000000 ] - [ 0.0045460600000000, -0.0008859600000000, -0.0040282900000000 ] - [ -0.0012543400000000, -0.0001995800000000, -0.0012752000000000 ] - [ -0.0009058000000000, 0.0018161400000000, -0.0020234100000000 ] - [ -0.0009282800000000, -0.0015724300000000, -0.0007688700000000 ] - [ -0.0005238500000000, -0.0005353300000000, -0.0027953000000000 ] - [ -0.0009802900000000, -0.0001404900000000, -0.0017974900000000 ] - [ -0.0008140400000000, -0.0000287500000000, -0.0019197600000000 ] - [ -0.0004980400000000, -0.0001547600000000, -0.0016036200000000 ] - [ -0.0002016900000000, 0.0007213300000000, -0.0027953000000000 ] - [ 0.0003821200000000, 0.0007193600000000, -0.0019197600000000 ] - [ 0.0001149900000000, 0.0005086900000000, -0.0016036200000000 ] - [ 0.0003684700000000, 0.0009192000000000, -0.0017974900000000 ] - [ -0.0015057700000000, 0.0043799800000000, -0.0040282900000000 ] - [ 0.0018259100000000, -0.0000177000000000, -0.0007688700000000 ] - [ 0.0008000200000000, -0.0009865000000000, -0.0012752000000000 ] - [ -0.0011199200000000, -0.0016925200000000, -0.0020234100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.1309206300000000 ] - [ 0.0002419100000000, -0.0002093400000000, 0.0048552200000000 ] - [ 0.0000603400000000, 0.0003141700000000, 0.0048552200000000 ] - [ -0.0003022500000000, -0.0001048300000000, 0.0048552200000000 ] - [ 0.0092014800000000, -0.0010140100000000, 0.0131200500000000 ] - [ -0.0054789000000000, -0.0074617100000000, 0.0131200500000000 ] - [ -0.0037225800000000, 0.0084757300000000, 0.0131200500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047686500000000 ] - [ 0.0020188500000000, -0.0018157100000000, -0.0035267200000000 ] - [ -0.0025818700000000, -0.0008405200000000, -0.0035267200000000 ] - [ 0.0005630300000000, 0.0026562300000000, -0.0035267200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023966700000000 ] - [ 0.0003272800000000, 0.0009412900000000, -0.0039394100000000 ] - [ -0.0009788200000000, -0.0001872100000000, -0.0039394100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016492300000000 ] - [ 0.0006515400000000, -0.0007540800000000, -0.0039394100000000 ] - [ -0.0015556100000000, -0.0001528200000000, -0.0035295200000000 ] - [ 0.0009101500000000, -0.0012707900000000, -0.0035295200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023904500000000 ] - [ 0.0006454600000000, 0.0014236100000000, -0.0035295200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0145947500000000 ] - [ -0.0000571800000000, 0.0001643400000000, -0.0021608000000000 ] - [ -0.0001137300000000, -0.0001316900000000, -0.0021608000000000 ] - [ 0.0001709100000000, -0.0000326500000000, -0.0021608000000000 ] - [ -0.0091232900000000, -0.0077035900000000, -0.0008288300000000 ] - [ 0.0112331500000000, -0.0040492100000000, -0.0008288300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012769000000000 ] - [ -0.0021098600000000, 0.0117528000000000, -0.0008288300000000 ] - [ 0.0111209400000000, 0.0039097300000000, -0.0034480500000000 ] - [ -0.0089464000000000, 0.0076761500000000, -0.0034480500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008418300000000 ] - [ -0.0021745400000000, -0.0115858800000000, -0.0034480500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0468035800000000 ] - [ 0.0002438300000000, -0.0014130200000000, 0.0005972600000000 ] - [ 0.0011018000000000, 0.0009176700000000, 0.0005972600000000 ] - [ -0.0013456200000000, 0.0004953500000000, 0.0005972600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039283900000000 ] - [ 0.0001807100000000, -0.0002076400000000, -0.0024135700000000 ] - [ 0.0000894700000000, 0.0002603200000000, -0.0024135700000000 ] - [ -0.0002701800000000, -0.0000526800000000, -0.0024135700000000 ] - [ -0.0001763900000000, -0.0000028100000000, -0.0027295600000000 ] - [ 0.0000857600000000, 0.0001541600000000, -0.0027295600000000 ] - [ 0.0000906300000000, -0.0001513500000000, -0.0027295600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026507400000000 ] - [ -0.0078349400000000, 0.0058867900000000, -0.0033706400000000 ] - [ 0.0090155800000000, 0.0038418700000000, -0.0033706400000000 ] - [ -0.0011806400000000, -0.0097286500000000, -0.0033706400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008033900000000 ] - [ 0.0016143400000000, -0.0019499800000000, -0.0035059500000000 ] - [ -0.0010418300000000, -0.0012647500000000, -0.0035814500000000 ] - [ 0.0027922500000000, -0.0076805400000000, -0.0144701600000000 ] - [ 0.0017902100000000, -0.0004939200000000, -0.0023946100000000 ] - [ -0.0046620500000000, -0.0020202800000000, -0.0155883100000000 ] - [ -0.0013105200000000, 0.0016003300000000, -0.0028738500000000 ] - [ -0.0012969400000000, 0.0015923600000000, -0.0023358700000000 ] - [ 0.0005401000000000, -0.0002115500000000, -0.0019439600000000 ] - [ 0.0040806400000000, -0.0030273100000000, -0.0155883100000000 ] - [ -0.0000868400000000, 0.0005735100000000, -0.0019439600000000 ] - [ -0.0007306700000000, -0.0019351100000000, -0.0028738500000000 ] - [ -0.0007305500000000, -0.0019193700000000, -0.0023358700000000 ] - [ -0.0080476700000000, 0.0014221100000000, -0.0144701600000000 ] - [ -0.0024959000000000, -0.0004230700000000, -0.0035059500000000 ] - [ -0.0005743900000000, 0.0015346300000000, -0.0035814500000000 ] - [ -0.0013228500000000, -0.0013034000000000, -0.0023946100000000 ] - [ 0.0016162200000000, -0.0002698800000000, -0.0035814500000000 ] - [ 0.0052554200000000, 0.0062584300000000, -0.0144701600000000 ] - [ 0.0008815600000000, 0.0023730500000000, -0.0035059500000000 ] - [ -0.0004673500000000, 0.0017973200000000, -0.0023946100000000 ] - [ 0.0005814100000000, 0.0050476000000000, -0.0155883100000000 ] - [ 0.0020275000000000, 0.0003270000000000, -0.0023358700000000 ] - [ -0.0004532600000000, -0.0003619600000000, -0.0019439600000000 ] - [ 0.0020411800000000, 0.0003347800000000, -0.0028738500000000 ] - [ -0.0046870000000000, -0.0005344700000000, 0.0033018000000000 ] - [ 0.0015680900000000, 0.0002512900000000, 0.0017333500000000 ] - [ -0.0002261100000000, -0.0006191500000000, 0.0003758900000000 ] - [ 0.0010045700000000, 0.0026509400000000, 0.0032541900000000 ] - [ -0.0003587000000000, -0.0006786700000000, 0.0021548900000000 ] - [ 0.0001481800000000, -0.0002699900000000, 0.0016080500000000 ] - [ -0.0002732900000000, -0.0009849900000000, 0.0022489100000000 ] - [ -0.0001795800000000, -0.0008494000000000, 0.0020458900000000 ] - [ 0.0001597300000000, 0.0002633200000000, 0.0016080500000000 ] - [ 0.0009896700000000, 0.0002558100000000, 0.0022489100000000 ] - [ 0.0007670900000000, 0.0000286900000000, 0.0021548900000000 ] - [ 0.0008253900000000, 0.0002691700000000, 0.0020458900000000 ] - [ -0.0004231400000000, 0.0005053900000000, 0.0003758900000000 ] - [ 0.0018806400000000, 0.0043262900000000, 0.0033018000000000 ] - [ -0.0005664200000000, -0.0014836500000000, 0.0017333500000000 ] - [ 0.0017934900000000, -0.0021954500000000, 0.0032541900000000 ] - [ -0.0010016700000000, 0.0012323600000000, 0.0017333500000000 ] - [ 0.0006492500000000, 0.0001137500000000, 0.0003758900000000 ] - [ 0.0028063600000000, -0.0037918300000000, 0.0033018000000000 ] - [ -0.0027980600000000, -0.0004554900000000, 0.0032541900000000 ] - [ -0.0007163800000000, 0.0007291700000000, 0.0022489100000000 ] - [ -0.0004084000000000, 0.0006499700000000, 0.0021548900000000 ] - [ -0.0003079100000000, 0.0000066700000000, 0.0016080500000000 ] - [ -0.0006458100000000, 0.0005802200000000, 0.0020458900000000 ] - [ -0.0007153900000000, 0.0001367400000000, 0.0028248800000000 ] - [ -0.0003646200000000, 0.0003074600000000, 0.0016189500000000 ] - [ -0.0005959200000000, 0.0007416600000000, 0.0018164300000000 ] - [ -0.0004146800000000, 0.0006511300000000, 0.0019399000000000 ] - [ 0.0030419200000000, 0.0035133500000000, 0.0039726100000000 ] - [ -0.0020621700000000, 0.0000855200000000, 0.0019179400000000 ] - [ 0.0008468000000000, -0.0016096000000000, 0.0006770400000000 ] - [ -0.0005037700000000, -0.0012200900000000, 0.0011788300000000 ] - [ -0.0045636100000000, 0.0008777100000000, 0.0039726100000000 ] - [ 0.0013085100000000, 0.0001737700000000, 0.0011788300000000 ] - [ 0.0009570300000000, -0.0018286500000000, 0.0019179400000000 ] - [ 0.0009705600000000, 0.0015381500000000, 0.0006770400000000 ] - [ 0.0004761100000000, 0.0005511700000000, 0.0028248800000000 ] - [ 0.0009402600000000, 0.0001452500000000, 0.0018164300000000 ] - [ 0.0007712300000000, 0.0000335600000000, 0.0019399000000000 ] - [ 0.0004485800000000, 0.0001620400000000, 0.0016189500000000 ] - [ 0.0002392700000000, -0.0006879100000000, 0.0028248800000000 ] - [ -0.0003565500000000, -0.0006846900000000, 0.0019399000000000 ] - [ -0.0000839600000000, -0.0004695000000000, 0.0016189500000000 ] - [ -0.0003443400000000, -0.0008869200000000, 0.0018164300000000 ] - [ 0.0015216900000000, -0.0043910600000000, 0.0039726100000000 ] - [ -0.0018173500000000, 0.0000714600000000, 0.0006770400000000 ] - [ -0.0008047400000000, 0.0010463200000000, 0.0011788300000000 ] - [ 0.0011051400000000, 0.0017431300000000, 0.0019179400000000 ]- atom: 25 displacement: [ 0.0100000000000000, -0.0000000000335129, 0.0000000000000000 ] forces: - [ 0.0109985000000000, 0.0082694400000000, 0.0091840200000000 ] - [ 0.0111077600000000, -0.0171898700000000, -0.0111528900000000 ] - [ 0.0046358800000000, 0.0002922200000000, 0.0000371400000000 ] - [ -0.0109822400000000, -0.0046290000000000, 0.0021536300000000 ] - [ -0.0050565600000000, 0.0030704400000000, 0.0021183800000000 ] - [ 0.0015548000000000, -0.0007240900000000, -0.0000332400000000 ] - [ 0.0063788900000000, -0.0025957000000000, 0.0089598400000000 ] - [ 0.0055409200000000, 0.0101427400000000, -0.0111430800000000 ] - [ -0.0006395600000000, -0.0000517900000000, -0.0000546000000000 ] - [ 0.0006721700000000, -0.0000942400000000, 0.0000380600000000 ] - [ 0.0000412500000000, -0.0003339600000000, 0.0002078500000000 ] - [ -0.0000511800000000, 0.0004001700000000, -0.0000429600000000 ] - [ -0.0008037400000000, -0.0001135700000000, -0.0000295700000000 ] - [ 0.0008083300000000, 0.0000240300000000, -0.0002094400000000 ] - [ -0.0000219700000000, -0.0004193800000000, -0.0001199300000000 ] - [ 0.0000111500000000, 0.0005200700000000, 0.0002416600000000 ] - [ -0.0229078500000000, 0.0002116800000000, 0.0001230800000000 ] - [ 0.0037507400000000, 0.0004396000000000, -0.0002264100000000 ] - [ 0.0001555200000000, -0.0019123900000000, -0.0010761700000000 ] - [ -0.0000712300000000, 0.0023793800000000, 0.0013748400000000 ] - [ 0.0099777500000000, 0.0139315500000000, -0.0090816100000000 ] - [ 0.0104068200000000, -0.0045706600000000, 0.0077664400000000 ] - [ 0.0031542100000000, -0.0014647400000000, -0.0000406400000000 ] - [ -0.0058730400000000, 0.0043359200000000, 0.0011794200000000 ] - [ -0.1050083600000000, 0.0000882200000000, 0.0005644500000000 ] - [ 0.0115404500000000, 0.0004979100000000, -0.0002421900000000 ] - [ 0.0013909900000000, -0.0063500400000000, 0.0000452300000000 ] - [ 0.0005313700000000, 0.0058399700000000, 0.0002243700000000 ] - [ -0.0046923000000000, 0.0000016600000000, -0.0000230900000000 ] - [ 0.0034643000000000, 0.0004038800000000, -0.0001998000000000 ] - [ 0.0003707600000000, -0.0021910800000000, 0.0005205900000000 ] - [ -0.0003298500000000, 0.0017859300000000, -0.0003476100000000 ] - [ 0.0007757900000000, 0.0011741800000000, 0.0018374100000000 ] - [ -0.0002491800000000, -0.0012348200000000, -0.0021710900000000 ] - [ 0.0013323600000000, -0.0003206600000000, 0.0000196000000000 ] - [ -0.0018230700000000, 0.0008634100000000, 0.0003948200000000 ] - [ 0.0001400900000000, 0.0006658700000000, -0.0014744000000000 ] - [ 0.0004867500000000, -0.0004702500000000, 0.0009039300000000 ] - [ 0.0006417600000000, -0.0000009500000000, -0.0000167600000000 ] - [ -0.0006697600000000, -0.0001939800000000, 0.0005348200000000 ] - [ -0.0018236300000000, 0.0003271100000000, 0.0005261600000000 ] - [ 0.0013350200000000, 0.0003192100000000, 0.0000161000000000 ] - [ -0.0002605700000000, -0.0017649500000000, -0.0020948100000000 ] - [ 0.0007875600000000, 0.0006425200000000, 0.0016293300000000 ] - [ -0.0133751600000000, -0.0012764700000000, -0.0077510800000000 ] - [ 0.0014454000000000, 0.0000098900000000, -0.0000215100000000 ] - [ 0.0278566700000000, -0.0226718900000000, -0.0042074900000000 ] - [ 0.0255616600000000, 0.0235961900000000, 0.0117643100000000 ] - [ 0.0005624000000000, -0.0001207500000000, 0.0031450200000000 ] - [ -0.0000081800000000, 0.0010809700000000, 0.0001040900000000 ] - [ -0.0100173800000000, 0.0004311000000000, -0.0021449400000000 ] - [ 0.0058672700000000, -0.0033686100000000, 0.0018713800000000 ] - [ -0.0016489700000000, -0.0002249200000000, -0.0011414600000000 ] - [ 0.0022092700000000, 0.0013113100000000, 0.0025008900000000 ] - [ -0.0026886000000000, -0.0026568300000000, 0.0015569700000000 ] - [ 0.0012440100000000, 0.0025205000000000, -0.0032589700000000 ] - [ -0.0000260800000000, -0.0015697700000000, -0.0019535000000000 ] - [ -0.0013138900000000, 0.0020642800000000, 0.0019049200000000 ] - [ -0.0028617000000000, 0.0003140600000000, -0.0014669800000000 ] - [ 0.0038539800000000, -0.0016553300000000, 0.0019769300000000 ] - [ 0.0106140600000000, -0.0023206500000000, -0.0000842300000000 ] - [ -0.0036579300000000, 0.0005274500000000, -0.0009833800000000 ] - [ -0.0048123000000000, 0.0057016300000000, -0.0042356700000000 ] - [ 0.0012422900000000, -0.0076687400000000, 0.0018275400000000 ] - [ 0.0027018100000000, 0.0061345200000000, 0.0002864900000000 ] - [ -0.0013021500000000, -0.0022974700000000, 0.0008606300000000 ] - [ 0.0078907000000000, 0.0005596700000000, -0.0015173600000000 ] - [ -0.0071148300000000, -0.0018139300000000, 0.0010728000000000 ] - [ 0.0004502000000000, -0.0015145400000000, -0.0044701600000000 ] - [ -0.0029498800000000, 0.0016555000000000, 0.0052215900000000 ] - [ -0.0002238600000000, -0.0009478200000000, -0.0000773500000000 ] - [ 0.0004792600000000, 0.0007131800000000, -0.0007549000000000 ] - [ 0.0008184000000000, 0.0001514800000000, 0.0001062700000000 ] - [ -0.0009207100000000, -0.0001385900000000, 0.0001876700000000 ] - [ -0.0002838300000000, 0.0004239600000000, 0.0001174500000000 ] - [ 0.0003781600000000, -0.0005126400000000, -0.0001894100000000 ] - [ 0.0005513100000000, -0.0004657000000000, 0.0000242800000000 ] - [ -0.0005517600000000, 0.0002361700000000, -0.0000513700000000 ] - [ -0.0004021800000000, 0.0001650700000000, 0.0002734200000000 ] - [ 0.0003224200000000, -0.0000560700000000, -0.0003282800000000 ] - [ 0.0003017800000000, -0.0001188900000000, 0.0002440900000000 ] - [ -0.0002141600000000, -0.0001256600000000, -0.0001500900000000 ] - [ 0.0003826800000000, 0.0001973400000000, 0.0003932000000000 ] - [ -0.0003799800000000, -0.0000161000000000, -0.0004616600000000 ] - [ 0.0001867400000000, 0.0010848600000000, 0.0000804600000000 ] - [ -0.0003462200000000, -0.0008828300000000, -0.0001048900000000 ] - [ 0.0005356300000000, -0.0001283700000000, 0.0001011600000000 ] - [ -0.0005956500000000, -0.0001095100000000, 0.0000776500000000 ] - [ 0.0000855700000000, -0.0000450400000000, -0.0000851400000000 ] - [ 0.0000746400000000, 0.0000523800000000, 0.0000275400000000 ] - [ -0.0010361300000000, 0.0001867000000000, 0.0002196900000000 ] - [ 0.0009737200000000, -0.0001669500000000, -0.0000889100000000 ] - [ 0.0005490500000000, 0.0000829900000000, -0.0001088400000000 ] - [ -0.0007158200000000, -0.0001753200000000, 0.0001556600000000 ] - [ 0.0004551300000000, 0.0006248900000000, 0.0003915700000000 ] - [ -0.0003231300000000, -0.0005291700000000, -0.0005640100000000 ] - [ -0.0007406400000000, -0.0024032500000000, 0.0017981300000000 ] - [ 0.0000319000000000, 0.0015705200000000, -0.0013976500000000 ] - [ -0.0008459300000000, 0.0001686600000000, 0.0002132900000000 ] - [ 0.0024498200000000, 0.0002006000000000, -0.0008409700000000 ] - [ 0.0162274800000000, 0.0021701300000000, -0.0038849300000000 ] - [ -0.0071708800000000, -0.0001462500000000, -0.0002989800000000 ] - [ -0.0003858000000000, -0.0000380100000000, 0.0002131100000000 ] - [ -0.0000356800000000, -0.0015190400000000, -0.0000023600000000 ] - [ -0.0045538600000000, -0.0001500400000000, -0.0010758100000000 ] - [ 0.0155332500000000, 0.0007885800000000, 0.0015216500000000 ] - [ -0.0024233500000000, -0.0055772900000000, -0.0012922800000000 ] - [ 0.0024428300000000, 0.0045733200000000, 0.0021593100000000 ] - [ -0.0018099000000000, 0.0004959800000000, 0.0024614100000000 ] - [ 0.0007540400000000, -0.0011876500000000, -0.0025054900000000 ] - [ -0.0005876500000000, -0.0000468400000000, -0.0003974600000000 ] - [ 0.0009135900000000, -0.0006224200000000, -0.0006788700000000 ] - [ 0.0028550700000000, -0.0018853100000000, 0.0033660600000000 ] - [ -0.0014269700000000, -0.0000328800000000, -0.0010854100000000 ] - [ -0.0004859200000000, 0.0003324500000000, 0.0002323500000000 ] - [ 0.0000748900000000, -0.0005237100000000, -0.0010333500000000 ] - [ 0.0016828700000000, -0.0060120700000000, -0.0019524900000000 ] - [ -0.0011375400000000, 0.0031788400000000, 0.0009780800000000 ] - [ -0.0062500100000000, -0.0009607500000000, 0.0009764200000000 ] - [ 0.0143368900000000, 0.0013779100000000, 0.0014133300000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000335129, 0.0000000000000000 ] forces: - [ -0.0110132800000000, -0.0081691500000000, -0.0090516400000000 ] - [ -0.0112015400000000, 0.0173702300000000, 0.0113501000000000 ] - [ -0.0046480000000000, -0.0003160000000000, 0.0000377900000000 ] - [ 0.0110224200000000, 0.0046890300000000, -0.0021115900000000 ] - [ 0.0050959100000000, -0.0031122700000000, -0.0022308600000000 ] - [ -0.0015620900000000, 0.0007355200000000, -0.0000339900000000 ] - [ -0.0064002900000000, 0.0025525300000000, -0.0090063400000000 ] - [ -0.0055853200000000, -0.0102345100000000, 0.0111702900000000 ] - [ 0.0006422700000000, 0.0000472500000000, 0.0001280300000000 ] - [ -0.0006754300000000, 0.0000959500000000, 0.0000388100000000 ] - [ -0.0000438500000000, 0.0003340000000000, -0.0001334200000000 ] - [ 0.0000543600000000, -0.0004000500000000, 0.0001179700000000 ] - [ 0.0008055600000000, 0.0001150800000000, -0.0000302400000000 ] - [ -0.0008094100000000, -0.0000235500000000, 0.0001509900000000 ] - [ 0.0000211600000000, 0.0004205600000000, 0.0000610300000000 ] - [ -0.0000077400000000, -0.0005220800000000, -0.0003015400000000 ] - [ 0.0229185600000000, -0.0002120100000000, 0.0001239100000000 ] - [ -0.0037684100000000, -0.0004329400000000, 0.0002640100000000 ] - [ -0.0001521600000000, 0.0019098400000000, 0.0011366100000000 ] - [ 0.0000814200000000, -0.0023914300000000, -0.0013262200000000 ] - [ -0.0099799300000000, -0.0139460300000000, 0.0089830000000000 ] - [ -0.0103817500000000, 0.0046222700000000, -0.0078920000000000 ] - [ -0.0031729200000000, 0.0014533800000000, -0.0000414700000000 ] - [ 0.0058577800000000, -0.0042870900000000, -0.0012290600000000 ] - [ 0.1049625800000000, 0.0000882700000000, 0.0005453100000000 ] - [ -0.0115451400000000, -0.0004896900000000, 0.0002503000000000 ] - [ -0.0013907100000000, 0.0063598100000000, -0.0000274200000000 ] - [ -0.0005397800000000, -0.0058827000000000, -0.0001952700000000 ] - [ 0.0047034000000000, 0.0000017000000000, -0.0000229200000000 ] - [ -0.0034789800000000, -0.0004042700000000, 0.0001897900000000 ] - [ -0.0003684700000000, 0.0021990300000000, -0.0005424100000000 ] - [ 0.0003306500000000, -0.0017958500000000, 0.0003260100000000 ] - [ -0.0007855500000000, -0.0011674300000000, -0.0018028000000000 ] - [ 0.0002615400000000, 0.0012435300000000, 0.0022218200000000 ] - [ -0.0013392300000000, 0.0003157800000000, 0.0000195700000000 ] - [ 0.0018258200000000, -0.0008625800000000, -0.0003576900000000 ] - [ -0.0001461800000000, -0.0006667200000000, 0.0014509600000000 ] - [ -0.0004811900000000, 0.0004692400000000, -0.0009287900000000 ] - [ -0.0006453900000000, -0.0000007100000000, -0.0000168500000000 ] - [ 0.0006709400000000, 0.0001998600000000, -0.0005579000000000 ] - [ 0.0018249000000000, -0.0003399200000000, -0.0004832200000000 ] - [ -0.0013365600000000, -0.0003177100000000, 0.0000160200000000 ] - [ 0.0002501900000000, 0.0017726500000000, 0.0021386300000000 ] - [ -0.0007739300000000, -0.0006394700000000, -0.0015950300000000 ] - [ 0.0134010400000000, 0.0011294700000000, 0.0077395500000000 ] - [ -0.0014503000000000, 0.0000100200000000, -0.0000215500000000 ] - [ -0.0276751700000000, 0.0224439200000000, 0.0040644900000000 ] - [ -0.0258029600000000, -0.0239254900000000, -0.0119990300000000 ] - [ -0.0005443200000000, 0.0001066000000000, -0.0031500900000000 ] - [ 0.0000233400000000, -0.0011472900000000, -0.0001199000000000 ] - [ 0.0099635600000000, -0.0004547700000000, 0.0021069100000000 ] - [ -0.0069009500000000, 0.0032670600000000, -0.0015636100000000 ] - [ 0.0016162800000000, 0.0001816800000000, 0.0011532400000000 ] - [ -0.0022788100000000, -0.0013636800000000, -0.0024938400000000 ] - [ 0.0026679600000000, 0.0026396300000000, -0.0015567400000000 ] - [ -0.0012820500000000, -0.0025612100000000, 0.0032780800000000 ] - [ 0.0000946400000000, 0.0015562800000000, 0.0019823500000000 ] - [ 0.0013750700000000, -0.0020939900000000, -0.0019119300000000 ] - [ 0.0029196000000000, -0.0003235000000000, 0.0014763900000000 ] - [ -0.0038264600000000, 0.0016455200000000, -0.0019722600000000 ] - [ -0.0105244200000000, 0.0026161500000000, 0.0001641500000000 ] - [ 0.0036258900000000, -0.0005352000000000, 0.0009754200000000 ] - [ 0.0047753600000000, -0.0056760400000000, 0.0042176000000000 ] - [ -0.0013242800000000, 0.0077426800000000, -0.0018448200000000 ] - [ -0.0027045000000000, -0.0061287100000000, -0.0002938300000000 ] - [ 0.0013462100000000, 0.0023377900000000, -0.0008752200000000 ] - [ -0.0075822200000000, -0.0009143500000000, 0.0016737100000000 ] - [ 0.0071760100000000, 0.0018727500000000, -0.0010864200000000 ] - [ -0.0004586300000000, 0.0015635000000000, 0.0044745600000000 ] - [ 0.0029558600000000, -0.0016141600000000, -0.0052507100000000 ] - [ 0.0002060700000000, 0.0010139900000000, 0.0000939800000000 ] - [ -0.0004966800000000, -0.0006628300000000, 0.0007676500000000 ] - [ -0.0007989800000000, -0.0002061300000000, -0.0000274600000000 ] - [ 0.0009388500000000, 0.0000793200000000, -0.0001158800000000 ] - [ 0.0003038100000000, -0.0004838500000000, -0.0000449800000000 ] - [ -0.0003623800000000, 0.0004559200000000, 0.0002659500000000 ] - [ -0.0005792200000000, 0.0004345800000000, -0.0000546500000000 ] - [ 0.0005226500000000, -0.0002685200000000, 0.0000206000000000 ] - [ 0.0003787600000000, -0.0001997300000000, -0.0003041600000000 ] - [ -0.0003542900000000, 0.0000217400000000, 0.0003001000000000 ] - [ -0.0002603300000000, 0.0001163100000000, -0.0002756500000000 ] - [ 0.0002571800000000, 0.0001160300000000, 0.0001212400000000 ] - [ -0.0003383300000000, -0.0002058700000000, -0.0004226600000000 ] - [ 0.0004209700000000, 0.0000073500000000, 0.0004325300000000 ] - [ -0.0002483900000000, -0.0010744600000000, -0.0000067200000000 ] - [ 0.0002873100000000, 0.0008977300000000, 0.0001782300000000 ] - [ -0.0005920400000000, 0.0001393800000000, -0.0000213800000000 ] - [ 0.0005377500000000, 0.0001258300000000, -0.0000064300000000 ] - [ -0.0000435300000000, 0.0000915300000000, 0.0001602000000000 ] - [ -0.0000317200000000, -0.0000100300000000, 0.0000467900000000 ] - [ 0.0010851800000000, -0.0001439800000000, -0.0001497900000000 ] - [ -0.0009401800000000, 0.0002124800000000, 0.0001660400000000 ] - [ -0.0005665700000000, -0.0000412200000000, 0.0000799200000000 ] - [ 0.0007034000000000, 0.0002157400000000, -0.0001864300000000 ] - [ -0.0004692300000000, -0.0005858600000000, -0.0004223900000000 ] - [ 0.0003055200000000, 0.0005692400000000, 0.0005346500000000 ] - [ 0.0007602700000000, 0.0023709300000000, -0.0017788800000000 ] - [ -0.0000218100000000, -0.0016088800000000, 0.0014189600000000 ] - [ 0.0008604200000000, -0.0002061000000000, -0.0001787300000000 ] - [ -0.0024251400000000, -0.0002546300000000, 0.0008530400000000 ] - [ -0.0150971400000000, -0.0020618100000000, 0.0025759100000000 ] - [ 0.0071432800000000, 0.0000901400000000, 0.0002581900000000 ] - [ 0.0003369600000000, 0.0000116600000000, -0.0002916200000000 ] - [ -0.0000119100000000, 0.0014677700000000, -0.0000674500000000 ] - [ 0.0046257700000000, 0.0001225800000000, 0.0010157300000000 ] - [ -0.0157260900000000, -0.0005312400000000, -0.0019141700000000 ] - [ 0.0025048500000000, 0.0056225000000000, 0.0012296000000000 ] - [ -0.0023667500000000, -0.0045779200000000, -0.0022307100000000 ] - [ 0.0017840500000000, -0.0004897700000000, -0.0024423200000000 ] - [ -0.0008168200000000, 0.0011898000000000, 0.0025170200000000 ] - [ 0.0005464400000000, 0.0000592300000000, 0.0004304600000000 ] - [ -0.0009542500000000, 0.0006235600000000, 0.0006999400000000 ] - [ -0.0028201100000000, 0.0019373800000000, -0.0033512900000000 ] - [ 0.0014456300000000, 0.0000598900000000, 0.0011119200000000 ] - [ 0.0005188500000000, -0.0002976900000000, -0.0002040200000000 ] - [ -0.0000540300000000, 0.0005525900000000, 0.0010530600000000 ] - [ -0.0016946800000000, 0.0060925900000000, 0.0018814000000000 ] - [ 0.0011138100000000, -0.0031200300000000, -0.0010474400000000 ] - [ 0.0062318800000000, 0.0010226100000000, -0.0010400300000000 ] - [ -0.0144310700000000, -0.0014458500000000, -0.0015966300000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0108263800000000, 0.0019931900000000, 0.0008888100000000 ] - [ -0.0071393500000000, 0.0083793300000000, 0.0008888100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012377600000000 ] - [ -0.0036870400000000, -0.0103725200000000, 0.0008888100000000 ] - [ -0.0021532700000000, 0.0077363500000000, 0.0033843300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008961700000000 ] - [ 0.0077765100000000, -0.0020033900000000, 0.0033843300000000 ] - [ -0.0056232400000000, -0.0057329600000000, 0.0033843300000000 ] - [ -0.0000437800000000, 0.0007287800000000, 0.0027793200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026979800000000 ] - [ 0.0006530400000000, -0.0003264700000000, 0.0027793200000000 ] - [ -0.0006092500000000, -0.0004023100000000, 0.0027793200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038860200000000 ] - [ 0.0001465500000000, 0.0001257600000000, 0.0023673000000000 ] - [ -0.0001821900000000, 0.0000640400000000, 0.0023673000000000 ] - [ 0.0000356400000000, -0.0001898000000000, 0.0023673000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0468444800000000 ] - [ -0.0002052100000000, 0.0009411600000000, -0.0005496100000000 ] - [ -0.0007124600000000, -0.0006483000000000, -0.0005496100000000 ] - [ 0.0009176700000000, -0.0002928600000000, -0.0005496100000000 ] - [ -0.0078916600000000, -0.0079777600000000, 0.0033506000000000 ] - [ 0.0108547700000000, -0.0028455000000000, 0.0033506000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008449100000000 ] - [ -0.0029631100000000, 0.0108232600000000, 0.0033506000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1428496800000000 ] - [ -0.0002449300000000, 0.0000981200000000, -0.0033900600000000 ] - [ 0.0000374900000000, -0.0002611700000000, -0.0033900600000000 ] - [ 0.0002074400000000, 0.0001630500000000, -0.0033900600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0079675600000000 ] - [ -0.0001923200000000, -0.0005021800000000, 0.0008817400000000 ] - [ 0.0005310600000000, 0.0000845400000000, 0.0008817400000000 ] - [ -0.0003387400000000, 0.0004176400000000, 0.0008817400000000 ] - [ 0.0016163900000000, 0.0015218900000000, 0.0024502900000000 ] - [ -0.0021261900000000, 0.0006388900000000, 0.0024502900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011317400000000 ] - [ 0.0005098000000000, -0.0021607800000000, 0.0024502900000000 ] - [ -0.0014535800000000, -0.0002135800000000, 0.0031185300000000 ] - [ 0.0009117600000000, -0.0011520500000000, 0.0031185300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008160000000000 ] - [ 0.0005418300000000, 0.0013656300000000, 0.0031185300000000 ] - [ 0.0003722800000000, -0.0023113700000000, 0.0024546400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011386000000000 ] - [ -0.0021878500000000, 0.0008332800000000, 0.0024546400000000 ] - [ 0.0018155700000000, 0.0014780900000000, 0.0024546400000000 ] - [ -0.0077300800000000, -0.0092707000000000, -0.0160808200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034853200000000 ] - [ -0.0041636200000000, 0.0113297900000000, -0.0160808200000000 ] - [ 0.0118937000000000, -0.0020591000000000, -0.0160808200000000 ] - [ 0.0011770900000000, -0.0004869800000000, 0.0048820200000000 ] - [ -0.0004404500000000, 0.0016951800000000, 0.0019404200000000 ] - [ -0.0028421700000000, 0.0006123700000000, 0.0042430700000000 ] - [ 0.0100029200000000, 0.0029131200000000, 0.0065894500000000 ] - [ -0.0012326900000000, -0.0003289000000000, -0.0004767400000000 ] - [ 0.0018602100000000, -0.0014182300000000, -0.0032223400000000 ] - [ 0.0010172700000000, 0.0007403600000000, -0.0000930100000000 ] - [ -0.0003649400000000, 0.0014074100000000, -0.0017331900000000 ] - [ -0.0010363800000000, -0.0010197500000000, -0.0017331900000000 ] - [ 0.0009011800000000, -0.0009030900000000, -0.0004767400000000 ] - [ -0.0011498100000000, 0.0005108100000000, -0.0000930100000000 ] - [ 0.0002981200000000, 0.0023201000000000, -0.0032223400000000 ] - [ -0.0024786200000000, -0.0101193400000000, 0.0065894500000000 ] - [ 0.0016882900000000, -0.0004661500000000, 0.0019404200000000 ] - [ -0.0010102800000000, -0.0007759000000000, 0.0048820200000000 ] - [ 0.0019514200000000, 0.0021552100000000, 0.0042430700000000 ] - [ 0.0008907600000000, -0.0027675800000000, 0.0042430700000000 ] - [ -0.0012478500000000, -0.0012290300000000, 0.0019404200000000 ] - [ -0.0075243000000000, 0.0072062200000000, 0.0065894500000000 ] - [ -0.0001668000000000, 0.0012628800000000, 0.0048820200000000 ] - [ -0.0021583300000000, -0.0009018700000000, -0.0032223400000000 ] - [ 0.0014013200000000, -0.0003876600000000, -0.0017331900000000 ] - [ 0.0001325300000000, -0.0012511700000000, -0.0000930100000000 ] - [ 0.0003315100000000, 0.0012319900000000, -0.0004767400000000 ] - [ -0.0002297200000000, -0.0013622600000000, -0.0026343700000000 ] - [ 0.0010076600000000, -0.0001899600000000, -0.0013127700000000 ] - [ 0.0000745500000000, -0.0002281700000000, -0.0011139800000000 ] - [ 0.0007440600000000, -0.0000734400000000, -0.0014852600000000 ] - [ -0.0000369300000000, 0.0006997400000000, -0.0016126100000000 ] - [ -0.0001630100000000, 0.0008263700000000, -0.0015605100000000 ] - [ 0.0004668900000000, 0.0001944200000000, -0.0016751100000000 ] - [ -0.0001249400000000, 0.0005181500000000, -0.0018908200000000 ] - [ -0.0004018200000000, 0.0003071300000000, -0.0016751100000000 ] - [ -0.0006341500000000, -0.0005543600000000, -0.0015605100000000 ] - [ -0.0003862600000000, -0.0003672800000000, -0.0018908200000000 ] - [ -0.0005875300000000, -0.0003818500000000, -0.0016126100000000 ] - [ -0.0004356300000000, -0.0006076500000000, -0.0014852600000000 ] - [ -0.0006683400000000, -0.0007776800000000, -0.0013127700000000 ] - [ -0.0010648900000000, 0.0008800800000000, -0.0026343700000000 ] - [ -0.0002348700000000, 0.0000495200000000, -0.0011139800000000 ] - [ 0.0001603200000000, 0.0001786500000000, -0.0011139800000000 ] - [ -0.0003393200000000, 0.0009676400000000, -0.0013127700000000 ] - [ -0.0003084300000000, 0.0006810900000000, -0.0014852600000000 ] - [ 0.0012946200000000, 0.0004821900000000, -0.0026343700000000 ] - [ 0.0005112000000000, -0.0001508700000000, -0.0018908200000000 ] - [ 0.0007971600000000, -0.0002720100000000, -0.0015605100000000 ] - [ 0.0006244600000000, -0.0003178900000000, -0.0016126100000000 ] - [ -0.0000650700000000, -0.0005015500000000, -0.0016751100000000 ] - [ 0.0007505500000000, 0.0014065800000000, -0.0015594000000000 ] - [ -0.0001657600000000, 0.0011802300000000, -0.0014574300000000 ] - [ -0.0002786400000000, -0.0003201800000000, 0.0000511500000000 ] - [ 0.0020949600000000, -0.0044021100000000, -0.0047732700000000 ] - [ -0.0095636100000000, -0.0036824900000000, 0.0303559000000000 ] - [ -0.0016139700000000, -0.0006176800000000, 0.0024989700000000 ] - [ 0.0000900900000000, -0.0007006600000000, 0.0008559600000000 ] - [ -0.0011767200000000, -0.0021780800000000, 0.0018059500000000 ] - [ 0.0024746300000000, 0.0000699700000000, 0.0018059500000000 ] - [ 0.0079709300000000, -0.0064410800000000, 0.0303559000000000 ] - [ 0.0005617400000000, 0.0004283500000000, 0.0008559600000000 ] - [ 0.0013419100000000, -0.0010889000000000, 0.0024989700000000 ] - [ 0.0011049900000000, -0.0004465600000000, -0.0014574300000000 ] - [ -0.0048598200000000, 0.0003867600000000, -0.0047732700000000 ] - [ -0.0001379600000000, 0.0004014000000000, 0.0000511500000000 ] - [ 0.0008428600000000, -0.0013532800000000, -0.0015594000000000 ] - [ 0.0027648500000000, 0.0040153400000000, -0.0047732700000000 ] - [ -0.0015934100000000, -0.0000533000000000, -0.0015594000000000 ] - [ 0.0004166100000000, -0.0000812200000000, 0.0000511500000000 ] - [ -0.0009392300000000, -0.0007336700000000, -0.0014574300000000 ] - [ 0.0002720600000000, 0.0017065800000000, 0.0024989700000000 ] - [ -0.0012979100000000, 0.0021081100000000, 0.0018059500000000 ] - [ -0.0006518300000000, 0.0002723100000000, 0.0008559600000000 ] - [ 0.0015926800000000, 0.0101235700000000, 0.0303559000000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0108635600000000, -0.0019742700000000, -0.0008662000000000 ] - [ 0.0071415400000000, -0.0084209900000000, -0.0008662000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013017000000000 ] - [ 0.0037220200000000, 0.0103952500000000, -0.0008662000000000 ] - [ 0.0021832100000000, -0.0077406800000000, -0.0034929900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008224700000000 ] - [ -0.0077952400000000, 0.0019796200000000, -0.0034929900000000 ] - [ 0.0056120200000000, 0.0057610600000000, -0.0034929900000000 ] - [ 0.0000434700000000, -0.0007195100000000, -0.0027204300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026423200000000 ] - [ -0.0006448500000000, 0.0003221100000000, -0.0027204300000000 ] - [ 0.0006013800000000, 0.0003974000000000, -0.0027204300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039489300000000 ] - [ -0.0001461300000000, -0.0001280300000000, -0.0024378000000000 ] - [ 0.0001839400000000, -0.0000625300000000, -0.0024378000000000 ] - [ -0.0000378200000000, 0.0001905700000000, -0.0024378000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0476768900000000 ] - [ 0.0002015200000000, -0.0009458300000000, 0.0006232400000000 ] - [ 0.0007183500000000, 0.0006474400000000, 0.0006232400000000 ] - [ -0.0009198700000000, 0.0002983900000000, 0.0006232400000000 ] - [ 0.0079503400000000, 0.0080113000000000, -0.0034198900000000 ] - [ -0.0109131600000000, 0.0028795400000000, -0.0034198900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007926700000000 ] - [ 0.0029628200000000, -0.0108908500000000, -0.0034198900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1466037300000000 ] - [ 0.0002477400000000, -0.0001017800000000, 0.0034316700000000 ] - [ -0.0000357300000000, 0.0002654400000000, 0.0034316700000000 ] - [ -0.0002120200000000, -0.0001636600000000, 0.0034316700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0079736700000000 ] - [ 0.0001970700000000, 0.0005002000000000, -0.0009181100000000 ] - [ -0.0005317200000000, -0.0000794400000000, -0.0009181100000000 ] - [ 0.0003346500000000, -0.0004207600000000, -0.0009181100000000 ] - [ -0.0016081400000000, -0.0015052700000000, -0.0024283400000000 ] - [ 0.0021076700000000, -0.0006400500000000, -0.0024283400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011123800000000 ] - [ -0.0004995300000000, 0.0021453200000000, -0.0024283400000000 ] - [ 0.0014721800000000, 0.0002141400000000, -0.0031595900000000 ] - [ -0.0009215400000000, 0.0011678800000000, -0.0031595900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008461600000000 ] - [ -0.0005506400000000, -0.0013820200000000, -0.0031595900000000 ] - [ -0.0003802900000000, 0.0023268200000000, -0.0024241100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011055700000000 ] - [ 0.0022052300000000, -0.0008340700000000, -0.0024241100000000 ] - [ -0.0018249400000000, -0.0014927500000000, -0.0024241100000000 ] - [ 0.0077606300000000, 0.0092236300000000, 0.0161593400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034675300000000 ] - [ 0.0041075900000000, -0.0113327200000000, 0.0161593400000000 ] - [ -0.0118682200000000, 0.0021090800000000, 0.0161593400000000 ] - [ -0.0011662100000000, 0.0004478100000000, -0.0049098500000000 ] - [ 0.0004558300000000, -0.0017584600000000, -0.0019569700000000 ] - [ 0.0028797800000000, -0.0006655200000000, -0.0042603800000000 ] - [ -0.0101553100000000, -0.0029859100000000, -0.0064968100000000 ] - [ 0.0011944200000000, 0.0002862500000000, 0.0005025300000000 ] - [ -0.0018880400000000, 0.0013576800000000, 0.0032365200000000 ] - [ -0.0010615400000000, -0.0007880300000000, 0.0001142200000000 ] - [ 0.0003193500000000, -0.0014557400000000, 0.0017728300000000 ] - [ 0.0011010300000000, 0.0010044300000000, 0.0017728300000000 ] - [ -0.0008451000000000, 0.0008912700000000, 0.0005025300000000 ] - [ 0.0012132200000000, -0.0005253100000000, 0.0001142200000000 ] - [ -0.0002317600000000, -0.0023139300000000, 0.0032365200000000 ] - [ 0.0024917800000000, 0.0102877100000000, -0.0064968100000000 ] - [ -0.0017507900000000, 0.0004844700000000, -0.0019569700000000 ] - [ 0.0009709200000000, 0.0007860700000000, -0.0049098500000000 ] - [ -0.0020162500000000, -0.0021612000000000, -0.0042603800000000 ] - [ -0.0008635300000000, 0.0028267300000000, -0.0042603800000000 ] - [ 0.0012949600000000, 0.0012740000000000, -0.0019569700000000 ] - [ 0.0076635300000000, -0.0073018000000000, -0.0064968100000000 ] - [ 0.0001952900000000, -0.0012338700000000, -0.0049098500000000 ] - [ 0.0021198100000000, 0.0009562500000000, 0.0032365200000000 ] - [ -0.0014203800000000, 0.0004513000000000, 0.0017728300000000 ] - [ -0.0001516800000000, 0.0013133300000000, 0.0001142200000000 ] - [ -0.0003493100000000, -0.0011775200000000, 0.0005025300000000 ] - [ 0.0002386000000000, 0.0012962100000000, 0.0027103100000000 ] - [ -0.0009897100000000, 0.0001351400000000, 0.0013982600000000 ] - [ -0.0000619100000000, 0.0001721000000000, 0.0012002600000000 ] - [ -0.0007293300000000, 0.0000189500000000, 0.0015704700000000 ] - [ 0.0000089100000000, -0.0007371600000000, 0.0015886400000000 ] - [ 0.0001368800000000, -0.0008667600000000, 0.0015375600000000 ] - [ -0.0004998600000000, -0.0002285900000000, 0.0016529200000000 ] - [ 0.0000995100000000, -0.0005497900000000, 0.0018658200000000 ] - [ 0.0004479000000000, -0.0003186000000000, 0.0016529200000000 ] - [ 0.0006821900000000, 0.0005519200000000, 0.0015375600000000 ] - [ 0.0004263800000000, 0.0003610700000000, 0.0018658200000000 ] - [ 0.0006339500000000, 0.0003762900000000, 0.0015886400000000 ] - [ 0.0003810800000000, 0.0006221400000000, 0.0015704700000000 ] - [ 0.0006118900000000, 0.0007895400000000, 0.0013982600000000 ] - [ 0.0010032500000000, -0.0008547400000000, 0.0027103100000000 ] - [ 0.0001800000000000, -0.0000324300000000, 0.0012002600000000 ] - [ -0.0001180900000000, -0.0001396600000000, 0.0012002600000000 ] - [ 0.0003778200000000, -0.0009246800000000, 0.0013982600000000 ] - [ 0.0003482500000000, -0.0006411000000000, 0.0015704700000000 ] - [ -0.0012418500000000, -0.0004414700000000, 0.0027103100000000 ] - [ -0.0005258900000000, 0.0001887200000000, 0.0018658200000000 ] - [ -0.0008190700000000, 0.0003148300000000, 0.0015375600000000 ] - [ -0.0006428500000000, 0.0003608700000000, 0.0015886400000000 ] - [ 0.0000519700000000, 0.0005471900000000, 0.0016529200000000 ] - [ -0.0007392200000000, -0.0014568500000000, 0.0015837700000000 ] - [ 0.0001801300000000, -0.0012270400000000, 0.0014773100000000 ] - [ 0.0002977900000000, 0.0002784400000000, -0.0000295300000000 ] - [ -0.0020947600000000, 0.0044089200000000, 0.0048332000000000 ] - [ 0.0106116400000000, 0.0037706900000000, -0.0315331000000000 ] - [ 0.0015747600000000, 0.0005772300000000, -0.0025950800000000 ] - [ -0.0001310500000000, 0.0006632700000000, -0.0009409400000000 ] - [ 0.0011408500000000, 0.0021433200000000, -0.0018961600000000 ] - [ -0.0024265900000000, -0.0000836500000000, -0.0018961600000000 ] - [ -0.0085713300000000, 0.0073046100000000, -0.0315331000000000 ] - [ -0.0005088800000000, -0.0004451200000000, -0.0009409400000000 ] - [ -0.0012872700000000, 0.0010751600000000, -0.0025950800000000 ] - [ -0.0011527200000000, 0.0004575200000000, 0.0014773100000000 ] - [ 0.0048656200000000, -0.0003903400000000, 0.0048332000000000 ] - [ 0.0000922400000000, -0.0003971200000000, -0.0000295300000000 ] - [ -0.0008920600000000, 0.0013686100000000, 0.0015837700000000 ] - [ -0.0027708500000000, -0.0040185800000000, 0.0048332000000000 ] - [ 0.0016312800000000, 0.0000882400000000, 0.0015837700000000 ] - [ -0.0003900300000000, 0.0001186700000000, -0.0000295300000000 ] - [ 0.0009725800000000, 0.0007695200000000, 0.0014773100000000 ] - [ -0.0002874800000000, -0.0016523900000000, -0.0025950800000000 ] - [ 0.0012857400000000, -0.0020596700000000, -0.0018961600000000 ] - [ 0.0006399300000000, -0.0002181400000000, -0.0009409400000000 ] - [ -0.0020403100000000, -0.0110753000000000, -0.0315331000000000 ]- atom: 49 displacement: [ 0.0100000000000000, -0.0000000000335129, 0.0000000000000000 ] forces: - [ 0.0018897900000000, 0.0033974300000000, -0.0015759300000000 ] - [ -0.0029278800000000, -0.0032368300000000, 0.0010847100000000 ] - [ 0.0111422700000000, -0.0043019200000000, -0.0026200200000000 ] - [ -0.0036689700000000, -0.0004811600000000, -0.0017591000000000 ] - [ 0.0099866200000000, -0.0015948600000000, -0.0007134200000000 ] - [ -0.0024584300000000, 0.0000355700000000, -0.0020888800000000 ] - [ -0.0016141900000000, 0.0014515900000000, 0.0004039400000000 ] - [ 0.0016656000000000, -0.0020567800000000, -0.0020965900000000 ] - [ 0.0004376400000000, -0.0002945800000000, 0.0007579400000000 ] - [ -0.0004702600000000, 0.0001201600000000, 0.0004106200000000 ] - [ -0.0003198900000000, 0.0003587600000000, 0.0006422200000000 ] - [ 0.0004705900000000, -0.0003157100000000, 0.0004596600000000 ] - [ 0.0001191600000000, -0.0001723400000000, 0.0002705900000000 ] - [ -0.0002465000000000, 0.0001441600000000, 0.0006101600000000 ] - [ -0.0003147100000000, 0.0000578100000000, 0.0006813600000000 ] - [ 0.0003829100000000, 0.0000214100000000, 0.0003691200000000 ] - [ 0.0006901000000000, -0.0014889300000000, -0.0009794300000000 ] - [ -0.0001412300000000, 0.0003322500000000, 0.0002678400000000 ] - [ -0.0019376100000000, 0.0001959500000000, -0.0015320300000000 ] - [ 0.0028148000000000, 0.0002312300000000, 0.0047611200000000 ] - [ 0.0004422200000000, 0.0026154200000000, 0.0007677700000000 ] - [ -0.0020215200000000, -0.0005013600000000, -0.0011511400000000 ] - [ 0.0041056800000000, 0.0016624400000000, -0.0015619800000000 ] - [ -0.0043279500000000, -0.0041015900000000, 0.0017961900000000 ] - [ 0.0005520100000000, -0.0026304200000000, 0.0011862000000000 ] - [ -0.0000180400000000, 0.0015715500000000, -0.0004370600000000 ] - [ -0.0099773000000000, 0.0011960200000000, -0.0028348700000000 ] - [ 0.0068670900000000, 0.0000956800000000, 0.0100197200000000 ] - [ 0.0004907600000000, -0.0010276900000000, 0.0003310500000000 ] - [ -0.0002119300000000, 0.0012331900000000, 0.0001302900000000 ] - [ -0.0029627400000000, -0.0001082000000000, 0.0014006200000000 ] - [ 0.0004609900000000, -0.0003034200000000, -0.0021574900000000 ] - [ 0.0000291800000000, 0.0005606400000000, -0.0001550100000000 ] - [ -0.0007592500000000, -0.0003485400000000, 0.0007651600000000 ] - [ 0.0024431900000000, 0.0021422200000000, 0.0021216800000000 ] - [ -0.0008580600000000, -0.0001145100000000, -0.0002738100000000 ] - [ 0.0004642200000000, 0.0005124300000000, 0.0006199000000000 ] - [ -0.0003170800000000, -0.0002249500000000, -0.0000746900000000 ] - [ 0.0005580200000000, -0.0000879700000000, 0.0005055200000000 ] - [ -0.0007122900000000, -0.0001548900000000, 0.0007961000000000 ] - [ 0.0008114200000000, 0.0002770200000000, -0.0002193000000000 ] - [ -0.0009330600000000, 0.0005400600000000, 0.0010215700000000 ] - [ -0.0002935300000000, 0.0002737800000000, 0.0000861300000000 ] - [ 0.0003711800000000, -0.0009970200000000, 0.0007550700000000 ] - [ 0.0143608000000000, -0.0014725600000000, 0.0017156600000000 ] - [ -0.0062632800000000, 0.0034420400000000, -0.0006660800000000 ] - [ -0.0011219500000000, 0.0021319100000000, -0.0013087700000000 ] - [ 0.0016946500000000, -0.0050082200000000, 0.0002679100000000 ] - [ -0.0560544700000000, -0.0029335200000000, 0.0129692700000000 ] - [ 0.0032131600000000, 0.0002936200000000, 0.0002490800000000 ] - [ -0.0001394500000000, -0.0013369900000000, 0.0000461900000000 ] - [ -0.0001401500000000, 0.0029082500000000, 0.0008714500000000 ] - [ -0.0000139600000000, -0.0007973000000000, 0.0010122000000000 ] - [ 0.0022075900000000, 0.0023283800000000, -0.0012731900000000 ] - [ -0.0029221400000000, 0.0009481600000000, 0.0004897700000000 ] - [ 0.0010498400000000, -0.0001193900000000, 0.0002127600000000 ] - [ -0.0023577100000000, -0.0012780300000000, 0.0014751200000000 ] - [ 0.0012599900000000, 0.0000626000000000, 0.0000732600000000 ] - [ 0.0014926800000000, -0.0019126500000000, -0.0024633200000000 ] - [ 0.0005772700000000, 0.0003937300000000, 0.0010141000000000 ] - [ -0.0049048500000000, -0.0015269500000000, -0.0007699100000000 ] - [ 0.0024992200000000, -0.0011029300000000, 0.0014827600000000 ] - [ 0.0038483000000000, -0.0031201800000000, 0.0009294300000000 ] - [ 0.0012744700000000, 0.0094235100000000, 0.0031849200000000 ] - [ 0.0114209100000000, 0.0109470800000000, 0.0025781600000000 ] - [ 0.0033780000000000, -0.0081958000000000, 0.0033130500000000 ] - [ 0.0011094500000000, 0.0003043000000000, 0.0000161900000000 ] - [ -0.0035150400000000, -0.0011204800000000, 0.0022086300000000 ] - [ -0.0000389500000000, -0.0008770300000000, 0.0000997300000000 ] - [ 0.0002103400000000, 0.0015226800000000, -0.0002115100000000 ] - [ 0.0016330600000000, -0.0030589400000000, -0.0103187400000000 ] - [ 0.0003225800000000, 0.0002501800000000, 0.0008341000000000 ] - [ -0.0003057300000000, 0.0000833600000000, 0.0000020500000000 ] - [ 0.0004061900000000, -0.0003754000000000, -0.0004209700000000 ] - [ 0.0004119200000000, -0.0002854000000000, -0.0006887100000000 ] - [ 0.0000041500000000, 0.0002492000000000, 0.0002280000000000 ] - [ -0.0003935500000000, 0.0000239300000000, -0.0001323200000000 ] - [ 0.0004371400000000, 0.0000168400000000, -0.0004826800000000 ] - [ 0.0000298900000000, 0.0000836000000000, -0.0003311000000000 ] - [ -0.0000833300000000, 0.0002442700000000, -0.0003299700000000 ] - [ -0.0001525000000000, -0.0001640000000000, -0.0002121800000000 ] - [ 0.0000554700000000, -0.0000983500000000, -0.0003690400000000 ] - [ -0.0000483800000000, -0.0002633700000000, -0.0002242200000000 ] - [ -0.0001601900000000, 0.0003274300000000, -0.0004932600000000 ] - [ 0.0001844400000000, 0.0002377200000000, -0.0006444400000000 ] - [ -0.0000556000000000, -0.0001857200000000, 0.0001707700000000 ] - [ -0.0000375200000000, 0.0002932400000000, -0.0002507800000000 ] - [ -0.0005544100000000, -0.0010609300000000, -0.0003226500000000 ] - [ -0.0010188300000000, 0.0004004900000000, -0.0000701500000000 ] - [ 0.0008826600000000, -0.0000353700000000, -0.0006819900000000 ] - [ 0.0003795600000000, -0.0003822700000000, -0.0002379800000000 ] - [ -0.0001538300000000, 0.0003056100000000, -0.0001793300000000 ] - [ -0.0000568300000000, 0.0000761800000000, -0.0001467600000000 ] - [ 0.0001225000000000, -0.0002183200000000, -0.0004142200000000 ] - [ 0.0004475500000000, -0.0001180900000000, -0.0004276800000000 ] - [ -0.0002019100000000, 0.0000919700000000, -0.0002686900000000 ] - [ 0.0004101700000000, -0.0012505500000000, -0.0013913800000000 ] - [ 0.0000058300000000, 0.0002518900000000, 0.0005712500000000 ] - [ -0.0003054100000000, -0.0001487500000000, -0.0001794700000000 ] - [ 0.0004043700000000, 0.0008544700000000, -0.0005580800000000 ] - [ -0.0002887200000000, -0.0005588200000000, 0.0003040800000000 ] - [ -0.0001726700000000, 0.0008374000000000, -0.0002515600000000 ] - [ 0.0032150800000000, -0.0000719900000000, 0.0050193800000000 ] - [ 0.0129930400000000, 0.0007114600000000, -0.0166124100000000 ] - [ 0.0000791300000000, -0.0009877200000000, -0.0002594900000000 ] - [ 0.0023603600000000, 0.0054345700000000, 0.0010508100000000 ] - [ -0.0029873000000000, 0.0036359700000000, -0.0042770000000000 ] - [ 0.0024576600000000, -0.0010159700000000, 0.0016892400000000 ] - [ 0.0000154400000000, -0.0004034500000000, -0.0004114200000000 ] - [ 0.0002303600000000, 0.0004125100000000, 0.0005074800000000 ] - [ -0.0017403800000000, 0.0000153300000000, -0.0009685900000000 ] - [ 0.0014421400000000, -0.0002299900000000, -0.0004847700000000 ] - [ -0.0005947300000000, -0.0001283600000000, -0.0000791000000000 ] - [ 0.0005144100000000, 0.0000257500000000, 0.0001066000000000 ] - [ -0.0004026500000000, -0.0005758800000000, 0.0004632700000000 ] - [ 0.0003542800000000, 0.0015918200000000, -0.0019358700000000 ] - [ -0.0040996400000000, -0.0053779000000000, -0.0051121300000000 ] - [ 0.0026202900000000, 0.0007831600000000, 0.0007965000000000 ] - [ -0.0004431600000000, -0.0005003600000000, 0.0002570000000000 ] - [ 0.0000098400000000, 0.0018702800000000, -0.0001397400000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000335129, 0.0000000000000000 ] forces: - [ -0.0018424300000000, -0.0033774700000000, 0.0016462700000000 ] - [ 0.0029113600000000, 0.0032462000000000, -0.0010279200000000 ] - [ -0.0110952800000000, 0.0044442800000000, 0.0027666300000000 ] - [ 0.0036370900000000, 0.0004608600000000, 0.0018111400000000 ] - [ -0.0100205200000000, 0.0014484900000000, 0.0007487300000000 ] - [ 0.0024480400000000, -0.0000285300000000, 0.0019940800000000 ] - [ 0.0016058600000000, -0.0014548100000000, -0.0004865300000000 ] - [ -0.0016459500000000, 0.0020367500000000, 0.0020092400000000 ] - [ -0.0004355000000000, 0.0002926200000000, -0.0006832600000000 ] - [ 0.0004654800000000, -0.0001177100000000, -0.0003370800000000 ] - [ 0.0003190800000000, -0.0003593000000000, -0.0005658500000000 ] - [ -0.0004682300000000, 0.0003130600000000, -0.0003872900000000 ] - [ -0.0001184700000000, 0.0001710200000000, -0.0003322200000000 ] - [ 0.0002461100000000, -0.0001450600000000, -0.0006699500000000 ] - [ 0.0003124100000000, -0.0000564700000000, -0.0007415700000000 ] - [ -0.0003775600000000, -0.0000214300000000, -0.0004305700000000 ] - [ -0.0006760300000000, 0.0014724500000000, 0.0010212000000000 ] - [ 0.0001378000000000, -0.0003311200000000, -0.0001999200000000 ] - [ 0.0019262000000000, -0.0001919100000000, 0.0015954100000000 ] - [ -0.0027788300000000, -0.0002296800000000, -0.0046617000000000 ] - [ -0.0004322000000000, -0.0026012400000000, -0.0008366200000000 ] - [ 0.0019871400000000, 0.0005106300000000, 0.0010743000000000 ] - [ -0.0040986900000000, -0.0016487400000000, 0.0014658400000000 ] - [ 0.0043001600000000, 0.0040504600000000, -0.0018469300000000 ] - [ -0.0005548400000000, 0.0025734600000000, -0.0011582200000000 ] - [ 0.0000142400000000, -0.0015533700000000, 0.0004578000000000 ] - [ 0.0100027300000000, -0.0011980200000000, 0.0028868600000000 ] - [ -0.0059001000000000, -0.0000009700000000, -0.0101313600000000 ] - [ -0.0004858100000000, 0.0010146300000000, -0.0003481600000000 ] - [ 0.0002169800000000, -0.0012197200000000, -0.0001522200000000 ] - [ 0.0029406100000000, 0.0001055900000000, -0.0014214000000000 ] - [ -0.0004455600000000, 0.0003052200000000, 0.0021195700000000 ] - [ -0.0000254300000000, -0.0005589600000000, 0.0001909100000000 ] - [ 0.0007419100000000, 0.0003494100000000, -0.0007264300000000 ] - [ -0.0024326200000000, -0.0021434200000000, -0.0020687300000000 ] - [ 0.0008509400000000, 0.0001110200000000, 0.0003011700000000 ] - [ -0.0004596200000000, -0.0005077600000000, -0.0006465300000000 ] - [ 0.0003123000000000, 0.0002261900000000, 0.0000429400000000 ] - [ -0.0005572600000000, 0.0000881000000000, -0.0005311700000000 ] - [ 0.0007072500000000, 0.0001511200000000, -0.0008193700000000 ] - [ -0.0008056300000000, -0.0002727500000000, 0.0002486700000000 ] - [ 0.0009271400000000, -0.0005322200000000, -0.0009769400000000 ] - [ 0.0002938500000000, -0.0002761900000000, -0.0000523800000000 ] - [ -0.0003683000000000, 0.0009856700000000, -0.0007190000000000 ] - [ -0.0144063700000000, 0.0012868800000000, -0.0019100400000000 ] - [ 0.0062184100000000, -0.0033950800000000, 0.0006263000000000 ] - [ 0.0011270100000000, -0.0021397100000000, 0.0012765300000000 ] - [ -0.0016803900000000, 0.0049701600000000, -0.0002907700000000 ] - [ 0.0550245200000000, 0.0029493000000000, -0.0125493200000000 ] - [ -0.0031808700000000, -0.0003488400000000, -0.0002560500000000 ] - [ 0.0001507300000000, 0.0012852700000000, -0.0000556700000000 ] - [ 0.0001656800000000, -0.0029514000000000, -0.0008888800000000 ] - [ -0.0000318000000000, 0.0007477200000000, -0.0009912800000000 ] - [ -0.0021951500000000, -0.0023146400000000, 0.0012612100000000 ] - [ 0.0028608200000000, -0.0009942400000000, -0.0004774200000000 ] - [ -0.0010821600000000, 0.0000776100000000, -0.0001938300000000 ] - [ 0.0023931600000000, 0.0012603300000000, -0.0014614400000000 ] - [ -0.0011955600000000, -0.0000750300000000, -0.0000497900000000 ] - [ -0.0014107600000000, 0.0018648700000000, 0.0024285400000000 ] - [ -0.0005180900000000, -0.0004018400000000, -0.0009903600000000 ] - [ 0.0048146700000000, 0.0016537800000000, 0.0007704000000000 ] - [ -0.0025427300000000, 0.0011026700000000, -0.0014832900000000 ] - [ -0.0039027800000000, 0.0031622900000000, -0.0009311900000000 ] - [ -0.0013213600000000, -0.0093117100000000, -0.0031650700000000 ] - [ -0.0115124900000000, -0.0110868500000000, -0.0025881400000000 ] - [ -0.0033329900000000, 0.0081633200000000, -0.0032926200000000 ] - [ -0.0010724200000000, -0.0002502200000000, -0.0000311200000000 ] - [ 0.0035322000000000, 0.0011407400000000, -0.0022158600000000 ] - [ 0.0000208800000000, 0.0009288800000000, -0.0000872000000000 ] - [ -0.0002243700000000, -0.0014638000000000, 0.0002336600000000 ] - [ -0.0015926400000000, 0.0031122100000000, 0.0103332300000000 ] - [ -0.0003389400000000, -0.0001920700000000, -0.0008077300000000 ] - [ 0.0003208400000000, -0.0001405200000000, 0.0000736200000000 ] - [ -0.0003853600000000, 0.0003145900000000, 0.0004939200000000 ] - [ -0.0003914200000000, 0.0002282800000000, 0.0007618700000000 ] - [ 0.0000113300000000, -0.0003050700000000, -0.0001493700000000 ] - [ 0.0003623500000000, -0.0000584300000000, 0.0001054600000000 ] - [ -0.0004611100000000, -0.0000521500000000, 0.0004515500000000 ] - [ -0.0000578600000000, -0.0001168300000000, 0.0003023500000000 ] - [ 0.0000539500000000, -0.0002749400000000, 0.0003005100000000 ] - [ 0.0001950800000000, 0.0001540700000000, 0.0001846400000000 ] - [ -0.0000115600000000, 0.0000900800000000, 0.0003397800000000 ] - [ 0.0000905400000000, 0.0002547700000000, 0.0001953000000000 ] - [ 0.0002023500000000, -0.0003316500000000, 0.0004632900000000 ] - [ -0.0002408200000000, -0.0002234000000000, 0.0007179500000000 ] - [ -0.0000036600000000, 0.0001960900000000, -0.0000930700000000 ] - [ -0.0000203700000000, -0.0002729000000000, 0.0003253600000000 ] - [ 0.0004946200000000, 0.0010733900000000, 0.0003980000000000 ] - [ 0.0010540500000000, -0.0003549100000000, 0.0001484200000000 ] - [ -0.0008328200000000, 0.0000775300000000, 0.0007534300000000 ] - [ -0.0003357700000000, 0.0004236800000000, 0.0003104000000000 ] - [ 0.0001967500000000, -0.0002597500000000, 0.0002533100000000 ] - [ 0.0000405100000000, -0.0000352900000000, 0.0001199400000000 ] - [ -0.0001385700000000, 0.0002562600000000, 0.0003834100000000 ] - [ -0.0004601500000000, 0.0001588900000000, 0.0003972200000000 ] - [ 0.0001854300000000, -0.0000499100000000, 0.0002404700000000 ] - [ -0.0003932000000000, 0.0011985300000000, 0.0014069300000000 ] - [ 0.0000130500000000, -0.0002966400000000, -0.0005430200000000 ] - [ 0.0003210800000000, 0.0001071300000000, 0.0002027400000000 ] - [ -0.0003871300000000, -0.0008825900000000, 0.0005797600000000 ] - [ 0.0002339800000000, 0.0005190600000000, -0.0003756000000000 ] - [ 0.0001320100000000, -0.0008754000000000, 0.0001720000000000 ] - [ -0.0032426400000000, 0.0000160400000000, -0.0051416500000000 ] - [ -0.0128487900000000, -0.0007414900000000, 0.0162876700000000 ] - [ -0.0000240600000000, 0.0009605300000000, 0.0001786700000000 ] - [ -0.0022679900000000, -0.0053590800000000, -0.0011151900000000 ] - [ 0.0029828300000000, -0.0036270400000000, 0.0041738300000000 ] - [ -0.0023863900000000, 0.0010045800000000, -0.0017673300000000 ] - [ -0.0000597200000000, 0.0004078800000000, 0.0004337000000000 ] - [ -0.0002673000000000, -0.0004034300000000, -0.0004729000000000 ] - [ 0.0016840600000000, -0.0000094900000000, 0.0009864700000000 ] - [ -0.0014779300000000, 0.0002369500000000, 0.0005000500000000 ] - [ 0.0006158700000000, 0.0001588300000000, 0.0001066300000000 ] - [ -0.0004804400000000, 0.0000074200000000, -0.0000795100000000 ] - [ 0.0004296700000000, 0.0006113500000000, -0.0004407700000000 ] - [ -0.0003274100000000, -0.0015417200000000, 0.0019441300000000 ] - [ 0.0040565100000000, 0.0053923400000000, 0.0049878400000000 ] - [ -0.0026208600000000, -0.0007292200000000, -0.0008813300000000 ] - [ 0.0004253000000000, 0.0005534600000000, -0.0003339300000000 ] - [ -0.0000249300000000, -0.0017708700000000, 0.0000788100000000 ]- atom: 49 displacement: [ -0.0049999999815361, 0.0086602540485045, 0.0000000000000000 ] forces: - [ 0.0049966500000000, -0.0032502100000000, 0.0025091800000000 ] - [ -0.0016496500000000, -0.0003996800000000, 0.0005893800000000 ] - [ -0.0098569900000000, 0.0317280900000000, 0.0083191600000000 ] - [ 0.0017796400000000, -0.0002591800000000, 0.0013371400000000 ] - [ -0.0054329300000000, 0.0150714200000000, -0.0041310400000000 ] - [ 0.0008099500000000, 0.0001316700000000, 0.0007324100000000 ] - [ 0.0041731100000000, -0.0027473200000000, 0.0000788600000000 ] - [ -0.0044211100000000, -0.0014964300000000, 0.0007224800000000 ] - [ -0.0001373500000000, 0.0009864500000000, -0.0004686900000000 ] - [ 0.0002517800000000, 0.0000799900000000, -0.0004410900000000 ] - [ 0.0007763000000000, -0.0007328100000000, -0.0009325200000000 ] - [ -0.0009084600000000, -0.0002906300000000, -0.0007630500000000 ] - [ -0.0000262300000000, -0.0001683400000000, -0.0001716900000000 ] - [ 0.0002198800000000, -0.0004074300000000, -0.0008434300000000 ] - [ 0.0001644200000000, 0.0004004900000000, -0.0010077200000000 ] - [ -0.0003254500000000, 0.0001723800000000, -0.0007835500000000 ] - [ 0.0009760000000000, -0.0009428200000000, -0.0017997000000000 ] - [ -0.0001088100000000, -0.0005794200000000, 0.0004317600000000 ] - [ 0.0008296800000000, 0.0002970800000000, 0.0005667500000000 ] - [ -0.0011475500000000, 0.0019271700000000, -0.0018987400000000 ] - [ 0.0015763400000000, -0.0022018500000000, -0.0013170500000000 ] - [ -0.0025666300000000, 0.0004401900000000, -0.0009710700000000 ] - [ -0.0003457600000000, -0.0007708000000000, 0.0045301300000000 ] - [ 0.0019145600000000, 0.0008840700000000, -0.0009871700000000 ] - [ -0.0003555200000000, -0.0057571800000000, -0.0009539600000000 ] - [ 0.0009779000000000, -0.0036693500000000, 0.0017438100000000 ] - [ 0.0053799600000000, 0.0046246200000000, 0.0020084500000000 ] - [ -0.0059460300000000, 0.0087290200000000, -0.0025319200000000 ] - [ 0.0003566000000000, -0.0013546600000000, 0.0008598300000000 ] - [ -0.0007503500000000, -0.0037870300000000, -0.0012025500000000 ] - [ 0.0028958700000000, 0.0016086600000000, -0.0010819400000000 ] - [ -0.0015620500000000, 0.0035466000000000, 0.0002568200000000 ] - [ 0.0013642300000000, -0.0012921500000000, 0.0011466800000000 ] - [ -0.0016995100000000, 0.0000995100000000, 0.0008880200000000 ] - [ -0.0010253000000000, 0.0003332200000000, -0.0048712300000000 ] - [ 0.0005906300000000, -0.0003133400000000, -0.0001017800000000 ] - [ 0.0002941900000000, -0.0002955500000000, -0.0006291800000000 ] - [ -0.0003191900000000, 0.0001404800000000, -0.0004431700000000 ] - [ -0.0002261600000000, 0.0002894700000000, -0.0004256300000000 ] - [ 0.0001867000000000, -0.0001648900000000, -0.0006778400000000 ] - [ -0.0002496500000000, 0.0005055400000000, -0.0010219500000000 ] - [ 0.0003716100000000, -0.0001548000000000, -0.0006281100000000 ] - [ 0.0005412200000000, -0.0003427100000000, -0.0001924900000000 ] - [ -0.0006055800000000, -0.0000977300000000, -0.0003949700000000 ] - [ -0.0060652900000000, 0.0144188000000000, 0.0080496700000000 ] - [ 0.0022762600000000, -0.0015502900000000, 0.0005201800000000 ] - [ 0.0033032900000000, -0.0034134900000000, 0.0024531400000000 ] - [ -0.0061073200000000, -0.0007331900000000, 0.0013171500000000 ] - [ 0.0256131200000000, -0.0913213100000000, -0.0268816000000000 ] - [ -0.0013157300000000, -0.0000703700000000, -0.0001675900000000 ] - [ -0.0010549400000000, 0.0020202300000000, -0.0000706000000000 ] - [ 0.0026231800000000, 0.0004450900000000, -0.0009371400000000 ] - [ -0.0012744700000000, 0.0006780100000000, -0.0008637600000000 ] - [ 0.0037671300000000, 0.0038417300000000, -0.0022250300000000 ] - [ 0.0053995700000000, 0.0003314300000000, 0.0053532300000000 ] - [ -0.0010559900000000, 0.0000122600000000, -0.0000266500000000 ] - [ -0.0029925600000000, 0.0010322700000000, -0.0043174100000000 ] - [ 0.0000540700000000, -0.0007906900000000, -0.0004957700000000 ] - [ -0.0052274100000000, 0.0066437500000000, 0.0098519500000000 ] - [ 0.0005151500000000, 0.0002307200000000, -0.0003463400000000 ] - [ 0.0004378700000000, 0.0172212500000000, 0.0016266300000000 ] - [ 0.0001787500000000, 0.0008016000000000, -0.0003563400000000 ] - [ -0.0109580300000000, 0.0031227500000000, -0.0045454100000000 ] - [ -0.0005932400000000, -0.0059152500000000, -0.0023697500000000 ] - [ 0.0044406000000000, -0.0030284200000000, -0.0007782600000000 ] - [ -0.0007157400000000, 0.0011410500000000, -0.0005221200000000 ] - [ -0.0027156800000000, 0.0013591100000000, -0.0007081300000000 ] - [ 0.0070496500000000, 0.0085765200000000, -0.0042834000000000 ] - [ -0.0007776700000000, 0.0017200400000000, -0.0003632700000000 ] - [ 0.0011828300000000, 0.0007467200000000, -0.0003249900000000 ] - [ -0.0034808500000000, -0.0051067200000000, 0.0096661300000000 ] - [ 0.0000176800000000, 0.0000205800000000, -0.0004241200000000 ] - [ 0.0000534000000000, -0.0000147800000000, -0.0002598300000000 ] - [ 0.0005669000000000, 0.0008936000000000, 0.0009139300000000 ] - [ -0.0012576100000000, -0.0002522900000000, 0.0010690100000000 ] - [ 0.0002482600000000, -0.0003974200000000, 0.0001221400000000 ] - [ -0.0001113400000000, -0.0002742200000000, 0.0005037700000000 ] - [ -0.0001453200000000, -0.0003027100000000, 0.0005172100000000 ] - [ -0.0001638700000000, -0.0000664600000000, 0.0003716500000000 ] - [ 0.0002129300000000, 0.0000326700000000, 0.0001883600000000 ] - [ 0.0002929400000000, -0.0003374900000000, 0.0005368300000000 ] - [ 0.0001391500000000, 0.0000552200000000, 0.0004001100000000 ] - [ -0.0001353400000000, 0.0003075000000000, 0.0001887500000000 ] - [ 0.0003355100000000, 0.0001102700000000, 0.0004679000000000 ] - [ -0.0000960500000000, -0.0007898300000000, 0.0006061300000000 ] - [ 0.0002335900000000, -0.0006369700000000, 0.0005072800000000 ] - [ -0.0003611500000000, 0.0004964100000000, -0.0001993500000000 ] - [ 0.0005307600000000, 0.0014519500000000, 0.0009086300000000 ] - [ 0.0010824900000000, -0.0013511900000000, 0.0005908100000000 ] - [ -0.0008295600000000, -0.0001837000000000, 0.0009228800000000 ] - [ -0.0007001500000000, 0.0012961300000000, 0.0005853600000000 ] - [ 0.0003326200000000, 0.0002458400000000, -0.0000980200000000 ] - [ 0.0000644800000000, -0.0000367600000000, 0.0003039700000000 ] - [ -0.0002792600000000, 0.0002191000000000, 0.0004462000000000 ] - [ -0.0003564000000000, 0.0001755700000000, 0.0004321200000000 ] - [ 0.0001504200000000, 0.0001270900000000, 0.0003905600000000 ] - [ -0.0004155700000000, 0.0002466700000000, 0.0009570400000000 ] - [ 0.0002500100000000, -0.0003854900000000, 0.0002388500000000 ] - [ 0.0002634100000000, 0.0001118600000000, -0.0002116100000000 ] - [ -0.0004898500000000, 0.0002894800000000, 0.0007552300000000 ] - [ -0.0015172900000000, 0.0019221500000000, 0.0002287500000000 ] - [ 0.0007025200000000, 0.0004575700000000, -0.0005367500000000 ] - [ -0.0022644500000000, -0.0047773000000000, -0.0047872300000000 ] - [ -0.0049267500000000, -0.0001728400000000, 0.0062618100000000 ] - [ -0.0007443100000000, 0.0012143400000000, -0.0009030100000000 ] - [ 0.0026030300000000, 0.0067379000000000, 0.0009562300000000 ] - [ 0.0052611100000000, -0.0012316800000000, -0.0012466700000000 ] - [ -0.0009047900000000, -0.0001669100000000, -0.0005833600000000 ] - [ -0.0003720700000000, 0.0003876400000000, 0.0002473900000000 ] - [ 0.0005811600000000, 0.0000955900000000, 0.0008504600000000 ] - [ 0.0006378300000000, -0.0005971900000000, 0.0002702900000000 ] - [ -0.0007622600000000, 0.0002341700000000, 0.0003901800000000 ] - [ -0.0002212400000000, -0.0001476600000000, 0.0007112700000000 ] - [ 0.0003553400000000, 0.0002045800000000, 0.0001624100000000 ] - [ -0.0001313200000000, 0.0001767300000000, -0.0002743800000000 ] - [ -0.0000186800000000, -0.0006120000000000, 0.0008005800000000 ] - [ -0.0026285000000000, 0.0002898300000000, 0.0024574100000000 ] - [ -0.0006654600000000, -0.0014516200000000, -0.0009119700000000 ] - [ -0.0002463200000000, 0.0009021100000000, -0.0008737100000000 ] - [ 0.0015618500000000, 0.0025506000000000, 0.0017463400000000 ]- atom: 49 displacement: [ 0.0049999999815361, -0.0086602540485045, 0.0000000000000000 ] forces: - [ -0.0050267900000000, 0.0032331000000000, -0.0024445200000000 ] - [ 0.0016326800000000, 0.0003744500000000, -0.0005055700000000 ] - [ 0.0092389400000000, -0.0295445700000000, -0.0071984500000000 ] - [ -0.0017694300000000, 0.0002726900000000, -0.0012560800000000 ] - [ 0.0052305100000000, -0.0152538200000000, 0.0043801400000000 ] - [ -0.0007996600000000, -0.0001294700000000, -0.0007875300000000 ] - [ -0.0041274200000000, 0.0027236700000000, -0.0001578700000000 ] - [ 0.0043838100000000, 0.0014795800000000, -0.0008007900000000 ] - [ 0.0001390800000000, -0.0009833600000000, 0.0005317400000000 ] - [ -0.0002537000000000, -0.0000809300000000, 0.0005057500000000 ] - [ -0.0007676000000000, 0.0007299200000000, 0.0009886300000000 ] - [ 0.0009022100000000, 0.0002889600000000, 0.0008227400000000 ] - [ 0.0000271800000000, 0.0001690800000000, 0.0001023800000000 ] - [ -0.0002200300000000, 0.0004045700000000, 0.0007679800000000 ] - [ -0.0001624600000000, -0.0003967300000000, 0.0009335900000000 ] - [ 0.0003263500000000, -0.0001732700000000, 0.0007094200000000 ] - [ -0.0009634800000000, 0.0009306800000000, 0.0018568900000000 ] - [ 0.0001055100000000, 0.0005742400000000, -0.0003601100000000 ] - [ -0.0008361400000000, -0.0002953800000000, -0.0005078600000000 ] - [ 0.0011326600000000, -0.0019288600000000, 0.0019310800000000 ] - [ -0.0015716600000000, 0.0021813500000000, 0.0012451800000000 ] - [ 0.0025445800000000, -0.0004397600000000, 0.0008909900000000 ] - [ 0.0003335900000000, 0.0007989200000000, -0.0045798300000000 ] - [ -0.0018943800000000, -0.0008537700000000, 0.0009111600000000 ] - [ 0.0003959200000000, 0.0057459100000000, 0.0010284200000000 ] - [ -0.0009685600000000, 0.0036178700000000, -0.0016942800000000 ] - [ -0.0053765200000000, -0.0045489200000000, -0.0019597300000000 ] - [ 0.0061757500000000, -0.0086811200000000, 0.0024378600000000 ] - [ -0.0003471700000000, 0.0013439300000000, -0.0008858500000000 ] - [ 0.0007336600000000, 0.0037471700000000, 0.0011589700000000 ] - [ -0.0028874400000000, -0.0015922100000000, 0.0010554000000000 ] - [ 0.0015569000000000, -0.0035209300000000, -0.0002727900000000 ] - [ -0.0013615800000000, 0.0012830700000000, -0.0011120800000000 ] - [ 0.0016839000000000, -0.0001033400000000, -0.0008463300000000 ] - [ 0.0010182500000000, -0.0002999800000000, 0.0048542600000000 ] - [ -0.0005875600000000, 0.0003158400000000, 0.0001286000000000 ] - [ -0.0002932200000000, 0.0002927300000000, 0.0005926600000000 ] - [ 0.0003163200000000, -0.0001398300000000, 0.0004074300000000 ] - [ 0.0002242600000000, -0.0002849500000000, 0.0003869600000000 ] - [ -0.0001844200000000, 0.0001668800000000, 0.0006383700000000 ] - [ 0.0002499800000000, -0.0005067900000000, 0.0010465400000000 ] - [ -0.0003692400000000, 0.0001498700000000, 0.0006518000000000 ] - [ -0.0005379400000000, 0.0003437700000000, 0.0002223500000000 ] - [ 0.0006029500000000, 0.0000998000000000, 0.0004216200000000 ] - [ 0.0058710100000000, -0.0147839200000000, -0.0084846000000000 ] - [ -0.0022458200000000, 0.0015271800000000, -0.0005499400000000 ] - [ -0.0032753400000000, 0.0033873800000000, -0.0024493600000000 ] - [ 0.0060631200000000, 0.0007424400000000, -0.0013127900000000 ] - [ -0.0248299900000000, 0.0896275200000000, 0.0258793400000000 ] - [ 0.0013257500000000, 0.0000126600000000, 0.0001476900000000 ] - [ 0.0010700300000000, -0.0020598800000000, 0.0000531600000000 ] - [ -0.0026041900000000, -0.0004868100000000, 0.0009182300000000 ] - [ 0.0012326800000000, -0.0007097400000000, 0.0008713700000000 ] - [ -0.0037667900000000, -0.0038606000000000, 0.0022117300000000 ] - [ -0.0053692800000000, -0.0003994000000000, -0.0052836300000000 ] - [ 0.0010068100000000, -0.0000613200000000, 0.0000463200000000 ] - [ 0.0030252200000000, -0.0010455800000000, 0.0043333800000000 ] - [ 0.0000025400000000, 0.0007739500000000, 0.0005028300000000 ] - [ 0.0052104500000000, -0.0065677000000000, -0.0096931700000000 ] - [ -0.0004522500000000, -0.0002445600000000, 0.0003622500000000 ] - [ -0.0005216900000000, -0.0175003300000000, -0.0016646200000000 ] - [ -0.0002332000000000, -0.0007745200000000, 0.0003389700000000 ] - [ 0.0107585900000000, -0.0030847900000000, 0.0044725000000000 ] - [ 0.0005590000000000, 0.0059036800000000, 0.0023477700000000 ] - [ -0.0043198400000000, 0.0031369900000000, 0.0007745900000000 ] - [ 0.0007278600000000, -0.0010229800000000, 0.0004738400000000 ] - [ 0.0027381300000000, -0.0013136700000000, 0.0006908500000000 ] - [ -0.0069160300000000, -0.0084362800000000, 0.0042073500000000 ] - [ 0.0007563600000000, -0.0016523500000000, 0.0003826500000000 ] - [ -0.0011860500000000, -0.0006762800000000, 0.0003344700000000 ] - [ 0.0034760100000000, 0.0050678200000000, -0.0096336800000000 ] - [ -0.0000345200000000, 0.0000297300000000, 0.0004347500000000 ] - [ -0.0000383000000000, -0.0000427500000000, 0.0003388500000000 ] - [ -0.0005416700000000, -0.0009410900000000, -0.0008249200000000 ] - [ 0.0012649400000000, 0.0001884600000000, -0.0009837100000000 ] - [ -0.0002302500000000, 0.0003362800000000, -0.0000417300000000 ] - [ 0.0000820800000000, 0.0002389000000000, -0.0005250800000000 ] - [ 0.0001159900000000, 0.0002670300000000, -0.0005389400000000 ] - [ 0.0001357200000000, 0.0000292300000000, -0.0003926700000000 ] - [ -0.0002399200000000, -0.0000681600000000, -0.0002116600000000 ] - [ -0.0002480200000000, 0.0003291100000000, -0.0005588000000000 ] - [ -0.0000932900000000, -0.0000614800000000, -0.0004213700000000 ] - [ 0.0001786800000000, -0.0003134300000000, -0.0002116700000000 ] - [ -0.0002883100000000, -0.0001169000000000, -0.0004886600000000 ] - [ 0.0000382300000000, 0.0008005700000000, -0.0005249900000000 ] - [ -0.0002872100000000, 0.0006500700000000, -0.0004239800000000 ] - [ 0.0003009500000000, -0.0004783200000000, 0.0002786700000000 ] - [ -0.0005825900000000, -0.0014321300000000, -0.0008221000000000 ] - [ -0.0010313500000000, 0.0013827800000000, -0.0005083300000000 ] - [ 0.0008707000000000, 0.0002236400000000, -0.0008430000000000 ] - [ 0.0007397000000000, -0.0012442500000000, -0.0004984300000000 ] - [ -0.0002908200000000, -0.0002008400000000, 0.0001776500000000 ] - [ -0.0000808500000000, 0.0000786900000000, -0.0003259500000000 ] - [ 0.0002622100000000, -0.0001751400000000, -0.0004676200000000 ] - [ 0.0003373000000000, -0.0001345200000000, -0.0004543900000000 ] - [ -0.0001662200000000, -0.0000854200000000, -0.0004128000000000 ] - [ 0.0004310200000000, -0.0002804400000000, -0.0009255400000000 ] - [ -0.0002336200000000, 0.0003452700000000, -0.0002097700000000 ] - [ -0.0002438300000000, -0.0001560100000000, 0.0002378000000000 ] - [ 0.0005034400000000, -0.0003316900000000, -0.0007249800000000 ] - [ 0.0014654000000000, -0.0019488800000000, -0.0003172400000000 ] - [ -0.0007361400000000, -0.0004920600000000, 0.0004503000000000 ] - [ 0.0022353100000000, 0.0047144100000000, 0.0047111100000000 ] - [ 0.0048210600000000, 0.0001107000000000, -0.0062565500000000 ] - [ 0.0007976000000000, -0.0012125500000000, 0.0008150600000000 ] - [ -0.0025159300000000, -0.0066781700000000, -0.0010225600000000 ] - [ -0.0052087600000000, 0.0011730200000000, 0.0011813600000000 ] - [ 0.0009564800000000, 0.0001382600000000, 0.0004990700000000 ] - [ 0.0003264800000000, -0.0003784500000000, -0.0002221400000000 ] - [ -0.0006217200000000, -0.0000873700000000, -0.0008184000000000 ] - [ -0.0006729000000000, 0.0006011000000000, -0.0002375800000000 ] - [ 0.0007178400000000, -0.0002272500000000, -0.0003588700000000 ] - [ 0.0002477600000000, 0.0001831500000000, -0.0006828400000000 ] - [ -0.0003238600000000, -0.0001675800000000, -0.0001355600000000 ] - [ 0.0001597700000000, -0.0001462300000000, 0.0003051600000000 ] - [ 0.0000457400000000, 0.0006365400000000, -0.0007633500000000 ] - [ 0.0026204100000000, -0.0002246600000000, -0.0025517400000000 ] - [ 0.0006454100000000, 0.0014975800000000, 0.0008265300000000 ] - [ 0.0002321500000000, -0.0008395400000000, 0.0007820000000000 ] - [ -0.0015739900000000, -0.0024981800000000, -0.0018471800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0010508200000000, 0.0009128400000000, 0.0035579900000000 ] - [ 0.0005610000000000, 0.0001301100000000, 0.0036300200000000 ] - [ -0.0020745200000000, 0.0071449600000000, 0.0144691600000000 ] - [ 0.0008980700000000, -0.0000391600000000, 0.0024381600000000 ] - [ 0.0026806400000000, 0.0039510600000000, 0.0162184200000000 ] - [ 0.0005690100000000, -0.0001365900000000, 0.0023227100000000 ] - [ 0.0017135000000000, -0.0007025100000000, 0.0019249100000000 ] - [ -0.0026733700000000, -0.0012808500000000, 0.0028656600000000 ] - [ 0.0000334400000000, 0.0006741900000000, -0.0027803900000000 ] - [ -0.0000344700000000, 0.0000344200000000, -0.0015790500000000 ] - [ 0.0005972100000000, -0.0004375400000000, -0.0017738700000000 ] - [ -0.0006115500000000, -0.0002145700000000, -0.0018981000000000 ] - [ 0.0000859300000000, -0.0000114600000000, -0.0016588600000000 ] - [ 0.0000580200000000, -0.0002447000000000, -0.0020990300000000 ] - [ 0.0000473400000000, 0.0001976000000000, -0.0023045400000000 ] - [ -0.0002025300000000, 0.0000594200000000, -0.0022082300000000 ] - [ 0.0020702400000000, -0.0024413000000000, -0.0031879200000000 ] - [ -0.0001984000000000, 0.0000089700000000, -0.0003058700000000 ] - [ -0.0019746600000000, 0.0003988300000000, -0.0016618100000000 ] - [ 0.0010592400000000, 0.0003847200000000, -0.0032474500000000 ] - [ 0.0017452700000000, -0.0024056000000000, -0.0012634000000000 ] - [ -0.0044352200000000, 0.0006246900000000, -0.0020062400000000 ] - [ -0.0008229100000000, 0.0038231100000000, -0.0040336500000000 ] - [ 0.0009575500000000, 0.0003233900000000, -0.0007666800000000 ] - [ 0.0031413400000000, -0.0030602500000000, 0.0048974000000000 ] - [ 0.0001114300000000, -0.0010664200000000, 0.0019574600000000 ] - [ -0.0021418200000000, 0.0008921500000000, 0.0042504900000000 ] - [ 0.0017721900000000, 0.0008431900000000, 0.0065045600000000 ] - [ -0.0007652600000000, 0.0017707700000000, -0.0005037600000000 ] - [ -0.0000822300000000, -0.0017447000000000, -0.0001119300000000 ] - [ 0.0052547900000000, 0.0007529000000000, -0.0017685000000000 ] - [ -0.0044850500000000, -0.0003082600000000, -0.0032539500000000 ] - [ -0.0014166100000000, 0.0020265800000000, -0.0014540400000000 ] - [ 0.0017966300000000, 0.0002379600000000, -0.0015596400000000 ] - [ -0.0008511400000000, -0.0034075200000000, -0.0047894700000000 ] - [ 0.0001962500000000, -0.0003660400000000, 0.0000557200000000 ] - [ 0.0004049200000000, -0.0002811900000000, -0.0016177300000000 ] - [ -0.0005478900000000, -0.0000163200000000, -0.0016813300000000 ] - [ -0.0000948900000000, 0.0004169000000000, -0.0018963100000000 ] - [ 0.0001720600000000, -0.0000568000000000, -0.0015693700000000 ] - [ 0.0000660000000000, 0.0001066400000000, -0.0026554100000000 ] - [ 0.0001528300000000, -0.0000783200000000, -0.0013445800000000 ] - [ 0.0000829000000000, 0.0000959000000000, -0.0011443800000000 ] - [ -0.0002287800000000, -0.0000795600000000, -0.0015158600000000 ] - [ 0.0013079300000000, 0.0023705400000000, 0.0304268300000000 ] - [ 0.0010217000000000, -0.0008855100000000, 0.0008850900000000 ] - [ 0.0010103300000000, -0.0006179500000000, 0.0018320700000000 ] - [ -0.0019146200000000, 0.0014361200000000, 0.0025215200000000 ] - [ 0.0131942800000000, -0.0224671500000000, -0.0776635600000000 ] - [ 0.0002589600000000, -0.0000642800000000, -0.0010827000000000 ] - [ 0.0000595600000000, -0.0000702500000000, -0.0011761300000000 ] - [ 0.0008888100000000, -0.0005921700000000, -0.0025280800000000 ] - [ 0.0004207600000000, 0.0003038200000000, -0.0010664000000000 ] - [ -0.0073815500000000, -0.0071061500000000, 0.0028189300000000 ] - [ 0.0028360700000000, 0.0033418900000000, 0.0033809600000000 ] - [ -0.0006684200000000, 0.0007667800000000, -0.0009237900000000 ] - [ 0.0053721300000000, -0.0036510300000000, 0.0033950600000000 ] - [ -0.0008440400000000, -0.0006659000000000, -0.0010657100000000 ] - [ -0.0021777800000000, 0.0027215200000000, 0.0027732600000000 ] - [ -0.0000104600000000, -0.0002214800000000, -0.0009236300000000 ] - [ -0.0007968900000000, -0.0024877200000000, -0.0079596900000000 ] - [ -0.0007313900000000, 0.0003860400000000, -0.0012531300000000 ] - [ -0.0042631900000000, -0.0001068000000000, -0.0042752200000000 ] - [ -0.0005266200000000, -0.0035339400000000, -0.0021079600000000 ] - [ -0.0008273500000000, -0.0013348400000000, -0.0079613800000000 ] - [ -0.0008025400000000, 0.0032358300000000, -0.0021117700000000 ] - [ -0.0011136600000000, 0.0010755300000000, -0.0012494200000000 ] - [ 0.0035950900000000, 0.0031469200000000, -0.0042768600000000 ] - [ 0.0000881300000000, -0.0003529800000000, -0.0007858700000000 ] - [ -0.0002335500000000, -0.0004840100000000, -0.0008994900000000 ] - [ -0.0104134000000000, 0.0052554800000000, 0.0151756100000000 ] - [ 0.0008148200000000, 0.0000046000000000, -0.0010666900000000 ] - [ -0.0001820800000000, -0.0004005000000000, 0.0009721800000000 ] - [ -0.0005640600000000, 0.0004964300000000, 0.0009953000000000 ] - [ -0.0013934500000000, 0.0002535200000000, 0.0015231200000000 ] - [ 0.0005667200000000, 0.0005539700000000, 0.0014002600000000 ] - [ -0.0003624100000000, -0.0004482000000000, 0.0014985100000000 ] - [ -0.0000155000000000, -0.0005697700000000, 0.0012244300000000 ] - [ -0.0000711000000000, -0.0004593400000000, 0.0011343000000000 ] - [ -0.0000045900000000, -0.0002550600000000, 0.0010329900000000 ] - [ 0.0005362800000000, -0.0001623300000000, 0.0014983600000000 ] - [ 0.0004050600000000, 0.0001420000000000, 0.0011349200000000 ] - [ 0.0002222200000000, 0.0002443900000000, 0.0010327400000000 ] - [ 0.0005503700000000, 0.0002299500000000, 0.0012243400000000 ] - [ -0.0003202800000000, -0.0003482300000000, 0.0014681400000000 ] - [ 0.0006691100000000, -0.0002888700000000, 0.0012878100000000 ] - [ 0.0001209100000000, -0.0001869400000000, 0.0009031000000000 ] - [ 0.0007535700000000, 0.0018011100000000, 0.0012561300000000 ] - [ 0.0007453800000000, -0.0006887200000000, 0.0016125600000000 ] - [ -0.0013078600000000, -0.0001772400000000, 0.0019171100000000 ] - [ 0.0001405200000000, -0.0004819500000000, 0.0009434400000000 ] - [ 0.0002094400000000, -0.0003592300000000, 0.0007540000000000 ] - [ -0.0001421800000000, 0.0003066400000000, 0.0013622700000000 ] - [ -0.0004063800000000, 0.0003188200000000, 0.0011439700000000 ] - [ -0.0004217300000000, 0.0002953100000000, 0.0011406200000000 ] - [ -0.0002624200000000, 0.0003380400000000, 0.0012652100000000 ] - [ -0.0007155900000000, 0.0007476000000000, 0.0014943100000000 ] - [ 0.0001948500000000, 0.0001833200000000, 0.0013714300000000 ] - [ -0.0000277700000000, -0.0003858000000000, 0.0009462700000000 ] - [ -0.0004504700000000, 0.0007158300000000, 0.0009739100000000 ] - [ -0.0012063900000000, 0.0012842800000000, -0.0005931400000000 ] - [ 0.0010550800000000, 0.0003458600000000, -0.0005729300000000 ] - [ 0.0053915400000000, -0.0017590800000000, 0.0028612400000000 ] - [ -0.0021344700000000, 0.0000276700000000, 0.0023163600000000 ] - [ -0.0004622300000000, 0.0005231700000000, -0.0005720700000000 ] - [ 0.0062629900000000, 0.0153165800000000, 0.0022488700000000 ] - [ -0.0046863100000000, -0.0031105100000000, 0.0028645500000000 ] - [ 0.0002979400000000, -0.0005573300000000, -0.0005929700000000 ] - [ -0.0001580800000000, 0.0003323900000000, 0.0007284400000000 ] - [ 0.0008599900000000, 0.0003216200000000, 0.0018844000000000 ] - [ 0.0005307000000000, -0.0001869200000000, 0.0015868700000000 ] - [ 0.0005175000000000, 0.0000084600000000, 0.0009229300000000 ] - [ -0.0005819600000000, -0.0001763200000000, 0.0012599900000000 ] - [ 0.0005393200000000, -0.0000118400000000, 0.0008762800000000 ] - [ 0.0001298400000000, -0.0007022400000000, 0.0014406000000000 ] - [ -0.0004887900000000, -0.0006936100000000, 0.0012352500000000 ] - [ -0.0050280200000000, -0.0000009900000000, 0.0013206900000000 ] - [ 0.0008251700000000, -0.0004892000000000, -0.0009501900000000 ] - [ 0.0002870100000000, -0.0007561700000000, -0.0006395200000000 ] - [ -0.0001162000000000, 0.0020348300000000, -0.0004205500000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0010441800000000, -0.0009180100000000, -0.0034531800000000 ] - [ -0.0005564700000000, -0.0001360100000000, -0.0035340200000000 ] - [ 0.0019346500000000, -0.0067817800000000, -0.0143096300000000 ] - [ -0.0008898700000000, 0.0000407000000000, -0.0023481200000000 ] - [ -0.0029299400000000, -0.0046211500000000, -0.0156235500000000 ] - [ -0.0005589700000000, 0.0001403100000000, -0.0023744400000000 ] - [ -0.0017224500000000, 0.0007035700000000, -0.0019875200000000 ] - [ 0.0026750500000000, 0.0012810800000000, -0.0029158600000000 ] - [ -0.0000345100000000, -0.0006740900000000, 0.0028399000000000 ] - [ 0.0000335000000000, -0.0000330200000000, 0.0016439400000000 ] - [ -0.0005951500000000, 0.0004339300000000, 0.0018403600000000 ] - [ 0.0006103000000000, 0.0002144600000000, 0.0019618400000000 ] - [ -0.0000863700000000, 0.0000154000000000, 0.0015897900000000 ] - [ -0.0000566400000000, 0.0002437000000000, 0.0020286500000000 ] - [ -0.0000453900000000, -0.0001974500000000, 0.0022303800000000 ] - [ 0.0002027700000000, -0.0000613900000000, 0.0021366400000000 ] - [ -0.0020765400000000, 0.0024585100000000, 0.0032541900000000 ] - [ 0.0001982000000000, -0.0000104100000000, 0.0003630200000000 ] - [ 0.0019853500000000, -0.0004030300000000, 0.0017224900000000 ] - [ -0.0010905000000000, -0.0003925800000000, 0.0032982300000000 ] - [ -0.0017585600000000, 0.0024094500000000, 0.0011903900000000 ] - [ 0.0044547300000000, -0.0006266300000000, 0.0019349000000000 ] - [ 0.0008253700000000, -0.0038363900000000, 0.0039670100000000 ] - [ -0.0009403500000000, -0.0002971900000000, 0.0006789600000000 ] - [ -0.0031537500000000, 0.0030677600000000, -0.0048939300000000 ] - [ -0.0001126200000000, 0.0010672300000000, -0.0019384800000000 ] - [ 0.0021110100000000, -0.0008936700000000, -0.0042512200000000 ] - [ -0.0016683900000000, -0.0008568200000000, -0.0065815800000000 ] - [ 0.0007584100000000, -0.0017566600000000, 0.0004767000000000 ] - [ 0.0000898600000000, 0.0017510600000000, 0.0000967700000000 ] - [ -0.0052187500000000, -0.0007495000000000, 0.0017344400000000 ] - [ 0.0044572600000000, 0.0002952400000000, 0.0032046400000000 ] - [ 0.0014015100000000, -0.0020100800000000, 0.0014803700000000 ] - [ -0.0017809800000000, -0.0002348700000000, 0.0015857400000000 ] - [ 0.0008436800000000, 0.0033705000000000, 0.0048148700000000 ] - [ -0.0001961100000000, 0.0003635500000000, -0.0000207300000000 ] - [ -0.0004093400000000, 0.0002816200000000, 0.0015824200000000 ] - [ 0.0005503800000000, 0.0000184800000000, 0.0016468300000000 ] - [ 0.0000936500000000, -0.0004173400000000, 0.0018588300000000 ] - [ -0.0001711800000000, 0.0000583300000000, 0.0015290600000000 ] - [ -0.0000669100000000, -0.0001105400000000, 0.0026940600000000 ] - [ -0.0001509100000000, 0.0000729900000000, 0.0013667000000000 ] - [ -0.0000801100000000, -0.0000955200000000, 0.0011706100000000 ] - [ 0.0002269900000000, 0.0000827500000000, 0.0015425200000000 ] - [ -0.0017071100000000, -0.0033437100000000, -0.0314633900000000 ] - [ -0.0009953900000000, 0.0008622400000000, -0.0009140600000000 ] - [ -0.0010149400000000, 0.0006264800000000, -0.0018726800000000 ] - [ 0.0019183400000000, -0.0014207000000000, -0.0025715000000000 ] - [ -0.0123174000000000, 0.0237102900000000, 0.0779235900000000 ] - [ -0.0002466300000000, 0.0000082200000000, 0.0010599900000000 ] - [ -0.0000421000000000, 0.0000135900000000, 0.0011600000000000 ] - [ -0.0008714400000000, 0.0005342000000000, 0.0025140600000000 ] - [ -0.0004546300000000, -0.0003436800000000, 0.0010681100000000 ] - [ 0.0072713900000000, 0.0070021400000000, -0.0027662900000000 ] - [ -0.0028776800000000, -0.0033481800000000, -0.0033691800000000 ] - [ 0.0006276200000000, -0.0007999000000000, 0.0009290500000000 ] - [ -0.0052648500000000, 0.0036069000000000, -0.0033552700000000 ] - [ 0.0008910900000000, 0.0006458300000000, 0.0010689200000000 ] - [ 0.0022585900000000, -0.0027661600000000, -0.0028110500000000 ] - [ 0.0000622600000000, 0.0002056100000000, 0.0009292200000000 ] - [ 0.0007563700000000, 0.0025805200000000, 0.0079543300000000 ] - [ 0.0006677900000000, -0.0003672000000000, 0.0012293100000000 ] - [ 0.0042273400000000, 0.0001000600000000, 0.0042635100000000 ] - [ 0.0004695700000000, 0.0035180000000000, 0.0020741300000000 ] - [ 0.0009228400000000, 0.0014540700000000, 0.0079528200000000 ] - [ 0.0008297100000000, -0.0031537100000000, 0.0020703300000000 ] - [ 0.0011566100000000, -0.0010384900000000, 0.0012332100000000 ] - [ -0.0035620300000000, -0.0031335600000000, 0.0042618000000000 ] - [ -0.0000991900000000, 0.0004002200000000, 0.0007900400000000 ] - [ 0.0002117300000000, 0.0005343100000000, 0.0009025000000000 ] - [ 0.0102402300000000, -0.0051079300000000, -0.0149871400000000 ] - [ -0.0008269500000000, 0.0000482800000000, 0.0010720900000000 ] - [ 0.0002000400000000, 0.0003393800000000, -0.0008924500000000 ] - [ 0.0005739000000000, -0.0005556700000000, -0.0009195300000000 ] - [ 0.0014048100000000, -0.0003044900000000, -0.0014386500000000 ] - [ -0.0005473200000000, -0.0006071700000000, -0.0013176200000000 ] - [ 0.0003366100000000, 0.0004133600000000, -0.0015236700000000 ] - [ -0.0000153100000000, 0.0005347200000000, -0.0012474400000000 ] - [ 0.0000418000000000, 0.0004241100000000, -0.0011573700000000 ] - [ -0.0000234900000000, 0.0002183800000000, -0.0010567500000000 ] - [ -0.0004926900000000, 0.0001573500000000, -0.0015237800000000 ] - [ -0.0003594300000000, -0.0001480000000000, -0.0011567500000000 ] - [ -0.0001777300000000, -0.0002524100000000, -0.0010568000000000 ] - [ -0.0005058400000000, -0.0002387800000000, -0.0012475100000000 ] - [ 0.0002594800000000, 0.0003608900000000, -0.0013856400000000 ] - [ -0.0007247500000000, 0.0003014500000000, -0.0012074000000000 ] - [ -0.0001769000000000, 0.0001997500000000, -0.0008216900000000 ] - [ -0.0008101500000000, -0.0017764100000000, -0.0011776300000000 ] - [ -0.0007019000000000, 0.0007329200000000, -0.0015306700000000 ] - [ 0.0013410700000000, 0.0002200700000000, -0.0018285000000000 ] - [ -0.0000952500000000, 0.0005188900000000, -0.0008685300000000 ] - [ -0.0001662100000000, 0.0003995200000000, -0.0006751900000000 ] - [ 0.0001244100000000, -0.0002671900000000, -0.0013880500000000 ] - [ 0.0003910700000000, -0.0002762100000000, -0.0011671800000000 ] - [ 0.0004030100000000, -0.0002524800000000, -0.0011632500000000 ] - [ 0.0002465800000000, -0.0002960200000000, -0.0012891600000000 ] - [ 0.0007349400000000, -0.0007850000000000, -0.0014673400000000 ] - [ -0.0001824300000000, -0.0002235000000000, -0.0013463700000000 ] - [ 0.0000437600000000, 0.0003470500000000, -0.0009182400000000 ] - [ 0.0004644300000000, -0.0007634800000000, -0.0009408300000000 ] - [ 0.0011677400000000, -0.0013363200000000, 0.0005198200000000 ] - [ -0.0011009500000000, -0.0003932400000000, 0.0004995000000000 ] - [ -0.0054881300000000, 0.0017178800000000, -0.0029655900000000 ] - [ 0.0020102500000000, -0.0000803500000000, -0.0022876000000000 ] - [ 0.0005247800000000, -0.0005356500000000, 0.0005005000000000 ] - [ -0.0062554400000000, -0.0154447000000000, -0.0023553900000000 ] - [ 0.0048129700000000, 0.0031384100000000, -0.0029621700000000 ] - [ -0.0002481100000000, 0.0005426900000000, 0.0005198900000000 ] - [ 0.0001177000000000, -0.0003265700000000, -0.0007008900000000 ] - [ -0.0009056000000000, -0.0003166100000000, -0.0018611800000000 ] - [ -0.0005683400000000, 0.0001950300000000, -0.0015565300000000 ] - [ -0.0005661000000000, 0.0000007600000000, -0.0008890400000000 ] - [ 0.0006129400000000, 0.0002089200000000, -0.0012352900000000 ] - [ -0.0005149900000000, 0.0000448000000000, -0.0008485000000000 ] - [ -0.0001013800000000, 0.0007372600000000, -0.0014130800000000 ] - [ 0.0005212500000000, 0.0007214300000000, -0.0011983900000000 ] - [ 0.0050719700000000, 0.0000459800000000, -0.0014285000000000 ] - [ -0.0008527400000000, 0.0005493000000000, 0.0008814100000000 ] - [ -0.0003038600000000, 0.0008143100000000, 0.0005661200000000 ] - [ 0.0001023400000000, -0.0019885800000000, 0.0003494400000000 ]